Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:53:37 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: ./SrMoO3.save/ file Mo.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 40 24 7 1160 555 93 Max 41 25 8 1165 567 96 Sum 1457 885 277 41851 20197 3407 bravais-lattice index = 14 lattice parameter (alat) = 7.5080 a.u. unit-cell volume = 423.2228 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 42.00 number of Kohn-Sham states= 50 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.507978 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.000000 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 1.000000 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Mo read from file: /users/gautes/Pseudo/Mo.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 20113fa3d0a6ce27e798500ceb8a7ae4 Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1229 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Sr read from file: /users/gautes/Pseudo/Sr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 971034ad0a3914f6282d12395b0824f8 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1221 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Mo 14.00 95.94000 Mo( 1.00) Sr 10.00 87.62000 Sr( 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= 307 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 2) = ( 0.0000000 0.0125000 -0.0000000), wk = 0.0032573 k( 3) = ( 0.0000000 0.0250000 -0.0000000), wk = 0.0032573 k( 4) = ( 0.0000000 0.0375000 -0.0000000), wk = 0.0032573 k( 5) = ( 0.0000000 0.0500000 -0.0000000), wk = 0.0032573 k( 6) = ( 0.0000000 0.0625000 -0.0000000), wk = 0.0032573 k( 7) = ( 0.0000000 0.0750000 -0.0000000), wk = 0.0032573 k( 8) = ( 0.0000000 0.0875000 -0.0000000), wk = 0.0032573 k( 9) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0032573 k( 10) = ( 0.0000000 0.1125000 -0.0000000), wk = 0.0032573 k( 11) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0032573 k( 12) = ( 0.0000000 0.1375000 -0.0000000), wk = 0.0032573 k( 13) = ( 0.0000000 0.1500000 -0.0000000), wk = 0.0032573 k( 14) = ( 0.0000000 0.1625000 -0.0000000), wk = 0.0032573 k( 15) = ( 0.0000000 0.1750000 -0.0000000), wk = 0.0032573 k( 16) = ( 0.0000000 0.1875000 -0.0000000), wk = 0.0032573 k( 17) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0032573 k( 18) = ( 0.0000000 0.2125000 -0.0000000), wk = 0.0032573 k( 19) = ( 0.0000000 0.2250000 -0.0000000), wk = 0.0032573 k( 20) = ( 0.0000000 0.2375000 -0.0000000), wk = 0.0032573 k( 21) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0032573 k( 22) = ( 0.0000000 0.2625000 -0.0000000), wk = 0.0032573 k( 23) = ( 0.0000000 0.2750000 -0.0000000), wk = 0.0032573 k( 24) = ( 0.0000000 0.2875000 -0.0000000), wk = 0.0032573 k( 25) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0032573 k( 26) = ( 0.0000000 0.3125000 -0.0000000), wk = 0.0032573 k( 27) = ( 0.0000000 0.3250000 -0.0000000), wk = 0.0032573 k( 28) = ( 0.0000000 0.3375000 -0.0000000), wk = 0.0032573 k( 29) = ( 0.0000000 0.3500000 -0.0000000), wk = 0.0032573 k( 30) = ( 0.0000000 0.3625000 -0.0000000), wk = 0.0032573 k( 31) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0032573 k( 32) = ( 0.0000000 0.3875000 -0.0000000), wk = 0.0032573 k( 33) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0032573 k( 34) = ( 0.0000000 0.4125000 -0.0000000), wk = 0.0032573 k( 35) = ( 0.0000000 0.4250000 -0.0000000), wk = 0.0032573 k( 36) = ( 0.0000000 0.4375000 -0.0000000), wk = 0.0032573 k( 37) = ( 0.0000000 0.4500000 -0.0000000), wk = 0.0032573 k( 38) = ( 0.0000000 0.4625000 -0.0000000), wk = 0.0032573 k( 39) = ( 0.0000000 0.4750000 -0.0000000), wk = 0.0032573 k( 40) = ( 0.0000000 0.4875000 -0.0000000), wk = 0.0032573 k( 41) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032573 k( 42) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032573 k( 43) = ( 0.0125000 0.5000000 -0.0000000), wk = 0.0032573 k( 44) = ( 0.0250000 0.5000000 -0.0000000), wk = 0.0032573 k( 45) = ( 0.0375000 0.5000000 -0.0000000), wk = 0.0032573 k( 46) = ( 0.0500000 0.5000000 -0.0000000), wk = 0.0032573 k( 47) = ( 0.0625000 0.5000000 -0.0000000), wk = 0.0032573 k( 48) = ( 0.0750000 0.5000000 -0.0000000), wk = 0.0032573 k( 49) = ( 0.0875000 0.5000000 -0.0000000), wk = 0.0032573 k( 50) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0032573 k( 51) = ( 0.1125000 0.5000000 -0.0000000), wk = 0.0032573 k( 52) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0032573 k( 53) = ( 0.1375000 0.5000000 -0.0000000), wk = 0.0032573 k( 54) = ( 0.1500000 0.5000000 -0.0000000), wk = 0.0032573 k( 55) = ( 0.1625000 0.5000000 -0.0000000), wk = 0.0032573 k( 56) = ( 0.1750000 0.5000000 -0.0000000), wk = 0.0032573 k( 57) = ( 0.1875000 0.5000000 -0.0000000), wk = 0.0032573 k( 58) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0032573 k( 59) = ( 0.2125000 0.5000000 -0.0000000), wk = 0.0032573 k( 60) = ( 0.2250000 0.5000000 -0.0000000), wk = 0.0032573 k( 61) = ( 0.2375000 0.5000000 -0.0000000), wk = 0.0032573 k( 62) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0032573 k( 63) = ( 0.2625000 0.5000000 -0.0000000), wk = 0.0032573 k( 64) = ( 0.2750000 0.5000000 -0.0000000), wk = 0.0032573 k( 65) = ( 0.2875000 0.5000000 -0.0000000), wk = 0.0032573 k( 66) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0032573 k( 67) = ( 0.3125000 0.5000000 -0.0000000), wk = 0.0032573 k( 68) = ( 0.3250000 0.5000000 -0.0000000), wk = 0.0032573 k( 69) = ( 0.3375000 0.5000000 -0.0000000), wk = 0.0032573 k( 70) = ( 0.3500000 0.5000000 -0.0000000), wk = 0.0032573 k( 71) = ( 0.3625000 0.5000000 -0.0000000), wk = 0.0032573 k( 72) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0032573 k( 73) = ( 0.3875000 0.5000000 -0.0000000), wk = 0.0032573 k( 74) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0032573 k( 75) = ( 0.4125000 0.5000000 -0.0000000), wk = 0.0032573 k( 76) = ( 0.4250000 0.5000000 -0.0000000), wk = 0.0032573 k( 77) = ( 0.4375000 0.5000000 -0.0000000), wk = 0.0032573 k( 78) = ( 0.4500000 0.5000000 -0.0000000), wk = 0.0032573 k( 79) = ( 0.4625000 0.5000000 -0.0000000), wk = 0.0032573 k( 80) = ( 0.4750000 0.5000000 -0.0000000), wk = 0.0032573 k( 81) = ( 0.4875000 0.5000000 -0.0000000), wk = 0.0032573 k( 82) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032573 k( 83) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032573 k( 84) = ( 0.4910714 0.4910714 -0.0000000), wk = 0.0032573 k( 85) = ( 0.4821429 0.4821429 -0.0000000), wk = 0.0032573 k( 86) = ( 0.4732143 0.4732143 -0.0000000), wk = 0.0032573 k( 87) = ( 0.4642857 0.4642857 -0.0000000), wk = 0.0032573 k( 88) = ( 0.4553571 0.4553571 -0.0000000), wk = 0.0032573 k( 89) = ( 0.4464286 0.4464286 -0.0000000), wk = 0.0032573 k( 90) = ( 0.4375000 0.4375000 -0.0000000), wk = 0.0032573 k( 91) = ( 0.4285714 0.4285714 -0.0000000), wk = 0.0032573 k( 92) = ( 0.4196429 0.4196429 -0.0000000), wk = 0.0032573 k( 93) = ( 0.4107143 0.4107143 -0.0000000), wk = 0.0032573 k( 94) = ( 0.4017857 0.4017857 -0.0000000), wk = 0.0032573 k( 95) = ( 0.3928571 0.3928571 -0.0000000), wk = 0.0032573 k( 96) = ( 0.3839286 0.3839286 -0.0000000), wk = 0.0032573 k( 97) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0032573 k( 98) = ( 0.3660714 0.3660714 -0.0000000), wk = 0.0032573 k( 99) = ( 0.3571429 0.3571429 -0.0000000), wk = 0.0032573 k( 100) = ( 0.3482143 0.3482143 -0.0000000), wk = 0.0032573 k( 101) = ( 0.3392857 0.3392857 -0.0000000), wk = 0.0032573 k( 102) = ( 0.3303571 0.3303571 -0.0000000), wk = 0.0032573 k( 103) = ( 0.3214286 0.3214286 -0.0000000), wk = 0.0032573 k( 104) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0032573 k( 105) = ( 0.3035714 0.3035714 -0.0000000), wk = 0.0032573 k( 106) = ( 0.2946429 0.2946429 -0.0000000), wk = 0.0032573 k( 107) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0032573 k( 108) = ( 0.2767857 0.2767857 -0.0000000), wk = 0.0032573 k( 109) = ( 0.2678571 0.2678571 -0.0000000), wk = 0.0032573 k( 110) = ( 0.2589286 0.2589286 -0.0000000), wk = 0.0032573 k( 111) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0032573 k( 112) = ( 0.2410714 0.2410714 -0.0000000), wk = 0.0032573 k( 113) = ( 0.2321429 0.2321429 -0.0000000), wk = 0.0032573 k( 114) = ( 0.2232143 0.2232143 -0.0000000), wk = 0.0032573 k( 115) = ( 0.2142857 0.2142857 -0.0000000), wk = 0.0032573 k( 116) = ( 0.2053571 0.2053571 -0.0000000), wk = 0.0032573 k( 117) = ( 0.1964286 0.1964286 -0.0000000), wk = 0.0032573 k( 118) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0032573 k( 119) = ( 0.1785714 0.1785714 -0.0000000), wk = 0.0032573 k( 120) = ( 0.1696429 0.1696429 -0.0000000), wk = 0.0032573 k( 121) = ( 0.1607143 0.1607143 -0.0000000), wk = 0.0032573 k( 122) = ( 0.1517857 0.1517857 -0.0000000), wk = 0.0032573 k( 123) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0032573 k( 124) = ( 0.1339286 0.1339286 -0.0000000), wk = 0.0032573 k( 125) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0032573 k( 126) = ( 0.1160714 0.1160714 -0.0000000), wk = 0.0032573 k( 127) = ( 0.1071429 0.1071429 -0.0000000), wk = 0.0032573 k( 128) = ( 0.0982143 0.0982143 -0.0000000), wk = 0.0032573 k( 129) = ( 0.0892857 0.0892857 -0.0000000), wk = 0.0032573 k( 130) = ( 0.0803571 0.0803571 -0.0000000), wk = 0.0032573 k( 131) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0032573 k( 132) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0032573 k( 133) = ( 0.0535714 0.0535714 -0.0000000), wk = 0.0032573 k( 134) = ( 0.0446429 0.0446429 -0.0000000), wk = 0.0032573 k( 135) = ( 0.0357143 0.0357143 -0.0000000), wk = 0.0032573 k( 136) = ( 0.0267857 0.0267857 -0.0000000), wk = 0.0032573 k( 137) = ( 0.0178571 0.0178571 -0.0000000), wk = 0.0032573 k( 138) = ( 0.0089286 0.0089286 -0.0000000), wk = 0.0032573 k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 141) = ( 0.0072464 0.0072464 0.0072464), wk = 0.0032573 k( 142) = ( 0.0144928 0.0144927 0.0144927), wk = 0.0032573 k( 143) = ( 0.0217391 0.0217391 0.0217391), wk = 0.0032573 k( 144) = ( 0.0289855 0.0289855 0.0289855), wk = 0.0032573 k( 145) = ( 0.0362319 0.0362319 0.0362319), wk = 0.0032573 k( 146) = ( 0.0434783 0.0434783 0.0434783), wk = 0.0032573 k( 147) = ( 0.0507246 0.0507246 0.0507246), wk = 0.0032573 k( 148) = ( 0.0579710 0.0579710 0.0579710), wk = 0.0032573 k( 149) = ( 0.0652174 0.0652174 0.0652174), wk = 0.0032573 k( 150) = ( 0.0724638 0.0724638 0.0724638), wk = 0.0032573 k( 151) = ( 0.0797101 0.0797101 0.0797101), wk = 0.0032573 k( 152) = ( 0.0869565 0.0869565 0.0869565), wk = 0.0032573 k( 153) = ( 0.0942029 0.0942029 0.0942029), wk = 0.0032573 k( 154) = ( 0.1014493 0.1014493 0.1014493), wk = 0.0032573 k( 155) = ( 0.1086957 0.1086956 0.1086956), wk = 0.0032573 k( 156) = ( 0.1159420 0.1159420 0.1159420), wk = 0.0032573 k( 157) = ( 0.1231884 0.1231884 0.1231884), wk = 0.0032573 k( 158) = ( 0.1304348 0.1304348 0.1304348), wk = 0.0032573 k( 159) = ( 0.1376812 0.1376812 0.1376812), wk = 0.0032573 k( 160) = ( 0.1449275 0.1449275 0.1449275), wk = 0.0032573 k( 161) = ( 0.1521739 0.1521739 0.1521739), wk = 0.0032573 k( 162) = ( 0.1594203 0.1594203 0.1594203), wk = 0.0032573 k( 163) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0032573 k( 164) = ( 0.1739130 0.1739130 0.1739130), wk = 0.0032573 k( 165) = ( 0.1811594 0.1811594 0.1811594), wk = 0.0032573 k( 166) = ( 0.1884058 0.1884058 0.1884058), wk = 0.0032573 k( 167) = ( 0.1956522 0.1956522 0.1956522), wk = 0.0032573 k( 168) = ( 0.2028986 0.2028985 0.2028985), wk = 0.0032573 k( 169) = ( 0.2101449 0.2101449 0.2101449), wk = 0.0032573 k( 170) = ( 0.2173913 0.2173913 0.2173913), wk = 0.0032573 k( 171) = ( 0.2246377 0.2246377 0.2246377), wk = 0.0032573 k( 172) = ( 0.2318841 0.2318841 0.2318841), wk = 0.0032573 k( 173) = ( 0.2391304 0.2391304 0.2391304), wk = 0.0032573 k( 174) = ( 0.2463768 0.2463768 0.2463768), wk = 0.0032573 k( 175) = ( 0.2536232 0.2536232 0.2536232), wk = 0.0032573 k( 176) = ( 0.2608696 0.2608696 0.2608696), wk = 0.0032573 k( 177) = ( 0.2681159 0.2681159 0.2681159), wk = 0.0032573 k( 178) = ( 0.2753623 0.2753623 0.2753623), wk = 0.0032573 k( 179) = ( 0.2826087 0.2826087 0.2826087), wk = 0.0032573 k( 180) = ( 0.2898551 0.2898551 0.2898551), wk = 0.0032573 k( 181) = ( 0.2971014 0.2971014 0.2971014), wk = 0.0032573 k( 182) = ( 0.3043478 0.3043478 0.3043478), wk = 0.0032573 k( 183) = ( 0.3115942 0.3115942 0.3115942), wk = 0.0032573 k( 184) = ( 0.3188406 0.3188406 0.3188406), wk = 0.0032573 k( 185) = ( 0.3260870 0.3260870 0.3260870), wk = 0.0032573 k( 186) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0032573 k( 187) = ( 0.3405797 0.3405797 0.3405797), wk = 0.0032573 k( 188) = ( 0.3478261 0.3478261 0.3478261), wk = 0.0032573 k( 189) = ( 0.3550725 0.3550725 0.3550725), wk = 0.0032573 k( 190) = ( 0.3623188 0.3623188 0.3623188), wk = 0.0032573 k( 191) = ( 0.3695652 0.3695652 0.3695652), wk = 0.0032573 k( 192) = ( 0.3768116 0.3768116 0.3768116), wk = 0.0032573 k( 193) = ( 0.3840580 0.3840580 0.3840580), wk = 0.0032573 k( 194) = ( 0.3913044 0.3913043 0.3913043), wk = 0.0032573 k( 195) = ( 0.3985507 0.3985507 0.3985507), wk = 0.0032573 k( 196) = ( 0.4057971 0.4057971 0.4057971), wk = 0.0032573 k( 197) = ( 0.4130435 0.4130435 0.4130435), wk = 0.0032573 k( 198) = ( 0.4202899 0.4202899 0.4202899), wk = 0.0032573 k( 199) = ( 0.4275362 0.4275362 0.4275362), wk = 0.0032573 k( 200) = ( 0.4347826 0.4347826 0.4347826), wk = 0.0032573 k( 201) = ( 0.4420290 0.4420290 0.4420290), wk = 0.0032573 k( 202) = ( 0.4492754 0.4492754 0.4492754), wk = 0.0032573 k( 203) = ( 0.4565217 0.4565217 0.4565217), wk = 0.0032573 k( 204) = ( 0.4637681 0.4637681 0.4637681), wk = 0.0032573 k( 205) = ( 0.4710145 0.4710145 0.4710145), wk = 0.0032573 k( 206) = ( 0.4782609 0.4782609 0.4782609), wk = 0.0032573 k( 207) = ( 0.4855073 0.4855072 0.4855072), wk = 0.0032573 k( 208) = ( 0.4927536 0.4927536 0.4927536), wk = 0.0032573 k( 209) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032573 k( 210) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032573 k( 211) = ( 0.4910714 0.5000000 0.4910714), wk = 0.0032573 k( 212) = ( 0.4821429 0.5000000 0.4821429), wk = 0.0032573 k( 213) = ( 0.4732143 0.5000000 0.4732143), wk = 0.0032573 k( 214) = ( 0.4642857 0.5000000 0.4642857), wk = 0.0032573 k( 215) = ( 0.4553571 0.5000000 0.4553571), wk = 0.0032573 k( 216) = ( 0.4464286 0.5000000 0.4464286), wk = 0.0032573 k( 217) = ( 0.4375000 0.5000000 0.4375000), wk = 0.0032573 k( 218) = ( 0.4285714 0.5000000 0.4285714), wk = 0.0032573 k( 219) = ( 0.4196429 0.5000000 0.4196429), wk = 0.0032573 k( 220) = ( 0.4107143 0.5000000 0.4107143), wk = 0.0032573 k( 221) = ( 0.4017857 0.5000000 0.4017857), wk = 0.0032573 k( 222) = ( 0.3928571 0.5000000 0.3928571), wk = 0.0032573 k( 223) = ( 0.3839286 0.5000000 0.3839286), wk = 0.0032573 k( 224) = ( 0.3750000 0.5000000 0.3750000), wk = 0.0032573 k( 225) = ( 0.3660714 0.5000000 0.3660714), wk = 0.0032573 k( 226) = ( 0.3571429 0.5000000 0.3571429), wk = 0.0032573 k( 227) = ( 0.3482143 0.5000000 0.3482143), wk = 0.0032573 k( 228) = ( 0.3392857 0.5000000 0.3392857), wk = 0.0032573 k( 229) = ( 0.3303571 0.5000000 0.3303571), wk = 0.0032573 k( 230) = ( 0.3214286 0.5000000 0.3214286), wk = 0.0032573 k( 231) = ( 0.3125000 0.5000000 0.3125000), wk = 0.0032573 k( 232) = ( 0.3035714 0.5000000 0.3035714), wk = 0.0032573 k( 233) = ( 0.2946429 0.5000000 0.2946429), wk = 0.0032573 k( 234) = ( 0.2857143 0.5000000 0.2857143), wk = 0.0032573 k( 235) = ( 0.2767857 0.5000000 0.2767857), wk = 0.0032573 k( 236) = ( 0.2678571 0.5000000 0.2678571), wk = 0.0032573 k( 237) = ( 0.2589286 0.5000000 0.2589286), wk = 0.0032573 k( 238) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0032573 k( 239) = ( 0.2410714 0.5000000 0.2410714), wk = 0.0032573 k( 240) = ( 0.2321429 0.5000000 0.2321429), wk = 0.0032573 k( 241) = ( 0.2232143 0.5000000 0.2232143), wk = 0.0032573 k( 242) = ( 0.2142857 0.5000000 0.2142857), wk = 0.0032573 k( 243) = ( 0.2053571 0.5000000 0.2053571), wk = 0.0032573 k( 244) = ( 0.1964286 0.5000000 0.1964286), wk = 0.0032573 k( 245) = ( 0.1875000 0.5000000 0.1875000), wk = 0.0032573 k( 246) = ( 0.1785714 0.5000000 0.1785714), wk = 0.0032573 k( 247) = ( 0.1696429 0.5000000 0.1696429), wk = 0.0032573 k( 248) = ( 0.1607143 0.5000000 0.1607143), wk = 0.0032573 k( 249) = ( 0.1517857 0.5000000 0.1517857), wk = 0.0032573 k( 250) = ( 0.1428571 0.5000000 0.1428571), wk = 0.0032573 k( 251) = ( 0.1339286 0.5000000 0.1339286), wk = 0.0032573 k( 252) = ( 0.1250000 0.5000000 0.1250000), wk = 0.0032573 k( 253) = ( 0.1160714 0.5000000 0.1160714), wk = 0.0032573 k( 254) = ( 0.1071429 0.5000000 0.1071429), wk = 0.0032573 k( 255) = ( 0.0982143 0.5000000 0.0982143), wk = 0.0032573 k( 256) = ( 0.0892857 0.5000000 0.0892857), wk = 0.0032573 k( 257) = ( 0.0803571 0.5000000 0.0803571), wk = 0.0032573 k( 258) = ( 0.0714286 0.5000000 0.0714286), wk = 0.0032573 k( 259) = ( 0.0625000 0.5000000 0.0625000), wk = 0.0032573 k( 260) = ( 0.0535714 0.5000000 0.0535714), wk = 0.0032573 k( 261) = ( 0.0446429 0.5000000 0.0446429), wk = 0.0032573 k( 262) = ( 0.0357143 0.5000000 0.0357143), wk = 0.0032573 k( 263) = ( 0.0267857 0.5000000 0.0267857), wk = 0.0032573 k( 264) = ( 0.0178571 0.5000000 0.0178571), wk = 0.0032573 k( 265) = ( 0.0089286 0.5000000 0.0089286), wk = 0.0032573 k( 266) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032573 k( 267) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032573 k( 268) = ( 0.5000000 0.5000000 0.0125000), wk = 0.0032573 k( 269) = ( 0.5000000 0.5000000 0.0250000), wk = 0.0032573 k( 270) = ( 0.5000000 0.5000000 0.0375000), wk = 0.0032573 k( 271) = ( 0.5000000 0.5000000 0.0500000), wk = 0.0032573 k( 272) = ( 0.5000000 0.5000000 0.0625000), wk = 0.0032573 k( 273) = ( 0.5000000 0.5000000 0.0750000), wk = 0.0032573 k( 274) = ( 0.5000000 0.5000000 0.0875000), wk = 0.0032573 k( 275) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0032573 k( 276) = ( 0.5000000 0.5000000 0.1125000), wk = 0.0032573 k( 277) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0032573 k( 278) = ( 0.5000000 0.5000000 0.1375000), wk = 0.0032573 k( 279) = ( 0.5000000 0.5000000 0.1500000), wk = 0.0032573 k( 280) = ( 0.5000000 0.5000000 0.1625000), wk = 0.0032573 k( 281) = ( 0.5000000 0.5000000 0.1750000), wk = 0.0032573 k( 282) = ( 0.5000000 0.5000000 0.1875000), wk = 0.0032573 k( 283) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0032573 k( 284) = ( 0.5000000 0.5000000 0.2125000), wk = 0.0032573 k( 285) = ( 0.5000000 0.5000000 0.2250000), wk = 0.0032573 k( 286) = ( 0.5000000 0.5000000 0.2375000), wk = 0.0032573 k( 287) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0032573 k( 288) = ( 0.5000000 0.5000000 0.2625000), wk = 0.0032573 k( 289) = ( 0.5000000 0.5000000 0.2750000), wk = 0.0032573 k( 290) = ( 0.5000000 0.5000000 0.2875000), wk = 0.0032573 k( 291) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0032573 k( 292) = ( 0.5000000 0.5000000 0.3125000), wk = 0.0032573 k( 293) = ( 0.5000000 0.5000000 0.3250000), wk = 0.0032573 k( 294) = ( 0.5000000 0.5000000 0.3375000), wk = 0.0032573 k( 295) = ( 0.5000000 0.5000000 0.3500000), wk = 0.0032573 k( 296) = ( 0.5000000 0.5000000 0.3625000), wk = 0.0032573 k( 297) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0032573 k( 298) = ( 0.5000000 0.5000000 0.3875000), wk = 0.0032573 k( 299) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0032573 k( 300) = ( 0.5000000 0.5000000 0.4125000), wk = 0.0032573 k( 301) = ( 0.5000000 0.5000000 0.4250000), wk = 0.0032573 k( 302) = ( 0.5000000 0.5000000 0.4375000), wk = 0.0032573 k( 303) = ( 0.5000000 0.5000000 0.4500000), wk = 0.0032573 k( 304) = ( 0.5000000 0.5000000 0.4625000), wk = 0.0032573 k( 305) = ( 0.5000000 0.5000000 0.4750000), wk = 0.0032573 k( 306) = ( 0.5000000 0.5000000 0.4875000), wk = 0.0032573 k( 307) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032573 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 2) = ( 0.0000000 0.0125000 0.0000000), wk = 0.0032573 k( 3) = ( 0.0000000 0.0250000 0.0000000), wk = 0.0032573 k( 4) = ( 0.0000000 0.0375000 0.0000000), wk = 0.0032573 k( 5) = ( 0.0000000 0.0500000 0.0000000), wk = 0.0032573 k( 6) = ( 0.0000000 0.0625000 0.0000000), wk = 0.0032573 k( 7) = ( 0.0000000 0.0750000 0.0000000), wk = 0.0032573 k( 8) = ( 0.0000000 0.0875000 0.0000000), wk = 0.0032573 k( 9) = ( 0.0000000 0.1000000 0.0000000), wk = 0.0032573 k( 10) = ( 0.0000000 0.1125000 0.0000000), wk = 0.0032573 k( 11) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0032573 k( 12) = ( 0.0000000 0.1375000 0.0000000), wk = 0.0032573 k( 13) = ( 0.0000000 0.1500000 0.0000000), wk = 0.0032573 k( 14) = ( 0.0000000 0.1625000 0.0000000), wk = 0.0032573 k( 15) = ( 0.0000000 0.1750000 0.0000000), wk = 0.0032573 k( 16) = ( 0.0000000 0.1875000 0.0000000), wk = 0.0032573 k( 17) = ( 0.0000000 0.2000000 0.0000000), wk = 0.0032573 k( 18) = ( 0.0000000 0.2125000 0.0000000), wk = 0.0032573 k( 19) = ( 0.0000000 0.2250000 0.0000000), wk = 0.0032573 k( 20) = ( 0.0000000 0.2375000 0.0000000), wk = 0.0032573 k( 21) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0032573 k( 22) = ( 0.0000000 0.2625000 0.0000000), wk = 0.0032573 k( 23) = ( 0.0000000 0.2750000 0.0000000), wk = 0.0032573 k( 24) = ( 0.0000000 0.2875000 0.0000000), wk = 0.0032573 k( 25) = ( 0.0000000 0.3000000 0.0000000), wk = 0.0032573 k( 26) = ( 0.0000000 0.3125000 0.0000000), wk = 0.0032573 k( 27) = ( 0.0000000 0.3250000 0.0000000), wk = 0.0032573 k( 28) = ( 0.0000000 0.3375000 0.0000000), wk = 0.0032573 k( 29) = ( 0.0000000 0.3500000 0.0000000), wk = 0.0032573 k( 30) = ( 0.0000000 0.3625000 0.0000000), wk = 0.0032573 k( 31) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0032573 k( 32) = ( 0.0000000 0.3875000 0.0000000), wk = 0.0032573 k( 33) = ( 0.0000000 0.4000000 0.0000000), wk = 0.0032573 k( 34) = ( 0.0000000 0.4125000 0.0000000), wk = 0.0032573 k( 35) = ( 0.0000000 0.4250000 0.0000000), wk = 0.0032573 k( 36) = ( 0.0000000 0.4375000 0.0000000), wk = 0.0032573 k( 37) = ( 0.0000000 0.4500000 0.0000000), wk = 0.0032573 k( 38) = ( 0.0000000 0.4625000 0.0000000), wk = 0.0032573 k( 39) = ( 0.0000000 0.4750000 0.0000000), wk = 0.0032573 k( 40) = ( 0.0000000 0.4875000 0.0000000), wk = 0.0032573 k( 41) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032573 k( 42) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032573 k( 43) = ( 0.0125000 0.5000000 0.0000000), wk = 0.0032573 k( 44) = ( 0.0250000 0.5000000 0.0000000), wk = 0.0032573 k( 45) = ( 0.0375000 0.5000000 0.0000000), wk = 0.0032573 k( 46) = ( 0.0500000 0.5000000 0.0000000), wk = 0.0032573 k( 47) = ( 0.0625000 0.5000000 0.0000000), wk = 0.0032573 k( 48) = ( 0.0750000 0.5000000 0.0000000), wk = 0.0032573 k( 49) = ( 0.0875000 0.5000000 0.0000000), wk = 0.0032573 k( 50) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0032573 k( 51) = ( 0.1125000 0.5000000 0.0000000), wk = 0.0032573 k( 52) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0032573 k( 53) = ( 0.1375000 0.5000000 0.0000000), wk = 0.0032573 k( 54) = ( 0.1500000 0.5000000 0.0000000), wk = 0.0032573 k( 55) = ( 0.1625000 0.5000000 0.0000000), wk = 0.0032573 k( 56) = ( 0.1750000 0.5000000 0.0000000), wk = 0.0032573 k( 57) = ( 0.1875000 0.5000000 0.0000000), wk = 0.0032573 k( 58) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0032573 k( 59) = ( 0.2125000 0.5000000 0.0000000), wk = 0.0032573 k( 60) = ( 0.2250000 0.5000000 0.0000000), wk = 0.0032573 k( 61) = ( 0.2375000 0.5000000 0.0000000), wk = 0.0032573 k( 62) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0032573 k( 63) = ( 0.2625000 0.5000000 0.0000000), wk = 0.0032573 k( 64) = ( 0.2750000 0.5000000 0.0000000), wk = 0.0032573 k( 65) = ( 0.2875000 0.5000000 0.0000000), wk = 0.0032573 k( 66) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0032573 k( 67) = ( 0.3125000 0.5000000 0.0000000), wk = 0.0032573 k( 68) = ( 0.3250000 0.5000000 0.0000000), wk = 0.0032573 k( 69) = ( 0.3375000 0.5000000 0.0000000), wk = 0.0032573 k( 70) = ( 0.3500000 0.5000000 0.0000000), wk = 0.0032573 k( 71) = ( 0.3625000 0.5000000 0.0000000), wk = 0.0032573 k( 72) = ( 0.3750000 0.5000000 0.0000000), wk = 0.0032573 k( 73) = ( 0.3875000 0.5000000 0.0000000), wk = 0.0032573 k( 74) = ( 0.4000000 0.5000000 0.0000000), wk = 0.0032573 k( 75) = ( 0.4125000 0.5000000 0.0000000), wk = 0.0032573 k( 76) = ( 0.4250000 0.5000000 0.0000000), wk = 0.0032573 k( 77) = ( 0.4375000 0.5000000 0.0000000), wk = 0.0032573 k( 78) = ( 0.4500000 0.5000000 0.0000000), wk = 0.0032573 k( 79) = ( 0.4625000 0.5000000 0.0000000), wk = 0.0032573 k( 80) = ( 0.4750000 0.5000000 0.0000000), wk = 0.0032573 k( 81) = ( 0.4875000 0.5000000 0.0000000), wk = 0.0032573 k( 82) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032573 k( 83) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032573 k( 84) = ( 0.4910714 0.4910714 0.0000000), wk = 0.0032573 k( 85) = ( 0.4821429 0.4821429 0.0000000), wk = 0.0032573 k( 86) = ( 0.4732143 0.4732143 0.0000000), wk = 0.0032573 k( 87) = ( 0.4642857 0.4642857 0.0000000), wk = 0.0032573 k( 88) = ( 0.4553571 0.4553571 0.0000000), wk = 0.0032573 k( 89) = ( 0.4464286 0.4464286 0.0000000), wk = 0.0032573 k( 90) = ( 0.4375000 0.4375000 0.0000000), wk = 0.0032573 k( 91) = ( 0.4285714 0.4285714 0.0000000), wk = 0.0032573 k( 92) = ( 0.4196429 0.4196429 0.0000000), wk = 0.0032573 k( 93) = ( 0.4107143 0.4107143 0.0000000), wk = 0.0032573 k( 94) = ( 0.4017857 0.4017857 0.0000000), wk = 0.0032573 k( 95) = ( 0.3928571 0.3928571 0.0000000), wk = 0.0032573 k( 96) = ( 0.3839286 0.3839286 0.0000000), wk = 0.0032573 k( 97) = ( 0.3750000 0.3750000 0.0000000), wk = 0.0032573 k( 98) = ( 0.3660714 0.3660714 0.0000000), wk = 0.0032573 k( 99) = ( 0.3571429 0.3571429 0.0000000), wk = 0.0032573 k( 100) = ( 0.3482143 0.3482143 0.0000000), wk = 0.0032573 k( 101) = ( 0.3392857 0.3392857 0.0000000), wk = 0.0032573 k( 102) = ( 0.3303571 0.3303571 0.0000000), wk = 0.0032573 k( 103) = ( 0.3214286 0.3214286 0.0000000), wk = 0.0032573 k( 104) = ( 0.3125000 0.3125000 0.0000000), wk = 0.0032573 k( 105) = ( 0.3035714 0.3035714 0.0000000), wk = 0.0032573 k( 106) = ( 0.2946429 0.2946429 0.0000000), wk = 0.0032573 k( 107) = ( 0.2857143 0.2857143 0.0000000), wk = 0.0032573 k( 108) = ( 0.2767857 0.2767857 0.0000000), wk = 0.0032573 k( 109) = ( 0.2678571 0.2678571 0.0000000), wk = 0.0032573 k( 110) = ( 0.2589286 0.2589286 0.0000000), wk = 0.0032573 k( 111) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0032573 k( 112) = ( 0.2410714 0.2410714 0.0000000), wk = 0.0032573 k( 113) = ( 0.2321429 0.2321429 0.0000000), wk = 0.0032573 k( 114) = ( 0.2232143 0.2232143 0.0000000), wk = 0.0032573 k( 115) = ( 0.2142857 0.2142857 0.0000000), wk = 0.0032573 k( 116) = ( 0.2053571 0.2053571 0.0000000), wk = 0.0032573 k( 117) = ( 0.1964286 0.1964286 0.0000000), wk = 0.0032573 k( 118) = ( 0.1875000 0.1875000 0.0000000), wk = 0.0032573 k( 119) = ( 0.1785714 0.1785714 0.0000000), wk = 0.0032573 k( 120) = ( 0.1696429 0.1696429 0.0000000), wk = 0.0032573 k( 121) = ( 0.1607143 0.1607143 0.0000000), wk = 0.0032573 k( 122) = ( 0.1517857 0.1517857 0.0000000), wk = 0.0032573 k( 123) = ( 0.1428571 0.1428571 0.0000000), wk = 0.0032573 k( 124) = ( 0.1339286 0.1339286 0.0000000), wk = 0.0032573 k( 125) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0032573 k( 126) = ( 0.1160714 0.1160714 0.0000000), wk = 0.0032573 k( 127) = ( 0.1071429 0.1071429 0.0000000), wk = 0.0032573 k( 128) = ( 0.0982143 0.0982143 0.0000000), wk = 0.0032573 k( 129) = ( 0.0892857 0.0892857 0.0000000), wk = 0.0032573 k( 130) = ( 0.0803571 0.0803571 0.0000000), wk = 0.0032573 k( 131) = ( 0.0714286 0.0714286 0.0000000), wk = 0.0032573 k( 132) = ( 0.0625000 0.0625000 0.0000000), wk = 0.0032573 k( 133) = ( 0.0535714 0.0535714 0.0000000), wk = 0.0032573 k( 134) = ( 0.0446429 0.0446429 0.0000000), wk = 0.0032573 k( 135) = ( 0.0357143 0.0357143 0.0000000), wk = 0.0032573 k( 136) = ( 0.0267857 0.0267857 0.0000000), wk = 0.0032573 k( 137) = ( 0.0178571 0.0178571 0.0000000), wk = 0.0032573 k( 138) = ( 0.0089286 0.0089286 0.0000000), wk = 0.0032573 k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 141) = ( 0.0072464 0.0072464 0.0072464), wk = 0.0032573 k( 142) = ( 0.0144928 0.0144928 0.0144928), wk = 0.0032573 k( 143) = ( 0.0217391 0.0217391 0.0217391), wk = 0.0032573 k( 144) = ( 0.0289855 0.0289855 0.0289855), wk = 0.0032573 k( 145) = ( 0.0362319 0.0362319 0.0362319), wk = 0.0032573 k( 146) = ( 0.0434783 0.0434783 0.0434783), wk = 0.0032573 k( 147) = ( 0.0507246 0.0507246 0.0507246), wk = 0.0032573 k( 148) = ( 0.0579710 0.0579710 0.0579710), wk = 0.0032573 k( 149) = ( 0.0652174 0.0652174 0.0652174), wk = 0.0032573 k( 150) = ( 0.0724638 0.0724638 0.0724638), wk = 0.0032573 k( 151) = ( 0.0797101 0.0797101 0.0797101), wk = 0.0032573 k( 152) = ( 0.0869565 0.0869565 0.0869565), wk = 0.0032573 k( 153) = ( 0.0942029 0.0942029 0.0942029), wk = 0.0032573 k( 154) = ( 0.1014493 0.1014493 0.1014493), wk = 0.0032573 k( 155) = ( 0.1086957 0.1086957 0.1086957), wk = 0.0032573 k( 156) = ( 0.1159420 0.1159420 0.1159420), wk = 0.0032573 k( 157) = ( 0.1231884 0.1231884 0.1231884), wk = 0.0032573 k( 158) = ( 0.1304348 0.1304348 0.1304348), wk = 0.0032573 k( 159) = ( 0.1376812 0.1376812 0.1376812), wk = 0.0032573 k( 160) = ( 0.1449275 0.1449275 0.1449275), wk = 0.0032573 k( 161) = ( 0.1521739 0.1521739 0.1521739), wk = 0.0032573 k( 162) = ( 0.1594203 0.1594203 0.1594203), wk = 0.0032573 k( 163) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0032573 k( 164) = ( 0.1739130 0.1739130 0.1739130), wk = 0.0032573 k( 165) = ( 0.1811594 0.1811594 0.1811594), wk = 0.0032573 k( 166) = ( 0.1884058 0.1884058 0.1884058), wk = 0.0032573 k( 167) = ( 0.1956522 0.1956522 0.1956522), wk = 0.0032573 k( 168) = ( 0.2028986 0.2028986 0.2028986), wk = 0.0032573 k( 169) = ( 0.2101449 0.2101449 0.2101449), wk = 0.0032573 k( 170) = ( 0.2173913 0.2173913 0.2173913), wk = 0.0032573 k( 171) = ( 0.2246377 0.2246377 0.2246377), wk = 0.0032573 k( 172) = ( 0.2318841 0.2318841 0.2318841), wk = 0.0032573 k( 173) = ( 0.2391304 0.2391304 0.2391304), wk = 0.0032573 k( 174) = ( 0.2463768 0.2463768 0.2463768), wk = 0.0032573 k( 175) = ( 0.2536232 0.2536232 0.2536232), wk = 0.0032573 k( 176) = ( 0.2608696 0.2608696 0.2608696), wk = 0.0032573 k( 177) = ( 0.2681159 0.2681159 0.2681159), wk = 0.0032573 k( 178) = ( 0.2753623 0.2753623 0.2753623), wk = 0.0032573 k( 179) = ( 0.2826087 0.2826087 0.2826087), wk = 0.0032573 k( 180) = ( 0.2898551 0.2898551 0.2898551), wk = 0.0032573 k( 181) = ( 0.2971014 0.2971014 0.2971014), wk = 0.0032573 k( 182) = ( 0.3043478 0.3043478 0.3043478), wk = 0.0032573 k( 183) = ( 0.3115942 0.3115942 0.3115942), wk = 0.0032573 k( 184) = ( 0.3188406 0.3188406 0.3188406), wk = 0.0032573 k( 185) = ( 0.3260870 0.3260870 0.3260870), wk = 0.0032573 k( 186) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0032573 k( 187) = ( 0.3405797 0.3405797 0.3405797), wk = 0.0032573 k( 188) = ( 0.3478261 0.3478261 0.3478261), wk = 0.0032573 k( 189) = ( 0.3550725 0.3550725 0.3550725), wk = 0.0032573 k( 190) = ( 0.3623188 0.3623188 0.3623188), wk = 0.0032573 k( 191) = ( 0.3695652 0.3695652 0.3695652), wk = 0.0032573 k( 192) = ( 0.3768116 0.3768116 0.3768116), wk = 0.0032573 k( 193) = ( 0.3840580 0.3840580 0.3840580), wk = 0.0032573 k( 194) = ( 0.3913044 0.3913044 0.3913044), wk = 0.0032573 k( 195) = ( 0.3985507 0.3985507 0.3985507), wk = 0.0032573 k( 196) = ( 0.4057971 0.4057971 0.4057971), wk = 0.0032573 k( 197) = ( 0.4130435 0.4130435 0.4130435), wk = 0.0032573 k( 198) = ( 0.4202899 0.4202899 0.4202899), wk = 0.0032573 k( 199) = ( 0.4275362 0.4275362 0.4275362), wk = 0.0032573 k( 200) = ( 0.4347826 0.4347826 0.4347826), wk = 0.0032573 k( 201) = ( 0.4420290 0.4420290 0.4420290), wk = 0.0032573 k( 202) = ( 0.4492754 0.4492754 0.4492754), wk = 0.0032573 k( 203) = ( 0.4565217 0.4565217 0.4565217), wk = 0.0032573 k( 204) = ( 0.4637681 0.4637681 0.4637681), wk = 0.0032573 k( 205) = ( 0.4710145 0.4710145 0.4710145), wk = 0.0032573 k( 206) = ( 0.4782609 0.4782609 0.4782609), wk = 0.0032573 k( 207) = ( 0.4855073 0.4855073 0.4855073), wk = 0.0032573 k( 208) = ( 0.4927536 0.4927536 0.4927536), wk = 0.0032573 k( 209) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032573 k( 210) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032573 k( 211) = ( 0.4910714 0.5000000 0.4910714), wk = 0.0032573 k( 212) = ( 0.4821429 0.5000000 0.4821429), wk = 0.0032573 k( 213) = ( 0.4732143 0.5000000 0.4732143), wk = 0.0032573 k( 214) = ( 0.4642857 0.5000000 0.4642857), wk = 0.0032573 k( 215) = ( 0.4553571 0.5000000 0.4553571), wk = 0.0032573 k( 216) = ( 0.4464286 0.5000000 0.4464286), wk = 0.0032573 k( 217) = ( 0.4375000 0.5000000 0.4375000), wk = 0.0032573 k( 218) = ( 0.4285714 0.5000000 0.4285714), wk = 0.0032573 k( 219) = ( 0.4196429 0.5000000 0.4196429), wk = 0.0032573 k( 220) = ( 0.4107143 0.5000000 0.4107143), wk = 0.0032573 k( 221) = ( 0.4017857 0.5000000 0.4017857), wk = 0.0032573 k( 222) = ( 0.3928571 0.5000000 0.3928571), wk = 0.0032573 k( 223) = ( 0.3839286 0.5000000 0.3839286), wk = 0.0032573 k( 224) = ( 0.3750000 0.5000000 0.3750000), wk = 0.0032573 k( 225) = ( 0.3660714 0.5000000 0.3660714), wk = 0.0032573 k( 226) = ( 0.3571429 0.5000000 0.3571429), wk = 0.0032573 k( 227) = ( 0.3482143 0.5000000 0.3482143), wk = 0.0032573 k( 228) = ( 0.3392857 0.5000000 0.3392857), wk = 0.0032573 k( 229) = ( 0.3303571 0.5000000 0.3303571), wk = 0.0032573 k( 230) = ( 0.3214286 0.5000000 0.3214286), wk = 0.0032573 k( 231) = ( 0.3125000 0.5000000 0.3125000), wk = 0.0032573 k( 232) = ( 0.3035714 0.5000000 0.3035714), wk = 0.0032573 k( 233) = ( 0.2946429 0.5000000 0.2946429), wk = 0.0032573 k( 234) = ( 0.2857143 0.5000000 0.2857143), wk = 0.0032573 k( 235) = ( 0.2767857 0.5000000 0.2767857), wk = 0.0032573 k( 236) = ( 0.2678571 0.5000000 0.2678571), wk = 0.0032573 k( 237) = ( 0.2589286 0.5000000 0.2589286), wk = 0.0032573 k( 238) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0032573 k( 239) = ( 0.2410714 0.5000000 0.2410714), wk = 0.0032573 k( 240) = ( 0.2321429 0.5000000 0.2321429), wk = 0.0032573 k( 241) = ( 0.2232143 0.5000000 0.2232143), wk = 0.0032573 k( 242) = ( 0.2142857 0.5000000 0.2142857), wk = 0.0032573 k( 243) = ( 0.2053571 0.5000000 0.2053571), wk = 0.0032573 k( 244) = ( 0.1964286 0.5000000 0.1964286), wk = 0.0032573 k( 245) = ( 0.1875000 0.5000000 0.1875000), wk = 0.0032573 k( 246) = ( 0.1785714 0.5000000 0.1785714), wk = 0.0032573 k( 247) = ( 0.1696429 0.5000000 0.1696429), wk = 0.0032573 k( 248) = ( 0.1607143 0.5000000 0.1607143), wk = 0.0032573 k( 249) = ( 0.1517857 0.5000000 0.1517857), wk = 0.0032573 k( 250) = ( 0.1428571 0.5000000 0.1428571), wk = 0.0032573 k( 251) = ( 0.1339286 0.5000000 0.1339286), wk = 0.0032573 k( 252) = ( 0.1250000 0.5000000 0.1250000), wk = 0.0032573 k( 253) = ( 0.1160714 0.5000000 0.1160714), wk = 0.0032573 k( 254) = ( 0.1071429 0.5000000 0.1071429), wk = 0.0032573 k( 255) = ( 0.0982143 0.5000000 0.0982143), wk = 0.0032573 k( 256) = ( 0.0892857 0.5000000 0.0892857), wk = 0.0032573 k( 257) = ( 0.0803571 0.5000000 0.0803571), wk = 0.0032573 k( 258) = ( 0.0714286 0.5000000 0.0714286), wk = 0.0032573 k( 259) = ( 0.0625000 0.5000000 0.0625000), wk = 0.0032573 k( 260) = ( 0.0535714 0.5000000 0.0535714), wk = 0.0032573 k( 261) = ( 0.0446429 0.5000000 0.0446429), wk = 0.0032573 k( 262) = ( 0.0357143 0.5000000 0.0357143), wk = 0.0032573 k( 263) = ( 0.0267857 0.5000000 0.0267857), wk = 0.0032573 k( 264) = ( 0.0178571 0.5000000 0.0178571), wk = 0.0032573 k( 265) = ( 0.0089286 0.5000000 0.0089286), wk = 0.0032573 k( 266) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032573 k( 267) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032573 k( 268) = ( 0.5000000 0.5000000 0.0125000), wk = 0.0032573 k( 269) = ( 0.5000000 0.5000000 0.0250000), wk = 0.0032573 k( 270) = ( 0.5000000 0.5000000 0.0375000), wk = 0.0032573 k( 271) = ( 0.5000000 0.5000000 0.0500000), wk = 0.0032573 k( 272) = ( 0.5000000 0.5000000 0.0625000), wk = 0.0032573 k( 273) = ( 0.5000000 0.5000000 0.0750000), wk = 0.0032573 k( 274) = ( 0.5000000 0.5000000 0.0875000), wk = 0.0032573 k( 275) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0032573 k( 276) = ( 0.5000000 0.5000000 0.1125000), wk = 0.0032573 k( 277) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0032573 k( 278) = ( 0.5000000 0.5000000 0.1375000), wk = 0.0032573 k( 279) = ( 0.5000000 0.5000000 0.1500000), wk = 0.0032573 k( 280) = ( 0.5000000 0.5000000 0.1625000), wk = 0.0032573 k( 281) = ( 0.5000000 0.5000000 0.1750000), wk = 0.0032573 k( 282) = ( 0.5000000 0.5000000 0.1875000), wk = 0.0032573 k( 283) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0032573 k( 284) = ( 0.5000000 0.5000000 0.2125000), wk = 0.0032573 k( 285) = ( 0.5000000 0.5000000 0.2250000), wk = 0.0032573 k( 286) = ( 0.5000000 0.5000000 0.2375000), wk = 0.0032573 k( 287) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0032573 k( 288) = ( 0.5000000 0.5000000 0.2625000), wk = 0.0032573 k( 289) = ( 0.5000000 0.5000000 0.2750000), wk = 0.0032573 k( 290) = ( 0.5000000 0.5000000 0.2875000), wk = 0.0032573 k( 291) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0032573 k( 292) = ( 0.5000000 0.5000000 0.3125000), wk = 0.0032573 k( 293) = ( 0.5000000 0.5000000 0.3250000), wk = 0.0032573 k( 294) = ( 0.5000000 0.5000000 0.3375000), wk = 0.0032573 k( 295) = ( 0.5000000 0.5000000 0.3500000), wk = 0.0032573 k( 296) = ( 0.5000000 0.5000000 0.3625000), wk = 0.0032573 k( 297) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0032573 k( 298) = ( 0.5000000 0.5000000 0.3875000), wk = 0.0032573 k( 299) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0032573 k( 300) = ( 0.5000000 0.5000000 0.4125000), wk = 0.0032573 k( 301) = ( 0.5000000 0.5000000 0.4250000), wk = 0.0032573 k( 302) = ( 0.5000000 0.5000000 0.4375000), wk = 0.0032573 k( 303) = ( 0.5000000 0.5000000 0.4500000), wk = 0.0032573 k( 304) = ( 0.5000000 0.5000000 0.4625000), wk = 0.0032573 k( 305) = ( 0.5000000 0.5000000 0.4750000), wk = 0.0032573 k( 306) = ( 0.5000000 0.5000000 0.4875000), wk = 0.0032573 k( 307) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032573 Dense grid: 41851 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 20197 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.11 Mb ( 146, 50) NL pseudopotentials 0.12 Mb ( 73, 110) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1162) G-vector shells 0.00 Mb ( 279) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.45 Mb ( 146, 200) Each subspace H/S matrix 0.04 Mb ( 50, 50) Each matrix 0.17 Mb ( 110, 2, 50) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./SrMoO3.save/charge-density.dat Starting wfc are 60 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.5 secs Computing kpt #: 2 total cpu time spent up to now is 2.8 secs Computing kpt #: 3 total cpu time spent up to now is 3.1 secs Computing kpt #: 4 total cpu time spent up to now is 3.4 secs Computing kpt #: 5 total cpu time spent up to now is 3.7 secs Computing kpt #: 6 total cpu time spent up to now is 4.0 secs Computing kpt #: 7 total cpu time spent up to now is 4.3 secs Computing kpt #: 8 total cpu time spent up to now is 4.6 secs Computing kpt #: 9 total cpu time spent up to now is 4.9 secs Computing kpt #: 10 total cpu time spent up to now is 5.2 secs Computing kpt #: 11 total cpu time spent up to now is 5.6 secs Computing kpt #: 12 total cpu time spent up to now is 6.1 secs Computing kpt #: 13 total cpu time spent up to now is 6.5 secs Computing kpt #: 14 total cpu time spent up to now is 7.0 secs Computing kpt #: 15 total cpu time spent up to now is 7.4 secs Computing kpt #: 16 total cpu time spent up to now is 7.7 secs Computing kpt #: 17 total cpu time spent up to now is 8.0 secs Computing kpt #: 18 total cpu time spent up to now is 8.4 secs Computing kpt #: 19 total cpu time spent up to now is 8.7 secs Computing kpt #: 20 total cpu time spent up to now is 9.0 secs Computing kpt #: 21 total cpu time spent up to now is 9.4 secs Computing kpt #: 22 total cpu time spent up to now is 9.7 secs Computing kpt #: 23 total cpu time spent up to now is 10.0 secs Computing kpt #: 24 total cpu time spent up to now is 10.4 secs Computing kpt #: 25 total cpu time spent up to now is 10.7 secs Computing kpt #: 26 total cpu time spent up to now is 11.0 secs Computing kpt #: 27 total cpu time spent up to now is 11.4 secs Computing kpt #: 28 total cpu time spent up to now is 11.8 secs Computing kpt #: 29 total cpu time spent up to now is 12.1 secs Computing kpt #: 30 total cpu time spent up to now is 12.4 secs Computing kpt #: 31 total cpu time spent up to now is 12.8 secs Computing kpt #: 32 total cpu time spent up to now is 13.2 secs Computing kpt #: 33 total cpu time spent up to now is 13.6 secs Computing kpt #: 34 total cpu time spent up to now is 14.0 secs Computing kpt #: 35 total cpu time spent up to now is 14.4 secs Computing kpt #: 36 total cpu time spent up to now is 14.8 secs Computing kpt #: 37 total cpu time spent up to now is 15.2 secs Computing kpt #: 38 total cpu time spent up to now is 15.5 secs Computing kpt #: 39 total cpu time spent up to now is 15.9 secs Computing kpt #: 40 total cpu time spent up to now is 16.3 secs Computing kpt #: 41 total cpu time spent up to now is 16.7 secs Computing kpt #: 42 total cpu time spent up to now is 17.1 secs Computing kpt #: 43 total cpu time spent up to now is 17.5 secs Computing kpt #: 44 total cpu time spent up to now is 17.9 secs Computing kpt #: 45 total cpu time spent up to now is 18.2 secs Computing kpt #: 46 total cpu time spent up to now is 18.6 secs Computing kpt #: 47 total cpu time spent up to now is 19.0 secs Computing kpt #: 48 total cpu time spent up to now is 19.3 secs Computing kpt #: 49 total cpu time spent up to now is 19.7 secs Computing kpt #: 50 total cpu time spent up to now is 20.1 secs Computing kpt #: 51 total cpu time spent up to now is 20.4 secs Computing kpt #: 52 total cpu time spent up to now is 20.8 secs Computing kpt #: 53 total cpu time spent up to now is 21.1 secs Computing kpt #: 54 total cpu time spent up to now is 21.4 secs Computing kpt #: 55 total cpu time spent up to now is 21.8 secs Computing kpt #: 56 total cpu time spent up to now is 22.1 secs Computing kpt #: 57 total cpu time spent up to now is 22.4 secs Computing kpt #: 58 total cpu time spent up to now is 22.7 secs Computing kpt #: 59 total cpu time spent up to now is 23.0 secs Computing kpt #: 60 total cpu time spent up to now is 23.3 secs Computing kpt #: 61 total cpu time spent up to now is 23.6 secs Computing kpt #: 62 total cpu time spent up to now is 24.0 secs Computing kpt #: 63 total cpu time spent up to now is 24.3 secs Computing kpt #: 64 total cpu time spent up to now is 24.6 secs Computing kpt #: 65 total cpu time spent up to now is 24.9 secs Computing kpt #: 66 total cpu time spent up to now is 25.2 secs Computing kpt #: 67 total cpu time spent up to now is 25.5 secs Computing kpt #: 68 total cpu time spent up to now is 25.8 secs Computing kpt #: 69 total cpu time spent up to now is 26.2 secs Computing kpt #: 70 total cpu time spent up to now is 26.5 secs Computing kpt #: 71 total cpu time spent up to now is 26.8 secs Computing kpt #: 72 total cpu time spent up to now is 27.1 secs Computing kpt #: 73 total cpu time spent up to now is 27.5 secs Computing kpt #: 74 total cpu time spent up to now is 27.8 secs Computing kpt #: 75 total cpu time spent up to now is 28.1 secs Computing kpt #: 76 total cpu time spent up to now is 28.5 secs Computing kpt #: 77 total cpu time spent up to now is 28.8 secs Computing kpt #: 78 total cpu time spent up to now is 29.1 secs Computing kpt #: 79 total cpu time spent up to now is 29.4 secs Computing kpt #: 80 total cpu time spent up to now is 29.8 secs Computing kpt #: 81 total cpu time spent up to now is 30.1 secs Computing kpt #: 82 total cpu time spent up to now is 30.4 secs Computing kpt #: 83 total cpu time spent up to now is 30.8 secs Computing kpt #: 84 total cpu time spent up to now is 31.1 secs Computing kpt #: 85 total cpu time spent up to now is 31.5 secs Computing kpt #: 86 total cpu time spent up to now is 31.8 secs Computing kpt #: 87 total cpu time spent up to now is 32.1 secs Computing kpt #: 88 total cpu time spent up to now is 32.4 secs Computing kpt #: 89 total cpu time spent up to now is 32.8 secs Computing kpt #: 90 total cpu time spent up to now is 33.1 secs Computing kpt #: 91 total cpu time spent up to now is 33.4 secs Computing kpt #: 92 total cpu time spent up to now is 33.8 secs Computing kpt #: 93 total cpu time spent up to now is 34.1 secs Computing kpt #: 94 total cpu time spent up to now is 34.4 secs Computing kpt #: 95 total cpu time spent up to now is 34.7 secs Computing kpt #: 96 total cpu time spent up to now is 35.0 secs Computing kpt #: 97 total cpu time spent up to now is 35.4 secs Computing kpt #: 98 total cpu time spent up to now is 35.7 secs Computing kpt #: 99 total cpu time spent up to now is 36.0 secs Computing kpt #: 100 total cpu time spent up to now is 36.3 secs Computing kpt #: 101 total cpu time spent up to now is 36.6 secs Computing kpt #: 102 total cpu time spent up to now is 36.9 secs Computing kpt #: 103 total cpu time spent up to now is 37.2 secs Computing kpt #: 104 total cpu time spent up to now is 37.5 secs Computing kpt #: 105 total cpu time spent up to now is 37.8 secs Computing kpt #: 106 total cpu time spent up to now is 38.1 secs Computing kpt #: 107 total cpu time spent up to now is 38.4 secs Computing kpt #: 108 total cpu time spent up to now is 38.7 secs Computing kpt #: 109 total cpu time spent up to now is 39.1 secs Computing kpt #: 110 total cpu time spent up to now is 39.4 secs Computing kpt #: 111 total cpu time spent up to now is 39.7 secs Computing kpt #: 112 total cpu time spent up to now is 40.0 secs Computing kpt #: 113 total cpu time spent up to now is 40.3 secs Computing kpt #: 114 total cpu time spent up to now is 40.6 secs Computing kpt #: 115 total cpu time spent up to now is 41.0 secs Computing kpt #: 116 total cpu time spent up to now is 41.3 secs Computing kpt #: 117 total cpu time spent up to now is 41.7 secs Computing kpt #: 118 total cpu time spent up to now is 42.0 secs Computing kpt #: 119 total cpu time spent up to now is 42.3 secs Computing kpt #: 120 total cpu time spent up to now is 42.7 secs Computing kpt #: 121 total cpu time spent up to now is 43.0 secs Computing kpt #: 122 total cpu time spent up to now is 43.4 secs Computing kpt #: 123 total cpu time spent up to now is 43.7 secs Computing kpt #: 124 total cpu time spent up to now is 44.1 secs Computing kpt #: 125 total cpu time spent up to now is 44.4 secs Computing kpt #: 126 total cpu time spent up to now is 44.8 secs Computing kpt #: 127 total cpu time spent up to now is 45.1 secs Computing kpt #: 128 total cpu time spent up to now is 45.4 secs Computing kpt #: 129 total cpu time spent up to now is 45.7 secs Computing kpt #: 130 total cpu time spent up to now is 46.0 secs Computing kpt #: 131 total cpu time spent up to now is 46.4 secs Computing kpt #: 132 total cpu time spent up to now is 46.7 secs Computing kpt #: 133 total cpu time spent up to now is 47.0 secs Computing kpt #: 134 total cpu time spent up to now is 47.3 secs Computing kpt #: 135 total cpu time spent up to now is 47.6 secs Computing kpt #: 136 total cpu time spent up to now is 47.9 secs Computing kpt #: 137 total cpu time spent up to now is 48.2 secs Computing kpt #: 138 total cpu time spent up to now is 48.5 secs Computing kpt #: 139 total cpu time spent up to now is 48.8 secs Computing kpt #: 140 total cpu time spent up to now is 49.1 secs Computing kpt #: 141 total cpu time spent up to now is 49.4 secs Computing kpt #: 142 total cpu time spent up to now is 49.7 secs Computing kpt #: 143 total cpu time spent up to now is 50.0 secs Computing kpt #: 144 total cpu time spent up to now is 50.3 secs Computing kpt #: 145 total cpu time spent up to now is 50.6 secs Computing kpt #: 146 total cpu time spent up to now is 50.9 secs Computing kpt #: 147 total cpu time spent up to now is 51.2 secs Computing kpt #: 148 total cpu time spent up to now is 51.5 secs Computing kpt #: 149 total cpu time spent up to now is 51.8 secs Computing kpt #: 150 total cpu time spent up to now is 52.1 secs Computing kpt #: 151 total cpu time spent up to now is 52.4 secs Computing kpt #: 152 total cpu time spent up to now is 52.7 secs Computing kpt #: 153 total cpu time spent up to now is 53.0 secs Computing kpt #: 154 total cpu time spent up to now is 53.3 secs Computing kpt #: 155 total cpu time spent up to now is 53.7 secs Computing kpt #: 156 total cpu time spent up to now is 54.0 secs Computing kpt #: 157 total cpu time spent up to now is 54.3 secs Computing kpt #: 158 total cpu time spent up to now is 54.6 secs Computing kpt #: 159 total cpu time spent up to now is 54.9 secs Computing kpt #: 160 total cpu time spent up to now is 55.2 secs Computing kpt #: 161 total cpu time spent up to now is 55.5 secs Computing kpt #: 162 total cpu time spent up to now is 55.9 secs Computing kpt #: 163 total cpu time spent up to now is 56.2 secs Computing kpt #: 164 total cpu time spent up to now is 56.6 secs Computing kpt #: 165 total cpu time spent up to now is 56.9 secs Computing kpt #: 166 total cpu time spent up to now is 57.2 secs Computing kpt #: 167 total cpu time spent up to now is 57.6 secs Computing kpt #: 168 total cpu time spent up to now is 57.9 secs Computing kpt #: 169 total cpu time spent up to now is 58.2 secs Computing kpt #: 170 total cpu time spent up to now is 58.6 secs Computing kpt #: 171 total cpu time spent up to now is 58.9 secs Computing kpt #: 172 total cpu time spent up to now is 59.3 secs Computing kpt #: 173 total cpu time spent up to now is 59.6 secs Computing kpt #: 174 total cpu time spent up to now is 60.0 secs Computing kpt #: 175 total cpu time spent up to now is 60.3 secs Computing kpt #: 176 total cpu time spent up to now is 60.6 secs Computing kpt #: 177 total cpu time spent up to now is 60.9 secs Computing kpt #: 178 total cpu time spent up to now is 61.3 secs Computing kpt #: 179 total cpu time spent up to now is 61.6 secs Computing kpt #: 180 total cpu time spent up to now is 62.0 secs Computing kpt #: 181 total cpu time spent up to now is 62.3 secs Computing kpt #: 182 total cpu time spent up to now is 62.6 secs Computing kpt #: 183 total cpu time spent up to now is 63.0 secs Computing kpt #: 184 total cpu time spent up to now is 63.3 secs Computing kpt #: 185 total cpu time spent up to now is 63.6 secs Computing kpt #: 186 total cpu time spent up to now is 63.9 secs Computing kpt #: 187 total cpu time spent up to now is 64.3 secs Computing kpt #: 188 total cpu time spent up to now is 64.6 secs Computing kpt #: 189 total cpu time spent up to now is 64.9 secs Computing kpt #: 190 total cpu time spent up to now is 65.2 secs Computing kpt #: 191 total cpu time spent up to now is 65.5 secs Computing kpt #: 192 total cpu time spent up to now is 65.9 secs Computing kpt #: 193 total cpu time spent up to now is 66.2 secs Computing kpt #: 194 total cpu time spent up to now is 66.5 secs Computing kpt #: 195 total cpu time spent up to now is 66.8 secs Computing kpt #: 196 total cpu time spent up to now is 67.1 secs Computing kpt #: 197 total cpu time spent up to now is 67.4 secs Computing kpt #: 198 total cpu time spent up to now is 67.7 secs Computing kpt #: 199 total cpu time spent up to now is 68.0 secs Computing kpt #: 200 total cpu time spent up to now is 68.3 secs Computing kpt #: 201 total cpu time spent up to now is 68.6 secs Computing kpt #: 202 total cpu time spent up to now is 68.9 secs Computing kpt #: 203 total cpu time spent up to now is 69.3 secs Computing kpt #: 204 total cpu time spent up to now is 69.6 secs Computing kpt #: 205 total cpu time spent up to now is 69.9 secs Computing kpt #: 206 total cpu time spent up to now is 70.2 secs Computing kpt #: 207 total cpu time spent up to now is 70.5 secs Computing kpt #: 208 total cpu time spent up to now is 70.8 secs Computing kpt #: 209 total cpu time spent up to now is 71.2 secs Computing kpt #: 210 total cpu time spent up to now is 71.5 secs Computing kpt #: 211 total cpu time spent up to now is 71.9 secs Computing kpt #: 212 total cpu time spent up to now is 72.2 secs Computing kpt #: 213 total cpu time spent up to now is 72.5 secs Computing kpt #: 214 total cpu time spent up to now is 72.8 secs Computing kpt #: 215 total cpu time spent up to now is 73.1 secs Computing kpt #: 216 total cpu time spent up to now is 73.4 secs Computing kpt #: 217 total cpu time spent up to now is 73.7 secs Computing kpt #: 218 total cpu time spent up to now is 74.0 secs Computing kpt #: 219 total cpu time spent up to now is 74.3 secs Computing kpt #: 220 total cpu time spent up to now is 74.6 secs Computing kpt #: 221 total cpu time spent up to now is 75.0 secs Computing kpt #: 222 total cpu time spent up to now is 75.3 secs Computing kpt #: 223 total cpu time spent up to now is 75.6 secs Computing kpt #: 224 total cpu time spent up to now is 75.9 secs Computing kpt #: 225 total cpu time spent up to now is 76.2 secs Computing kpt #: 226 total cpu time spent up to now is 76.5 secs Computing kpt #: 227 total cpu time spent up to now is 76.8 secs Computing kpt #: 228 total cpu time spent up to now is 77.1 secs Computing kpt #: 229 total cpu time spent up to now is 77.4 secs Computing kpt #: 230 total cpu time spent up to now is 77.8 secs Computing kpt #: 231 total cpu time spent up to now is 78.1 secs Computing kpt #: 232 total cpu time spent up to now is 78.4 secs Computing kpt #: 233 total cpu time spent up to now is 78.7 secs Computing kpt #: 234 total cpu time spent up to now is 79.1 secs Computing kpt #: 235 total cpu time spent up to now is 79.4 secs Computing kpt #: 236 total cpu time spent up to now is 79.8 secs Computing kpt #: 237 total cpu time spent up to now is 80.1 secs Computing kpt #: 238 total cpu time spent up to now is 80.5 secs Computing kpt #: 239 total cpu time spent up to now is 80.8 secs Computing kpt #: 240 total cpu time spent up to now is 81.1 secs Computing kpt #: 241 total cpu time spent up to now is 81.5 secs Computing kpt #: 242 total cpu time spent up to now is 81.8 secs Computing kpt #: 243 total cpu time spent up to now is 82.2 secs Computing kpt #: 244 total cpu time spent up to now is 82.5 secs Computing kpt #: 245 total cpu time spent up to now is 82.9 secs Computing kpt #: 246 total cpu time spent up to now is 83.2 secs Computing kpt #: 247 total cpu time spent up to now is 83.6 secs Computing kpt #: 248 total cpu time spent up to now is 84.0 secs Computing kpt #: 249 total cpu time spent up to now is 84.3 secs Computing kpt #: 250 total cpu time spent up to now is 84.7 secs Computing kpt #: 251 total cpu time spent up to now is 85.0 secs Computing kpt #: 252 total cpu time spent up to now is 85.4 secs Computing kpt #: 253 total cpu time spent up to now is 85.7 secs Computing kpt #: 254 total cpu time spent up to now is 86.1 secs Computing kpt #: 255 total cpu time spent up to now is 86.4 secs Computing kpt #: 256 total cpu time spent up to now is 86.8 secs Computing kpt #: 257 total cpu time spent up to now is 87.1 secs Computing kpt #: 258 total cpu time spent up to now is 87.5 secs Computing kpt #: 259 total cpu time spent up to now is 87.9 secs Computing kpt #: 260 total cpu time spent up to now is 88.3 secs Computing kpt #: 261 total cpu time spent up to now is 88.6 secs Computing kpt #: 262 total cpu time spent up to now is 89.0 secs Computing kpt #: 263 total cpu time spent up to now is 89.4 secs Computing kpt #: 264 total cpu time spent up to now is 89.8 secs Computing kpt #: 265 total cpu time spent up to now is 90.1 secs Computing kpt #: 266 total cpu time spent up to now is 90.5 secs Computing kpt #: 267 total cpu time spent up to now is 90.9 secs Computing kpt #: 268 total cpu time spent up to now is 91.2 secs Computing kpt #: 269 total cpu time spent up to now is 91.5 secs Computing kpt #: 270 total cpu time spent up to now is 91.9 secs Computing kpt #: 271 total cpu time spent up to now is 92.2 secs Computing kpt #: 272 total cpu time spent up to now is 92.5 secs Computing kpt #: 273 total cpu time spent up to now is 92.9 secs Computing kpt #: 274 total cpu time spent up to now is 93.2 secs Computing kpt #: 275 total cpu time spent up to now is 93.6 secs Computing kpt #: 276 total cpu time spent up to now is 93.9 secs Computing kpt #: 277 total cpu time spent up to now is 94.2 secs Computing kpt #: 278 total cpu time spent up to now is 94.5 secs Computing kpt #: 279 total cpu time spent up to now is 94.9 secs Computing kpt #: 280 total cpu time spent up to now is 95.2 secs Computing kpt #: 281 total cpu time spent up to now is 95.5 secs Computing kpt #: 282 total cpu time spent up to now is 95.9 secs Computing kpt #: 283 total cpu time spent up to now is 96.3 secs Computing kpt #: 284 total cpu time spent up to now is 96.6 secs Computing kpt #: 285 total cpu time spent up to now is 97.0 secs Computing kpt #: 286 total cpu time spent up to now is 97.4 secs Computing kpt #: 287 total cpu time spent up to now is 97.7 secs Computing kpt #: 288 total cpu time spent up to now is 98.0 secs Computing kpt #: 289 total cpu time spent up to now is 98.4 secs Computing kpt #: 290 total cpu time spent up to now is 98.7 secs Computing kpt #: 291 total cpu time spent up to now is 99.0 secs Computing kpt #: 292 total cpu time spent up to now is 99.4 secs Computing kpt #: 293 total cpu time spent up to now is 99.7 secs Computing kpt #: 294 total cpu time spent up to now is 100.0 secs Computing kpt #: 295 total cpu time spent up to now is 100.3 secs Computing kpt #: 296 total cpu time spent up to now is 100.6 secs Computing kpt #: 297 total cpu time spent up to now is 101.0 secs Computing kpt #: 298 total cpu time spent up to now is 101.3 secs Computing kpt #: 299 total cpu time spent up to now is 101.6 secs Computing kpt #: 300 total cpu time spent up to now is 101.9 secs Computing kpt #: 301 total cpu time spent up to now is 102.3 secs Computing kpt #: 302 total cpu time spent up to now is 102.6 secs Computing kpt #: 303 total cpu time spent up to now is 102.9 secs Computing kpt #: 304 total cpu time spent up to now is 103.3 secs Computing kpt #: 305 total cpu time spent up to now is 103.6 secs Computing kpt #: 306 total cpu time spent up to now is 103.9 secs Computing kpt #: 307 total cpu time spent up to now is 104.3 secs ethr = 2.38E-08, avg # of iterations = 19.3 total cpu time spent up to now is 104.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2517 PWs) bands (ev): -48.7061 -48.7061 -24.5819 -24.5819 -22.1132 -22.1132 -22.1132 -22.1132 -22.0364 -22.0364 -6.6395 -6.6395 -5.9856 -5.9856 -5.9856 -5.9856 -4.8017 -4.8017 -3.6609 -3.6609 -3.6609 -3.6609 8.0188 8.0188 8.2511 8.2511 8.2511 8.2511 9.4787 9.4787 9.4787 9.4787 9.4946 9.4946 10.0653 10.0653 10.1674 10.1674 10.1674 10.1674 12.0154 12.0154 12.0154 12.0154 12.1443 12.1443 15.8191 15.8191 15.8191 15.8191 k = 0.0000 0.0125-0.0000 ( 2517 PWs) bands (ev): -48.7061 -48.7061 -24.5819 -24.5819 -22.1135 -22.1135 -22.1132 -22.1132 -22.0362 -22.0362 -6.6394 -6.6394 -5.9856 -5.9856 -5.9853 -5.9853 -4.8013 -4.8013 -3.6609 -3.6609 -3.6604 -3.6604 8.0177 8.0177 8.2489 8.2489 8.2507 8.2507 9.4758 9.4758 9.4769 9.4769 9.4923 9.4923 10.0623 10.0623 10.1625 10.1625 10.1660 10.1660 12.0175 12.0175 12.0212 12.0212 12.1482 12.1482 15.8192 15.8192 15.8266 15.8266 k = 0.0000 0.0250-0.0000 ( 2517 PWs) bands (ev): -48.7061 -48.7061 -24.5820 -24.5820 -22.1144 -22.1144 -22.1132 -22.1132 -22.0355 -22.0355 -6.6391 -6.6391 -5.9854 -5.9854 -5.9843 -5.9843 -4.8000 -4.8000 -3.6607 -3.6607 -3.6589 -3.6589 8.0141 8.0141 8.2426 8.2426 8.2497 8.2497 9.4669 9.4669 9.4707 9.4707 9.4858 9.4858 10.0526 10.0526 10.1484 10.1484 10.1617 10.1617 12.0231 12.0231 12.0386 12.0386 12.1605 12.1605 15.8192 15.8192 15.8488 15.8488 k = 0.0000 0.0375-0.0000 ( 2517 PWs) bands (ev): -48.7060 -48.7060 -24.5822 -24.5822 -22.1158 -22.1158 -22.1132 -22.1132 -22.0345 -22.0345 -6.6386 -6.6386 -5.9852 -5.9852 -5.9826 -5.9826 -4.7979 -4.7979 -3.6605 -3.6605 -3.6564 -3.6564 8.0079 8.0079 8.2323 8.2323 8.2479 8.2479 9.4523 9.4523 9.4590 9.4590 9.4767 9.4767 10.0346 10.0346 10.1278 10.1278 10.1549 10.1549 12.0308 12.0308 12.0670 12.0670 12.1822 12.1822 15.8193 15.8193 15.8850 15.8850 k = 0.0000 0.0500-0.0000 ( 2521 PWs) bands (ev): -48.7061 -48.7061 -24.5824 -24.5824 -22.1177 -22.1177 -22.1131 -22.1131 -22.0330 -22.0330 -6.6381 -6.6381 -5.9848 -5.9848 -5.9801 -5.9801 -4.7950 -4.7950 -3.6601 -3.6601 -3.6529 -3.6529 7.9986 7.9986 8.2185 8.2185 8.2454 8.2454 9.4320 9.4320 9.4407 9.4407 9.4661 9.4661 10.0054 10.0054 10.1050 10.1050 10.1461 10.1461 12.0390 12.0390 12.1057 12.1057 12.2143 12.2143 15.8195 15.8195 15.9343 15.9343 k = 0.0000 0.0625-0.0000 ( 2525 PWs) bands (ev): -48.7061 -48.7061 -24.5827 -24.5827 -22.1200 -22.1200 -22.1131 -22.1131 -22.0313 -22.0313 -6.6376 -6.6376 -5.9844 -5.9844 -5.9766 -5.9766 -4.7913 -4.7913 -3.6596 -3.6596 -3.6484 -3.6484 7.9854 7.9854 8.2019 8.2019 8.2422 8.2422 9.4063 9.4063 9.4164 9.4164 9.4540 9.4540 9.9628 9.9628 10.0837 10.0837 10.1357 10.1357 12.0467 12.0467 12.1541 12.1541 12.2568 12.2568 15.8197 15.8197 15.9951 15.9951 k = 0.0000 0.0750-0.0000 ( 2525 PWs) bands (ev): -48.7061 -48.7061 -24.5830 -24.5830 -22.1227 -22.1227 -22.1130 -22.1130 -22.0293 -22.0293 -6.6373 -6.6373 -5.9839 -5.9839 -5.9720 -5.9720 -4.7870 -4.7870 -3.6590 -3.6590 -3.6429 -3.6429 7.9673 7.9673 8.1835 8.1835 8.2383 8.2383 9.3756 9.3756 9.3867 9.3867 9.4401 9.4401 9.9078 9.9078 10.0650 10.0650 10.1242 10.1242 12.0537 12.0537 12.2110 12.2110 12.3091 12.3091 15.8199 15.8199 16.0658 16.0658 k = 0.0000 0.0875-0.0000 ( 2525 PWs) bands (ev): -48.7061 -48.7061 -24.5834 -24.5834 -22.1257 -22.1257 -22.1130 -22.1130 -22.0271 -22.0271 -6.6374 -6.6374 -5.9833 -5.9833 -5.9661 -5.9661 -4.7820 -4.7820 -3.6583 -3.6583 -3.6366 -3.6366 7.9432 7.9432 8.1645 8.1645 8.2338 8.2338 9.3402 9.3402 9.3523 9.3523 9.4241 9.4241 9.8429 9.8429 10.0483 10.0483 10.1120 10.1120 12.0603 12.0603 12.2756 12.2756 12.3701 12.3701 15.8202 15.8202 16.1443 16.1443 k = 0.0000 0.1000-0.0000 ( 2525 PWs) bands (ev): -48.7060 -48.7060 -24.5839 -24.5839 -22.1290 -22.1290 -22.1129 -22.1129 -22.0248 -22.0248 -6.6380 -6.6380 -5.9826 -5.9826 -5.9587 -5.9587 -4.7764 -4.7764 -3.6575 -3.6575 -3.6293 -3.6293 7.9119 7.9119 8.1459 8.1459 8.2287 8.2287 9.3006 9.3006 9.3139 9.3139 9.4063 9.4063 9.7706 9.7706 10.0329 10.0329 10.0997 10.0997 12.0666 12.0666 12.3470 12.3470 12.4387 12.4387 15.8205 15.8205 16.2282 16.2282 k = 0.0000 0.1125-0.0000 ( 2529 PWs) bands (ev): -48.7061 -48.7061 -24.5844 -24.5844 -22.1325 -22.1325 -22.1128 -22.1128 -22.0223 -22.0223 -6.6392 -6.6392 -5.9818 -5.9818 -5.9495 -5.9495 -4.7704 -4.7704 -3.6567 -3.6567 -3.6213 -3.6213 7.8725 7.8725 8.1288 8.1288 8.2230 8.2230 9.2575 9.2575 9.2719 9.2719 9.3867 9.3867 9.6931 9.6931 10.0184 10.0184 10.0873 10.0873 12.0728 12.0728 12.4241 12.4241 12.5137 12.5137 15.8208 15.8208 16.3151 16.3151 k = 0.0000 0.1250-0.0000 ( 2521 PWs) bands (ev): -48.7059 -48.7059 -24.5848 -24.5848 -22.1361 -22.1361 -22.1126 -22.1126 -22.0197 -22.0197 -6.6412 -6.6412 -5.9810 -5.9810 -5.9385 -5.9385 -4.7640 -4.7640 -3.6557 -3.6557 -3.6125 -3.6125 7.8248 7.8248 8.1133 8.1133 8.2168 8.2168 9.2114 9.2114 9.2271 9.2271 9.3654 9.3654 9.6122 9.6122 10.0048 10.0048 10.0752 10.0752 12.0790 12.0790 12.5062 12.5062 12.5941 12.5941 15.8212 15.8212 16.3925 16.3925 k = 0.0000 0.1375-0.0000 ( 2521 PWs) bands (ev): -48.7059 -48.7059 -24.5854 -24.5854 -22.1399 -22.1399 -22.1125 -22.1125 -22.0171 -22.0171 -6.6441 -6.6441 -5.9801 -5.9801 -5.9256 -5.9256 -4.7572 -4.7572 -3.6547 -3.6547 -3.6029 -3.6029 7.7689 7.7689 8.0995 8.0995 8.2100 8.2100 9.1629 9.1629 9.1799 9.1799 9.3427 9.3427 9.5293 9.5293 9.9918 9.9918 10.0633 10.0633 12.0854 12.0854 12.5925 12.5925 12.6792 12.6792 15.8216 15.8216 16.4419 16.4419 k = 0.0000 0.1500-0.0000 ( 2513 PWs) bands (ev): -48.7057 -48.7057 -24.5860 -24.5860 -22.1437 -22.1437 -22.1124 -22.1124 -22.0145 -22.0145 -6.6479 -6.6479 -5.9791 -5.9791 -5.9105 -5.9105 -4.7502 -4.7502 -3.6536 -3.6536 -3.5927 -3.5927 7.7053 7.7053 8.0872 8.0872 8.2027 8.2027 9.1126 9.1126 9.1310 9.1310 9.3186 9.3186 9.4459 9.4459 9.9795 9.9795 10.0519 10.0519 12.0920 12.0920 12.6824 12.6824 12.7680 12.7680 15.8221 15.8221 16.4915 16.4915 k = 0.0000 0.1625-0.0000 ( 2521 PWs) bands (ev): -48.7058 -48.7058 -24.5867 -24.5867 -22.1477 -22.1477 -22.1123 -22.1123 -22.0119 -22.0119 -6.6529 -6.6529 -5.9780 -5.9780 -5.8934 -5.8934 -4.7430 -4.7430 -3.6524 -3.6524 -3.5819 -3.5819 7.6345 7.6345 8.0760 8.0760 8.1950 8.1950 9.0609 9.0609 9.0808 9.0808 9.2934 9.2934 9.3630 9.3630 9.9678 9.9678 10.0408 10.0408 12.0988 12.0988 12.7751 12.7751 12.8600 12.8600 15.8226 15.8226 16.5440 16.5440 k = 0.0000 0.1750-0.0000 ( 2521 PWs) bands (ev): -48.7058 -48.7058 -24.5874 -24.5874 -22.1517 -22.1517 -22.1122 -22.1122 -22.0093 -22.0093 -6.6588 -6.6588 -5.9770 -5.9770 -5.8741 -5.8741 -4.7357 -4.7357 -3.6512 -3.6512 -3.5706 -3.5706 7.5573 7.5573 8.0657 8.0657 8.1870 8.1870 9.0083 9.0083 9.0298 9.0298 9.2673 9.2673 9.2816 9.2816 9.9566 9.9566 10.0302 10.0302 12.1058 12.1058 12.8701 12.8701 12.9545 12.9545 15.8231 15.8231 16.5994 16.5994 k = 0.0000 0.1875-0.0000 ( 2521 PWs) bands (ev): -48.7057 -48.7057 -24.5881 -24.5881 -22.1558 -22.1558 -22.1120 -22.1120 -22.0067 -22.0067 -6.6658 -6.6658 -5.9758 -5.9758 -5.8528 -5.8528 -4.7283 -4.7283 -3.6499 -3.6499 -3.5588 -3.5588 7.4743 7.4743 8.0560 8.0560 8.1786 8.1786 8.9554 8.9554 8.9785 8.9785 9.2023 9.2023 9.2405 9.2405 9.9459 9.9459 10.0200 10.0200 12.1130 12.1130 12.9668 12.9668 13.0509 13.0509 15.8236 15.8236 16.6575 16.6575 k = 0.0000 0.2000-0.0000 ( 2533 PWs) bands (ev): -48.7058 -48.7058 -24.5889 -24.5889 -22.1599 -22.1599 -22.1119 -22.1119 -22.0042 -22.0042 -6.6737 -6.6737 -5.9747 -5.9747 -5.8295 -5.8295 -4.7210 -4.7210 -3.6486 -3.6486 -3.5467 -3.5467 7.3863 7.3863 8.0468 8.0468 8.1699 8.1699 8.9024 8.9024 8.9272 8.9272 9.1258 9.1258 9.2131 9.2131 9.9356 9.9356 10.0102 10.0102 12.1204 12.1204 13.0648 13.0648 13.1486 13.1486 15.8241 15.8241 16.7180 16.7180 k = 0.0000 0.2125-0.0000 ( 2529 PWs) bands (ev): -48.7057 -48.7057 -24.5897 -24.5897 -22.1640 -22.1640 -22.1118 -22.1118 -22.0017 -22.0017 -6.6824 -6.6824 -5.9735 -5.9735 -5.8044 -5.8044 -4.7137 -4.7137 -3.6473 -3.6473 -3.5342 -3.5342 7.2940 7.2940 8.0380 8.0380 8.1610 8.1610 8.8496 8.8496 8.8762 8.8762 9.0524 9.0524 9.1853 9.1853 9.9259 9.9259 10.0009 10.0009 12.1280 12.1280 13.1634 13.1634 13.2472 13.2472 15.8247 15.8247 16.7807 16.7807 k = 0.0000 0.2250-0.0000 ( 2521 PWs) bands (ev): -48.7056 -48.7056 -24.5904 -24.5904 -22.1679 -22.1679 -22.1116 -22.1116 -21.9993 -21.9993 -6.6919 -6.6919 -5.9722 -5.9722 -5.7776 -5.7776 -4.7065 -4.7065 -3.6459 -3.6459 -3.5215 -3.5215 7.1983 7.1983 8.0296 8.0296 8.1520 8.1520 8.7975 8.7975 8.8259 8.8259 8.9823 8.9823 9.1573 9.1573 9.9165 9.9165 9.9919 9.9919 12.1357 12.1357 13.2624 13.2624 13.3462 13.3462 15.8253 15.8253 16.8453 16.8453 k = 0.0000 0.2375-0.0000 ( 2521 PWs) bands (ev): -48.7055 -48.7055 -24.5912 -24.5912 -22.1719 -22.1719 -22.1114 -22.1114 -21.9969 -21.9969 -6.7021 -6.7021 -5.9710 -5.9710 -5.7494 -5.7494 -4.6995 -4.6995 -3.6445 -3.6445 -3.5087 -3.5087 7.1001 7.1001 8.0215 8.0215 8.1429 8.1429 8.7461 8.7461 8.7765 8.7765 8.9157 8.9157 9.1294 9.1294 9.9075 9.9075 9.9833 9.9833 12.1435 12.1435 13.3612 13.3612 13.4451 13.4451 15.8259 15.8259 16.9115 16.9115 k = 0.0000 0.2500-0.0000 ( 2521 PWs) bands (ev): -48.7055 -48.7055 -24.5920 -24.5920 -22.1758 -22.1758 -22.1113 -22.1113 -21.9946 -21.9946 -6.7127 -6.7127 -5.9697 -5.9697 -5.7200 -5.7200 -4.6927 -4.6927 -3.6431 -3.6431 -3.4959 -3.4959 7.0002 7.0002 8.0138 8.0138 8.1338 8.1338 8.6957 8.6957 8.7282 8.7282 8.8526 8.8526 9.1016 9.1016 9.8989 9.8989 9.9751 9.9751 12.1513 12.1513 13.4593 13.4593 13.5434 13.5434 15.8265 15.8265 16.9789 16.9789 k = 0.0000 0.2625-0.0000 ( 2521 PWs) bands (ev): -48.7054 -48.7054 -24.5928 -24.5928 -22.1796 -22.1796 -22.1111 -22.1111 -21.9924 -21.9924 -6.7238 -6.7238 -5.9685 -5.9685 -5.6896 -5.6896 -4.6861 -4.6861 -3.6417 -3.6417 -3.4830 -3.4830 6.8994 6.8994 8.0065 8.0065 8.1247 8.1247 8.6466 8.6466 8.6812 8.6812 8.7931 8.7931 9.0741 9.0741 9.8907 9.8907 9.9673 9.9673 12.1591 12.1591 13.5564 13.5564 13.6408 13.6408 15.8271 15.8271 17.0472 17.0472 k = 0.0000 0.2750-0.0000 ( 2533 PWs) bands (ev): -48.7055 -48.7055 -24.5937 -24.5937 -22.1834 -22.1834 -22.1110 -22.1110 -21.9903 -21.9903 -6.7350 -6.7350 -5.9672 -5.9672 -5.6584 -5.6584 -4.6798 -4.6798 -3.6403 -3.6403 -3.4703 -3.4703 6.7985 6.7985 7.9996 7.9996 8.1158 8.1158 8.5988 8.5988 8.6357 8.6357 8.7371 8.7371 9.0471 9.0471 9.8828 9.8828 9.9598 9.9598 12.1670 12.1670 13.6521 13.6521 13.7368 13.7368 15.8277 15.8277 17.1161 17.1161 k = 0.0000 0.2875-0.0000 ( 2533 PWs) bands (ev): -48.7055 -48.7055 -24.5944 -24.5944 -22.1870 -22.1870 -22.1109 -22.1109 -21.9883 -21.9883 -6.7464 -6.7464 -5.9660 -5.9660 -5.6269 -5.6269 -4.6738 -4.6738 -3.6389 -3.6389 -3.4577 -3.4577 6.6985 6.6985 7.9931 7.9931 8.1070 8.1070 8.5526 8.5526 8.5919 8.5919 8.6845 8.6845 9.0207 9.0207 9.8754 9.8754 9.9527 9.9527 12.1747 12.1747 13.7459 13.7459 13.8310 13.8310 15.8284 15.8284 17.1852 17.1852 k = 0.0000 0.3000-0.0000 ( 2525 PWs) bands (ev): -48.7053 -48.7053 -24.5952 -24.5952 -22.1904 -22.1904 -22.1107 -22.1107 -21.9863 -21.9863 -6.7578 -6.7578 -5.9648 -5.9648 -5.5951 -5.5951 -4.6680 -4.6680 -3.6375 -3.6375 -3.4455 -3.4455 6.6001 6.6001 7.9871 7.9871 8.0985 8.0985 8.5080 8.5080 8.5498 8.5498 8.6352 8.6352 8.9951 8.9951 9.8683 9.8683 9.9460 9.9460 12.1824 12.1824 13.8374 13.8374 13.9229 13.9229 15.8290 15.8290 17.2541 17.2541 k = 0.0000 0.3125-0.0000 ( 2521 PWs) bands (ev): -48.7052 -48.7052 -24.5959 -24.5959 -22.1937 -22.1937 -22.1106 -22.1106 -21.9844 -21.9844 -6.7690 -6.7690 -5.9636 -5.9636 -5.5635 -5.5635 -4.6626 -4.6626 -3.6362 -3.6362 -3.4335 -3.4335 6.5039 6.5039 7.9817 7.9817 8.0903 8.0903 8.4651 8.4651 8.5097 8.5097 8.5892 8.5892 8.9704 8.9704 9.8616 9.8616 9.9397 9.9397 12.1898 12.1898 13.9262 13.9262 14.0122 14.0122 15.8296 15.8296 17.3223 17.3223 k = 0.0000 0.3250-0.0000 ( 2521 PWs) bands (ev): -48.7052 -48.7052 -24.5966 -24.5966 -22.1969 -22.1969 -22.1104 -22.1104 -21.9827 -21.9827 -6.7800 -6.7800 -5.9625 -5.9625 -5.5322 -5.5322 -4.6574 -4.6574 -3.6349 -3.6349 -3.4220 -3.4220 6.4107 6.4107 7.9769 7.9769 8.0826 8.0826 8.4240 8.4240 8.4715 8.4715 8.5463 8.5463 8.9467 8.9467 9.8553 9.8553 9.9338 9.9338 12.1971 12.1971 14.0118 14.0118 14.0983 14.0983 15.8302 15.8302 17.3895 17.3895 k = 0.0000 0.3375-0.0000 ( 2517 PWs) bands (ev): -48.7051 -48.7051 -24.5973 -24.5973 -22.1999 -22.1999 -22.1103 -22.1103 -21.9811 -21.9811 -6.7907 -6.7907 -5.9614 -5.9614 -5.5015 -5.5015 -4.6527 -4.6527 -3.6337 -3.6337 -3.4109 -3.4109 6.3211 6.3211 7.9727 7.9727 8.0752 8.0752 8.3849 8.3849 8.4355 8.4355 8.5066 8.5066 8.9242 8.9242 9.8494 9.8494 9.9283 9.9283 12.2041 12.2041 14.0939 14.0939 14.1809 14.1809 15.8308 15.8308 17.4552 17.4552 k = 0.0000 0.3500-0.0000 ( 2525 PWs) bands (ev): -48.7051 -48.7051 -24.5980 -24.5980 -22.2027 -22.2027 -22.1102 -22.1102 -21.9796 -21.9796 -6.8009 -6.8009 -5.9603 -5.9603 -5.4718 -5.4718 -4.6482 -4.6482 -3.6325 -3.6325 -3.4004 -3.4004 6.2357 6.2357 7.9693 7.9693 8.0684 8.0684 8.3477 8.3477 8.4016 8.4016 8.4700 8.4700 8.9029 8.9029 9.8440 9.8440 9.9231 9.9231 12.2107 12.2107 14.1721 14.1721 14.2595 14.2595 15.8314 15.8314 17.5190 17.5190 k = 0.0000 0.3625-0.0000 ( 2533 PWs) bands (ev): -48.7052 -48.7052 -24.5987 -24.5987 -22.2054 -22.2054 -22.1101 -22.1101 -21.9781 -21.9781 -6.8106 -6.8106 -5.9593 -5.9593 -5.4433 -5.4433 -4.6442 -4.6442 -3.6314 -3.6314 -3.3905 -3.3905 6.1551 6.1551 7.9666 7.9666 8.0621 8.0621 8.3126 8.3126 8.3699 8.3699 8.4364 8.4364 8.8829 8.8829 9.8389 9.8389 9.9184 9.9184 12.2171 12.2171 14.2459 14.2459 14.3338 14.3338 15.8320 15.8320 17.5803 17.5803 k = 0.0000 0.3750-0.0000 ( 2545 PWs) bands (ev): -48.7053 -48.7053 -24.5994 -24.5994 -22.2079 -22.2079 -22.1101 -22.1101 -21.9768 -21.9768 -6.8197 -6.8197 -5.9584 -5.9584 -5.4163 -5.4163 -4.6405 -4.6405 -3.6304 -3.6304 -3.3813 -3.3813 6.0797 6.0797 7.9648 7.9648 8.0565 8.0565 8.2796 8.2796 8.3406 8.3406 8.4057 8.4057 8.8644 8.8644 9.8343 9.8343 9.9140 9.9140 12.2230 12.2230 14.3149 14.3149 14.4032 14.4032 15.8326 15.8326 17.6387 17.6387 k = 0.0000 0.3875-0.0000 ( 2537 PWs) bands (ev): -48.7052 -48.7052 -24.5999 -24.5999 -22.2101 -22.2101 -22.1100 -22.1100 -21.9757 -21.9757 -6.8282 -6.8282 -5.9576 -5.9576 -5.3909 -5.3909 -4.6371 -4.6371 -3.6294 -3.6294 -3.3728 -3.3728 6.0101 6.0101 7.9638 7.9638 8.0515 8.0515 8.2487 8.2487 8.3136 8.3136 8.3780 8.3780 8.8475 8.8475 9.8300 9.8300 9.9101 9.9101 12.2285 12.2285 14.3787 14.3787 14.4675 14.4675 15.8331 15.8331 17.6938 17.6938 k = 0.0000 0.4000-0.0000 ( 2541 PWs) bands (ev): -48.7052 -48.7052 -24.6004 -24.6004 -22.2121 -22.2121 -22.1099 -22.1099 -21.9746 -21.9746 -6.8359 -6.8359 -5.9568 -5.9568 -5.3675 -5.3675 -4.6341 -4.6341 -3.6285 -3.6285 -3.3650 -3.3650 5.9467 5.9467 7.9636 7.9636 8.0472 8.0472 8.2201 8.2201 8.2891 8.2891 8.3533 8.3533 8.8321 8.8321 9.8263 9.8263 9.9066 9.9066 12.2336 12.2336 14.4370 14.4370 14.5262 14.5262 15.8336 15.8336 17.7450 17.7450 k = 0.0000 0.4125-0.0000 ( 2533 PWs) bands (ev): -48.7051 -48.7051 -24.6008 -24.6008 -22.2139 -22.2139 -22.1098 -22.1098 -21.9737 -21.9737 -6.8428 -6.8428 -5.9561 -5.9561 -5.3463 -5.3463 -4.6315 -4.6315 -3.6277 -3.6277 -3.3581 -3.3581 5.8898 5.8898 7.9644 7.9644 8.0435 8.0435 8.1938 8.1938 8.2671 8.2671 8.3315 8.3315 8.8184 8.8184 9.8229 9.8229 9.9035 9.9035 12.2381 12.2381 14.4894 14.4894 14.5790 14.5790 15.8341 15.8341 17.7886 17.7886 k = 0.0000 0.4250-0.0000 ( 2533 PWs) bands (ev): -48.7050 -48.7050 -24.6012 -24.6012 -22.2155 -22.2155 -22.1097 -22.1097 -21.9728 -21.9728 -6.8489 -6.8489 -5.9555 -5.9555 -5.3274 -5.3274 -4.6292 -4.6292 -3.6270 -3.6270 -3.3520 -3.3520 5.8398 5.8398 7.9660 7.9660 8.0406 8.0406 8.1700 8.1700 8.2477 8.2477 8.3126 8.3126 8.8063 8.8063 9.8200 9.8200 9.9008 9.9008 12.2421 12.2421 14.5356 14.5356 14.6254 14.6254 15.8345 15.8345 17.8237 17.8237 k = 0.0000 0.4375-0.0000 ( 2533 PWs) bands (ev): -48.7050 -48.7050 -24.6016 -24.6016 -22.2168 -22.2168 -22.1096 -22.1096 -21.9721 -21.9721 -6.8542 -6.8542 -5.9549 -5.9549 -5.3111 -5.3111 -4.6273 -4.6273 -3.6264 -3.6264 -3.3468 -3.3468 5.7970 5.7970 7.9683 7.9683 8.0382 8.0382 8.1488 8.1488 8.2310 8.2310 8.2966 8.2966 8.7961 8.7961 9.8175 9.8175 9.8985 9.8985 12.2456 12.2456 14.5752 14.5752 14.6653 14.6653 15.8348 15.8348 17.8538 17.8538 k = 0.0000 0.4500-0.0000 ( 2528 PWs) bands (ev): -48.7049 -48.7049 -24.6018 -24.6018 -22.2179 -22.2179 -22.1096 -22.1096 -21.9715 -21.9715 -6.8585 -6.8585 -5.9545 -5.9545 -5.2976 -5.2976 -4.6257 -4.6257 -3.6259 -3.6259 -3.3424 -3.3424 5.7616 5.7616 7.9712 7.9712 8.0365 8.0365 8.1303 8.1303 8.2171 8.2171 8.2835 8.2835 8.7877 8.7877 9.8155 9.8155 9.8966 9.8966 12.2484 12.2484 14.6080 14.6080 14.6984 14.6984 15.8352 15.8352 17.8787 17.8787 k = 0.0000 0.4625-0.0000 ( 2528 PWs) bands (ev): -48.7049 -48.7049 -24.6020 -24.6020 -22.2187 -22.2187 -22.1095 -22.1095 -21.9711 -21.9711 -6.8619 -6.8619 -5.9542 -5.9542 -5.2869 -5.2869 -4.6245 -4.6245 -3.6256 -3.6256 -3.3391 -3.3391 5.7339 5.7339 7.9743 7.9743 8.0352 8.0352 8.1151 8.1151 8.2061 8.2061 8.2733 8.2733 8.7811 8.7811 9.8139 9.8139 9.8951 9.8951 12.2506 12.2506 14.6338 14.6338 14.7243 14.7243 15.8354 15.8354 17.8983 17.8983 k = 0.0000 0.4750-0.0000 ( 2544 PWs) bands (ev): -48.7051 -48.7051 -24.6023 -24.6023 -22.2194 -22.2194 -22.1096 -22.1096 -21.9708 -21.9708 -6.8643 -6.8643 -5.9539 -5.9539 -5.2791 -5.2791 -4.6237 -4.6237 -3.6253 -3.6253 -3.3367 -3.3367 5.7139 5.7139 7.9772 7.9772 8.0344 8.0344 8.1034 8.1034 8.1982 8.1982 8.2660 8.2660 8.7763 8.7763 9.8128 9.8128 9.8941 9.8941 12.2522 12.2522 14.6523 14.6523 14.7430 14.7430 15.8356 15.8356 17.9124 17.9124 k = 0.0000 0.4875-0.0000 ( 2552 PWs) bands (ev): -48.7052 -48.7052 -24.6024 -24.6024 -22.2198 -22.2198 -22.1096 -22.1096 -21.9706 -21.9706 -6.8658 -6.8658 -5.9538 -5.9538 -5.2745 -5.2745 -4.6232 -4.6232 -3.6251 -3.6251 -3.3352 -3.3352 5.7019 5.7019 7.9793 7.9793 8.0340 8.0340 8.0961 8.0961 8.1934 8.1934 8.2617 8.2617 8.7735 8.7735 9.8121 9.8121 9.8935 9.8935 12.2532 12.2532 14.6635 14.6635 14.7542 14.7542 15.8357 15.8357 17.9209 17.9210 k = 0.0000 0.5000-0.0000 ( 2560 PWs) bands (ev): -48.7053 -48.7053 -24.6025 -24.6025 -22.2200 -22.2200 -22.1096 -22.1096 -21.9706 -21.9706 -6.8663 -6.8663 -5.9537 -5.9537 -5.2729 -5.2729 -4.6230 -4.6230 -3.6251 -3.6251 -3.3347 -3.3347 5.6979 5.6979 7.9801 7.9801 8.0338 8.0338 8.0936 8.0936 8.1917 8.1917 8.2602 8.2602 8.7725 8.7725 9.8119 9.8119 9.8933 9.8933 12.2535 12.2535 14.6672 14.6672 14.7580 14.7580 15.8358 15.8358 17.9238 17.9238 k = 0.0000 0.5000-0.0000 ( 2560 PWs) bands (ev): -48.7053 -48.7053 -24.6025 -24.6025 -22.2200 -22.2200 -22.1096 -22.1096 -21.9706 -21.9706 -6.8663 -6.8663 -5.9537 -5.9537 -5.2729 -5.2729 -4.6230 -4.6230 -3.6251 -3.6251 -3.3347 -3.3347 5.6979 5.6979 7.9801 7.9801 8.0338 8.0338 8.0936 8.0936 8.1917 8.1917 8.2602 8.2602 8.7725 8.7725 9.8119 9.8119 9.8933 9.8933 12.2535 12.2535 14.6672 14.6672 14.7580 14.7580 15.8358 15.8358 17.9238 17.9238 k = 0.0125 0.5000-0.0000 ( 2552 PWs) bands (ev): -48.7052 -48.7052 -24.6025 -24.6025 -22.2199 -22.2199 -22.1097 -22.1097 -21.9706 -21.9706 -6.8654 -6.8654 -5.9533 -5.9533 -5.2739 -5.2739 -4.6225 -4.6225 -3.6248 -3.6248 -3.3350 -3.3350 5.6979 5.6979 7.9649 7.9649 8.0219 8.0219 8.0943 8.0943 8.1905 8.1905 8.2802 8.2802 8.7781 8.7781 9.8080 9.8080 9.8891 9.8891 12.2586 12.2586 14.6674 14.6674 14.7582 14.7582 15.8412 15.8412 17.9253 17.9253 k = 0.0250 0.5000-0.0000 ( 2536 PWs) bands (ev): -48.7050 -48.7050 -24.6025 -24.6025 -22.2197 -22.2197 -22.1098 -22.1098 -21.9707 -21.9707 -6.8626 -6.8626 -5.9518 -5.9518 -5.2766 -5.2766 -4.6209 -4.6209 -3.6240 -3.6240 -3.3356 -3.3356 5.6978 5.6978 7.9143 7.9143 8.0100 8.0100 8.0924 8.0924 8.1868 8.1868 8.3247 8.3247 8.7952 8.7952 9.7963 9.7963 9.8771 9.8771 12.2737 12.2737 14.6679 14.6679 14.7587 14.7587 15.8573 15.8573 17.9299 17.9299 k = 0.0375 0.5000-0.0000 ( 2532 PWs) bands (ev): -48.7049 -48.7049 -24.6026 -24.6026 -22.2195 -22.2195 -22.1101 -22.1101 -21.9709 -21.9709 -6.8579 -6.8579 -5.9494 -5.9494 -5.2812 -5.2812 -4.6183 -4.6183 -3.6228 -3.6228 -3.3368 -3.3368 5.6975 5.6975 7.8429 7.8429 8.0034 8.0034 8.0866 8.0866 8.1807 8.1807 8.3747 8.3747 8.8242 8.8242 9.7765 9.7765 9.8582 9.8582 12.2986 12.2986 14.6687 14.6687 14.7597 14.7597 15.8835 15.8835 17.9376 17.9376 k = 0.0500 0.5000-0.0000 ( 2532 PWs) bands (ev): -48.7049 -48.7049 -24.6028 -24.6028 -22.2192 -22.2192 -22.1106 -22.1106 -21.9712 -21.9712 -6.8514 -6.8514 -5.9460 -5.9460 -5.2875 -5.2875 -4.6148 -4.6148 -3.6210 -3.6210 -3.3384 -3.3384 5.6973 5.6973 7.7632 7.7632 7.9974 7.9974 8.0772 8.0772 8.1722 8.1722 8.4213 8.4213 8.8654 8.8654 9.7484 9.7484 9.8341 9.8341 12.3327 12.3327 14.6699 14.6699 14.7611 14.7611 15.9191 15.9191 17.9482 17.9482 k = 0.0625 0.5000-0.0000 ( 2532 PWs) bands (ev): -48.7049 -48.7049 -24.6030 -24.6030 -22.2188 -22.2188 -22.1113 -22.1113 -21.9716 -21.9716 -6.8431 -6.8431 -5.9417 -5.9417 -5.2954 -5.2954 -4.6104 -4.6104 -3.6188 -3.6188 -3.3404 -3.3404 5.6969 5.6969 7.6798 7.6798 7.9907 7.9907 8.0639 8.0639 8.1615 8.1615 8.4618 8.4618 8.9178 8.9178 9.7120 9.7120 9.8065 9.8065 12.3755 12.3755 14.6715 14.6715 14.7630 14.7630 15.9630 15.9630 17.9616 17.9616 k = 0.0750 0.5000-0.0000 ( 2530 PWs) bands (ev): -48.7048 -48.7048 -24.6033 -24.6033 -22.2184 -22.2184 -22.1120 -22.1120 -21.9721 -21.9721 -6.8331 -6.8331 -5.9365 -5.9365 -5.3048 -5.3048 -4.6052 -4.6052 -3.6161 -3.6161 -3.3427 -3.3427 5.6964 5.6964 7.5948 7.5948 7.9830 7.9830 8.0460 8.0460 8.1489 8.1489 8.4962 8.4962 8.9798 8.9798 9.6683 9.6683 9.7764 9.7764 12.4263 12.4263 14.6735 14.6735 14.7655 14.7655 16.0140 16.0140 17.9778 17.9778 k = 0.0875 0.5000-0.0000 ( 2522 PWs) bands (ev): -48.7047 -48.7047 -24.6036 -24.6036 -22.2179 -22.2179 -22.1128 -22.1128 -21.9727 -21.9727 -6.8213 -6.8213 -5.9304 -5.9304 -5.3156 -5.3156 -4.5994 -4.5994 -3.6129 -3.6129 -3.3455 -3.3455 5.6959 5.6959 7.5091 7.5091 7.9742 7.9742 8.0226 8.0226 8.1348 8.1348 8.5256 8.5256 9.0490 9.0490 9.6189 9.6189 9.7447 9.7447 12.4843 12.4843 14.6759 14.6759 14.7687 14.7687 16.0706 16.0706 17.9967 17.9967 k = 0.1000 0.5000-0.0000 ( 2518 PWs) bands (ev): -48.7046 -48.7046 -24.6039 -24.6039 -22.2173 -22.2173 -22.1138 -22.1138 -21.9733 -21.9733 -6.8080 -6.8080 -5.9235 -5.9235 -5.3276 -5.3276 -4.5930 -4.5930 -3.6093 -3.6093 -3.3486 -3.3486 5.6953 5.6953 7.4236 7.4236 7.9643 7.9643 7.9928 7.9928 8.1195 8.1195 8.5515 8.5515 9.1231 9.1231 9.5657 9.5657 9.7117 9.7117 12.5489 12.5489 14.6787 14.6787 14.7728 14.7728 16.1315 16.1315 18.0181 18.0181 k = 0.1125 0.5000-0.0000 ( 2524 PWs) bands (ev): -48.7047 -48.7047 -24.6044 -24.6044 -22.2167 -22.2167 -22.1149 -22.1149 -21.9740 -21.9740 -6.7930 -6.7930 -5.9159 -5.9159 -5.3406 -5.3406 -4.5861 -4.5861 -3.6054 -3.6054 -3.3519 -3.3519 5.6946 5.6946 7.3387 7.3387 7.9533 7.9533 7.9558 7.9558 8.1034 8.1034 8.5753 8.5753 9.2002 9.2002 9.5108 9.5108 9.6779 9.6779 12.6192 12.6192 14.6818 14.6818 14.7779 14.7779 16.1950 16.1950 18.0420 18.0420 k = 0.1250 0.5000-0.0000 ( 2524 PWs) bands (ev): -48.7047 -48.7047 -24.6048 -24.6048 -22.2159 -22.2159 -22.1161 -22.1161 -21.9748 -21.9748 -6.7767 -6.7767 -5.9074 -5.9074 -5.3547 -5.3547 -4.5789 -4.5789 -3.6010 -3.6010 -3.3555 -3.3555 5.6939 5.6939 7.2546 7.2546 7.9107 7.9107 7.9414 7.9414 8.0865 8.0865 8.5978 8.5978 9.2788 9.2788 9.4560 9.4560 9.6436 9.6436 12.6945 12.6945 14.6853 14.6853 14.7843 14.7843 16.2598 16.2598 18.0682 18.0682 k = 0.1375 0.5000-0.0000 ( 2528 PWs) bands (ev): -48.7047 -48.7047 -24.6054 -24.6054 -22.2152 -22.2152 -22.1174 -22.1174 -21.9757 -21.9757 -6.7589 -6.7589 -5.8983 -5.8983 -5.3695 -5.3695 -4.5713 -4.5713 -3.5964 -3.5964 -3.3593 -3.3593 5.6931 5.6931 7.1718 7.1718 7.8573 7.8573 7.9286 7.9286 8.0690 8.0690 8.6196 8.6196 9.3579 9.3579 9.4030 9.4030 9.6093 9.6093 12.7741 12.7741 14.6889 14.6889 14.7923 14.7923 16.3246 16.3246 18.0965 18.0965 k = 0.1500 0.5000-0.0000 ( 2528 PWs) bands (ev): -48.7046 -48.7046 -24.6059 -24.6059 -22.2144 -22.2144 -22.1188 -22.1188 -21.9766 -21.9766 -6.7398 -6.7398 -5.8886 -5.8886 -5.3849 -5.3849 -4.5636 -4.5636 -3.5914 -3.5914 -3.3632 -3.3632 5.6922 5.6922 7.0903 7.0903 7.7954 7.7954 7.9149 7.9149 8.0507 8.0507 8.6412 8.6412 9.3531 9.3531 9.4365 9.4365 9.5753 9.5753 12.8575 12.8575 14.6927 14.6927 14.8019 14.8019 16.3882 16.3882 18.1268 18.1268 k = 0.1625 0.5000-0.0000 ( 2530 PWs) bands (ev): -48.7046 -48.7046 -24.6065 -24.6065 -22.2136 -22.2136 -22.1202 -22.1202 -21.9776 -21.9776 -6.7196 -6.7196 -5.8783 -5.8783 -5.4009 -5.4009 -4.5557 -4.5557 -3.5862 -3.5862 -3.3673 -3.3673 5.6913 5.6913 7.0105 7.0105 7.7253 7.7253 7.9005 7.9005 8.0316 8.0316 8.6629 8.6629 9.3074 9.3074 9.5123 9.5123 9.5437 9.5437 12.9439 12.9439 14.6964 14.6964 14.8136 14.8136 16.4496 16.4496 18.1589 18.1589 k = 0.1750 0.5000-0.0000 ( 2530 PWs) bands (ev): -48.7046 -48.7046 -24.6071 -24.6071 -22.2128 -22.2128 -22.1216 -22.1216 -21.9786 -21.9786 -6.6983 -6.6983 -5.8676 -5.8676 -5.4173 -5.4173 -4.5477 -4.5477 -3.5808 -3.5808 -3.3713 -3.3713 5.6903 5.6903 6.9325 6.9325 7.6473 7.6473 7.8855 7.8855 8.0118 8.0118 8.6847 8.6847 9.2665 9.2665 9.5078 9.5078 9.5919 9.5919 13.0328 13.0328 14.7001 14.7001 14.8276 14.8276 16.5079 16.5079 18.1925 18.1925 k = 0.1875 0.5000-0.0000 ( 2530 PWs) bands (ev): -48.7045 -48.7045 -24.6077 -24.6077 -22.2119 -22.2119 -22.1230 -22.1230 -21.9797 -21.9797 -6.6760 -6.6760 -5.8565 -5.8565 -5.4339 -5.4339 -4.5396 -4.5396 -3.5752 -3.5752 -3.3753 -3.3753 5.6893 5.6893 6.8564 6.8564 7.5622 7.5622 7.8699 7.8699 7.9912 7.9912 8.7067 8.7067 9.2307 9.2307 9.4767 9.4767 9.6658 9.6658 13.1236 13.1236 14.7035 14.7035 14.8439 14.8439 16.5628 16.5628 18.2275 18.2275 k = 0.2000 0.5000-0.0000 ( 2530 PWs) bands (ev): -48.7045 -48.7045 -24.6083 -24.6083 -22.2111 -22.2111 -22.1245 -22.1245 -21.9808 -21.9808 -6.6529 -6.6529 -5.8452 -5.8452 -5.4506 -5.4506 -4.5316 -4.5316 -3.5695 -3.5695 -3.3792 -3.3792 5.6882 5.6882 6.7824 6.7824 7.4708 7.4708 7.8539 7.8539 7.9699 7.9699 8.7289 8.7289 9.1999 9.1999 9.4465 9.4465 9.7377 9.7377 13.2159 13.2159 14.7067 14.7067 14.8627 14.8627 16.6136 16.6136 18.2637 18.2637 k = 0.2125 0.5000-0.0000 ( 2534 PWs) bands (ev): -48.7045 -48.7045 -24.6090 -24.6090 -22.2102 -22.2102 -22.1260 -22.1260 -21.9820 -21.9820 -6.6290 -6.6290 -5.8337 -5.8337 -5.4674 -5.4674 -4.5236 -4.5236 -3.5638 -3.5638 -3.3830 -3.3830 5.6871 5.6871 6.7106 6.7106 7.3742 7.3742 7.8375 7.8375 7.9480 7.9480 8.7513 8.7513 9.1739 9.1739 9.4178 9.4178 9.8072 9.8072 13.3091 13.3091 14.7097 14.7097 14.8840 14.8840 16.6602 16.6602 18.3008 18.3008 k = 0.2250 0.5000-0.0000 ( 2534 PWs) bands (ev): -48.7044 -48.7044 -24.6097 -24.6097 -22.2094 -22.2094 -22.1274 -22.1274 -21.9832 -21.9832 -6.6046 -6.6046 -5.8222 -5.8222 -5.4842 -5.4842 -4.5156 -4.5156 -3.5580 -3.5580 -3.3866 -3.3866 5.6859 5.6859 6.6411 6.6411 7.2735 7.2735 7.8209 7.8209 7.9256 7.9256 8.7738 8.7738 9.1523 9.1523 9.3906 9.3906 9.8739 9.8739 13.4027 13.4027 14.7125 14.7125 14.9079 14.9079 16.7026 16.7026 18.3386 18.3386 k = 0.2375 0.5000-0.0000 ( 2534 PWs) bands (ev): -48.7044 -48.7044 -24.6104 -24.6104 -22.2086 -22.2086 -22.1288 -22.1288 -21.9844 -21.9844 -6.5797 -6.5797 -5.8108 -5.8108 -5.5007 -5.5007 -4.5076 -4.5076 -3.5523 -3.5523 -3.3899 -3.3899 5.6846 5.6846 6.5740 6.5740 7.1698 7.1698 7.8042 7.8042 7.9028 7.9028 8.7964 8.7964 9.1348 9.1348 9.3649 9.3649 9.9376 9.9376 13.4963 13.4963 14.7150 14.7150 14.9341 14.9341 16.7408 16.7408 18.3768 18.3768 k = 0.2500 0.5000-0.0000 ( 2546 PWs) bands (ev): -48.7045 -48.7045 -24.6111 -24.6111 -22.2079 -22.2079 -22.1302 -22.1302 -21.9857 -21.9857 -6.5545 -6.5545 -5.7996 -5.7996 -5.5169 -5.5169 -4.4998 -4.4998 -3.5466 -3.5466 -3.3929 -3.3929 5.6832 5.6832 6.5095 6.5095 7.0644 7.0644 7.7874 7.7874 7.8798 7.8798 8.8189 8.8189 9.1208 9.1208 9.3410 9.3410 9.9981 9.9981 13.5895 13.5895 14.7174 14.7174 14.9627 14.9627 16.7749 16.7749 18.4153 18.4153 k = 0.2625 0.5000-0.0000 ( 2542 PWs) bands (ev): -48.7044 -48.7044 -24.6118 -24.6118 -22.2072 -22.2072 -22.1315 -22.1315 -21.9869 -21.9869 -6.5290 -6.5290 -5.7888 -5.7888 -5.5328 -5.5328 -4.4920 -4.4920 -3.5411 -3.5411 -3.3955 -3.3955 5.6818 5.6818 6.4475 6.4475 6.9582 6.9582 7.7707 7.7707 7.8567 7.8567 8.8413 8.8413 9.1098 9.1098 9.3186 9.3186 10.0554 10.0554 13.6817 13.6817 14.7196 14.7196 14.9934 14.9934 16.8052 16.8052 18.4538 18.4538 k = 0.2750 0.5000-0.0000 ( 2534 PWs) bands (ev): -48.7042 -48.7042 -24.6125 -24.6125 -22.2065 -22.2065 -22.1326 -22.1326 -21.9882 -21.9882 -6.5035 -6.5035 -5.7785 -5.7785 -5.5481 -5.5481 -4.4843 -4.4843 -3.5358 -3.5358 -3.3978 -3.3978 5.6803 5.6803 6.3883 6.3883 6.8522 6.8522 7.7542 7.7542 7.8336 7.8336 8.8635 8.8635 9.1014 9.1014 9.2979 9.2979 10.1094 10.1094 13.7726 13.7726 14.7217 14.7217 15.0260 15.0260 16.8320 16.8320 18.4920 18.4920 k = 0.2875 0.5000-0.0000 ( 2534 PWs) bands (ev): -48.7042 -48.7042 -24.6132 -24.6132 -22.2060 -22.2060 -22.1337 -22.1337 -21.9895 -21.9895 -6.4780 -6.4780 -5.7689 -5.7689 -5.5627 -5.5627 -4.4767 -4.4767 -3.5307 -3.5307 -3.3996 -3.3996 5.6786 5.6786 6.3318 6.3318 6.7475 6.7475 7.7379 7.7379 7.8107 7.8107 8.8853 8.8853 9.0952 9.0952 9.2788 9.2788 10.1600 10.1600 13.8617 13.8617 14.7237 14.7237 15.0603 15.0603 16.8554 16.8554 18.5297 18.5297 k = 0.3000 0.5000-0.0000 ( 2534 PWs) bands (ev): -48.7041 -48.7041 -24.6138 -24.6138 -22.2055 -22.2055 -22.1347 -22.1347 -21.9907 -21.9907 -6.4527 -6.4527 -5.7602 -5.7602 -5.5766 -5.5766 -4.4692 -4.4692 -3.5258 -3.5258 -3.4009 -3.4009 5.6767 5.6767 6.2782 6.2782 6.6448 6.6448 7.7220 7.7220 7.7883 7.7883 8.9066 8.9066 9.0909 9.0909 9.2613 9.2613 10.2071 10.2071 13.9486 13.9486 14.7256 14.7256 15.0960 15.0960 16.8758 16.8758 18.5667 18.5667 k = 0.3125 0.5000-0.0000 ( 2532 PWs) bands (ev): -48.7041 -48.7041 -24.6145 -24.6145 -22.2050 -22.2050 -22.1355 -22.1355 -21.9920 -21.9920 -6.4278 -6.4278 -5.7526 -5.7526 -5.5895 -5.5895 -4.4618 -4.4618 -3.5213 -3.5213 -3.4018 -3.4018 5.6746 5.6746 6.2274 6.2274 6.5450 6.5450 7.7066 7.7066 7.7664 7.7664 8.9273 8.9273 9.0880 9.0880 9.2452 9.2452 10.2509 10.2509 14.0329 14.0329 14.7274 14.7274 15.1326 15.1326 16.8934 16.8934 18.6027 18.6027 k = 0.3250 0.5000-0.0000 ( 2530 PWs) bands (ev): -48.7040 -48.7040 -24.6151 -24.6151 -22.2047 -22.2047 -22.1363 -22.1363 -21.9932 -21.9932 -6.4033 -6.4033 -5.7462 -5.7462 -5.6012 -5.6012 -4.4545 -4.4545 -3.5171 -3.5171 -3.4023 -3.4023 5.6722 5.6722 6.1797 6.1797 6.4488 6.4488 7.6917 7.6917 7.7451 7.7451 8.9472 8.9472 9.0864 9.0864 9.2306 9.2306 10.2913 10.2913 14.1140 14.1140 14.7292 14.7292 15.1699 15.1699 16.9086 16.9086 18.6376 18.6376 k = 0.3375 0.5000-0.0000 ( 2530 PWs) bands (ev): -48.7039 -48.7039 -24.6157 -24.6157 -22.2044 -22.2044 -22.1369 -22.1369 -21.9944 -21.9944 -6.3794 -6.3794 -5.7413 -5.7413 -5.6117 -5.6117 -4.4475 -4.4475 -3.5132 -3.5132 -3.4023 -3.4023 5.6695 5.6695 6.1350 6.1350 6.3571 6.3571 7.6774 7.6774 7.7248 7.7248 8.9664 8.9664 9.0858 9.0858 9.2174 9.2174 10.3283 10.3283 14.1917 14.1917 14.7309 14.7309 15.2074 15.2074 16.9216 16.9216 18.6710 18.6710 k = 0.3500 0.5000-0.0000 ( 2526 PWs) bands (ev): -48.7038 -48.7038 -24.6163 -24.6163 -22.2042 -22.2042 -22.1374 -22.1374 -21.9956 -21.9956 -6.3562 -6.3562 -5.7380 -5.7380 -5.6206 -5.6206 -4.4406 -4.4406 -3.5096 -3.5096 -3.4020 -3.4020 5.6663 5.6663 6.0933 6.0933 6.2705 6.2705 7.6638 7.6638 7.7054 7.7054 8.9846 8.9846 9.0859 9.0859 9.2055 9.2055 10.3621 10.3621 14.2654 14.2654 14.7327 14.7327 15.2447 15.2447 16.9326 16.9326 18.6791 18.6791 k = 0.3625 0.5000-0.0000 ( 2530 PWs) bands (ev): -48.7039 -48.7039 -24.6169 -24.6169 -22.2042 -22.2042 -22.1378 -22.1378 -21.9967 -21.9967 -6.3340 -6.3340 -5.7365 -5.7365 -5.6279 -5.6279 -4.4340 -4.4340 -3.5064 -3.5064 -3.4013 -3.4013 5.6624 5.6624 6.0548 6.0548 6.1897 6.1897 7.6509 7.6509 7.6872 7.6872 9.0017 9.0017 9.0866 9.0866 9.1949 9.1949 10.3928 10.3928 14.3348 14.3348 14.7345 14.7345 15.2813 15.2813 16.9419 16.9419 18.6576 18.6576 k = 0.3750 0.5000-0.0000 ( 2538 PWs) bands (ev): -48.7039 -48.7039 -24.6174 -24.6174 -22.2042 -22.2042 -22.1381 -22.1381 -21.9977 -21.9977 -6.3128 -6.3128 -5.7368 -5.7368 -5.6336 -5.6336 -4.4277 -4.4277 -3.5035 -3.5035 -3.4004 -3.4004 5.6577 5.6577 6.0195 6.0195 6.1154 6.1154 7.6388 7.6388 7.6702 7.6702 9.0176 9.0176 9.0877 9.0877 9.1854 9.1854 10.4203 10.4203 14.3993 14.3993 14.7364 14.7364 15.3168 15.3168 16.9497 16.9497 18.6375 18.6375 k = 0.3875 0.5000-0.0000 ( 2534 PWs) bands (ev): -48.7038 -48.7038 -24.6179 -24.6179 -22.2042 -22.2042 -22.1383 -22.1383 -21.9987 -21.9987 -6.2928 -6.2928 -5.7386 -5.7386 -5.6376 -5.6376 -4.4218 -4.4218 -3.5009 -3.5009 -3.3993 -3.3993 5.6519 5.6519 5.9873 5.9873 6.0484 6.0484 7.6276 7.6276 7.6546 7.6546 9.0323 9.0323 9.0891 9.0891 9.1771 9.1771 10.4448 10.4448 14.4586 14.4586 14.7385 14.7385 15.3506 15.3506 16.9561 16.9561 18.6192 18.6192 k = 0.4000 0.5000-0.0000 ( 2528 PWs) bands (ev): -48.7037 -48.7037 -24.6183 -24.6183 -22.2042 -22.2042 -22.1384 -22.1384 -21.9996 -21.9996 -6.2742 -6.2742 -5.7416 -5.7416 -5.6403 -5.6403 -4.4162 -4.4162 -3.4986 -3.4986 -3.3981 -3.3981 5.6448 5.6448 5.9581 5.9581 5.9895 5.9895 7.6172 7.6172 7.6406 7.6406 9.0457 9.0457 9.0906 9.0906 9.1700 9.1700 10.4665 10.4665 14.5123 14.5123 14.7408 14.7408 15.3825 15.3825 16.9614 16.9614 18.6027 18.6027 k = 0.4125 0.5000-0.0000 ( 2528 PWs) bands (ev): -48.7037 -48.7037 -24.6187 -24.6187 -22.2043 -22.2043 -22.1385 -22.1385 -22.0004 -22.0004 -6.2571 -6.2571 -5.7455 -5.7455 -5.6421 -5.6421 -4.4111 -4.4111 -3.4965 -3.4965 -3.3968 -3.3968 5.6362 5.6362 5.9302 5.9302 5.9411 5.9411 7.6078 7.6078 7.6282 7.6282 9.0575 9.0575 9.0922 9.0922 9.1638 9.1638 10.4853 10.4853 14.5596 14.5596 14.7437 14.7437 15.4118 15.4118 16.9657 16.9657 18.5880 18.5880 k = 0.4250 0.5000-0.0000 ( 2526 PWs) bands (ev): -48.7037 -48.7037 -24.6190 -24.6190 -22.2044 -22.2044 -22.1385 -22.1385 -22.0012 -22.0012 -6.2418 -6.2418 -5.7497 -5.7497 -5.6431 -5.6431 -4.4066 -4.4066 -3.4948 -3.4948 -3.3955 -3.3955 5.6260 5.6260 5.8943 5.8943 5.9128 5.9128 7.5993 7.5993 7.6174 7.6174 9.0678 9.0678 9.0938 9.0938 9.1587 9.1587 10.5014 10.5014 14.6002 14.6002 14.7473 14.7473 15.4381 15.4381 16.9692 16.9692 18.5753 18.5753 k = 0.4375 0.5000-0.0000 ( 2520 PWs) bands (ev): -48.7035 -48.7035 -24.6193 -24.6193 -22.2045 -22.2045 -22.1385 -22.1385 -22.0018 -22.0018 -6.2285 -6.2285 -5.7540 -5.7540 -5.6437 -5.6437 -4.4026 -4.4026 -3.4933 -3.4933 -3.3943 -3.3943 5.6146 5.6146 5.8617 5.8617 5.8934 5.8934 7.5919 7.5919 7.6084 7.6084 9.0765 9.0765 9.0953 9.0953 9.1545 9.1545 10.5149 10.5149 14.6334 14.6334 14.7520 14.7520 15.4612 15.4612 16.9719 16.9719 18.5645 18.5645 k = 0.4500 0.5000-0.0000 ( 2520 PWs) bands (ev): -48.7035 -48.7035 -24.6195 -24.6195 -22.2046 -22.2046 -22.1385 -22.1385 -22.0023 -22.0023 -6.2172 -6.2172 -5.7578 -5.7578 -5.6440 -5.6440 -4.3993 -4.3993 -3.4921 -3.4921 -3.3933 -3.3933 5.6028 5.6028 5.8368 5.8368 5.8778 5.8778 7.5856 7.5856 7.6012 7.6012 9.0834 9.0834 9.0967 9.0967 9.1513 9.1513 10.5258 10.5258 14.6588 14.6588 14.7579 14.7579 15.4805 15.4805 16.9740 16.9740 18.5556 18.5556 k = 0.4625 0.5000-0.0000 ( 2520 PWs) bands (ev): -48.7035 -48.7035 -24.6197 -24.6197 -22.2047 -22.2047 -22.1385 -22.1385 -22.0027 -22.0027 -6.2083 -6.2083 -5.7611 -5.7611 -5.6442 -5.6442 -4.3967 -4.3967 -3.4911 -3.4911 -3.3924 -3.3924 5.5917 5.5917 5.8190 5.8190 5.8657 5.8657 7.5805 7.5805 7.5957 7.5957 9.0885 9.0885 9.0981 9.0981 9.1489 9.1489 10.5342 10.5342 14.6765 14.6765 14.7648 14.7648 15.4959 15.4959 16.9755 16.9755 18.5487 18.5487 k = 0.4750 0.5000-0.0000 ( 2516 PWs) bands (ev): -48.7034 -48.7034 -24.6198 -24.6198 -22.2048 -22.2048 -22.1384 -22.1384 -22.0030 -22.0030 -6.2018 -6.2018 -5.7636 -5.7636 -5.6443 -5.6443 -4.3948 -4.3948 -3.4904 -3.4904 -3.3918 -3.3918 5.5827 5.5827 5.8072 5.8072 5.8571 5.8571 7.5767 7.5767 7.5918 7.5918 9.0918 9.0918 9.0994 9.0994 9.1473 9.1473 10.5402 10.5402 14.6875 14.6875 14.7714 14.7714 15.5070 15.5070 16.9765 16.9765 18.5437 18.5437 k = 0.4875 0.5000-0.0000 ( 2512 PWs) bands (ev): -48.7034 -48.7034 -24.6199 -24.6199 -22.2048 -22.2048 -22.1384 -22.1384 -22.0032 -22.0032 -6.1978 -6.1978 -5.7651 -5.7651 -5.6444 -5.6444 -4.3936 -4.3936 -3.4900 -3.4900 -3.3914 -3.3914 5.5769 5.5769 5.8006 5.8006 5.8520 5.8520 7.5745 7.5745 7.5895 7.5895 9.0935 9.0935 9.1004 9.1004 9.1464 9.1464 10.5438 10.5438 14.6933 14.6933 14.7763 14.7763 15.5138 15.5138 16.9771 16.9771 18.5407 18.5407 k = 0.5000 0.5000-0.0000 ( 2496 PWs) bands (ev): -48.7032 -48.7032 -24.6198 -24.6198 -22.2047 -22.2047 -22.1383 -22.1383 -22.0033 -22.0033 -6.1965 -6.1965 -5.7657 -5.7657 -5.6444 -5.6444 -4.3932 -4.3932 -3.4898 -3.4898 -3.3912 -3.3912 5.5748 5.5748 5.7985 5.7985 5.8503 5.8503 7.5737 7.5737 7.5887 7.5887 9.0940 9.0940 9.1008 9.1008 9.1461 9.1461 10.5450 10.5450 14.6952 14.6952 14.7780 14.7780 15.5161 15.5161 16.9773 16.9773 18.5398 18.5398 k = 0.5000 0.5000-0.0000 ( 2496 PWs) bands (ev): -48.7032 -48.7032 -24.6198 -24.6198 -22.2047 -22.2047 -22.1383 -22.1383 -22.0033 -22.0033 -6.1965 -6.1965 -5.7657 -5.7657 -5.6444 -5.6444 -4.3932 -4.3932 -3.4898 -3.4898 -3.3912 -3.3912 5.5748 5.5748 5.7985 5.7985 5.8503 5.8503 7.5737 7.5737 7.5887 7.5887 9.0940 9.0940 9.1008 9.1008 9.1461 9.1461 10.5450 10.5450 14.6952 14.6952 14.7780 14.7780 15.5161 15.5161 16.9773 16.9773 18.5398 18.5398 k = 0.4911 0.4911-0.0000 ( 2508 PWs) bands (ev): -48.7033 -48.7033 -24.6199 -24.6199 -22.2048 -22.2048 -22.1384 -22.1384 -22.0032 -22.0032 -6.1978 -6.1978 -5.7651 -5.7651 -5.6444 -5.6444 -4.3936 -4.3936 -3.4900 -3.4900 -3.3914 -3.3914 5.5769 5.5769 5.8006 5.8006 5.8520 5.8520 7.5745 7.5745 7.5895 7.5895 9.0935 9.0935 9.1005 9.1005 9.1464 9.1464 10.5437 10.5437 14.6933 14.6933 14.7762 14.7762 15.5138 15.5138 16.9771 16.9771 18.5408 18.5408 k = 0.4821 0.4821-0.0000 ( 2512 PWs) bands (ev): -48.7034 -48.7034 -24.6198 -24.6198 -22.2047 -22.2047 -22.1384 -22.1384 -22.0030 -22.0030 -6.2018 -6.2018 -5.7636 -5.7636 -5.6443 -5.6443 -4.3948 -4.3948 -3.4904 -3.4904 -3.3918 -3.3918 5.5832 5.5832 5.8071 5.8071 5.8573 5.8573 7.5768 7.5768 7.5919 7.5919 9.0913 9.0913 9.0998 9.0998 9.1474 9.1474 10.5401 10.5401 14.6879 14.6879 14.7707 14.7707 15.5068 15.5068 16.9765 16.9765 18.5437 18.5437 k = 0.4732 0.4732-0.0000 ( 2516 PWs) bands (ev): -48.7035 -48.7035 -24.6197 -24.6197 -22.2047 -22.2047 -22.1385 -22.1385 -22.0027 -22.0027 -6.2084 -6.2084 -5.7612 -5.7612 -5.6442 -5.6442 -4.3968 -4.3968 -3.4911 -3.4911 -3.3925 -3.3925 5.5937 5.5937 5.8176 5.8176 5.8664 5.8664 7.5806 7.5806 7.5959 7.5959 9.0868 9.0868 9.0996 9.0996 9.1490 9.1490 10.5341 10.5341 14.6788 14.6788 14.7617 14.7617 15.4953 15.4953 16.9755 16.9755 18.5485 18.5485 k = 0.4643 0.4643-0.0000 ( 2520 PWs) bands (ev): -48.7035 -48.7035 -24.6195 -24.6195 -22.2046 -22.2046 -22.1385 -22.1385 -22.0023 -22.0023 -6.2172 -6.2172 -5.7582 -5.7582 -5.6441 -5.6441 -4.3995 -4.3995 -3.4921 -3.4921 -3.3934 -3.3934 5.6083 5.6083 5.8319 5.8319 5.8793 5.8793 7.5857 7.5857 7.6016 7.6016 9.0799 9.0799 9.1000 9.1000 9.1515 9.1515 10.5257 10.5257 14.6661 14.6661 14.7491 14.7491 15.4791 15.4791 16.9739 16.9739 18.5549 18.5549 k = 0.4554 0.4554-0.0000 ( 2516 PWs) bands (ev): -48.7035 -48.7035 -24.6192 -24.6192 -22.2044 -22.2044 -22.1385 -22.1385 -22.0018 -22.0018 -6.2280 -6.2280 -5.7548 -5.7548 -5.6438 -5.6438 -4.4029 -4.4029 -3.4934 -3.4934 -3.3945 -3.3945 5.6270 5.6270 5.8495 5.8495 5.8967 5.8967 7.5921 7.5921 7.6093 7.6093 9.0708 9.0708 9.1009 9.1009 9.1547 9.1547 10.5150 10.5150 14.6497 14.6497 14.7331 14.7331 15.4585 15.4585 16.9718 16.9718 18.5624 18.5624 k = 0.4464 0.4464-0.0000 ( 2522 PWs) bands (ev): -48.7036 -48.7036 -24.6190 -24.6190 -22.2043 -22.2043 -22.1386 -22.1386 -22.0012 -22.0012 -6.2406 -6.2406 -5.7514 -5.7514 -5.6435 -5.6435 -4.4071 -4.4071 -3.4949 -3.4949 -3.3959 -3.3959 5.6498 5.6498 5.8699 5.8699 5.9189 5.9189 7.5995 7.5995 7.6189 7.6189 9.0598 9.0598 9.1020 9.1020 9.1589 9.1589 10.5021 10.5021 14.6296 14.6296 14.7138 14.7138 15.4333 15.4333 16.9691 16.9691 18.5705 18.5705 k = 0.4375 0.4375-0.0000 ( 2524 PWs) bands (ev): -48.7037 -48.7037 -24.6186 -24.6186 -22.2040 -22.2040 -22.1387 -22.1387 -22.0004 -22.0004 -6.2546 -6.2546 -5.7483 -5.7483 -5.6432 -5.6432 -4.4120 -4.4120 -3.4968 -3.4968 -3.3974 -3.3974 5.6766 5.6766 5.8926 5.8926 5.9463 5.9463 7.6078 7.6078 7.6305 7.6305 9.0472 9.0472 9.1034 9.1034 9.1640 9.1640 10.4870 10.4870 14.6058 14.6058 14.6913 14.6913 15.4038 15.4038 16.9657 16.9657 18.5783 18.5783 k = 0.4286 0.4286-0.0000 ( 2534 PWs) bands (ev): -48.7038 -48.7038 -24.6182 -24.6182 -22.2038 -22.2038 -22.1387 -22.1387 -21.9997 -21.9997 -6.2698 -6.2698 -5.7456 -5.7456 -5.6428 -5.6428 -4.4174 -4.4174 -3.4989 -3.4989 -3.3990 -3.3990 5.7073 5.7073 5.9174 5.9174 5.9791 5.9791 7.6171 7.6171 7.6442 7.6442 9.0330 9.0330 9.1050 9.1050 9.1699 9.1699 10.4698 10.4698 14.5783 14.5783 14.6657 14.6657 15.3700 15.3700 16.9615 16.9615 18.5844 18.5844 k = 0.4196 0.4196-0.0000 ( 2538 PWs) bands (ev): -48.7039 -48.7039 -24.6178 -24.6178 -22.2035 -22.2035 -22.1387 -22.1387 -21.9988 -21.9988 -6.2858 -6.2858 -5.7437 -5.7437 -5.6424 -5.6424 -4.4235 -4.4235 -3.5014 -3.5014 -3.4008 -3.4008 5.7419 5.7419 5.9443 5.9443 6.0172 6.0172 7.6274 7.6274 7.6598 7.6598 9.0178 9.0178 9.1070 9.1070 9.1768 9.1768 10.4506 10.4506 14.5470 14.5470 14.6371 14.6371 15.3320 15.3320 16.9563 16.9563 18.5871 18.5871 k = 0.4107 0.4107-0.0000 ( 2536 PWs) bands (ev): -48.7039 -48.7039 -24.6173 -24.6173 -22.2031 -22.2031 -22.1387 -22.1387 -21.9979 -21.9979 -6.3025 -6.3025 -5.7425 -5.7425 -5.6421 -5.6421 -4.4301 -4.4301 -3.5041 -3.5041 -3.4027 -3.4027 5.7802 5.7802 5.9733 5.9733 6.0602 6.0602 7.6385 7.6385 7.6774 7.6774 9.0016 9.0016 9.1092 9.1092 9.1846 9.1846 10.4295 10.4295 14.5121 14.5121 14.6057 14.6057 15.2900 15.2900 16.9502 16.9502 18.5842 18.5842 k = 0.4018 0.4018-0.0000 ( 2536 PWs) bands (ev): -48.7039 -48.7039 -24.6167 -24.6167 -22.2027 -22.2027 -22.1387 -22.1387 -21.9970 -21.9970 -6.3196 -6.3196 -5.7423 -5.7423 -5.6422 -5.6422 -4.4373 -4.4373 -3.5071 -3.5071 -3.4046 -3.4046 5.8222 5.8222 6.0047 6.0047 6.1079 6.1079 7.6504 7.6504 7.6970 7.6970 8.9849 8.9849 9.1117 9.1117 9.1934 9.1934 10.4067 10.4067 14.4736 14.4736 14.5716 14.5716 15.2441 15.2441 16.9430 16.9430 18.5736 18.5736 k = 0.3929 0.3929-0.0000 ( 2536 PWs) bands (ev): -48.7040 -48.7040 -24.6161 -24.6161 -22.2023 -22.2023 -22.1386 -22.1386 -21.9960 -21.9960 -6.3369 -6.3369 -5.7429 -5.7429 -5.6426 -5.6426 -4.4448 -4.4448 -3.5104 -3.5104 -3.4066 -3.4066 5.8677 5.8677 6.0385 6.0385 6.1600 6.1600 7.6632 7.6632 7.7184 7.7184 8.9679 8.9679 9.1145 9.1145 9.2030 9.2030 10.3822 10.3822 14.4316 14.4316 14.5349 14.5349 15.1945 15.1945 16.9347 16.9347 18.5544 18.5544 k = 0.3839 0.3839-0.0000 ( 2536 PWs) bands (ev): -48.7040 -48.7040 -24.6154 -24.6154 -22.2018 -22.2018 -22.1385 -22.1385 -21.9950 -21.9950 -6.3543 -6.3543 -5.7444 -5.7444 -5.6437 -5.6437 -4.4528 -4.4528 -3.5140 -3.5140 -3.4086 -3.4086 5.9165 5.9165 6.0747 6.0747 6.2164 6.2164 7.6767 7.6767 7.7416 7.7416 8.9510 8.9510 9.1176 9.1176 9.2137 9.2137 10.3563 10.3563 14.3862 14.3862 14.4956 14.4956 15.1414 15.1414 16.9251 16.9251 18.5273 18.5273 k = 0.3750 0.3750-0.0000 ( 2540 PWs) bands (ev): -48.7041 -48.7041 -24.6147 -24.6147 -22.2012 -22.2012 -22.1384 -22.1384 -21.9941 -21.9941 -6.3717 -6.3717 -5.7467 -5.7467 -5.6454 -5.6454 -4.4611 -4.4611 -3.5178 -3.5178 -3.4106 -3.4106 5.9687 5.9687 6.1135 6.1135 6.2768 6.2768 7.6909 7.6909 7.7667 7.7667 8.9344 8.9344 9.1211 9.1211 9.2252 9.2252 10.3289 10.3289 14.3376 14.3376 14.4537 14.4537 15.0850 15.0850 16.9141 16.9141 18.4934 18.4934 k = 0.3661 0.3661-0.0000 ( 2542 PWs) bands (ev): -48.7042 -48.7042 -24.6140 -24.6140 -22.2005 -22.2005 -22.1382 -22.1382 -21.9931 -21.9931 -6.3888 -6.3888 -5.7497 -5.7497 -5.6480 -5.6480 -4.4698 -4.4698 -3.5219 -3.5219 -3.4127 -3.4127 6.0239 6.0239 6.1548 6.1548 6.3410 6.3410 7.7058 7.7058 7.7936 7.7936 8.9184 8.9184 9.1250 9.1250 9.2378 9.2378 10.3003 10.3003 14.2861 14.2861 14.4095 14.4095 15.0255 15.0255 16.9018 16.9018 18.4540 18.4540 k = 0.3571 0.3571-0.0000 ( 2534 PWs) bands (ev): -48.7042 -48.7042 -24.6132 -24.6132 -22.1998 -22.1998 -22.1379 -22.1379 -21.9922 -21.9922 -6.4055 -6.4055 -5.7535 -5.7535 -5.6516 -5.6516 -4.4786 -4.4786 -3.5262 -3.5262 -3.4148 -3.4148 6.0819 6.0819 6.1987 6.1987 6.4088 6.4088 7.7213 7.7213 7.8222 7.8222 8.9035 8.9035 9.1293 9.1293 9.2513 9.2513 10.2707 10.2707 14.2316 14.2316 14.3628 14.3628 14.9632 14.9632 16.8881 16.8881 18.4101 18.4101 k = 0.3482 0.3482-0.0000 ( 2542 PWs) bands (ev): -48.7043 -48.7043 -24.6124 -24.6124 -22.1990 -22.1990 -22.1376 -22.1376 -21.9914 -21.9914 -6.4219 -6.4219 -5.7579 -5.7579 -5.6562 -5.6562 -4.4877 -4.4877 -3.5308 -3.5308 -3.4171 -3.4171 6.1425 6.1425 6.2452 6.2452 6.4801 6.4801 7.7373 7.7373 7.8526 7.8526 8.8898 8.8898 9.1340 9.1340 9.2658 9.2658 10.2401 10.2401 14.1746 14.1746 14.3138 14.3138 14.8981 14.8981 16.8729 16.8729 18.3623 18.3623 k = 0.3393 0.3393-0.0000 ( 2546 PWs) bands (ev): -48.7044 -48.7044 -24.6115 -24.6115 -22.1981 -22.1981 -22.1373 -22.1373 -21.9906 -21.9906 -6.4377 -6.4377 -5.7628 -5.7628 -5.6619 -5.6619 -4.4970 -4.4970 -3.5355 -3.5355 -3.4194 -3.4194 6.2052 6.2052 6.2945 6.2945 6.5547 6.5547 7.7537 7.7537 7.8847 7.8847 8.8777 8.8777 9.1393 9.1393 9.2813 9.2813 10.2088 10.2088 14.1151 14.1151 14.2626 14.2626 14.8306 14.8306 16.8562 16.8562 18.3111 18.3111 k = 0.3304 0.3304-0.0000 ( 2546 PWs) bands (ev): -48.7045 -48.7045 -24.6106 -24.6106 -22.1972 -22.1972 -22.1369 -22.1369 -21.9899 -21.9899 -6.4530 -6.4530 -5.7682 -5.7682 -5.6687 -5.6687 -4.5064 -4.5064 -3.5404 -3.5404 -3.4219 -3.4219 6.2697 6.2697 6.3468 6.3468 6.6323 6.6323 7.7706 7.7706 7.9184 7.9184 8.8674 8.8674 9.1451 9.1451 9.2977 9.2977 10.1769 10.1769 14.0534 14.0534 14.2091 14.2091 14.7608 14.7608 16.8381 16.8381 18.2569 18.2569 k = 0.3214 0.3214-0.0000 ( 2546 PWs) bands (ev): -48.7046 -48.7046 -24.6097 -24.6097 -22.1961 -22.1961 -22.1364 -22.1364 -21.9892 -21.9892 -6.4676 -6.4676 -5.7741 -5.7741 -5.6766 -5.6766 -4.5160 -4.5160 -3.5454 -3.5454 -3.4245 -3.4245 6.3352 6.3352 6.4026 6.4026 6.7128 6.7128 7.7877 7.7877 7.9538 7.9538 8.8593 8.8593 9.1514 9.1514 9.3152 9.3152 10.1446 10.1446 13.9897 13.9897 14.1535 14.1535 14.6889 14.6889 16.8184 16.8184 18.2000 18.2000 k = 0.3125 0.3125-0.0000 ( 2538 PWs) bands (ev): -48.7045 -48.7045 -24.6087 -24.6087 -22.1949 -22.1949 -22.1358 -22.1358 -21.9887 -21.9887 -6.4816 -6.4816 -5.7804 -5.7804 -5.6855 -5.6855 -4.5256 -4.5256 -3.5505 -3.5505 -3.4274 -3.4274 6.4007 6.4007 6.4626 6.4626 6.7960 6.7960 7.8051 7.8051 7.9908 7.9908 8.8536 8.8536 9.1584 9.1584 9.3336 9.3336 10.1119 10.1119 13.9242 13.9242 14.0959 14.0959 14.6151 14.6151 16.7973 16.7973 18.1404 18.1404 k = 0.3036 0.3036-0.0000 ( 2538 PWs) bands (ev): -48.7046 -48.7046 -24.6077 -24.6077 -22.1937 -22.1937 -22.1352 -22.1352 -21.9883 -21.9883 -6.4948 -6.4948 -5.7871 -5.7871 -5.6955 -5.6955 -4.5353 -4.5353 -3.5557 -3.5557 -3.4306 -3.4306 6.4653 6.4653 6.5271 6.5271 6.8816 6.8816 7.8226 7.8226 8.0294 8.0294 8.8505 8.8505 9.1661 9.1661 9.3531 9.3531 10.0792 10.0792 13.8571 13.8571 14.0363 14.0363 14.5397 14.5397 16.7747 16.7747 18.0785 18.0785 k = 0.2946 0.2946-0.0000 ( 2534 PWs) bands (ev): -48.7046 -48.7046 -24.6067 -24.6067 -22.1923 -22.1923 -22.1346 -22.1346 -21.9879 -21.9879 -6.5073 -6.5073 -5.7941 -5.7941 -5.7063 -5.7063 -4.5451 -4.5451 -3.5609 -3.5609 -3.4341 -3.4341 6.5290 6.5290 6.5962 6.5962 6.9696 6.9696 7.8403 7.8403 8.0695 8.0695 8.8503 8.8503 9.1745 9.1745 9.3735 9.3735 10.0465 10.0465 13.7887 13.7887 13.9748 13.9748 14.4627 14.4627 16.7507 16.7507 18.0143 18.0143 k = 0.2857 0.2857-0.0000 ( 2534 PWs) bands (ev): -48.7047 -48.7047 -24.6057 -24.6057 -22.1908 -22.1908 -22.1340 -22.1340 -21.9877 -21.9877 -6.5190 -6.5190 -5.8014 -5.8014 -5.7180 -5.7180 -4.5549 -4.5549 -3.5662 -3.5662 -3.4380 -3.4380 6.5919 6.5919 6.6690 6.6690 7.0596 7.0596 7.8580 7.8580 8.1111 8.1111 8.8531 8.8531 9.1837 9.1837 9.3948 9.3948 10.0140 10.0140 13.7191 13.7191 13.9116 13.9116 14.3843 14.3843 16.7252 16.7252 17.9481 17.9481 k = 0.2768 0.2768-0.0000 ( 2536 PWs) bands (ev): -48.7048 -48.7048 -24.6047 -24.6047 -22.1892 -22.1892 -22.1333 -22.1333 -21.9877 -21.9877 -6.5300 -6.5300 -5.8090 -5.8090 -5.7304 -5.7304 -4.5648 -4.5648 -3.5714 -3.5714 -3.4423 -3.4423 6.6548 6.6548 6.7446 6.7446 7.1515 7.1515 7.8756 7.8756 8.1541 8.1541 8.8593 8.8593 9.1937 9.1937 9.4171 9.4171 9.9820 9.9820 13.6486 13.6486 13.8468 13.8468 14.3047 14.3047 16.6985 16.6985 17.8799 17.8799 k = 0.2679 0.2679-0.0000 ( 2530 PWs) bands (ev): -48.7048 -48.7048 -24.6036 -24.6036 -22.1875 -22.1875 -22.1325 -22.1325 -21.9878 -21.9878 -6.5402 -6.5402 -5.8168 -5.8168 -5.7434 -5.7434 -4.5746 -4.5746 -3.5766 -3.5766 -3.4471 -3.4471 6.7180 6.7180 6.8222 6.8222 7.2450 7.2450 7.8932 7.8932 8.1985 8.1985 8.8688 8.8688 9.2047 9.2047 9.4403 9.4403 9.9505 9.9505 13.5773 13.5773 13.7804 13.7804 14.2240 14.2240 16.6704 16.6704 17.8101 17.8101 k = 0.2589 0.2589-0.0000 ( 2524 PWs) bands (ev): -48.7048 -48.7048 -24.6025 -24.6025 -22.1857 -22.1857 -22.1317 -22.1317 -21.9880 -21.9880 -6.5496 -6.5496 -5.8248 -5.8248 -5.7569 -5.7569 -4.5845 -4.5845 -3.5817 -3.5817 -3.4523 -3.4523 6.7817 6.7817 6.9011 6.9011 7.3399 7.3399 7.9106 7.9106 8.2442 8.2442 8.8819 8.8819 9.2166 9.2166 9.4644 9.4644 9.9197 9.9197 13.5054 13.5054 13.7126 13.7126 14.1423 14.1423 16.6411 16.6411 17.7386 17.7386 k = 0.2500 0.2500-0.0000 ( 2524 PWs) bands (ev): -48.7049 -48.7049 -24.6014 -24.6014 -22.1838 -22.1838 -22.1309 -22.1309 -21.9884 -21.9884 -6.5583 -6.5583 -5.8330 -5.8330 -5.7707 -5.7707 -4.5944 -4.5944 -3.5868 -3.5868 -3.4580 -3.4580 6.8459 6.8459 6.9807 6.9807 7.4360 7.4360 7.9279 7.9279 8.2912 8.2912 8.8986 8.8986 9.2296 9.2296 9.4894 9.4894 9.8898 9.8898 13.4332 13.4332 13.6435 13.6435 14.0597 14.0597 16.6107 16.6107 17.6658 17.6658 k = 0.2411 0.2411-0.0000 ( 2524 PWs) bands (ev): -48.7049 -48.7049 -24.6004 -24.6004 -22.1817 -22.1817 -22.1300 -22.1300 -21.9889 -21.9889 -6.5662 -6.5662 -5.8414 -5.8414 -5.7848 -5.7848 -4.6043 -4.6043 -3.5918 -3.5918 -3.4643 -3.4643 6.9106 6.9106 7.0607 7.0607 7.5331 7.5331 7.9449 7.9449 8.3394 8.3394 8.9192 8.9192 9.2438 9.2438 9.5151 9.5151 9.8610 9.8610 13.3608 13.3608 13.5733 13.5733 13.9764 13.9764 16.5791 16.5791 17.5918 17.5918 k = 0.2321 0.2321-0.0000 ( 2524 PWs) bands (ev): -48.7050 -48.7050 -24.5993 -24.5993 -22.1796 -22.1796 -22.1292 -22.1292 -21.9896 -21.9896 -6.5735 -6.5735 -5.8498 -5.8498 -5.7989 -5.7989 -4.6142 -4.6142 -3.5966 -3.5966 -3.4710 -3.4710 6.9756 6.9756 7.1405 7.1405 7.6308 7.6308 7.9618 7.9618 8.3886 8.3886 8.9435 8.9435 9.2592 9.2592 9.5416 9.5416 9.8334 9.8334 13.2885 13.2885 13.5020 13.5020 13.8924 13.8924 16.5465 16.5465 17.5169 17.5169 k = 0.2232 0.2232-0.0000 ( 2528 PWs) bands (ev): -48.7051 -48.7051 -24.5983 -24.5983 -22.1773 -22.1773 -22.1283 -22.1283 -21.9905 -21.9905 -6.5800 -6.5800 -5.8584 -5.8584 -5.8131 -5.8131 -4.6242 -4.6242 -3.6013 -3.6013 -3.4783 -3.4783 7.0409 7.0409 7.2197 7.2197 7.7290 7.7290 7.9783 7.9783 8.4389 8.4389 8.9717 8.9717 9.2759 9.2759 9.5689 9.5689 9.8073 9.8073 13.2164 13.2164 13.4299 13.4299 13.8078 13.8078 16.5131 16.5131 17.4413 17.4413 k = 0.2143 0.2143-0.0000 ( 2536 PWs) bands (ev): -48.7053 -48.7053 -24.5972 -24.5972 -22.1750 -22.1750 -22.1275 -22.1275 -21.9915 -21.9915 -6.5860 -6.5860 -5.8670 -5.8670 -5.8270 -5.8270 -4.6341 -4.6341 -3.6059 -3.6059 -3.4860 -3.4860 7.1062 7.1062 7.2980 7.2980 7.8273 7.8273 7.9947 7.9947 8.4902 8.4902 9.0036 9.0036 9.2940 9.2940 9.5967 9.5967 9.7828 9.7828 13.1446 13.1446 13.3571 13.3571 13.7226 13.7226 16.4787 16.4787 17.3652 17.3652 k = 0.2054 0.2054-0.0000 ( 2542 PWs) bands (ev): -48.7055 -48.7055 -24.5962 -24.5962 -22.1725 -22.1725 -22.1266 -22.1266 -21.9927 -21.9927 -6.5914 -6.5914 -5.8757 -5.8757 -5.8406 -5.8406 -4.6439 -4.6439 -3.6103 -3.6103 -3.4942 -3.4942 7.1713 7.1713 7.3747 7.3747 7.9251 7.9251 8.0114 8.0114 8.5422 8.5422 9.0394 9.0394 9.3134 9.3134 9.6252 9.6252 9.7603 9.7603 13.0734 13.0734 13.2837 13.2837 13.6371 13.6371 16.4437 16.4437 17.2889 17.2889 k = 0.1964 0.1964-0.0000 ( 2542 PWs) bands (ev): -48.7055 -48.7055 -24.5952 -24.5952 -22.1699 -22.1699 -22.1257 -22.1257 -21.9940 -21.9940 -6.5962 -6.5962 -5.8844 -5.8844 -5.8537 -5.8537 -4.6538 -4.6538 -3.6146 -3.6146 -3.5028 -3.5028 7.2360 7.2360 7.4496 7.4496 8.0132 8.0132 8.0371 8.0371 8.5950 8.5950 9.0789 9.0789 9.3342 9.3342 9.6540 9.6540 9.7399 9.7399 13.0030 13.0030 13.2100 13.2100 13.5512 13.5512 16.4081 16.4081 17.2128 17.2128 k = 0.1875 0.1875-0.0000 ( 2536 PWs) bands (ev): -48.7055 -48.7055 -24.5941 -24.5941 -22.1671 -22.1671 -22.1248 -22.1248 -21.9955 -21.9955 -6.6006 -6.6006 -5.8931 -5.8931 -5.8663 -5.8663 -4.6636 -4.6636 -3.6187 -3.6187 -3.5118 -3.5118 7.3000 7.3000 7.5220 7.5220 8.0386 8.0386 8.1248 8.1248 8.6484 8.6484 9.1219 9.1219 9.3561 9.3561 9.6832 9.6832 9.7223 9.7223 12.9335 12.9335 13.1361 13.1361 13.4651 13.4651 16.3720 16.3720 17.1370 17.1370 k = 0.1786 0.1786-0.0000 ( 2534 PWs) bands (ev): -48.7055 -48.7055 -24.5931 -24.5931 -22.1643 -22.1643 -22.1239 -22.1239 -21.9971 -21.9971 -6.6045 -6.6045 -5.9018 -5.9018 -5.8782 -5.8782 -4.6733 -4.6733 -3.6226 -3.6226 -3.5212 -3.5212 7.3631 7.3631 7.5917 7.5917 8.0542 8.0542 8.2211 8.2211 8.7023 8.7023 9.1683 9.1683 9.3789 9.3789 9.7047 9.7047 9.7156 9.7156 12.8650 12.8650 13.0623 13.0623 13.3788 13.3788 16.3355 16.3355 17.0620 17.0620 k = 0.1696 0.1696-0.0000 ( 2534 PWs) bands (ev): -48.7056 -48.7056 -24.5922 -24.5922 -22.1614 -22.1614 -22.1230 -22.1230 -21.9989 -21.9989 -6.6081 -6.6081 -5.9104 -5.9104 -5.8894 -5.8894 -4.6830 -4.6830 -3.6263 -3.6263 -3.5308 -3.5308 7.4250 7.4250 7.6582 7.6582 8.0689 8.0689 8.3170 8.3170 8.7565 8.7565 9.2179 9.2179 9.4021 9.4021 9.6954 9.6954 9.7438 9.7438 12.7979 12.7979 12.9886 12.9886 13.2925 13.2925 16.2989 16.2989 16.9880 16.9880 k = 0.1607 0.1607-0.0000 ( 2538 PWs) bands (ev): -48.7057 -48.7057 -24.5912 -24.5912 -22.1584 -22.1584 -22.1221 -22.1221 -22.0008 -22.0008 -6.6113 -6.6113 -5.9190 -5.9190 -5.8997 -5.8997 -4.6926 -4.6926 -3.6299 -3.6299 -3.5406 -3.5406 7.4854 7.4854 7.7212 7.7212 8.0833 8.0833 8.4117 8.4117 8.8108 8.8108 9.2703 9.2703 9.4247 9.4247 9.6891 9.6891 9.7737 9.7737 12.7321 12.7321 12.9154 12.9154 13.2062 13.2062 16.2622 16.2622 16.9154 16.9154 k = 0.1518 0.1518-0.0000 ( 2534 PWs) bands (ev): -48.7057 -48.7057 -24.5903 -24.5903 -22.1553 -22.1553 -22.1213 -22.1213 -22.0028 -22.0028 -6.6142 -6.6142 -5.9273 -5.9273 -5.9093 -5.9093 -4.7021 -4.7021 -3.6332 -3.6332 -3.5505 -3.5505 7.5440 7.5440 7.7803 7.7803 8.0973 8.0973 8.5050 8.5050 8.8651 8.8651 9.3253 9.3253 9.4456 9.4456 9.6886 9.6886 9.8038 9.8038 12.6679 12.6679 12.8429 12.8429 13.1202 13.1202 16.2256 16.2256 16.8444 16.8444 k = 0.1429 0.1429-0.0000 ( 2530 PWs) bands (ev): -48.7057 -48.7057 -24.5894 -24.5894 -22.1522 -22.1522 -22.1205 -22.1205 -22.0050 -22.0050 -6.6169 -6.6169 -5.9353 -5.9353 -5.9182 -5.9182 -4.7114 -4.7114 -3.6364 -3.6364 -3.5605 -3.5605 7.6004 7.6004 7.8353 7.8353 8.1110 8.1110 8.5965 8.5965 8.9191 8.9191 9.3823 9.3823 9.4635 9.4635 9.6952 9.6952 9.8338 9.8338 12.6055 12.6055 12.7714 12.7714 13.0346 13.0346 16.1893 16.1893 16.7754 16.7754 k = 0.1339 0.1339-0.0000 ( 2530 PWs) bands (ev): -48.7058 -48.7058 -24.5886 -24.5886 -22.1490 -22.1490 -22.1197 -22.1197 -22.0073 -22.0073 -6.6194 -6.6194 -5.9428 -5.9428 -5.9264 -5.9264 -4.7205 -4.7205 -3.6394 -3.6394 -3.5704 -3.5704 7.6543 7.6543 7.8862 7.8862 8.1245 8.1245 8.6859 8.6859 8.9727 8.9727 9.4405 9.4405 9.4776 9.4776 9.7099 9.7099 9.8636 9.8636 12.5451 12.5451 12.7010 12.7010 12.9497 12.9497 16.1534 16.1534 16.7087 16.7087 k = 0.1250 0.1250-0.0000 ( 2534 PWs) bands (ev): -48.7059 -48.7059 -24.5878 -24.5878 -22.1458 -22.1458 -22.1189 -22.1189 -22.0096 -22.0096 -6.6217 -6.6217 -5.9497 -5.9497 -5.9339 -5.9339 -4.7294 -4.7294 -3.6422 -3.6422 -3.5802 -3.5802 7.7053 7.7053 7.9330 7.9330 8.1378 8.1378 8.7729 8.7729 9.0256 9.0256 9.4822 9.4822 9.5049 9.5049 9.7326 9.7326 9.8930 9.8930 12.4867 12.4867 12.6322 12.6322 12.8657 12.8657 16.1181 16.1181 16.6442 16.6442 k = 0.1161 0.1161-0.0000 ( 2526 PWs) bands (ev): -48.7058 -48.7058 -24.5870 -24.5870 -22.1426 -22.1426 -22.1182 -22.1182 -22.0121 -22.0121 -6.6238 -6.6238 -5.9560 -5.9560 -5.9409 -5.9409 -4.7380 -4.7380 -3.6448 -3.6448 -3.5898 -3.5898 7.7530 7.7530 7.9757 7.9757 8.1509 8.1509 8.8571 8.8571 9.0774 9.0774 9.4890 9.4890 9.5639 9.5639 9.7622 9.7622 9.9219 9.9219 12.4306 12.4306 12.5652 12.5652 12.7830 12.7830 16.0837 16.0837 16.5810 16.5810 k = 0.1071 0.1071-0.0000 ( 2528 PWs) bands (ev): -48.7059 -48.7059 -24.5863 -24.5863 -22.1393 -22.1393 -22.1175 -22.1175 -22.0146 -22.0146 -6.6259 -6.6259 -5.9615 -5.9615 -5.9474 -5.9474 -4.7463 -4.7463 -3.6472 -3.6472 -3.5991 -3.5991 7.7971 7.7971 8.0147 8.0147 8.1636 8.1636 8.9382 8.9382 9.1280 9.1280 9.4914 9.4914 9.6246 9.6246 9.7970 9.7970 9.9502 9.9502 12.3770 12.3770 12.5002 12.5002 12.7020 12.7020 16.0504 16.0504 16.5197 16.5197 k = 0.0982 0.0982-0.0000 ( 2524 PWs) bands (ev): -48.7059 -48.7059 -24.5856 -24.5856 -22.1361 -22.1361 -22.1168 -22.1168 -22.0171 -22.0171 -6.6278 -6.6278 -5.9664 -5.9664 -5.9534 -5.9534 -4.7542 -4.7542 -3.6494 -3.6494 -3.6080 -3.6080 7.8372 7.8372 8.0502 8.0502 8.1761 8.1761 9.0157 9.0157 9.1768 9.1768 9.4919 9.4919 9.6849 9.6849 9.8353 9.8353 9.9777 9.9777 12.3261 12.3261 12.4378 12.4378 12.6233 12.6233 16.0182 16.0182 16.4441 16.4441 k = 0.0893 0.0893-0.0000 ( 2524 PWs) bands (ev): -48.7060 -48.7060 -24.5850 -24.5850 -22.1330 -22.1330 -22.1162 -22.1162 -22.0196 -22.0196 -6.6296 -6.6296 -5.9706 -5.9706 -5.9589 -5.9589 -4.7618 -4.7618 -3.6514 -3.6514 -3.6164 -3.6164 7.8729 7.8729 8.0827 8.0827 8.1880 8.1880 9.0892 9.0892 9.2237 9.2237 9.4914 9.4914 9.7439 9.7439 9.8757 9.8757 10.0042 10.0042 12.2780 12.2780 12.3780 12.3780 12.5476 12.5476 15.9876 15.9876 16.3461 16.3461 k = 0.0804 0.0804-0.0000 ( 2528 PWs) bands (ev): -48.7060 -48.7060 -24.5844 -24.5844 -22.1299 -22.1299 -22.1157 -22.1157 -22.0221 -22.0221 -6.6313 -6.6313 -5.9742 -5.9742 -5.9639 -5.9639 -4.7688 -4.7688 -3.6532 -3.6532 -3.6244 -3.6244 7.9043 7.9043 8.1124 8.1124 8.1993 8.1993 9.1580 9.1580 9.2681 9.2681 9.4904 9.4904 9.8006 9.8006 9.9170 9.9170 10.0296 10.0296 12.2329 12.2329 12.3212 12.3212 12.4756 12.4756 15.9587 15.9587 16.2526 16.2526 k = 0.0714 0.0714-0.0000 ( 2528 PWs) bands (ev): -48.7061 -48.7061 -24.5839 -24.5839 -22.1270 -22.1270 -22.1152 -22.1152 -22.0246 -22.0246 -6.6329 -6.6329 -5.9771 -5.9771 -5.9684 -5.9684 -4.7753 -4.7753 -3.6549 -3.6549 -3.6316 -3.6316 7.9312 7.9312 8.1395 8.1395 8.2097 8.2097 9.2218 9.2218 9.3096 9.3096 9.4893 9.4893 9.8541 9.8541 9.9580 9.9580 10.0537 10.0537 12.1911 12.1911 12.2676 12.2676 12.4084 12.4084 15.9317 15.9317 16.1664 16.1664 k = 0.0625 0.0625-0.0000 ( 2530 PWs) bands (ev): -48.7061 -48.7061 -24.5835 -24.5835 -22.1242 -22.1242 -22.1148 -22.1148 -22.0270 -22.0270 -6.6343 -6.6343 -5.9795 -5.9795 -5.9724 -5.9724 -4.7812 -4.7812 -3.6563 -3.6563 -3.6382 -3.6382 7.9539 7.9539 8.1640 8.1640 8.2192 8.2192 9.2798 9.2798 9.3478 9.3478 9.4882 9.4882 9.9032 9.9032 9.9980 9.9980 10.0765 10.0765 12.1529 12.1529 12.2173 12.2173 12.3471 12.3471 15.9070 15.9070 16.0883 16.0883 k = 0.0536 0.0536-0.0000 ( 2530 PWs) bands (ev): -48.7062 -48.7062 -24.5831 -24.5831 -22.1216 -22.1216 -22.1144 -22.1144 -22.0292 -22.0292 -6.6356 -6.6356 -5.9813 -5.9813 -5.9759 -5.9759 -4.7865 -4.7865 -3.6575 -3.6575 -3.6441 -3.6441 7.9726 7.9726 8.1860 8.1860 8.2275 8.2275 9.3315 9.3315 9.3821 9.3821 9.4873 9.4873 9.9469 9.9469 10.0362 10.0362 10.0975 10.0975 12.1186 12.1186 12.1707 12.1707 12.2929 12.2929 15.8849 15.8849 16.0191 16.0191 k = 0.0446 0.0446-0.0000 ( 2522 PWs) bands (ev): -48.7061 -48.7061 -24.5827 -24.5827 -22.1192 -22.1192 -22.1140 -22.1140 -22.0312 -22.0312 -6.6368 -6.6368 -5.9828 -5.9828 -5.9788 -5.9788 -4.7910 -4.7910 -3.6586 -3.6586 -3.6491 -3.6491 7.9876 7.9876 8.2052 8.2052 8.2347 8.2347 9.3763 9.3763 9.4123 9.4123 9.4866 9.4866 9.9840 9.9840 10.0718 10.0718 10.1167 10.1167 12.0885 12.0885 12.1281 12.1281 12.2468 12.2468 15.8655 15.8655 15.9593 15.9593 k = 0.0357 0.0357-0.0000 ( 2522 PWs) bands (ev): -48.7061 -48.7061 -24.5824 -24.5824 -22.1172 -22.1172 -22.1137 -22.1137 -22.0330 -22.0330 -6.6377 -6.6377 -5.9839 -5.9839 -5.9813 -5.9813 -4.7948 -4.7948 -3.6594 -3.6594 -3.6533 -3.6533 7.9993 7.9993 8.2213 8.2213 8.2406 8.2406 9.4136 9.4136 9.4377 9.4377 9.4863 9.4863 10.0140 10.0140 10.1035 10.1035 10.1336 10.1336 12.0630 12.0630 12.0905 12.0905 12.2093 12.2093 15.8492 15.8492 15.9096 15.9096 k = 0.0268 0.0268-0.0000 ( 2518 PWs) bands (ev): -48.7061 -48.7061 -24.5822 -24.5822 -22.1155 -22.1155 -22.1135 -22.1135 -22.0344 -22.0344 -6.6385 -6.6385 -5.9847 -5.9847 -5.9832 -5.9832 -4.7978 -4.7978 -3.6601 -3.6601 -3.6566 -3.6566 8.0080 8.0080 8.2342 8.2342 8.2452 8.2452 9.4427 9.4427 9.4577 9.4577 9.4866 9.4866 10.0369 10.0369 10.1302 10.1302 10.1478 10.1478 12.0425 12.0425 12.0591 12.0591 12.1805 12.1805 15.8362 15.8362 15.8703 15.8703 k = 0.0179 0.0179-0.0000 ( 2517 PWs) bands (ev): -48.7060 -48.7060 -24.5820 -24.5820 -22.1143 -22.1143 -22.1134 -22.1134 -22.0355 -22.0355 -6.6390 -6.6390 -5.9852 -5.9852 -5.9845 -5.9845 -4.8000 -4.8000 -3.6606 -3.6606 -3.6590 -3.6590 8.0141 8.0141 8.2435 8.2435 8.2485 8.2485 9.4631 9.4631 9.4714 9.4714 9.4885 9.4885 10.0529 10.0529 10.1505 10.1505 10.1585 10.1585 12.0276 12.0276 12.0353 12.0353 12.1603 12.1603 15.8268 15.8268 15.8420 15.8420 k = 0.0089 0.0089-0.0000 ( 2517 PWs) bands (ev): -48.7061 -48.7061 -24.5819 -24.5819 -22.1135 -22.1135 -22.1133 -22.1133 -22.0362 -22.0362 -6.6394 -6.6394 -5.9855 -5.9855 -5.9853 -5.9853 -4.8013 -4.8013 -3.6609 -3.6609 -3.6605 -3.6605 8.0177 8.0177 8.2492 8.2492 8.2504 8.2504 9.4749 9.4749 9.4774 9.4774 9.4924 9.4924 10.0622 10.0622 10.1631 10.1631 10.1652 10.1652 12.0185 12.0185 12.0205 12.0205 12.1483 12.1483 15.8211 15.8211 15.8249 15.8249 k = 0.0000 0.0000 0.0000 ( 2517 PWs) bands (ev): -48.7061 -48.7061 -24.5819 -24.5819 -22.1132 -22.1132 -22.1132 -22.1132 -22.0364 -22.0364 -6.6395 -6.6395 -5.9856 -5.9856 -5.9856 -5.9856 -4.8017 -4.8017 -3.6609 -3.6609 -3.6609 -3.6609 8.0188 8.0188 8.2511 8.2511 8.2511 8.2511 9.4787 9.4787 9.4787 9.4787 9.4946 9.4946 10.0653 10.0653 10.1674 10.1674 10.1674 10.1674 12.0154 12.0154 12.0154 12.0154 12.1443 12.1443 15.8191 15.8191 15.8191 15.8191 k = 0.0000 0.0000 0.0000 ( 2517 PWs) bands (ev): -48.7061 -48.7061 -24.5819 -24.5819 -22.1132 -22.1132 -22.1132 -22.1132 -22.0364 -22.0364 -6.6395 -6.6395 -5.9856 -5.9856 -5.9856 -5.9856 -4.8017 -4.8017 -3.6609 -3.6609 -3.6609 -3.6609 8.0188 8.0188 8.2511 8.2511 8.2511 8.2511 9.4787 9.4787 9.4787 9.4787 9.4946 9.4946 10.0653 10.0653 10.1674 10.1674 10.1674 10.1674 12.0154 12.0154 12.0154 12.0154 12.1443 12.1443 15.8191 15.8191 15.8191 15.8191 k = 0.0072 0.0072 0.0072 ( 2517 PWs) bands (ev): -48.7061 -48.7061 -24.5819 -24.5819 -22.1135 -22.1135 -22.1133 -22.1133 -22.0362 -22.0362 -6.6394 -6.6394 -5.9855 -5.9855 -5.9854 -5.9854 -4.8013 -4.8013 -3.6608 -3.6608 -3.6605 -3.6605 8.0177 8.0177 8.2493 8.2493 8.2503 8.2503 9.4748 9.4748 9.4775 9.4775 9.4925 9.4925 10.0623 10.0623 10.1636 10.1636 10.1647 10.1647 12.0190 12.0190 12.0198 12.0198 12.1482 12.1482 15.8229 15.8229 15.8230 15.8230 k = 0.0145 0.0145 0.0145 ( 2517 PWs) bands (ev): -48.7061 -48.7061 -24.5820 -24.5820 -22.1142 -22.1142 -22.1134 -22.1134 -22.0355 -22.0355 -6.6390 -6.6390 -5.9851 -5.9851 -5.9846 -5.9846 -4.8000 -4.8000 -3.6605 -3.6605 -3.6591 -3.6591 8.0142 8.0142 8.2441 8.2441 8.2480 8.2480 9.4633 9.4633 9.4704 9.4704 9.4897 9.4897 10.0532 10.0532 10.1525 10.1525 10.1566 10.1566 12.0299 12.0299 12.0329 12.0329 12.1599 12.1599 15.8341 15.8341 15.8344 15.8344 k = 0.0217 0.0217 0.0217 ( 2517 PWs) bands (ev): -48.7060 -48.7060 -24.5822 -24.5822 -22.1153 -22.1153 -22.1136 -22.1136 -22.0344 -22.0344 -6.6385 -6.6385 -5.9845 -5.9845 -5.9834 -5.9834 -4.7978 -4.7978 -3.6600 -3.6600 -3.6568 -3.6568 8.0083 8.0083 8.2355 8.2355 8.2440 8.2440 9.4442 9.4442 9.4534 9.4534 9.4904 9.4904 10.0379 10.0379 10.1344 10.1344 10.1433 10.1433 12.0475 12.0475 12.0542 12.0542 12.1791 12.1791 15.8527 15.8527 15.8533 15.8533 k = 0.0290 0.0290 0.0290 ( 2523 PWs) bands (ev): -48.7061 -48.7061 -24.5824 -24.5824 -22.1169 -22.1169 -22.1140 -22.1140 -22.0330 -22.0330 -6.6376 -6.6376 -5.9837 -5.9837 -5.9817 -5.9817 -4.7949 -4.7949 -3.6592 -3.6592 -3.6536 -3.6536 7.9999 7.9999 8.2236 8.2236 8.2385 8.2385 9.4179 9.4179 9.4280 9.4280 9.4933 9.4933 10.0165 10.0165 10.1103 10.1103 10.1253 10.1253 12.0716 12.0716 12.0834 12.0834 12.2055 12.2055 15.8785 15.8785 15.8797 15.8797 k = 0.0362 0.0362 0.0362 ( 2523 PWs) bands (ev): -48.7061 -48.7061 -24.5827 -24.5827 -22.1188 -22.1188 -22.1144 -22.1144 -22.0313 -22.0313 -6.6365 -6.6365 -5.9826 -5.9826 -5.9795 -5.9795 -4.7911 -4.7911 -3.6583 -3.6583 -3.6496 -3.6496 7.9888 7.9888 8.2086 8.2086 8.2312 8.2312 9.3849 9.3849 9.3955 9.3955 9.4977 9.4977 9.9887 9.9887 10.0814 10.0814 10.1031 10.1031 12.1016 12.1016 12.1197 12.1197 12.2386 12.2386 15.9115 15.9115 15.9132 15.9132 k = 0.0435 0.0435 0.0435 ( 2529 PWs) bands (ev): -48.7061 -48.7061 -24.5831 -24.5831 -22.1209 -22.1209 -22.1149 -22.1149 -22.0293 -22.0293 -6.6351 -6.6351 -5.9812 -5.9812 -5.9767 -5.9767 -4.7866 -4.7866 -3.6572 -3.6572 -3.6447 -3.6447 7.9748 7.9748 8.1907 8.1907 8.2221 8.2221 9.3457 9.3457 9.3565 9.3565 9.5033 9.5033 9.9542 9.9542 10.0492 10.0492 10.0772 10.0772 12.1369 12.1369 12.1624 12.1624 12.2779 12.2779 15.9513 15.9513 15.9537 15.9537 k = 0.0507 0.0507 0.0507 ( 2523 PWs) bands (ev): -48.7060 -48.7060 -24.5834 -24.5834 -22.1233 -22.1233 -22.1155 -22.1155 -22.0271 -22.0271 -6.6334 -6.6334 -5.9795 -5.9795 -5.9735 -5.9735 -4.7813 -4.7813 -3.6559 -3.6559 -3.6390 -3.6390 7.9577 7.9577 8.1703 8.1703 8.2112 8.2112 9.3009 9.3009 9.3119 9.3119 9.5099 9.5099 9.9127 9.9127 10.0150 10.0150 10.0483 10.0483 12.1769 12.1769 12.2107 12.2107 12.3229 12.3229 15.9977 15.9977 16.0009 16.0009 k = 0.0580 0.0580 0.0580 ( 2523 PWs) bands (ev): -48.7060 -48.7060 -24.5839 -24.5839 -22.1258 -22.1258 -22.1162 -22.1162 -22.0247 -22.0247 -6.6312 -6.6312 -5.9776 -5.9776 -5.9698 -5.9698 -4.7754 -4.7754 -3.6545 -3.6545 -3.6325 -3.6325 7.9373 7.9373 8.1475 8.1475 8.1983 8.1983 9.2510 9.2510 9.2620 9.2620 9.5176 9.5176 9.8644 9.8644 9.9799 9.9799 10.0169 10.0169 12.2211 12.2211 12.2639 12.2639 12.3728 12.3728 16.0504 16.0504 16.0544 16.0544 k = 0.0652 0.0652 0.0652 ( 2526 PWs) bands (ev): -48.7060 -48.7060 -24.5844 -24.5844 -22.1285 -22.1285 -22.1169 -22.1169 -22.0223 -22.0223 -6.6287 -6.6287 -5.9754 -5.9754 -5.9656 -5.9656 -4.7689 -4.7689 -3.6529 -3.6529 -3.6253 -3.6253 7.9133 7.9133 8.1227 8.1227 8.1834 8.1834 9.1966 9.1966 9.2077 9.2077 9.5264 9.5264 9.8099 9.8099 9.9444 9.9444 9.9838 9.9838 12.2691 12.2691 12.3212 12.3212 12.4271 12.4271 16.1091 16.1091 16.1141 16.1141 k = 0.0725 0.0725 0.0725 ( 2526 PWs) bands (ev): -48.7060 -48.7060 -24.5850 -24.5850 -22.1313 -22.1313 -22.1178 -22.1178 -22.0198 -22.0198 -6.6257 -6.6257 -5.9729 -5.9729 -5.9609 -5.9609 -4.7619 -4.7619 -3.6513 -3.6513 -3.6175 -3.6175 7.8855 7.8855 8.0962 8.0962 8.1662 8.1662 9.1384 9.1384 9.1493 9.1493 9.5361 9.5361 9.7500 9.7500 9.9091 9.9091 9.9493 9.9493 12.3205 12.3205 12.3821 12.3821 12.4853 12.4853 16.1736 16.1736 16.1794 16.1794 k = 0.0797 0.0797 0.0797 ( 2538 PWs) bands (ev): -48.7061 -48.7061 -24.5856 -24.5856 -22.1341 -22.1341 -22.1187 -22.1187 -22.0173 -22.0173 -6.6222 -6.6222 -5.9700 -5.9700 -5.9556 -5.9556 -4.7544 -4.7544 -3.6495 -3.6495 -3.6091 -3.6091 7.8539 7.8539 8.0682 8.0682 8.1466 8.1466 9.0768 9.0768 9.0876 9.0876 9.5468 9.5468 9.6855 9.6855 9.8739 9.8739 9.9143 9.9143 12.3749 12.3749 12.4459 12.4459 12.5466 12.5466 16.2434 16.2434 16.2501 16.2501 k = 0.0870 0.0870 0.0870 ( 2532 PWs) bands (ev): -48.7060 -48.7060 -24.5863 -24.5863 -22.1369 -22.1369 -22.1197 -22.1197 -22.0148 -22.0148 -6.6181 -6.6181 -5.9668 -5.9668 -5.9499 -5.9499 -4.7465 -4.7465 -3.6477 -3.6477 -3.6001 -3.6001 7.8184 7.8184 8.0386 8.0386 8.1247 8.1247 9.0125 9.0125 9.0229 9.0229 9.5583 9.5583 9.6173 9.6173 9.8394 9.8394 9.8792 9.8792 12.4320 12.4320 12.5121 12.5121 12.6107 12.6107 16.3182 16.3182 16.3257 16.3257 k = 0.0942 0.0942 0.0942 ( 2532 PWs) bands (ev): -48.7059 -48.7059 -24.5870 -24.5870 -22.1397 -22.1397 -22.1208 -22.1208 -22.0124 -22.0124 -6.6135 -6.6135 -5.9633 -5.9633 -5.9436 -5.9436 -4.7383 -4.7383 -3.6459 -3.6459 -3.5906 -3.5906 7.7793 7.7793 8.0076 8.0076 8.1001 8.1001 8.9458 8.9458 8.9559 8.9559 9.5448 9.5448 9.5718 9.5718 9.8056 9.8056 9.8445 9.8445 12.4918 12.4918 12.5803 12.5803 12.6771 12.6771 16.3977 16.3977 16.4060 16.4060 k = 0.1014 0.1014 0.1014 ( 2532 PWs) bands (ev): -48.7059 -48.7059 -24.5878 -24.5878 -22.1425 -22.1425 -22.1220 -22.1220 -22.0100 -22.0100 -6.6081 -6.6081 -5.9594 -5.9594 -5.9368 -5.9368 -4.7298 -4.7298 -3.6440 -3.6440 -3.5807 -3.5807 7.7366 7.7366 7.9752 7.9752 8.0729 8.0729 8.8771 8.8771 8.8868 8.8868 9.4709 9.4709 9.5849 9.5849 9.7731 9.7731 9.8107 9.8107 12.5539 12.5539 12.6501 12.6501 12.7454 12.7454 16.4815 16.4815 16.4904 16.4904 k = 0.1087 0.1087 0.1087 ( 2526 PWs) bands (ev): -48.7057 -48.7057 -24.5886 -24.5886 -22.1453 -22.1453 -22.1232 -22.1232 -22.0077 -22.0077 -6.6021 -6.6021 -5.9551 -5.9551 -5.9296 -5.9296 -4.7211 -4.7211 -3.6422 -3.6422 -3.5706 -3.5706 7.6908 7.6908 7.9411 7.9411 8.0429 8.0429 8.8068 8.8068 8.8161 8.8161 9.3944 9.3944 9.5993 9.5993 9.7421 9.7421 9.7784 9.7784 12.6181 12.6181 12.7212 12.7212 12.8152 12.8152 16.5693 16.5693 16.5785 16.5785 k = 0.1159 0.1159 0.1159 ( 2538 PWs) bands (ev): -48.7058 -48.7058 -24.5895 -24.5895 -22.1480 -22.1480 -22.1245 -22.1245 -22.0055 -22.0055 -6.5953 -6.5953 -5.9504 -5.9504 -5.9218 -5.9218 -4.7123 -4.7123 -3.6404 -3.6404 -3.5602 -3.5602 7.6423 7.6423 7.9052 7.9052 8.0101 8.0101 8.7353 8.7353 8.7441 8.7441 9.3159 9.3159 9.6146 9.6146 9.7129 9.7129 9.7479 9.7479 12.6844 12.6844 12.7934 12.7934 12.8864 12.8864 16.6607 16.6607 16.6697 16.6697 k = 0.1232 0.1232 0.1232 ( 2536 PWs) bands (ev): -48.7058 -48.7058 -24.5904 -24.5904 -22.1506 -22.1506 -22.1259 -22.1259 -22.0034 -22.0034 -6.5877 -6.5877 -5.9453 -5.9453 -5.9134 -5.9134 -4.7035 -4.7035 -3.6388 -3.6388 -3.5496 -3.5496 7.5913 7.5913 7.8675 7.8675 7.9746 7.9746 8.6627 8.6627 8.6712 8.6712 9.2359 9.2359 9.6308 9.6308 9.6859 9.6859 9.7196 9.7196 12.7526 12.7526 12.8663 12.8663 12.9585 12.9585 16.7553 16.7553 16.7632 16.7632 k = 0.1304 0.1304 0.1304 ( 2524 PWs) bands (ev): -48.7055 -48.7055 -24.5913 -24.5913 -22.1530 -22.1530 -22.1273 -22.1273 -22.0015 -22.0015 -6.5792 -6.5792 -5.9398 -5.9398 -5.9046 -5.9046 -4.6947 -4.6947 -3.6372 -3.6372 -3.5390 -3.5390 7.5383 7.5383 7.8278 7.8278 7.9363 7.9363 8.5895 8.5895 8.5975 8.5975 9.1545 9.1545 9.6475 9.6475 9.6617 9.6617 9.6939 9.6939 12.8226 12.8226 12.9399 12.9399 13.0315 13.0315 16.8526 16.8526 16.8579 16.8579 k = 0.1377 0.1377 0.1377 ( 2530 PWs) bands (ev): -48.7055 -48.7055 -24.5923 -24.5923 -22.1555 -22.1555 -22.1288 -22.1288 -21.9996 -21.9996 -6.5699 -6.5699 -5.9339 -5.9339 -5.8952 -5.8952 -4.6861 -4.6861 -3.6358 -3.6358 -3.5284 -3.5284 7.4837 7.4837 7.7861 7.7861 7.8953 7.8953 8.5157 8.5157 8.5234 8.5234 9.0720 9.0720 9.6390 9.6390 9.6660 9.6660 9.6709 9.6709 12.8941 12.8941 13.0140 13.0140 13.1051 13.1051 16.9515 16.9515 16.9517 16.9517 k = 0.1449 0.1449 0.1449 ( 2536 PWs) bands (ev): -48.7056 -48.7056 -24.5933 -24.5933 -22.1578 -22.1578 -22.1304 -22.1304 -21.9980 -21.9980 -6.5596 -6.5596 -5.9275 -5.9275 -5.8853 -5.8853 -4.6776 -4.6776 -3.6346 -3.6346 -3.5179 -3.5179 7.4279 7.4279 7.7425 7.7425 7.8517 7.8517 8.4417 8.4417 8.4490 8.4490 8.9887 8.9887 9.6200 9.6200 9.6508 9.6508 9.6845 9.6845 12.9671 12.9671 13.0883 13.0883 13.1792 13.1792 17.0417 17.0417 17.0502 17.0502 k = 0.1522 0.1522 0.1522 ( 2536 PWs) bands (ev): -48.7055 -48.7055 -24.5944 -24.5944 -22.1600 -22.1600 -22.1320 -22.1320 -21.9964 -21.9964 -6.5483 -6.5483 -5.9207 -5.9207 -5.8749 -5.8749 -4.6693 -4.6693 -3.6336 -3.6336 -3.5077 -3.5077 7.3713 7.3713 7.6968 7.6968 7.8055 7.8055 8.3676 8.3676 8.3747 8.3747 8.9047 8.9047 9.6039 9.6039 9.6339 9.6339 9.7038 9.7038 13.0414 13.0414 13.1630 13.1630 13.2537 13.2537 17.1282 17.1282 17.1430 17.1430 k = 0.1594 0.1594 0.1594 ( 2536 PWs) bands (ev): -48.7054 -48.7054 -24.5955 -24.5955 -22.1621 -22.1621 -22.1336 -22.1336 -21.9950 -21.9950 -6.5360 -6.5360 -5.9134 -5.9134 -5.8640 -5.8640 -4.6614 -4.6614 -3.6329 -3.6329 -3.4978 -3.4978 7.3142 7.3142 7.6492 7.6492 7.7571 7.7571 8.2936 8.2936 8.3005 8.3005 8.8201 8.8201 9.5908 9.5908 9.6201 9.6201 9.7239 9.7239 13.1169 13.1169 13.2378 13.2378 13.3286 13.3286 17.2125 17.2125 17.2294 17.2294 k = 0.1667 0.1667 0.1667 ( 2515 PWs) bands (ev): -48.7051 -48.7051 -24.5965 -24.5965 -22.1640 -22.1640 -22.1353 -22.1353 -21.9937 -21.9937 -6.5227 -6.5227 -5.9056 -5.9056 -5.8526 -5.8526 -4.6538 -4.6538 -3.6324 -3.6324 -3.4883 -3.4883 7.2570 7.2570 7.5997 7.5997 7.7064 7.7064 8.2200 8.2200 8.2267 8.2267 8.7352 8.7352 9.5807 9.5807 9.6095 9.6095 9.7446 9.7446 13.1934 13.1934 13.3126 13.3126 13.4037 13.4037 17.2961 17.2961 17.3139 17.3139 k = 0.1739 0.1739 0.1739 ( 2536 PWs) bands (ev): -48.7053 -48.7053 -24.5977 -24.5977 -22.1659 -22.1659 -22.1371 -22.1371 -21.9927 -21.9927 -6.5084 -6.5084 -5.8974 -5.8974 -5.8407 -5.8407 -4.6466 -4.6466 -3.6322 -3.6322 -3.4793 -3.4793 7.2000 7.2000 7.5485 7.5485 7.6537 7.6537 8.1470 8.1470 8.1535 8.1535 8.6500 8.6500 9.5738 9.5738 9.6021 9.6021 9.7660 9.7660 13.2707 13.2707 13.3875 13.3875 13.4789 13.4789 17.3793 17.3793 17.3980 17.3980 k = 0.1812 0.1812 0.1812 ( 2536 PWs) bands (ev): -48.7052 -48.7052 -24.5989 -24.5989 -22.1676 -22.1676 -22.1389 -22.1389 -21.9917 -21.9917 -6.4929 -6.4929 -5.8887 -5.8887 -5.8283 -5.8283 -4.6399 -4.6399 -3.6324 -3.6324 -3.4710 -3.4710 7.1436 7.1436 7.4957 7.4957 7.5991 7.5991 8.0747 8.0747 8.0810 8.0810 8.5647 8.5647 9.5699 9.5699 9.5978 9.5978 9.7880 9.7880 13.3488 13.3488 13.4624 13.4624 13.5543 13.5543 17.4623 17.4623 17.4821 17.4821 k = 0.1884 0.1884 0.1884 ( 2536 PWs) bands (ev): -48.7051 -48.7051 -24.6001 -24.6001 -22.1693 -22.1693 -22.1408 -22.1408 -21.9909 -21.9909 -6.4763 -6.4763 -5.8795 -5.8795 -5.8153 -5.8153 -4.6337 -4.6337 -3.6329 -3.6329 -3.4633 -3.4633 7.0879 7.0879 7.4414 7.4414 7.5427 7.5427 8.0034 8.0034 8.0095 8.0095 8.4793 8.4793 9.5690 9.5690 9.5966 9.5966 9.8106 9.8106 13.4275 13.4275 13.5372 13.5372 13.6297 13.6297 17.5449 17.5449 17.5660 17.5660 k = 0.1957 0.1957 0.1957 ( 2539 PWs) bands (ev): -48.7051 -48.7051 -24.6013 -24.6013 -22.1708 -22.1708 -22.1426 -22.1426 -21.9903 -21.9903 -6.4587 -6.4587 -5.8699 -5.8699 -5.8019 -5.8019 -4.6281 -4.6281 -3.6338 -3.6338 -3.4564 -3.4564 7.0334 7.0334 7.3858 7.3858 7.4847 7.4847 7.9334 7.9334 7.9391 7.9391 8.3941 8.3941 9.5710 9.5710 9.5983 9.5983 9.8337 9.8337 13.5065 13.5065 13.6119 13.6119 13.7052 13.7052 17.6269 17.6269 17.6496 17.6496 k = 0.2029 0.2029 0.2029 ( 2539 PWs) bands (ev): -48.7050 -48.7050 -24.6025 -24.6025 -22.1722 -22.1722 -22.1445 -22.1445 -21.9898 -21.9898 -6.4399 -6.4399 -5.8597 -5.8597 -5.7881 -5.7881 -4.6231 -4.6231 -3.6352 -3.6352 -3.4504 -3.4504 6.9802 6.9802 7.3289 7.3289 7.4253 7.4253 7.8647 7.8647 7.8700 7.8700 8.3090 8.3090 9.5758 9.5758 9.6029 9.6029 9.8573 9.8573 13.5858 13.5858 13.6864 13.6864 13.7806 13.7806 17.7080 17.7080 17.7324 17.7324 k = 0.2101 0.2101 0.2101 ( 2539 PWs) bands (ev): -48.7049 -48.7049 -24.6037 -24.6037 -22.1734 -22.1734 -22.1464 -22.1464 -21.9894 -21.9894 -6.4200 -6.4200 -5.8491 -5.8491 -5.7737 -5.7737 -4.6187 -4.6187 -3.6369 -3.6369 -3.4453 -3.4453 6.9286 6.9286 7.2710 7.2710 7.3645 7.3645 7.7978 7.7978 7.8024 7.8024 8.2243 8.2243 9.5834 9.5834 9.6103 9.6103 9.8814 9.8814 13.6651 13.6651 13.7607 13.7607 13.8559 13.8559 17.7878 17.7878 17.8142 17.8142 k = 0.2174 0.2174 0.2174 ( 2539 PWs) bands (ev): -48.7048 -48.7048 -24.6050 -24.6050 -22.1746 -22.1746 -22.1484 -22.1484 -21.9891 -21.9891 -6.3989 -6.3989 -5.8380 -5.8380 -5.7589 -5.7589 -4.6149 -4.6149 -3.6391 -3.6391 -3.4413 -3.4413 6.8788 6.8788 7.2121 7.2121 7.3025 7.3025 7.7326 7.7326 7.7364 7.7364 8.1399 8.1399 9.5937 9.5937 9.6202 9.6202 9.9058 9.9058 13.7443 13.7443 13.8349 13.8349 13.9311 13.9311 17.8659 17.8659 17.8944 17.8944 k = 0.2246 0.2246 0.2246 ( 2527 PWs) bands (ev): -48.7045 -48.7045 -24.6062 -24.6062 -22.1757 -22.1757 -22.1503 -22.1503 -21.9889 -21.9889 -6.3768 -6.3768 -5.8264 -5.8264 -5.7437 -5.7437 -4.6119 -4.6119 -3.6417 -3.6417 -3.4384 -3.4384 6.8310 6.8310 7.1524 7.1524 7.2395 7.2395 7.6694 7.6694 7.6721 7.6721 8.0560 8.0560 9.6064 9.6064 9.6327 9.6327 9.9306 9.9306 13.8233 13.8233 13.9087 13.9087 14.0061 14.0061 17.9420 17.9420 17.9725 17.9725 k = 0.2319 0.2319 0.2319 ( 2539 PWs) bands (ev): -48.7046 -48.7046 -24.6075 -24.6075 -22.1767 -22.1767 -22.1523 -22.1523 -21.9889 -21.9889 -6.3535 -6.3535 -5.8144 -5.8144 -5.7281 -5.7281 -4.6096 -4.6096 -3.6449 -3.6449 -3.4366 -3.4366 6.7853 6.7853 7.0920 7.0920 7.1756 7.1756 7.6083 7.6083 7.6098 7.6098 7.9728 7.9728 9.6216 9.6216 9.6476 9.6476 9.9558 9.9558 13.9018 13.9018 13.9822 13.9822 14.0809 14.0809 18.0154 18.0154 18.0470 18.0470 k = 0.2391 0.2391 0.2391 ( 2542 PWs) bands (ev): -48.7046 -48.7046 -24.6087 -24.6087 -22.1776 -22.1776 -22.1543 -22.1543 -21.9889 -21.9889 -6.3291 -6.3291 -5.8019 -5.8019 -5.7120 -5.7120 -4.6081 -4.6081 -3.6485 -3.6485 -3.4361 -3.4361 6.7420 6.7420 7.0312 7.0312 7.1109 7.1109 7.5493 7.5493 7.5494 7.5494 7.8902 7.8902 9.6391 9.6391 9.6647 9.6647 9.9811 9.9811 13.9798 13.9798 14.0554 14.0554 14.1553 14.1553 18.0856 18.0856 18.1019 18.1019 k = 0.2464 0.2464 0.2464 ( 2542 PWs) bands (ev): -48.7045 -48.7045 -24.6100 -24.6100 -22.1785 -22.1785 -22.1563 -22.1563 -21.9890 -21.9890 -6.3037 -6.3037 -5.7889 -5.7889 -5.6956 -5.6956 -4.6073 -4.6073 -3.6525 -3.6525 -3.4368 -3.4368 6.7011 6.7011 6.9700 6.9700 7.0456 7.0456 7.4910 7.4910 7.4927 7.4927 7.8084 7.8084 9.6587 9.6587 9.6840 9.6840 10.0067 10.0067 14.0572 14.0572 14.1281 14.1281 14.2294 14.2294 18.1292 18.1292 18.1520 18.1520 k = 0.2536 0.2536 0.2536 ( 2542 PWs) bands (ev): -48.7044 -48.7044 -24.6113 -24.6113 -22.1793 -22.1793 -22.1583 -22.1583 -21.9892 -21.9892 -6.2772 -6.2772 -5.7755 -5.7755 -5.6788 -5.6788 -4.6073 -4.6073 -3.6571 -3.6571 -3.4389 -3.4389 6.6626 6.6626 6.9086 6.9086 6.9800 6.9800 7.4347 7.4347 7.4383 7.4383 7.7276 7.7276 9.6804 9.6804 9.7053 9.7053 10.0325 10.0325 14.1337 14.1337 14.2004 14.2004 14.3030 14.3030 18.1523 18.1523 18.2138 18.2138 k = 0.2609 0.2609 0.2609 ( 2533 PWs) bands (ev): -48.7042 -48.7042 -24.6125 -24.6125 -22.1800 -22.1800 -22.1602 -22.1602 -21.9894 -21.9894 -6.2497 -6.2497 -5.7617 -5.7617 -5.6617 -5.6617 -4.6081 -4.6081 -3.6622 -3.6622 -3.4422 -3.4422 6.6267 6.6267 6.8473 6.8473 6.9142 6.9142 7.3805 7.3805 7.3861 7.3861 7.6478 7.6478 9.7040 9.7040 9.7285 9.7285 10.0584 10.0584 14.2094 14.2094 14.2721 14.2721 14.3761 14.3761 18.1729 18.1729 18.2701 18.2701 k = 0.2681 0.2681 0.2681 ( 2521 PWs) bands (ev): -48.7039 -48.7039 -24.6137 -24.6137 -22.1806 -22.1806 -22.1621 -22.1621 -21.9897 -21.9897 -6.2212 -6.2212 -5.7475 -5.7475 -5.6443 -5.6443 -4.6097 -4.6097 -3.6677 -3.6677 -3.4470 -3.4470 6.5933 6.5933 6.7863 6.7863 6.8484 6.8484 7.3285 7.3285 7.3362 7.3362 7.5690 7.5690 9.7295 9.7295 9.7536 9.7536 10.0843 10.0843 14.2840 14.2840 14.3433 14.3433 14.4485 14.4485 18.1912 18.1912 18.3202 18.3202 k = 0.2754 0.2754 0.2754 ( 2521 PWs) bands (ev): -48.7039 -48.7039 -24.6149 -24.6149 -22.1813 -22.1813 -22.1641 -22.1641 -21.9900 -21.9900 -6.1917 -6.1917 -5.7329 -5.7329 -5.6266 -5.6266 -4.6121 -4.6121 -3.6738 -3.6738 -3.4531 -3.4531 6.5623 6.5623 6.7258 6.7258 6.7829 6.7829 7.2786 7.2786 7.2885 7.2885 7.4916 7.4916 9.7567 9.7567 9.7803 9.7803 10.1103 10.1103 14.3575 14.3575 14.4137 14.4137 14.5202 14.5202 18.2070 18.2070 18.3629 18.3629 k = 0.2826 0.2826 0.2826 ( 2515 PWs) bands (ev): -48.7037 -48.7037 -24.6161 -24.6161 -22.1819 -22.1819 -22.1660 -22.1660 -21.9903 -21.9903 -6.1614 -6.1614 -5.7179 -5.7179 -5.6086 -5.6086 -4.6154 -4.6154 -3.6803 -3.6803 -3.4605 -3.4605 6.5334 6.5334 6.6664 6.6664 6.7178 6.7178 7.2309 7.2309 7.2430 7.2430 7.4155 7.4155 9.7854 9.7854 9.8085 9.8085 10.1362 10.1362 14.4299 14.4299 14.4835 14.4835 14.5912 14.5912 18.2204 18.2204 18.3973 18.3973 k = 0.2899 0.2899 0.2899 ( 2509 PWs) bands (ev): -48.7035 -48.7035 -24.6173 -24.6173 -22.1825 -22.1825 -22.1679 -22.1679 -21.9907 -21.9907 -6.1301 -6.1301 -5.7025 -5.7025 -5.5904 -5.5904 -4.6195 -4.6195 -3.6872 -3.6872 -3.4693 -3.4693 6.5060 6.5060 6.6088 6.6088 6.6534 6.6534 7.1852 7.1852 7.1995 7.1995 7.3410 7.3410 9.8156 9.8156 9.8383 9.8383 10.1620 10.1620 14.5010 14.5010 14.5524 14.5524 14.6612 14.6612 18.2311 18.2311 18.4224 18.4224 k = 0.2971 0.2971 0.2971 ( 2503 PWs) bands (ev): -48.7033 -48.7033 -24.6184 -24.6184 -22.1831 -22.1831 -22.1698 -22.1698 -21.9910 -21.9910 -6.0981 -6.0981 -5.6868 -5.6868 -5.5720 -5.5720 -4.6244 -4.6244 -3.6946 -3.6946 -3.4794 -3.4794 6.4783 6.4783 6.5549 6.5549 6.5897 6.5897 7.1416 7.1416 7.1581 7.1581 7.2681 7.2681 9.8472 9.8472 9.8693 9.8693 10.1876 10.1876 14.5707 14.5707 14.6203 14.6203 14.7302 14.7302 18.2389 18.2389 18.4377 18.4377 k = 0.3043 0.3043 0.3043 ( 2503 PWs) bands (ev): -48.7033 -48.7033 -24.6196 -24.6196 -22.1838 -22.1838 -22.1717 -22.1717 -21.9913 -21.9913 -6.0652 -6.0652 -5.6709 -5.6709 -5.5535 -5.5535 -4.6301 -4.6301 -3.7025 -3.7025 -3.4909 -3.4909 6.4457 6.4457 6.5092 6.5092 6.5271 6.5271 7.1000 7.1000 7.1187 7.1187 7.1970 7.1970 9.8799 9.8799 9.9015 9.9015 10.2130 10.2130 14.6391 14.6391 14.6873 14.6873 14.7982 14.7982 18.2436 18.2436 18.4429 18.4429 k = 0.3116 0.3116 0.3116 ( 2503 PWs) bands (ev): -48.7032 -48.7032 -24.6208 -24.6208 -22.1844 -22.1844 -22.1735 -22.1735 -21.9916 -21.9916 -6.0317 -6.0317 -5.6546 -5.6546 -5.5349 -5.5349 -4.6367 -4.6367 -3.7107 -3.7107 -3.5036 -3.5036 6.4031 6.4031 6.4656 6.4656 6.4769 6.4769 7.0603 7.0603 7.0813 7.0813 7.1280 7.1280 9.9137 9.9137 9.9348 9.9348 10.2382 10.2382 14.7060 14.7060 14.7532 14.7532 14.8649 14.8649 18.2450 18.2450 18.4380 18.4380 k = 0.3188 0.3188 0.3188 ( 2497 PWs) bands (ev): -48.7030 -48.7030 -24.6219 -24.6219 -22.1850 -22.1850 -22.1753 -22.1753 -21.9919 -21.9919 -5.9976 -5.9976 -5.6381 -5.6381 -5.5162 -5.5162 -4.6441 -4.6441 -3.7193 -3.7193 -3.5175 -3.5175 6.3533 6.3533 6.4054 6.4054 6.4553 6.4553 7.0222 7.0222 7.0457 7.0457 7.0615 7.0615 9.9485 9.9485 9.9690 9.9690 10.2630 10.2630 14.7714 14.7714 14.8179 14.8179 14.9305 14.9305 18.2429 18.2429 18.4236 18.4236 k = 0.3261 0.3261 0.3261 ( 2497 PWs) bands (ev): -48.7029 -48.7029 -24.6230 -24.6230 -22.1857 -22.1857 -22.1770 -22.1770 -21.9921 -21.9921 -5.9628 -5.9628 -5.6214 -5.6214 -5.4974 -5.4974 -4.6523 -4.6523 -3.7282 -3.7282 -3.5325 -3.5325 6.3013 6.3013 6.3466 6.3466 6.4392 6.4392 6.9841 6.9841 6.9994 6.9994 7.0119 7.0119 9.9840 9.9840 10.0040 10.0040 10.2874 10.2874 14.8353 14.8353 14.8814 14.8814 14.9947 14.9947 18.2369 18.2369 18.4006 18.4006 k = 0.3333 0.3333 0.3333 ( 2509 PWs) bands (ev): -48.7030 -48.7030 -24.6241 -24.6241 -22.1864 -22.1864 -22.1788 -22.1788 -21.9923 -21.9923 -5.9276 -5.9276 -5.6045 -5.6045 -5.4787 -5.4787 -4.6613 -4.6613 -3.7375 -3.7375 -3.5486 -3.5486 6.2491 6.2491 6.2893 6.2893 6.4263 6.4263 6.9319 6.9319 6.9558 6.9558 6.9799 6.9799 10.0201 10.0201 10.0397 10.0397 10.3114 10.3114 14.8976 14.8976 14.9434 14.9434 15.0575 15.0575 18.2270 18.2270 18.3700 18.3700 k = 0.3406 0.3406 0.3406 ( 2497 PWs) bands (ev): -48.7028 -48.7028 -24.6251 -24.6251 -22.1871 -22.1871 -22.1804 -22.1804 -21.9924 -21.9924 -5.8918 -5.8918 -5.5875 -5.5875 -5.4601 -5.4601 -4.6710 -4.6710 -3.7470 -3.7470 -3.5657 -3.5657 6.1977 6.1977 6.2338 6.2338 6.4154 6.4154 6.8741 6.8741 6.9228 6.9228 6.9497 6.9497 10.0568 10.0568 10.0758 10.0758 10.3349 10.3349 14.9583 14.9583 15.0039 15.0039 15.1187 15.1187 18.2129 18.2129 18.3329 18.3329 k = 0.3478 0.3478 0.3478 ( 2497 PWs) bands (ev): -48.7027 -48.7027 -24.6262 -24.6262 -22.1878 -22.1878 -22.1821 -22.1821 -21.9925 -21.9925 -5.8558 -5.8558 -5.5704 -5.5704 -5.4416 -5.4416 -4.6816 -4.6816 -3.7567 -3.7567 -3.5837 -3.5837 6.1477 6.1477 6.1800 6.1800 6.4055 6.4055 6.8191 6.8191 6.8923 6.8923 6.9211 6.9211 10.0938 10.0938 10.1123 10.1123 10.3578 10.3578 15.0173 15.0173 15.0629 15.0629 15.1784 15.1784 18.1946 18.1946 18.2904 18.2904 k = 0.3551 0.3551 0.3551 ( 2503 PWs) bands (ev): -48.7027 -48.7027 -24.6272 -24.6272 -22.1886 -22.1886 -22.1837 -22.1837 -21.9926 -21.9926 -5.8194 -5.8194 -5.5532 -5.5532 -5.4233 -5.4233 -4.6929 -4.6929 -3.7666 -3.7666 -3.6025 -3.6025 6.0991 6.0991 6.1281 6.1281 6.3960 6.3960 6.7681 6.7681 6.8637 6.8637 6.8941 6.8941 10.1309 10.1309 10.1489 10.1489 10.3801 10.3801 15.0747 15.0747 15.1201 15.1201 15.2365 15.2365 18.1720 18.1720 18.2438 18.2438 k = 0.3623 0.3623 0.3623 ( 2503 PWs) bands (ev): -48.7026 -48.7026 -24.6281 -24.6281 -22.1893 -22.1893 -22.1852 -22.1852 -21.9925 -21.9925 -5.7829 -5.7829 -5.5360 -5.5360 -5.4052 -5.4052 -4.7050 -4.7050 -3.7766 -3.7766 -3.6219 -3.6219 6.0523 6.0523 6.0782 6.0782 6.3859 6.3859 6.7218 6.7218 6.8369 6.8369 6.8688 6.8688 10.1680 10.1680 10.1856 10.1856 10.4018 10.4018 15.1304 15.1304 15.1756 15.1756 15.2927 15.2927 18.1451 18.1451 18.1938 18.1938 k = 0.3696 0.3696 0.3696 ( 2503 PWs) bands (ev): -48.7026 -48.7026 -24.6291 -24.6291 -22.1901 -22.1901 -22.1866 -22.1866 -21.9925 -21.9925 -5.7463 -5.7463 -5.5188 -5.5188 -5.3874 -5.3874 -4.7178 -4.7178 -3.7867 -3.7867 -3.6419 -3.6419 6.0072 6.0072 6.0303 6.0303 6.3741 6.3741 6.6813 6.6813 6.8119 6.8119 6.8450 6.8450 10.2049 10.2049 10.2220 10.2220 10.4227 10.4227 15.1843 15.1843 15.2291 15.2291 15.3471 15.3471 18.1141 18.1141 18.1415 18.1415 k = 0.3768 0.3768 0.3768 ( 2497 PWs) bands (ev): -48.7024 -48.7024 -24.6299 -24.6299 -22.1909 -22.1909 -22.1880 -22.1880 -21.9924 -21.9924 -5.7096 -5.7096 -5.5016 -5.5016 -5.3700 -5.3700 -4.7313 -4.7313 -3.7969 -3.7969 -3.6623 -3.6623 5.9641 5.9641 5.9846 5.9846 6.3595 6.3595 6.6474 6.6474 6.7885 6.7885 6.8228 6.8228 10.2414 10.2414 10.2581 10.2581 10.4428 10.4428 15.2365 15.2365 15.2806 15.2806 15.3996 15.3996 18.0792 18.0792 18.0877 18.0877 k = 0.3841 0.3841 0.3841 ( 2497 PWs) bands (ev): -48.7024 -48.7024 -24.6307 -24.6307 -22.1916 -22.1916 -22.1894 -22.1894 -21.9922 -21.9922 -5.6731 -5.6731 -5.4846 -5.4846 -5.3530 -5.3530 -4.7455 -4.7455 -3.8069 -3.8069 -3.6829 -3.6829 5.9231 5.9231 5.9411 5.9411 6.3415 6.3415 6.6208 6.6208 6.7668 6.7668 6.8020 6.8020 10.2773 10.2773 10.2936 10.2936 10.4621 10.4621 15.2868 15.2868 15.3299 15.3299 15.4500 15.4500 18.0331 18.0331 18.0405 18.0405 k = 0.3913 0.3913 0.3913 ( 2503 PWs) bands (ev): -48.7024 -48.7024 -24.6316 -24.6316 -22.1925 -22.1925 -22.1907 -22.1907 -21.9920 -21.9920 -5.6369 -5.6369 -5.4677 -5.4677 -5.3365 -5.3365 -4.7604 -4.7604 -3.8169 -3.8169 -3.7037 -3.7037 5.8841 5.8841 5.9000 5.9000 6.3198 6.3198 6.6014 6.6014 6.7467 6.7467 6.7826 6.7826 10.3124 10.3124 10.3283 10.3283 10.4806 10.4806 15.3353 15.3353 15.3771 15.3771 15.4984 15.4984 17.9785 17.9785 17.9961 17.9961 k = 0.3986 0.3986 0.3986 ( 2506 PWs) bands (ev): -48.7024 -48.7024 -24.6323 -24.6323 -22.1933 -22.1933 -22.1919 -22.1919 -21.9918 -21.9918 -5.6011 -5.6011 -5.4510 -5.4510 -5.3206 -5.3206 -4.7760 -4.7760 -3.8267 -3.8267 -3.7245 -3.7245 5.8474 5.8474 5.8611 5.8611 6.2949 6.2949 6.5886 6.5886 6.7283 6.7283 6.7647 6.7647 10.3466 10.3466 10.3621 10.3621 10.4981 10.4981 15.3818 15.3818 15.4218 15.4218 15.5445 15.5445 17.9244 17.9244 17.9418 17.9418 k = 0.4058 0.4058 0.4058 ( 2512 PWs) bands (ev): -48.7024 -48.7024 -24.6331 -24.6331 -22.1942 -22.1942 -22.1930 -22.1930 -21.9915 -21.9915 -5.5659 -5.5659 -5.4344 -5.4344 -5.3053 -5.3053 -4.7922 -4.7922 -3.8362 -3.8362 -3.7450 -3.7450 5.8129 5.8129 5.8247 5.8247 6.2679 6.2679 6.5811 6.5811 6.7115 6.7115 6.7482 6.7482 10.3795 10.3795 10.3948 10.3948 10.5146 10.5146 15.4264 15.4264 15.4641 15.4641 15.5882 15.5882 17.8713 17.8713 17.8870 17.8870 k = 0.4130 0.4130 0.4130 ( 2509 PWs) bands (ev): -48.7023 -48.7023 -24.6337 -24.6337 -22.1949 -22.1949 -22.1940 -22.1940 -21.9912 -21.9912 -5.5315 -5.5315 -5.4179 -5.4179 -5.2908 -5.2908 -4.8090 -4.8090 -3.8454 -3.8454 -3.7651 -3.7651 5.7808 5.7808 5.7908 5.7908 6.2400 6.2400 6.5776 6.5776 6.6965 6.6965 6.7330 6.7330 10.4111 10.4111 10.4261 10.4261 10.5301 10.5301 15.4688 15.4688 15.5039 15.5039 15.6296 15.6296 17.8200 17.8200 17.8338 17.8338 k = 0.4203 0.4203 0.4203 ( 2503 PWs) bands (ev): -48.7022 -48.7022 -24.6343 -24.6343 -22.1957 -22.1957 -22.1950 -22.1950 -21.9909 -21.9909 -5.4985 -5.4985 -5.4012 -5.4012 -5.2770 -5.2770 -4.8264 -4.8264 -3.8543 -3.8543 -3.7847 -3.7847 5.7510 5.7510 5.7594 5.7594 6.2122 6.2122 6.5767 6.5767 6.6832 6.6832 6.7191 6.7191 10.4410 10.4410 10.4558 10.4558 10.5446 10.5446 15.5089 15.5089 15.5409 15.5409 15.6685 15.6685 17.7707 17.7707 17.7828 17.7828 k = 0.4275 0.4275 0.4275 ( 2503 PWs) bands (ev): -48.7022 -48.7022 -24.6349 -24.6349 -22.1964 -22.1964 -22.1959 -22.1959 -21.9906 -21.9906 -5.4672 -5.4672 -5.3842 -5.3842 -5.2642 -5.2642 -4.8443 -4.8443 -3.8626 -3.8626 -3.8034 -3.8034 5.7236 5.7236 5.7306 5.7306 6.1853 6.1853 6.5774 6.5774 6.6718 6.6718 6.7065 6.7065 10.4691 10.4691 10.4837 10.4837 10.5580 10.5580 15.5466 15.5466 15.5752 15.5752 15.7047 15.7047 17.7241 17.7241 17.7346 17.7346 k = 0.4348 0.4348 0.4348 ( 2500 PWs) bands (ev): -48.7021 -48.7021 -24.6354 -24.6354 -22.1971 -22.1971 -22.1967 -22.1967 -21.9903 -21.9903 -5.4387 -5.4387 -5.3661 -5.3661 -5.2522 -5.2522 -4.8627 -4.8627 -3.8705 -3.8705 -3.8212 -3.8212 5.6988 5.6988 5.7044 5.7044 6.1598 6.1598 6.5788 6.5788 6.6624 6.6624 6.6952 6.6952 10.4952 10.4952 10.5097 10.5097 10.5703 10.5703 15.5818 15.5818 15.6066 15.6066 15.7382 15.7382 17.6805 17.6805 17.6896 17.6896 k = 0.4420 0.4420 0.4420 ( 2494 PWs) bands (ev): -48.7020 -48.7020 -24.6358 -24.6358 -22.1976 -22.1976 -22.1974 -22.1974 -21.9900 -21.9900 -5.4138 -5.4138 -5.3462 -5.3462 -5.2413 -5.2413 -4.8814 -4.8814 -3.8777 -3.8777 -3.8378 -3.8378 5.6764 5.6764 5.6808 5.6808 6.1363 6.1363 6.5802 6.5802 6.6551 6.6551 6.6852 6.6852 10.5191 10.5191 10.5335 10.5335 10.5815 10.5815 15.6141 15.6141 15.6351 15.6351 15.7689 15.7689 17.6403 17.6403 17.6481 17.6481 k = 0.4493 0.4493 0.4493 ( 2500 PWs) bands (ev): -48.7021 -48.7021 -24.6363 -24.6363 -22.1982 -22.1982 -22.1981 -22.1981 -21.9898 -21.9898 -5.3934 -5.3934 -5.3241 -5.3241 -5.2315 -5.2315 -4.9005 -4.9005 -3.8843 -3.8843 -3.8531 -3.8531 5.6566 5.6566 5.6600 5.6600 6.1150 6.1150 6.5809 6.5809 6.6501 6.6501 6.6763 6.6763 10.5405 10.5405 10.5550 10.5550 10.5915 10.5915 15.6435 15.6435 15.6605 15.6605 15.7965 15.7965 17.6040 17.6040 17.6105 17.6105 k = 0.4565 0.4565 0.4565 ( 2497 PWs) bands (ev): -48.7020 -48.7020 -24.6366 -24.6366 -22.1987 -22.1987 -22.1987 -22.1987 -21.9895 -21.9895 -5.3774 -5.3774 -5.3002 -5.3002 -5.2228 -5.2228 -4.9196 -4.9196 -3.8902 -3.8902 -3.8668 -3.8668 5.6393 5.6393 5.6418 5.6418 6.0962 6.0962 6.5808 6.5808 6.6472 6.6472 6.6687 6.6687 10.5593 10.5593 10.5740 10.5740 10.6004 10.6004 15.6695 15.6695 15.6827 15.6827 15.8210 15.8210 17.5717 17.5717 17.5771 17.5771 k = 0.4638 0.4638 0.4638 ( 2497 PWs) bands (ev): -48.7020 -48.7020 -24.6369 -24.6369 -22.1991 -22.1991 -22.1991 -22.1991 -21.9893 -21.9893 -5.3649 -5.3649 -5.2759 -5.2759 -5.2154 -5.2154 -4.9384 -4.9384 -3.8952 -3.8952 -3.8787 -3.8787 5.6247 5.6247 5.6264 5.6264 6.0800 6.0800 6.5800 6.5800 6.6459 6.6459 6.6623 6.6623 10.5752 10.5752 10.5904 10.5904 10.6082 10.6082 15.6921 15.6921 15.7016 15.7016 15.8422 15.8422 17.5439 17.5439 17.5484 17.5484 k = 0.4710 0.4710 0.4710 ( 2503 PWs) bands (ev): -48.7020 -48.7020 -24.6372 -24.6372 -22.1996 -22.1996 -22.1995 -22.1995 -21.9891 -21.9891 -5.3553 -5.3553 -5.2525 -5.2525 -5.2092 -5.2092 -4.9565 -4.9565 -3.8995 -3.8995 -3.8887 -3.8887 5.6127 5.6127 5.6138 5.6138 6.0666 6.0666 6.5786 6.5786 6.6458 6.6458 6.6571 6.6571 10.5882 10.5882 10.6039 10.6039 10.6149 10.6149 15.7110 15.7110 15.7173 15.7173 15.8599 15.8599 17.5207 17.5207 17.5244 17.5244 k = 0.4783 0.4783 0.4783 ( 2512 PWs) bands (ev): -48.7022 -48.7022 -24.6375 -24.6375 -22.1999 -22.1999 -22.1999 -22.1999 -21.9890 -21.9890 -5.3481 -5.3481 -5.2313 -5.2313 -5.2044 -5.2044 -4.9732 -4.9732 -3.9028 -3.9028 -3.8967 -3.8967 5.6033 5.6033 5.6040 5.6040 6.0561 6.0561 6.5772 6.5772 6.6464 6.6464 6.6530 6.6530 10.5980 10.5980 10.6146 10.6146 10.6205 10.6205 15.7259 15.7259 15.7295 15.7295 15.8739 15.8739 17.5025 17.5025 17.5053 17.5053 k = 0.4855 0.4855 0.4855 ( 2512 PWs) bands (ev): -48.7021 -48.7021 -24.6376 -24.6376 -22.2001 -22.2001 -22.2001 -22.2001 -21.9889 -21.9889 -5.3431 -5.3431 -5.2139 -5.2139 -5.2009 -5.2009 -4.9870 -4.9870 -3.9052 -3.9052 -3.9025 -3.9025 5.5966 5.5966 5.5969 5.5969 6.0486 6.0486 6.5759 6.5759 6.6471 6.6471 6.6501 6.6501 10.6048 10.6048 10.6223 10.6223 10.6248 10.6248 15.7366 15.7366 15.7383 15.7383 15.8840 15.8840 17.4894 17.4894 17.4911 17.4911 k = 0.4928 0.4928 0.4928 ( 2512 PWs) bands (ev): -48.7021 -48.7021 -24.6377 -24.6377 -22.2002 -22.2002 -22.2002 -22.2002 -21.9888 -21.9888 -5.3401 -5.3401 -5.2023 -5.2023 -5.1988 -5.1988 -4.9965 -4.9965 -3.9067 -3.9067 -3.9060 -3.9060 5.5926 5.5926 5.5927 5.5927 6.0440 6.0440 6.5751 6.5751 6.6476 6.6476 6.6484 6.6484 10.6087 10.6087 10.6269 10.6269 10.6275 10.6275 15.7432 15.7432 15.7436 15.7436 15.8901 15.8901 17.4814 17.4814 17.4820 17.4820 k = 0.5000 0.5000 0.5000 ( 2512 PWs) bands (ev): -48.7021 -48.7021 -24.6377 -24.6377 -22.2003 -22.2003 -22.2003 -22.2003 -21.9888 -21.9888 -5.3392 -5.3392 -5.1981 -5.1981 -5.1981 -5.1981 -5.0000 -5.0000 -3.9072 -3.9072 -3.9072 -3.9072 5.5913 5.5913 5.5913 5.5913 6.0425 6.0425 6.5748 6.5748 6.6478 6.6478 6.6478 6.6478 10.6100 10.6100 10.6285 10.6285 10.6285 10.6285 15.7454 15.7454 15.7454 15.7454 15.8922 15.8922 17.4788 17.4788 17.4788 17.4788 k = 0.5000 0.5000 0.5000 ( 2512 PWs) bands (ev): -48.7021 -48.7021 -24.6377 -24.6377 -22.2003 -22.2003 -22.2003 -22.2003 -21.9888 -21.9888 -5.3392 -5.3392 -5.1981 -5.1981 -5.1981 -5.1981 -5.0000 -5.0000 -3.9072 -3.9072 -3.9072 -3.9072 5.5913 5.5913 5.5913 5.5913 6.0425 6.0425 6.5748 6.5748 6.6478 6.6478 6.6478 6.6478 10.6100 10.6100 10.6285 10.6285 10.6285 10.6285 15.7454 15.7454 15.7454 15.7454 15.8922 15.8922 17.4788 17.4788 17.4788 17.4788 k = 0.4911 0.5000 0.4911 ( 2512 PWs) bands (ev): -48.7021 -48.7021 -24.6377 -24.6377 -22.2003 -22.2003 -22.2002 -22.2002 -21.9888 -21.9888 -5.3402 -5.3402 -5.2022 -5.2022 -5.1990 -5.1990 -4.9965 -4.9965 -3.9066 -3.9066 -3.9060 -3.9060 5.5920 5.5920 5.5934 5.5934 6.0440 6.0440 6.5751 6.5751 6.6475 6.6475 6.6485 6.6485 10.6087 10.6087 10.6268 10.6268 10.6276 10.6276 15.7429 15.7429 15.7438 15.7438 15.8901 15.8901 17.4811 17.4811 17.4822 17.4822 k = 0.4821 0.5000 0.4821 ( 2512 PWs) bands (ev): -48.7021 -48.7021 -24.6376 -24.6376 -22.2002 -22.2002 -22.2000 -22.2000 -21.9889 -21.9889 -5.3432 -5.3432 -5.2136 -5.2136 -5.2015 -5.2015 -4.9868 -4.9868 -3.9050 -3.9050 -3.9026 -3.9026 5.5940 5.5940 5.5997 5.5997 6.0487 6.0487 6.5759 6.5759 6.6467 6.6467 6.6506 6.6506 10.6046 10.6046 10.6219 10.6219 10.6251 10.6251 15.7357 15.7357 15.7391 15.7391 15.8839 15.8839 17.4878 17.4878 17.4915 17.4915 k = 0.4732 0.5000 0.4732 ( 2512 PWs) bands (ev): -48.7022 -48.7022 -24.6374 -24.6374 -22.2001 -22.2001 -22.1996 -22.1996 -21.9890 -21.9890 -5.3482 -5.3482 -5.2305 -5.2305 -5.2058 -5.2058 -4.9727 -4.9727 -3.9024 -3.9024 -3.8969 -3.8969 5.5972 5.5972 5.6102 5.6102 6.0565 6.0565 6.5770 6.5770 6.6455 6.6455 6.6541 6.6541 10.5974 10.5974 10.6139 10.6139 10.6213 10.6213 15.7236 15.7236 15.7313 15.7313 15.8738 15.8738 17.4984 17.4984 17.5059 17.5059 k = 0.4643 0.5000 0.4643 ( 2498 PWs) bands (ev): -48.7020 -48.7020 -24.6372 -24.6372 -22.1999 -22.1999 -22.1991 -22.1991 -21.9891 -21.9891 -5.3554 -5.3554 -5.2513 -5.2513 -5.2116 -5.2116 -4.9557 -4.9557 -3.8988 -3.8988 -3.8891 -3.8891 5.6015 5.6015 5.6248 5.6248 6.0676 6.0676 6.5779 6.5779 6.6444 6.6444 6.6593 6.6593 10.5865 10.5865 10.6031 10.6031 10.6166 10.6166 15.7068 15.7068 15.7205 15.7205 15.8601 15.8601 17.5130 17.5130 17.5255 17.5255 k = 0.4554 0.5000 0.4554 ( 2498 PWs) bands (ev): -48.7020 -48.7020 -24.6369 -24.6369 -22.1998 -22.1998 -22.1985 -22.1985 -21.9893 -21.9893 -5.3650 -5.3650 -5.2744 -5.2744 -5.2189 -5.2189 -4.9370 -4.9370 -3.8941 -3.8941 -3.8792 -3.8792 5.6067 5.6067 5.6436 5.6436 6.0820 6.0820 6.5781 6.5781 6.6440 6.6440 6.6661 6.6661 10.5718 10.5718 10.5897 10.5897 10.6109 10.6109 15.6854 15.6854 15.7067 15.7067 15.8432 15.8432 17.5314 17.5314 17.5502 17.5502 k = 0.4464 0.5000 0.4464 ( 2494 PWs) bands (ev): -48.7020 -48.7020 -24.6366 -24.6366 -22.1996 -22.1996 -22.1977 -22.1977 -21.9895 -21.9895 -5.3775 -5.3775 -5.2984 -5.2984 -5.2275 -5.2275 -4.9175 -4.9175 -3.8885 -3.8885 -3.8675 -3.8675 5.6125 5.6125 5.6664 5.6664 6.1000 6.1000 6.5770 6.5770 6.6448 6.6448 6.6747 6.6747 10.5534 10.5534 10.5739 10.5739 10.6044 10.6044 15.6596 15.6596 15.6900 15.6900 15.8234 15.8234 17.5538 17.5538 17.5795 17.5795 k = 0.4375 0.5000 0.4375 ( 2500 PWs) bands (ev): -48.7021 -48.7021 -24.6363 -24.6363 -22.1994 -22.1994 -22.1969 -22.1969 -21.9898 -21.9898 -5.3935 -5.3935 -5.3221 -5.3221 -5.2374 -5.2374 -4.8976 -4.8976 -3.8820 -3.8820 -3.8541 -3.8541 5.6188 5.6188 5.6933 5.6933 6.1217 6.1217 6.5741 6.5741 6.6474 6.6474 6.6854 6.6854 10.5313 10.5313 10.5559 10.5559 10.5968 10.5968 15.6294 15.6294 15.6706 15.6706 15.8011 15.8011 17.5798 17.5798 17.6131 17.6131 k = 0.4286 0.5000 0.4286 ( 2496 PWs) bands (ev): -48.7020 -48.7020 -24.6358 -24.6358 -22.1992 -22.1992 -22.1958 -22.1958 -21.9901 -21.9901 -5.4139 -5.4139 -5.3441 -5.3441 -5.2484 -5.2484 -4.8778 -4.8778 -3.8746 -3.8746 -3.8392 -3.8392 5.6252 5.6252 5.7242 5.7242 6.1471 6.1471 6.5692 6.5692 6.6520 6.6520 6.6984 6.6984 10.5060 10.5060 10.5358 10.5358 10.5882 10.5882 15.5950 15.5950 15.6487 15.6487 15.7768 15.7768 17.6094 17.6094 17.6506 17.6506 k = 0.4196 0.5000 0.4196 ( 2500 PWs) bands (ev): -48.7021 -48.7021 -24.6354 -24.6354 -22.1989 -22.1989 -22.1947 -22.1947 -21.9904 -21.9904 -5.4391 -5.4391 -5.3637 -5.3637 -5.2604 -5.2604 -4.8581 -4.8581 -3.8665 -3.8665 -3.8229 -3.8229 5.6315 5.6315 5.7589 5.7589 6.1762 6.1762 6.5626 6.5626 6.6583 6.6583 6.7137 6.7137 10.4775 10.4775 10.5136 10.5136 10.5785 10.5785 15.5567 15.5567 15.6245 15.6245 15.7506 15.7506 17.6423 17.6423 17.6917 17.6917 k = 0.4107 0.5000 0.4107 ( 2504 PWs) bands (ev): -48.7022 -48.7022 -24.6349 -24.6349 -22.1987 -22.1987 -22.1935 -22.1935 -21.9907 -21.9907 -5.4684 -5.4684 -5.3811 -5.3811 -5.2733 -5.2733 -4.8389 -4.8389 -3.8575 -3.8575 -3.8055 -3.8055 5.6377 5.6377 5.7975 5.7975 6.2091 6.2091 6.5546 6.5546 6.6662 6.6662 6.7317 6.7317 10.4463 10.4463 10.4896 10.4896 10.5675 10.5675 15.5145 15.5145 15.5982 15.5982 15.7228 15.7228 17.6785 17.6785 17.7359 17.7359 k = 0.4018 0.5000 0.4018 ( 2504 PWs) bands (ev): -48.7022 -48.7022 -24.6343 -24.6343 -22.1984 -22.1984 -22.1921 -22.1921 -21.9910 -21.9910 -5.5010 -5.5010 -5.3970 -5.3970 -5.2870 -5.2870 -4.8200 -4.8200 -3.8479 -3.8479 -3.7871 -3.7871 5.6435 5.6435 5.8398 5.8398 6.2456 6.2456 6.5457 6.5457 6.6754 6.6754 6.7524 6.7524 10.4125 10.4125 10.4637 10.4637 10.5553 10.5553 15.4688 15.4688 15.5700 15.5700 15.6936 15.6936 17.7177 17.7177 17.7827 17.7827 k = 0.3929 0.5000 0.3929 ( 2508 PWs) bands (ev): -48.7023 -48.7023 -24.6337 -24.6337 -22.1982 -22.1982 -22.1906 -22.1906 -21.9914 -21.9914 -5.5359 -5.5359 -5.4119 -5.4119 -5.3015 -5.3015 -4.8017 -4.8017 -3.8376 -3.8376 -3.7679 -3.7679 5.6488 5.6488 5.8858 5.8858 6.2856 6.2856 6.5363 6.5363 6.6858 6.6858 6.7761 6.7761 10.3763 10.3763 10.4363 10.4363 10.5418 10.5418 15.4196 15.4196 15.5402 15.5402 15.6632 15.6632 17.7596 17.7596 17.8320 17.8320 k = 0.3839 0.5000 0.3839 ( 2516 PWs) bands (ev): -48.7025 -48.7025 -24.6331 -24.6331 -22.1980 -22.1980 -22.1890 -22.1890 -21.9917 -21.9917 -5.5727 -5.5727 -5.4262 -5.4262 -5.3166 -5.3166 -4.7840 -4.7840 -3.8268 -3.8268 -3.7482 -3.7482 5.6537 5.6537 5.9353 5.9353 6.3288 6.3288 6.5266 6.5266 6.6973 6.6973 6.8030 6.8030 10.3380 10.3380 10.4073 10.4073 10.5270 10.5270 15.3673 15.3673 15.5091 15.5091 15.6316 15.6316 17.8040 17.8040 17.8833 17.8833 k = 0.3750 0.5000 0.3750 ( 2508 PWs) bands (ev): -48.7024 -48.7024 -24.6324 -24.6324 -22.1978 -22.1978 -22.1872 -22.1872 -21.9920 -21.9920 -5.6110 -5.6110 -5.4399 -5.4399 -5.3323 -5.3323 -4.7669 -4.7669 -3.8155 -3.8155 -3.7280 -3.7280 5.6580 5.6580 5.9882 5.9882 6.3747 6.3747 6.5170 6.5170 6.7098 6.7098 6.8332 6.8332 10.2979 10.2979 10.3769 10.3769 10.5108 10.5108 15.3119 15.3119 15.4768 15.4768 15.5990 15.5990 17.8508 17.8508 17.9362 17.9362 k = 0.3661 0.5000 0.3661 ( 2504 PWs) bands (ev): -48.7024 -48.7024 -24.6316 -24.6316 -22.1976 -22.1976 -22.1854 -22.1854 -21.9923 -21.9923 -5.6504 -5.6504 -5.4531 -5.4531 -5.3484 -5.3484 -4.7504 -4.7504 -3.8038 -3.8038 -3.7077 -3.7077 5.6618 5.6618 6.0444 6.0444 6.4231 6.4231 6.5078 6.5078 6.7233 6.7233 6.8671 6.8671 10.2562 10.2562 10.3453 10.3453 10.4931 10.4931 15.2537 15.2537 15.4436 15.4436 15.5655 15.5655 17.8996 17.8996 17.9905 17.9905 k = 0.3571 0.5000 0.3571 ( 2512 PWs) bands (ev): -48.7026 -48.7026 -24.6309 -24.6309 -22.1975 -22.1975 -22.1835 -22.1835 -21.9925 -21.9925 -5.6908 -5.6908 -5.4659 -5.4659 -5.3649 -5.3649 -4.7346 -4.7346 -3.7918 -3.7918 -3.6873 -3.6873 5.6651 5.6651 6.1037 6.1037 6.4733 6.4733 6.4992 6.4992 6.7379 6.7379 6.9049 6.9049 10.2131 10.2131 10.3125 10.3125 10.4739 10.4739 15.1928 15.1928 15.4096 15.4096 15.5312 15.5312 17.9501 17.9501 18.0458 18.0458 k = 0.3482 0.5000 0.3482 ( 2504 PWs) bands (ev): -48.7025 -48.7025 -24.6301 -24.6301 -22.1973 -22.1973 -22.1815 -22.1815 -21.9927 -21.9927 -5.7320 -5.7320 -5.4782 -5.4782 -5.3817 -5.3817 -4.7194 -4.7194 -3.7795 -3.7795 -3.6670 -3.6670 5.6680 5.6680 6.1661 6.1661 6.4916 6.4916 6.5248 6.5248 6.7535 6.7535 6.9471 6.9471 10.1689 10.1689 10.2787 10.2787 10.4532 10.4532 15.1293 15.1293 15.3751 15.3751 15.4963 15.4963 18.0021 18.0021 18.1018 18.1018 k = 0.3393 0.5000 0.3393 ( 2512 PWs) bands (ev): -48.7027 -48.7027 -24.6293 -24.6293 -22.1972 -22.1972 -22.1795 -22.1795 -21.9929 -21.9929 -5.7739 -5.7739 -5.4901 -5.4901 -5.3985 -5.3985 -4.7049 -4.7049 -3.7670 -3.7670 -3.6469 -3.6469 5.6704 5.6704 6.2313 6.2313 6.4851 6.4851 6.5771 6.5771 6.7702 6.7702 6.9938 6.9938 10.1238 10.1238 10.2439 10.2439 10.4309 10.4309 15.0633 15.0633 15.3403 15.3403 15.4608 15.4608 18.0552 18.0552 18.1581 18.1581 k = 0.3304 0.5000 0.3304 ( 2508 PWs) bands (ev): -48.7027 -48.7027 -24.6284 -24.6284 -22.1972 -22.1972 -22.1773 -22.1773 -21.9930 -21.9930 -5.8162 -5.8162 -5.5016 -5.5016 -5.4152 -5.4152 -4.6910 -4.6910 -3.7543 -3.7543 -3.6273 -3.6273 5.6725 5.6725 6.2991 6.2991 6.4802 6.4802 6.6297 6.6297 6.7879 6.7879 7.0455 7.0455 10.0781 10.0781 10.2082 10.2082 10.4070 10.4070 14.9950 14.9950 15.3053 15.3053 15.4250 15.4250 18.1090 18.1090 18.2145 18.2145 k = 0.3214 0.5000 0.3214 ( 2520 PWs) bands (ev): -48.7029 -48.7029 -24.6276 -24.6276 -22.1973 -22.1973 -22.1751 -22.1751 -21.9931 -21.9931 -5.8590 -5.8590 -5.5129 -5.5129 -5.4316 -5.4316 -4.6779 -4.6779 -3.7417 -3.7417 -3.6082 -3.6082 5.6742 5.6742 6.3692 6.3692 6.4772 6.4772 6.6821 6.6821 6.8069 6.8069 7.1023 7.1023 10.0320 10.0320 10.1716 10.1716 10.3814 10.3814 14.9245 14.9245 15.2702 15.2702 15.3890 15.3890 18.1631 18.1631 18.2707 18.2707 k = 0.3125 0.5000 0.3125 ( 2512 PWs) bands (ev): -48.7029 -48.7029 -24.6266 -24.6266 -22.1973 -22.1973 -22.1728 -22.1728 -21.9931 -21.9931 -5.9020 -5.9020 -5.5243 -5.5243 -5.4472 -5.4472 -4.6653 -4.6653 -3.7290 -3.7290 -3.5897 -3.5897 5.6757 5.6757 6.4400 6.4400 6.4776 6.4776 6.7339 6.7339 6.8271 6.8271 7.1643 7.1643 9.9858 9.9858 10.1342 10.1342 10.3541 10.3541 14.8517 14.8517 15.2353 15.2353 15.3530 15.3530 18.2169 18.2169 18.3263 18.3263 k = 0.3036 0.5000 0.3036 ( 2516 PWs) bands (ev): -48.7030 -48.7030 -24.6257 -24.6257 -22.1975 -22.1975 -22.1704 -22.1704 -21.9930 -21.9930 -5.9452 -5.9452 -5.5361 -5.5361 -5.4616 -5.4616 -4.6534 -4.6534 -3.7164 -3.7164 -3.5719 -3.5719 5.6769 5.6769 6.4729 6.4729 6.5201 6.5201 6.7848 6.7848 6.8488 6.8488 7.2314 7.2314 9.9397 9.9397 10.0959 10.0959 10.3250 10.3250 14.7769 14.7769 15.2006 15.2006 15.3171 15.3171 18.2695 18.2695 18.3810 18.3810 k = 0.2946 0.5000 0.2946 ( 2516 PWs) bands (ev): -48.7031 -48.7031 -24.6247 -24.6247 -22.1977 -22.1977 -22.1680 -22.1680 -21.9928 -21.9928 -5.9883 -5.9883 -5.5487 -5.5487 -5.4743 -5.4743 -4.6422 -4.6422 -3.7040 -3.7040 -3.5550 -3.5550 5.6780 5.6780 6.4772 6.4772 6.5954 6.5954 6.8339 6.8339 6.8729 6.8729 7.3032 7.3032 9.8939 9.8939 10.0569 10.0569 10.2941 10.2941 14.7002 14.7002 15.1664 15.1664 15.2815 15.2815 18.3198 18.3198 18.4344 18.4344 k = 0.2857 0.5000 0.2857 ( 2514 PWs) bands (ev): -48.7031 -48.7031 -24.6237 -24.6237 -22.1980 -22.1980 -22.1656 -22.1656 -21.9926 -21.9926 -6.0314 -6.0314 -5.5624 -5.5624 -5.4850 -5.4850 -4.6317 -4.6317 -3.6918 -3.6918 -3.5389 -3.5389 5.6789 5.6789 6.4829 6.4829 6.6732 6.6732 6.8775 6.8775 6.9032 6.9032 7.3796 7.3796 9.8489 9.8489 10.0171 10.0171 10.2614 10.2614 14.6215 14.6215 15.1327 15.1327 15.2463 15.2463 18.3661 18.3661 18.4844 18.4844 k = 0.2768 0.5000 0.2768 ( 2526 PWs) bands (ev): -48.7033 -48.7033 -24.6228 -24.6228 -22.1984 -22.1984 -22.1631 -22.1631 -21.9923 -21.9923 -6.0743 -6.0743 -5.5774 -5.5774 -5.4933 -5.4933 -4.6218 -4.6218 -3.6800 -3.6800 -3.5238 -3.5238 5.6797 5.6797 6.4910 6.4910 6.7525 6.7525 6.9100 6.9100 6.9458 6.9458 7.4601 7.4601 9.8047 9.8047 9.9765 9.9765 10.2268 10.2268 14.5410 14.5410 15.0996 15.0996 15.2118 15.2118 18.4055 18.4055 18.5066 18.5066 k = 0.2679 0.5000 0.2679 ( 2526 PWs) bands (ev): -48.7034 -48.7034 -24.6218 -24.6218 -22.1988 -22.1988 -22.1606 -22.1606 -21.9919 -21.9919 -6.1169 -6.1169 -5.5935 -5.5935 -5.4994 -5.4994 -4.6126 -4.6126 -3.6685 -3.6685 -3.5096 -3.5096 5.6803 5.6803 6.5020 6.5020 6.8325 6.8325 6.9377 6.9377 6.9945 6.9945 7.5442 7.5442 9.7616 9.7616 9.9351 9.9351 10.1904 10.1904 14.4587 14.4587 15.0673 15.0673 15.1781 15.1781 18.4333 18.4333 18.5195 18.5195 k = 0.2589 0.5000 0.2589 ( 2526 PWs) bands (ev): -48.7035 -48.7035 -24.6208 -24.6208 -22.1993 -22.1993 -22.1581 -22.1581 -21.9915 -21.9915 -6.1591 -6.1591 -5.6105 -5.6105 -5.5033 -5.5033 -4.6041 -4.6041 -3.6575 -3.6575 -3.4963 -3.4963 5.6810 5.6810 6.5158 6.5158 6.9126 6.9126 6.9653 6.9653 7.0453 7.0453 7.6314 7.6314 9.7201 9.7201 9.8929 9.8929 10.1522 10.1522 14.3749 14.3749 15.0359 15.0359 15.1453 15.1453 18.4424 18.4424 18.5268 18.5268 k = 0.2500 0.5000 0.2500 ( 2534 PWs) bands (ev): -48.7037 -48.7037 -24.6199 -24.6199 -22.2000 -22.2000 -22.1556 -22.1556 -21.9910 -21.9910 -6.2008 -6.2008 -5.6281 -5.6281 -5.5053 -5.5053 -4.5963 -4.5963 -3.6471 -3.6471 -3.4840 -3.4840 5.6815 5.6815 6.5327 6.5327 6.9916 6.9916 6.9939 6.9939 7.0981 7.0981 7.7215 7.7215 9.6802 9.6802 9.8497 9.8497 10.1121 10.1121 14.2895 14.2895 15.0055 15.0055 15.1135 15.1135 18.4235 18.4235 18.5288 18.5288 k = 0.2411 0.5000 0.2411 ( 2524 PWs) bands (ev): -48.7036 -48.7036 -24.6188 -24.6188 -22.2006 -22.2006 -22.1530 -22.1530 -21.9903 -21.9903 -6.2419 -6.2419 -5.6462 -5.6462 -5.5056 -5.5056 -4.5892 -4.5892 -3.6372 -3.6372 -3.4726 -3.4726 5.6821 5.6821 6.5527 6.5527 7.0230 7.0230 7.0684 7.0684 7.1541 7.1541 7.8139 7.8139 9.6424 9.6424 9.8056 9.8056 10.0701 10.0701 14.2028 14.2028 14.9762 14.9762 15.0828 15.0828 18.3698 18.3698 18.5265 18.5265 k = 0.2321 0.5000 0.2321 ( 2524 PWs) bands (ev): -48.7037 -48.7037 -24.6178 -24.6178 -22.2013 -22.2013 -22.1504 -22.1504 -21.9897 -21.9897 -6.2822 -6.2822 -5.6644 -5.6644 -5.5044 -5.5044 -4.5829 -4.5829 -3.6281 -3.6281 -3.4621 -3.4621 5.6826 5.6826 6.5760 6.5760 7.0534 7.0534 7.1396 7.1396 7.2156 7.2156 7.9083 7.9083 9.6070 9.6070 9.7606 9.7606 10.0264 10.0264 14.1147 14.1147 14.9480 14.9480 15.0534 15.0534 18.2849 18.2849 18.5211 18.5211 k = 0.2232 0.5000 0.2232 ( 2528 PWs) bands (ev): -48.7038 -48.7038 -24.6169 -24.6169 -22.2020 -22.2020 -22.1479 -22.1479 -21.9889 -21.9889 -6.3218 -6.3218 -5.6827 -5.6827 -5.5017 -5.5017 -4.5772 -4.5772 -3.6198 -3.6198 -3.4524 -3.4524 5.6832 5.6832 6.6026 6.6026 7.0850 7.0850 7.2036 7.2036 7.2839 7.2839 8.0042 8.0042 9.5742 9.5742 9.7146 9.7146 9.9809 9.9809 14.0255 14.0255 14.9212 14.9212 15.0254 15.0254 18.1786 18.1786 18.5127 18.5127 k = 0.2143 0.5000 0.2143 ( 2524 PWs) bands (ev): -48.7038 -48.7038 -24.6159 -24.6159 -22.2028 -22.2028 -22.1454 -22.1454 -21.9881 -21.9881 -6.3606 -6.3606 -5.7009 -5.7009 -5.4977 -5.4977 -4.5724 -4.5724 -3.6123 -3.6123 -3.4434 -3.4434 5.6838 5.6838 6.6325 6.6325 7.1178 7.1178 7.2617 7.2617 7.3574 7.3574 8.1015 8.1015 9.5445 9.5445 9.6675 9.6675 9.9337 9.9337 13.9353 13.9353 14.8956 14.8956 14.9987 14.9987 18.0596 18.0596 18.5015 18.5015 k = 0.2054 0.5000 0.2054 ( 2524 PWs) bands (ev): -48.7039 -48.7039 -24.6149 -24.6149 -22.2037 -22.2037 -22.1429 -22.1429 -21.9872 -21.9872 -6.3984 -6.3984 -5.7189 -5.7189 -5.4924 -5.4924 -4.5683 -4.5683 -3.6058 -3.6058 -3.4351 -3.4351 5.6843 5.6843 6.6657 6.6657 7.1518 7.1518 7.3164 7.3164 7.4328 7.4328 8.1996 8.1996 9.5183 9.5183 9.6193 9.6193 9.8849 9.8849 13.8443 13.8443 14.8715 14.8715 14.9736 14.9736 17.9333 17.9333 18.4875 18.4875 k = 0.1964 0.5000 0.1964 ( 2524 PWs) bands (ev): -48.7040 -48.7040 -24.6140 -24.6140 -22.2046 -22.2046 -22.1404 -22.1404 -21.9863 -21.9863 -6.4351 -6.4351 -5.7367 -5.7367 -5.4860 -5.4860 -4.5650 -4.5650 -3.6003 -3.6003 -3.4273 -3.4273 5.6850 5.6850 6.7022 6.7022 7.1870 7.1870 7.3694 7.3694 7.5079 7.5079 8.2984 8.2984 9.4957 9.4957 9.5701 9.5701 9.8345 9.8345 13.7526 13.7526 14.8488 14.8488 14.9499 14.9499 17.8030 17.8030 18.4711 18.4711 k = 0.1875 0.5000 0.1875 ( 2512 PWs) bands (ev): -48.7039 -48.7039 -24.6130 -24.6130 -22.2055 -22.2055 -22.1380 -22.1380 -21.9854 -21.9854 -6.4708 -6.4708 -5.7540 -5.7540 -5.4785 -5.4785 -4.5624 -4.5624 -3.5958 -3.5958 -3.4200 -3.4200 5.6856 5.6856 6.7420 6.7420 7.2234 7.2234 7.4215 7.4215 7.5814 7.5814 8.3974 8.3974 9.4771 9.4771 9.5201 9.5201 9.7826 9.7826 13.6605 13.6605 14.8276 14.8276 14.9278 14.9278 17.6708 17.6708 18.4523 18.4523 k = 0.1786 0.5000 0.1786 ( 2518 PWs) bands (ev): -48.7040 -48.7040 -24.6121 -24.6121 -22.2065 -22.2065 -22.1357 -22.1357 -21.9844 -21.9844 -6.5053 -6.5053 -5.7709 -5.7709 -5.4700 -5.4700 -4.5607 -4.5607 -3.5924 -3.5924 -3.4130 -3.4130 5.6863 5.6863 6.7851 6.7851 7.2609 7.2609 7.4728 7.4728 7.6521 7.6521 8.4964 8.4964 9.4582 9.4582 9.4736 9.4736 9.7294 9.7294 13.5681 13.5681 14.8079 14.8079 14.9073 14.9073 17.5379 17.5379 18.4309 18.4309 k = 0.1696 0.5000 0.1696 ( 2514 PWs) bands (ev): -48.7040 -48.7040 -24.6112 -24.6112 -22.2075 -22.2075 -22.1334 -22.1334 -21.9834 -21.9834 -6.5385 -6.5385 -5.7873 -5.7873 -5.4605 -5.4605 -4.5598 -4.5598 -3.5900 -3.5900 -3.4064 -3.4064 5.6870 5.6870 6.8312 6.8312 7.2996 7.2996 7.5236 7.5236 7.7193 7.7193 8.5950 8.5950 9.4121 9.4121 9.4582 9.4582 9.6749 9.6749 13.4757 13.4757 14.7898 14.7898 14.8884 14.8884 17.4055 17.4055 18.4064 18.4064 k = 0.1607 0.5000 0.1607 ( 2514 PWs) bands (ev): -48.7041 -48.7041 -24.6104 -24.6104 -22.2085 -22.2085 -22.1311 -22.1311 -21.9824 -21.9824 -6.5704 -6.5704 -5.8032 -5.8032 -5.4502 -5.4502 -4.5597 -4.5597 -3.5887 -3.5887 -3.4000 -3.4000 5.6878 5.6878 6.8805 6.8805 7.3393 7.3393 7.5737 7.5737 7.7823 7.7823 8.6929 8.6929 9.3582 9.3582 9.4546 9.4546 9.6193 9.6193 13.3835 13.3835 14.7731 14.7731 14.8710 14.8710 17.2744 17.2744 18.3764 18.3764 k = 0.1518 0.5000 0.1518 ( 2518 PWs) bands (ev): -48.7042 -48.7042 -24.6096 -24.6096 -22.2095 -22.2095 -22.1290 -22.1290 -21.9814 -21.9814 -6.6010 -6.6010 -5.8185 -5.8185 -5.4392 -5.4392 -4.5604 -4.5604 -3.5882 -3.5882 -3.3939 -3.3939 5.6885 5.6885 6.9327 6.9327 7.3802 7.3802 7.6231 7.6231 7.8404 7.8404 8.7898 8.7898 9.3025 9.3025 9.4571 9.4571 9.5627 9.5627 13.2917 13.2917 14.7579 14.7579 14.8551 14.8551 17.1453 17.1453 18.3387 18.3387 k = 0.1429 0.5000 0.1429 ( 2518 PWs) bands (ev): -48.7043 -48.7043 -24.6088 -24.6088 -22.2104 -22.2104 -22.1269 -22.1269 -21.9804 -21.9804 -6.6301 -6.6301 -5.8331 -5.8331 -5.4275 -5.4275 -4.5619 -4.5619 -3.5887 -3.5887 -3.3879 -3.3879 5.6893 5.6893 6.9877 6.9877 7.4220 7.4220 7.6715 7.6715 7.8932 7.8932 8.8853 8.8853 9.2453 9.2453 9.4655 9.4655 9.5053 9.5053 13.2008 13.2008 14.7442 14.7442 14.8408 14.8408 17.0188 17.0188 18.2971 18.2971 k = 0.1339 0.5000 0.1339 ( 2526 PWs) bands (ev): -48.7044 -48.7044 -24.6081 -24.6081 -22.2114 -22.2114 -22.1250 -22.1250 -21.9794 -21.9794 -6.6577 -6.6577 -5.8470 -5.8470 -5.4153 -5.4153 -4.5642 -4.5642 -3.5900 -3.5900 -3.3822 -3.3822 5.6901 5.6901 7.0453 7.0453 7.4647 7.4647 7.7188 7.7188 7.9406 7.9406 8.9789 8.9789 9.1866 9.1866 9.4473 9.4473 9.4796 9.4796 13.1110 13.1110 14.7320 14.7320 14.8279 14.8279 16.8954 16.8954 18.2556 18.2556 k = 0.1250 0.5000 0.1250 ( 2526 PWs) bands (ev): -48.7045 -48.7045 -24.6074 -24.6074 -22.2124 -22.2124 -22.1231 -22.1231 -21.9784 -21.9784 -6.6838 -6.6838 -5.8602 -5.8602 -5.4027 -5.4027 -4.5671 -4.5671 -3.5919 -3.5919 -3.3767 -3.3767 5.6909 5.6909 7.1055 7.1055 7.5083 7.5083 7.7646 7.7646 7.9822 7.9822 9.0697 9.0697 9.1273 9.1273 9.3889 9.3889 9.4991 9.4991 13.0227 13.0227 14.7211 14.7211 14.8164 14.8164 16.7759 16.7759 18.2155 18.2155 k = 0.1161 0.5000 0.1161 ( 2520 PWs) bands (ev): -48.7045 -48.7045 -24.6067 -24.6067 -22.2133 -22.2133 -22.1213 -22.1213 -21.9774 -21.9774 -6.7083 -6.7083 -5.8726 -5.8726 -5.3897 -5.3897 -4.5707 -4.5707 -3.5943 -3.5943 -3.3714 -3.3714 5.6917 5.6917 7.1680 7.1680 7.5525 7.5525 7.8089 7.8089 8.0183 8.0183 9.0637 9.0637 9.1607 9.1607 9.3303 9.3303 9.5237 9.5237 12.9363 12.9363 14.7115 14.7115 14.8062 14.8062 16.6608 16.6608 18.1774 18.1774 k = 0.1071 0.5000 0.1071 ( 2516 PWs) bands (ev): -48.7044 -48.7044 -24.6061 -24.6061 -22.2142 -22.2142 -22.1196 -22.1196 -21.9765 -21.9765 -6.7312 -6.7312 -5.8843 -5.8843 -5.3767 -5.3767 -4.5749 -4.5749 -3.5972 -3.5972 -3.3664 -3.3664 5.6925 5.6925 7.2327 7.2327 7.5974 7.5974 7.8511 7.8511 8.0492 8.0492 9.0011 9.0011 9.2456 9.2456 9.2725 9.2725 9.5526 9.5526 12.8521 12.8521 14.7032 14.7032 14.7973 14.7973 16.5507 16.5507 18.1415 18.1415 k = 0.0982 0.5000 0.0982 ( 2512 PWs) bands (ev): -48.7044 -48.7044 -24.6054 -24.6054 -22.2150 -22.2150 -22.1180 -22.1180 -21.9756 -21.9756 -6.7524 -6.7524 -5.8951 -5.8951 -5.3636 -5.3636 -4.5796 -4.5796 -3.6003 -3.6003 -3.3616 -3.3616 5.6932 5.6932 7.2992 7.2992 7.6426 7.6426 7.8911 7.8911 8.0752 8.0752 8.9368 8.9368 9.2132 9.2132 9.3291 9.3291 9.5850 9.5850 12.7709 12.7709 14.6960 14.6960 14.7896 14.7896 16.4462 16.4462 18.1080 18.1080 k = 0.0893 0.5000 0.0893 ( 2520 PWs) bands (ev): -48.7046 -48.7046 -24.6049 -24.6049 -22.2158 -22.2158 -22.1166 -22.1166 -21.9748 -21.9748 -6.7719 -6.7719 -5.9051 -5.9051 -5.3507 -5.3507 -4.5846 -4.5846 -3.6036 -3.6036 -3.3572 -3.3572 5.6940 5.6940 7.3675 7.3675 7.6879 7.6879 7.9285 7.9285 8.0969 8.0969 8.8712 8.8712 9.1557 9.1557 9.4073 9.4073 9.6199 9.6199 12.6929 12.6929 14.6898 14.6898 14.7830 14.7830 16.3479 16.3479 18.0770 18.0770 k = 0.0804 0.5000 0.0804 ( 2512 PWs) bands (ev): -48.7045 -48.7045 -24.6044 -24.6044 -22.2165 -22.2165 -22.1152 -22.1152 -21.9740 -21.9740 -6.7896 -6.7896 -5.9142 -5.9142 -5.3381 -5.3381 -4.5899 -4.5899 -3.6069 -3.6069 -3.3531 -3.3531 5.6947 5.6947 7.4372 7.4372 7.7330 7.7330 7.9628 7.9628 8.1150 8.1150 8.8044 8.8044 9.0993 9.0993 9.4808 9.4808 9.6565 9.6565 12.6190 12.6190 14.6847 14.6847 14.7774 14.7774 16.2564 16.2564 18.0486 18.0486 k = 0.0714 0.5000 0.0714 ( 2512 PWs) bands (ev): -48.7046 -48.7046 -24.6040 -24.6040 -22.2172 -22.2172 -22.1140 -22.1140 -21.9733 -21.9733 -6.8055 -6.8055 -5.9224 -5.9224 -5.3261 -5.3261 -4.5954 -4.5954 -3.6102 -3.6102 -3.3494 -3.3494 5.6953 5.6953 7.5080 7.5080 7.7776 7.7776 7.9938 7.9938 8.1303 8.1303 8.7365 8.7365 9.0444 9.0444 9.5487 9.5487 9.6936 9.6936 12.5496 12.5496 14.6804 14.6804 14.7727 14.7727 16.1725 16.1725 18.0229 18.0229 k = 0.0625 0.5000 0.0625 ( 2528 PWs) bands (ev): -48.7048 -48.7048 -24.6036 -24.6036 -22.2178 -22.2178 -22.1130 -22.1130 -21.9727 -21.9727 -6.8197 -6.8197 -5.9296 -5.9296 -5.3149 -5.3149 -4.6007 -4.6007 -3.6134 -3.6134 -3.3460 -3.3460 5.6959 5.6959 7.5797 7.5797 7.8210 7.8210 8.0209 8.0209 8.1432 8.1432 8.6677 8.6677 8.9917 8.9917 9.6102 9.6102 9.7306 9.7306 12.4857 12.4857 14.6769 14.6769 14.7688 14.7688 16.0966 16.0966 18.0000 18.0000 k = 0.0536 0.5000 0.0536 ( 2538 PWs) bands (ev): -48.7050 -48.7050 -24.6033 -24.6033 -22.2184 -22.2184 -22.1121 -22.1121 -21.9721 -21.9721 -6.8320 -6.8320 -5.9360 -5.9360 -5.3046 -5.3046 -4.6059 -4.6059 -3.6163 -3.6163 -3.3431 -3.3431 5.6964 5.6964 7.6518 7.6518 7.8628 7.8628 8.0438 8.0438 8.1545 8.1545 8.5983 8.5983 8.9419 8.9419 9.6643 9.6643 9.7664 9.7664 12.4278 12.4278 14.6740 14.6740 14.7656 14.7656 16.0294 16.0294 17.9800 17.9800 k = 0.0446 0.5000 0.0446 ( 2538 PWs) bands (ev): -48.7050 -48.7050 -24.6030 -24.6030 -22.2189 -22.2189 -22.1114 -22.1114 -21.9716 -21.9716 -6.8424 -6.8424 -5.9414 -5.9414 -5.2954 -5.2954 -4.6107 -4.6107 -3.6188 -3.6188 -3.3406 -3.3406 5.6969 5.6969 7.7237 7.7237 7.9019 7.9019 8.0624 8.0624 8.1646 8.1646 8.5288 8.5288 8.8960 8.8960 9.7103 9.7103 9.8001 9.8001 12.3769 12.3769 14.6718 14.6718 14.7631 14.7631 15.9714 15.9714 17.9630 17.9630 k = 0.0357 0.5000 0.0357 ( 2532 PWs) bands (ev): -48.7049 -48.7049 -24.6028 -24.6028 -22.2192 -22.2192 -22.1107 -22.1107 -21.9712 -21.9712 -6.8510 -6.8510 -5.9458 -5.9458 -5.2876 -5.2876 -4.6148 -4.6148 -3.6210 -3.6210 -3.3385 -3.3385 5.6972 5.6972 7.7945 7.7945 7.9376 7.9376 8.0766 8.0766 8.1734 8.1734 8.4598 8.4598 8.8552 8.8552 9.7475 9.7475 9.8307 9.8307 12.3339 12.3339 14.6700 14.6700 14.7612 14.7612 15.9232 15.9232 17.9489 17.9489 k = 0.0268 0.5000 0.0268 ( 2532 PWs) bands (ev): -48.7049 -48.7049 -24.6026 -24.6026 -22.2195 -22.2195 -22.1102 -22.1102 -21.9709 -21.9709 -6.8577 -6.8577 -5.9493 -5.9493 -5.2813 -5.2813 -4.6183 -4.6183 -3.6228 -3.6228 -3.3368 -3.3368 5.6975 5.6975 7.8623 7.8623 7.9689 7.9689 8.0866 8.0866 8.1810 8.1810 8.3927 8.3927 8.8209 8.8209 9.7760 9.7760 9.8567 9.8567 12.2993 12.2993 14.6688 14.6688 14.7597 14.7597 15.8853 15.8853 17.9380 17.9380 k = 0.0179 0.5000 0.0179 ( 2540 PWs) bands (ev): -48.7051 -48.7051 -24.6025 -24.6025 -22.2197 -22.2197 -22.1098 -22.1098 -21.9707 -21.9707 -6.8625 -6.8625 -5.9517 -5.9517 -5.2767 -5.2767 -4.6209 -4.6209 -3.6240 -3.6240 -3.3357 -3.3357 5.6978 5.6978 7.9230 7.9230 7.9956 7.9956 8.0926 8.0926 8.1868 8.1868 8.3306 8.3306 8.7947 8.7947 9.7961 9.7961 9.8766 9.8766 12.2741 12.2741 14.6679 14.6679 14.7587 14.7587 15.8578 15.8578 17.9301 17.9301 k = 0.0089 0.5000 0.0089 ( 2548 PWs) bands (ev): -48.7052 -48.7052 -24.6024 -24.6024 -22.2199 -22.2199 -22.1097 -22.1097 -21.9706 -21.9706 -6.8654 -6.8654 -5.9532 -5.9532 -5.2739 -5.2739 -4.6225 -4.6225 -3.6248 -3.6248 -3.3350 -3.3350 5.6979 5.6979 7.9659 7.9659 8.0199 8.0199 8.0943 8.0943 8.1905 8.1905 8.2810 8.2810 8.7782 8.7782 9.8080 9.8080 9.8890 9.8890 12.2587 12.2587 14.6674 14.6674 14.7582 14.7582 15.8413 15.8413 17.9254 17.9254 k = 0.0000 0.5000-0.0000 ( 2560 PWs) bands (ev): -48.7053 -48.7053 -24.6025 -24.6025 -22.2200 -22.2200 -22.1096 -22.1096 -21.9706 -21.9706 -6.8663 -6.8663 -5.9537 -5.9537 -5.2729 -5.2729 -4.6230 -4.6230 -3.6251 -3.6251 -3.3347 -3.3347 5.6979 5.6979 7.9801 7.9801 8.0338 8.0338 8.0936 8.0936 8.1917 8.1917 8.2602 8.2602 8.7725 8.7725 9.8119 9.8119 9.8933 9.8933 12.2535 12.2535 14.6672 14.6672 14.7580 14.7580 15.8358 15.8358 17.9238 17.9238 k = 0.5000 0.5000-0.0000 ( 2496 PWs) bands (ev): -48.7032 -48.7032 -24.6198 -24.6198 -22.2047 -22.2047 -22.1383 -22.1383 -22.0033 -22.0033 -6.1965 -6.1965 -5.7657 -5.7657 -5.6444 -5.6444 -4.3932 -4.3932 -3.4898 -3.4898 -3.3912 -3.3912 5.5748 5.5748 5.7985 5.7985 5.8503 5.8503 7.5737 7.5737 7.5887 7.5887 9.0940 9.0940 9.1008 9.1008 9.1461 9.1461 10.5450 10.5450 14.6952 14.6952 14.7780 14.7780 15.5161 15.5161 16.9773 16.9773 18.5398 18.5398 k = 0.5000 0.5000 0.0125 ( 2504 PWs) bands (ev): -48.7033 -48.7033 -24.6199 -24.6199 -22.2048 -22.2048 -22.1385 -22.1385 -22.0032 -22.0032 -6.1952 -6.1952 -5.7652 -5.7652 -5.6439 -5.6439 -4.3938 -4.3938 -3.4905 -3.4905 -3.3919 -3.3919 5.5749 5.5749 5.7985 5.7985 5.8514 5.8514 7.5709 7.5709 7.5857 7.5857 9.0979 9.0979 9.1031 9.1031 9.1406 9.1406 10.5451 10.5451 14.6963 14.6963 14.7791 14.7791 15.5165 15.5165 16.9842 16.9842 18.5394 18.5394 k = 0.5000 0.5000 0.0250 ( 2520 PWs) bands (ev): -48.7035 -48.7035 -24.6201 -24.6201 -22.2048 -22.2048 -22.1388 -22.1388 -22.0032 -22.0032 -6.1913 -6.1913 -5.7637 -5.7637 -5.6426 -5.6426 -4.3956 -4.3956 -3.4924 -3.4924 -3.3940 -3.3940 5.5749 5.5749 5.7988 5.7988 5.8550 5.8550 7.5627 7.5627 7.5767 7.5767 9.1029 9.1029 9.1094 9.1094 9.1310 9.1310 10.5454 10.5454 14.6997 14.6997 14.7825 14.7825 15.5179 15.5179 17.0044 17.0044 18.5386 18.5386 k = 0.5000 0.5000 0.0375 ( 2520 PWs) bands (ev): -48.7035 -48.7035 -24.6202 -24.6202 -22.2048 -22.2048 -22.1393 -22.1393 -22.0031 -22.0031 -6.1849 -6.1849 -5.7613 -5.7613 -5.6405 -5.6405 -4.3986 -4.3986 -3.4955 -3.4955 -3.3974 -3.3974 5.5751 5.5751 5.7991 5.7991 5.8609 5.8609 7.5492 7.5492 7.5620 7.5620 9.0766 9.0766 9.1281 9.1281 9.1409 9.1409 10.5460 10.5460 14.7054 14.7054 14.7880 14.7880 15.5202 15.5202 17.0376 17.0376 18.5374 18.5374 k = 0.5000 0.5000 0.0500 ( 2520 PWs) bands (ev): -48.7035 -48.7035 -24.6204 -24.6204 -22.2047 -22.2047 -22.1400 -22.1400 -22.0029 -22.0029 -6.1759 -6.1759 -5.7578 -5.7578 -5.6375 -5.6375 -4.4028 -4.4028 -3.4998 -3.4998 -3.4021 -3.4021 5.5753 5.5753 5.7996 5.7996 5.8691 5.8691 7.5310 7.5310 7.5422 7.5422 9.0312 9.0312 9.1537 9.1537 9.1636 9.1636 10.5468 10.5468 14.7133 14.7133 14.7958 14.7958 15.5234 15.5234 17.0829 17.0829 18.5362 18.5362 k = 0.5000 0.5000 0.0625 ( 2512 PWs) bands (ev): -48.7033 -48.7033 -24.6206 -24.6206 -22.2047 -22.2047 -22.1408 -22.1408 -22.0027 -22.0027 -6.1645 -6.1645 -5.7535 -5.7535 -5.6336 -5.6336 -4.4081 -4.4081 -3.5053 -3.5053 -3.4082 -3.4082 5.5755 5.5755 5.8003 5.8003 5.8795 5.8795 7.5086 7.5086 7.5179 7.5179 8.9725 8.9725 9.1854 9.1854 9.1933 9.1933 10.5478 10.5478 14.7235 14.7235 14.8058 14.8058 15.5274 15.5274 17.1391 17.1391 18.5357 18.5357 k = 0.5000 0.5000 0.0750 ( 2520 PWs) bands (ev): -48.7034 -48.7034 -24.6209 -24.6209 -22.2046 -22.2046 -22.1419 -22.1419 -22.0025 -22.0025 -6.1506 -6.1506 -5.7481 -5.7481 -5.6289 -5.6289 -4.4146 -4.4146 -3.5119 -3.5119 -3.4155 -3.4155 5.5758 5.5758 5.8010 5.8010 5.8922 5.8922 7.4825 7.4825 7.4896 7.4896 8.9022 8.9022 9.2226 9.2226 9.2286 9.2286 10.5491 10.5491 14.7358 14.7358 14.8179 14.8179 15.5323 15.5323 17.2045 17.2045 18.5366 18.5366 k = 0.5000 0.5000 0.0875 ( 2520 PWs) bands (ev): -48.7034 -48.7034 -24.6213 -24.6213 -22.2045 -22.2045 -22.1431 -22.1431 -22.0022 -22.0022 -6.1343 -6.1343 -5.7418 -5.7418 -5.6233 -5.6233 -4.4222 -4.4222 -3.5197 -3.5197 -3.4241 -3.4241 5.5761 5.5761 5.8019 5.8019 5.9070 5.9070 7.4532 7.4532 7.4580 7.4580 8.8214 8.8214 9.2646 9.2646 9.2687 9.2687 10.5506 10.5506 14.7504 14.7504 14.8322 14.8322 15.5380 15.5380 17.2771 17.2771 18.5401 18.5401 k = 0.5000 0.5000 0.1000 ( 2528 PWs) bands (ev): -48.7035 -48.7035 -24.6217 -24.6217 -22.2044 -22.2044 -22.1445 -22.1445 -22.0019 -22.0019 -6.1158 -6.1158 -5.7345 -5.7345 -5.6170 -5.6170 -4.4309 -4.4309 -3.5286 -3.5286 -3.4340 -3.4340 5.5765 5.5765 5.8028 5.8028 5.9237 5.9237 7.4215 7.4215 7.4238 7.4238 8.7311 8.7311 9.3106 9.3106 9.3129 9.3129 10.5522 10.5522 14.7671 14.7671 14.8487 14.8487 15.5444 15.5444 17.3546 17.3546 18.5477 18.5477 k = 0.5000 0.5000 0.1125 ( 2520 PWs) bands (ev): -48.7033 -48.7033 -24.6221 -24.6221 -22.2043 -22.2043 -22.1460 -22.1460 -22.0015 -22.0015 -6.0950 -6.0950 -5.7263 -5.7263 -5.6098 -5.6098 -4.4407 -4.4407 -3.5385 -3.5385 -3.4450 -3.4450 5.5769 5.5769 5.8039 5.8039 5.9425 5.9425 7.3875 7.3875 7.3878 7.3878 8.6325 8.6325 9.3601 9.3601 9.3605 9.3605 10.5541 10.5541 14.7859 14.7859 14.8672 14.8672 15.5517 15.5517 17.4339 17.4339 18.5614 18.5614 k = 0.5000 0.5000 0.1250 ( 2520 PWs) bands (ev): -48.7033 -48.7033 -24.6225 -24.6225 -22.2042 -22.2042 -22.1477 -22.1477 -22.0012 -22.0012 -6.0721 -6.0721 -5.7172 -5.7172 -5.6018 -5.6018 -4.4515 -4.4515 -3.5493 -3.5493 -3.4571 -3.4571 5.5773 5.5773 5.8050 5.8050 5.9630 5.9630 7.3497 7.3497 7.3526 7.3526 8.5266 8.5266 9.4110 9.4110 9.4123 9.4123 10.5561 10.5561 14.8068 14.8068 14.8879 14.8879 15.5596 15.5596 17.5118 17.5118 18.5836 18.5836 k = 0.5000 0.5000 0.1375 ( 2512 PWs) bands (ev): -48.7032 -48.7032 -24.6230 -24.6230 -22.2040 -22.2040 -22.1494 -22.1494 -22.0007 -22.0007 -6.0472 -6.0472 -5.7071 -5.7071 -5.5931 -5.5931 -4.4633 -4.4633 -3.5611 -3.5611 -3.4704 -3.4704 5.5778 5.5778 5.8062 5.8062 5.9852 5.9852 7.3109 7.3109 7.3163 7.3163 8.4146 8.4146 9.4639 9.4639 9.4668 9.4668 10.5583 10.5583 14.8298 14.8298 14.9105 14.9105 15.5681 15.5681 17.5843 17.5843 18.6172 18.6172 k = 0.5000 0.5000 0.1500 ( 2520 PWs) bands (ev): -48.7032 -48.7032 -24.6236 -24.6236 -22.2039 -22.2039 -22.1514 -22.1514 -22.0003 -22.0003 -6.0205 -6.0205 -5.6962 -5.6962 -5.5837 -5.5837 -4.4761 -4.4761 -3.5737 -3.5737 -3.4846 -3.4846 5.5783 5.5783 5.8074 5.8074 6.0089 6.0089 7.2714 7.2714 7.2794 7.2794 8.2974 8.2974 9.5185 9.5185 9.5230 9.5230 10.5607 10.5607 14.8546 14.8546 14.9351 14.9351 15.5772 15.5772 17.6480 17.6480 18.6647 18.6647 k = 0.5000 0.5000 0.1625 ( 2524 PWs) bands (ev): -48.7033 -48.7033 -24.6242 -24.6242 -22.2038 -22.2038 -22.1535 -22.1535 -21.9998 -21.9998 -5.9919 -5.9919 -5.6844 -5.6844 -5.5735 -5.5735 -4.4898 -4.4898 -3.5870 -3.5870 -3.4998 -3.4998 5.5789 5.5789 5.8085 5.8085 6.0341 6.0341 7.2316 7.2316 7.2422 7.2422 8.1761 8.1761 9.5746 9.5746 9.5805 9.5805 10.5632 10.5632 14.8814 14.8814 14.9616 14.9616 15.5869 15.5869 17.7000 17.7000 18.7282 18.7282 k = 0.5000 0.5000 0.1750 ( 2524 PWs) bands (ev): -48.7032 -48.7032 -24.6248 -24.6248 -22.2036 -22.2036 -22.1556 -22.1556 -21.9993 -21.9993 -5.9618 -5.9618 -5.6717 -5.6717 -5.5627 -5.5627 -4.5044 -4.5044 -3.6011 -3.6011 -3.5159 -3.5159 5.5794 5.5794 5.8097 5.8097 6.0604 6.0604 7.1919 7.1919 7.2049 7.2049 8.0517 8.0517 9.6317 9.6317 9.6388 9.6388 10.5658 10.5658 14.9101 14.9101 14.9900 14.9900 15.5971 15.5971 17.7388 17.7388 18.8082 18.8082 k = 0.5000 0.5000 0.1875 ( 2512 PWs) bands (ev): -48.7030 -48.7030 -24.6253 -24.6253 -22.2034 -22.2034 -22.1578 -22.1578 -21.9988 -21.9988 -5.9303 -5.9303 -5.6581 -5.6581 -5.5511 -5.5511 -4.5199 -4.5199 -3.6157 -3.6157 -3.5328 -3.5328 5.5800 5.5800 5.8108 5.8108 6.0879 6.0879 7.1524 7.1524 7.1678 7.1678 7.9250 7.9250 9.6893 9.6893 9.6977 9.6977 10.5685 10.5685 14.9405 14.9405 15.0201 15.0201 15.6076 15.6076 17.7647 17.7647 18.9036 18.9036 k = 0.5000 0.5000 0.2000 ( 2512 PWs) bands (ev): -48.7030 -48.7030 -24.6260 -24.6260 -22.2032 -22.2032 -22.1601 -22.1601 -21.9983 -21.9983 -5.8975 -5.8975 -5.6438 -5.6438 -5.5390 -5.5390 -4.5361 -4.5361 -3.6309 -3.6309 -3.5505 -3.5505 5.5806 5.5806 5.8117 5.8117 6.1163 6.1163 7.1134 7.1134 7.1312 7.1312 7.7970 7.7970 9.7473 9.7473 9.7567 9.7567 10.5714 10.5714 14.9726 14.9726 15.0519 15.0519 15.6185 15.6185 17.7790 17.7790 18.9881 18.9881 k = 0.5000 0.5000 0.2125 ( 2512 PWs) bands (ev): -48.7029 -48.7029 -24.6267 -24.6267 -22.2031 -22.2031 -22.1624 -22.1624 -21.9977 -21.9977 -5.8636 -5.8636 -5.6286 -5.6286 -5.5262 -5.5262 -4.5531 -4.5531 -3.6465 -3.6465 -3.5688 -3.5688 5.5813 5.5813 5.8126 5.8126 6.1454 6.1454 7.0752 7.0752 7.0952 7.0952 7.6684 7.6684 9.8052 9.8052 9.8155 9.8155 10.5743 10.5743 15.0063 15.0063 15.0853 15.0853 15.6297 15.6297 17.7838 17.7838 18.8944 18.8944 k = 0.5000 0.5000 0.2250 ( 2520 PWs) bands (ev): -48.7030 -48.7030 -24.6274 -24.6274 -22.2029 -22.2029 -22.1649 -22.1649 -21.9972 -21.9972 -5.8289 -5.8289 -5.6126 -5.6126 -5.5129 -5.5129 -4.5709 -4.5709 -3.6624 -3.6624 -3.5876 -3.5876 5.5819 5.5819 5.8132 5.8132 6.1750 6.1750 7.0378 7.0378 7.0599 7.0599 7.5402 7.5402 9.8627 9.8627 9.8738 9.8738 10.5773 10.5773 15.0414 15.0414 15.1202 15.1202 15.6412 15.6412 17.7811 17.7811 18.8007 18.8007 k = 0.5000 0.5000 0.2375 ( 2504 PWs) bands (ev): -48.7027 -48.7027 -24.6280 -24.6280 -22.2027 -22.2027 -22.1672 -22.1672 -21.9966 -21.9966 -5.7936 -5.7936 -5.5959 -5.5959 -5.4991 -5.4991 -4.5893 -4.5893 -3.6786 -3.6786 -3.6070 -3.6070 5.5825 5.5825 5.8135 5.8135 6.2051 6.2051 7.0015 7.0015 7.0256 7.0256 7.4130 7.4130 9.9196 9.9196 9.9315 9.9315 10.5803 10.5803 15.0779 15.0779 15.1564 15.1564 15.6528 15.6528 17.7727 17.7727 18.7078 18.7078 k = 0.5000 0.5000 0.2500 ( 2504 PWs) bands (ev): -48.7027 -48.7027 -24.6287 -24.6287 -22.2025 -22.2025 -22.1697 -22.1697 -21.9960 -21.9960 -5.7578 -5.7578 -5.5784 -5.5784 -5.4847 -5.4847 -4.6083 -4.6083 -3.6949 -3.6949 -3.6266 -3.6266 5.5832 5.5832 5.8135 5.8135 6.2353 6.2353 6.9663 6.9663 6.9923 6.9923 7.2876 7.2876 9.9757 9.9757 9.9881 9.9881 10.5833 10.5833 15.1157 15.1157 15.1938 15.1938 15.6645 15.6645 17.7600 17.7600 18.6162 18.6162 k = 0.5000 0.5000 0.2625 ( 2504 PWs) bands (ev): -48.7026 -48.7026 -24.6294 -24.6294 -22.2023 -22.2023 -22.1721 -22.1721 -21.9955 -21.9955 -5.7219 -5.7219 -5.5603 -5.5603 -5.4698 -5.4698 -4.6280 -4.6280 -3.7113 -3.7113 -3.6466 -3.6466 5.5838 5.5838 5.8130 5.8130 6.2655 6.2655 6.9324 6.9324 6.9599 6.9599 7.1649 7.1649 10.0306 10.0306 10.0435 10.0435 10.5864 10.5864 15.1545 15.1545 15.2322 15.2322 15.6762 15.6762 17.7443 17.7443 18.5262 18.5262 k = 0.5000 0.5000 0.2750 ( 2496 PWs) bands (ev): -48.7024 -48.7024 -24.6300 -24.6300 -22.2021 -22.2021 -22.1744 -22.1744 -21.9949 -21.9949 -5.6861 -5.6861 -5.5415 -5.5415 -5.4545 -5.4545 -4.6481 -4.6481 -3.7276 -3.7276 -3.6667 -3.6667 5.5845 5.5845 5.8119 5.8119 6.2955 6.2955 6.8998 6.8998 6.9285 6.9285 7.0457 7.0457 10.0841 10.0841 10.0974 10.0974 10.5894 10.5894 15.1942 15.1942 15.2715 15.2715 15.6880 15.6880 17.7264 17.7264 18.4380 18.4380 k = 0.5000 0.5000 0.2875 ( 2496 PWs) bands (ev): -48.7024 -48.7024 -24.6307 -24.6307 -22.2020 -22.2020 -22.1768 -22.1768 -21.9943 -21.9943 -5.6507 -5.6507 -5.5221 -5.5221 -5.4388 -5.4388 -4.6688 -4.6688 -3.7437 -3.7437 -3.6868 -3.6868 5.5851 5.5851 5.8102 5.8102 6.3251 6.3251 6.8687 6.8687 6.8950 6.8950 6.9339 6.9339 10.1361 10.1361 10.1496 10.1496 10.5924 10.5924 15.2347 15.2347 15.3114 15.3114 15.6998 15.6998 17.7071 17.7071 18.3519 18.3519 k = 0.5000 0.5000 0.3000 ( 2512 PWs) bands (ev): -48.7025 -48.7025 -24.6315 -24.6315 -22.2019 -22.2019 -22.1792 -22.1792 -21.9938 -21.9938 -5.6161 -5.6161 -5.5020 -5.5020 -5.4225 -5.4225 -4.6900 -4.6900 -3.7597 -3.7597 -3.7068 -3.7068 5.5857 5.5857 5.8075 5.8075 6.3542 6.3542 6.8135 6.8135 6.8392 6.8392 6.8759 6.8759 10.1862 10.1862 10.2000 10.2000 10.5954 10.5954 15.2757 15.2757 15.3517 15.3517 15.7115 15.7115 17.6870 17.6870 18.2681 18.2681 k = 0.5000 0.5000 0.3125 ( 2500 PWs) bands (ev): -48.7023 -48.7023 -24.6321 -24.6321 -22.2017 -22.2017 -22.1814 -22.1814 -21.9932 -21.9932 -5.5825 -5.5825 -5.4815 -5.4815 -5.4059 -5.4059 -4.7116 -4.7116 -3.7752 -3.7752 -3.7267 -3.7267 5.5863 5.5863 5.8038 5.8038 6.3824 6.3824 6.7093 6.7093 6.8112 6.8112 6.8475 6.8475 10.2344 10.2344 10.2483 10.2483 10.5983 10.5983 15.3171 15.3171 15.3922 15.3922 15.7231 15.7231 17.6665 17.6665 18.1868 18.1868 k = 0.5000 0.5000 0.3250 ( 2500 PWs) bands (ev): -48.7023 -48.7023 -24.6327 -24.6327 -22.2015 -22.2015 -22.1836 -22.1836 -21.9927 -21.9927 -5.5504 -5.5504 -5.4604 -5.4604 -5.3887 -5.3887 -4.7336 -4.7336 -3.7903 -3.7903 -3.7461 -3.7461 5.5869 5.5869 5.7986 5.7986 6.4097 6.4097 6.6098 6.6098 6.7850 6.7850 6.8220 6.8220 10.2804 10.2804 10.2944 10.2944 10.6011 10.6011 15.3585 15.3585 15.4326 15.4326 15.7346 15.7346 17.6461 17.6461 18.1083 18.1083 k = 0.5000 0.5000 0.3375 ( 2512 PWs) bands (ev): -48.7024 -48.7024 -24.6334 -24.6334 -22.2014 -22.2014 -22.1858 -22.1858 -21.9922 -21.9922 -5.5200 -5.5200 -5.4389 -5.4389 -5.3712 -5.3712 -4.7558 -4.7558 -3.8048 -3.8048 -3.7651 -3.7651 5.5874 5.5874 5.7918 5.7918 6.4358 6.4358 6.5168 6.5168 6.7605 6.7605 6.7983 6.7983 10.3240 10.3240 10.3380 10.3380 10.6038 10.6038 15.3997 15.3997 15.4724 15.4724 15.7461 15.7461 17.6260 17.6260 18.0328 18.0328 k = 0.5000 0.5000 0.3500 ( 2512 PWs) bands (ev): -48.7024 -48.7024 -24.6340 -24.6340 -22.2012 -22.2012 -22.1878 -22.1878 -21.9918 -21.9918 -5.4918 -5.4918 -5.4171 -5.4171 -5.3531 -5.3531 -4.7784 -4.7784 -3.8187 -3.8187 -3.7835 -3.7835 5.5879 5.5879 5.7829 5.7829 6.4314 6.4314 6.4605 6.4605 6.7379 6.7379 6.7763 6.7763 10.3651 10.3651 10.3791 10.3791 10.6064 10.6064 15.4405 15.4405 15.5113 15.5113 15.7576 15.7576 17.6065 17.6065 17.9606 17.9606 k = 0.5000 0.5000 0.3625 ( 2512 PWs) bands (ev): -48.7023 -48.7023 -24.6345 -24.6345 -22.2011 -22.2011 -22.1896 -22.1896 -21.9913 -21.9913 -5.4659 -5.4659 -5.3949 -5.3949 -5.3347 -5.3347 -4.8011 -4.8011 -3.8318 -3.8318 -3.8012 -3.8012 5.5884 5.5884 5.7715 5.7715 6.3544 6.3544 6.4837 6.4837 6.7172 6.7172 6.7560 6.7560 10.4035 10.4035 10.4175 10.4175 10.6089 10.6089 15.4804 15.4804 15.5489 15.5489 15.7692 15.7692 17.5879 17.5879 17.8919 17.8919 k = 0.5000 0.5000 0.3750 ( 2512 PWs) bands (ev): -48.7023 -48.7023 -24.6351 -24.6351 -22.2009 -22.2009 -22.1914 -22.1914 -21.9909 -21.9909 -5.4426 -5.4426 -5.3725 -5.3725 -5.3161 -5.3161 -4.8240 -4.8240 -3.8442 -3.8442 -3.8179 -3.8179 5.5889 5.5889 5.7572 5.7572 6.2865 6.2865 6.5050 6.5050 6.6986 6.6986 6.7374 6.7374 10.4391 10.4391 10.4530 10.4530 10.6112 10.6112 15.5192 15.5192 15.5844 15.5844 15.7810 15.7810 17.5704 17.5704 17.8271 17.8271 k = 0.5000 0.5000 0.3875 ( 2496 PWs) bands (ev): -48.7021 -48.7021 -24.6355 -24.6355 -22.2007 -22.2007 -22.1930 -22.1930 -21.9905 -21.9905 -5.4219 -5.4219 -5.3500 -5.3500 -5.2976 -5.2976 -4.8468 -4.8468 -3.8556 -3.8556 -3.8336 -3.8336 5.5893 5.5893 5.7400 5.7400 6.2282 6.2282 6.5243 6.5243 6.6822 6.6822 6.7205 6.7205 10.4717 10.4717 10.4855 10.4855 10.6134 10.6134 15.5564 15.5564 15.6174 15.6174 15.7934 15.7934 17.5541 17.5541 17.7664 17.7664 k = 0.5000 0.5000 0.4000 ( 2488 PWs) bands (ev): -48.7019 -48.7019 -24.6359 -24.6359 -22.2006 -22.2006 -22.1944 -22.1944 -21.9901 -21.9901 -5.4038 -5.4038 -5.3276 -5.3276 -5.2795 -5.2795 -4.8696 -4.8696 -3.8660 -3.8660 -3.8481 -3.8481 5.5897 5.5897 5.7201 5.7201 6.1796 6.1796 6.5411 6.5411 6.6682 6.6682 6.7053 6.7053 10.5011 10.5011 10.5149 10.5149 10.6154 10.6154 15.5917 15.5917 15.6471 15.6471 15.8063 15.8063 17.5391 17.5391 17.7104 17.7104 k = 0.5000 0.5000 0.4125 ( 2496 PWs) bands (ev): -48.7020 -48.7020 -24.6363 -24.6363 -22.2006 -22.2006 -22.1957 -22.1957 -21.9898 -21.9898 -5.3881 -5.3881 -5.3053 -5.3053 -5.2623 -5.2623 -4.8921 -4.8921 -3.8754 -3.8754 -3.8613 -3.8613 5.5901 5.5901 5.6981 5.6981 6.1405 6.1405 6.5550 6.5550 6.6570 6.6570 6.6919 6.6919 10.5273 10.5273 10.5412 10.5412 10.6173 10.6173 15.6245 15.6245 15.6729 15.6729 15.8201 15.8201 17.5257 17.5257 17.6592 17.6592 k = 0.5000 0.5000 0.4250 ( 2492 PWs) bands (ev): -48.7019 -48.7019 -24.6366 -24.6366 -22.2005 -22.2005 -22.1969 -22.1969 -21.9895 -21.9895 -5.3749 -5.3749 -5.2835 -5.2835 -5.2465 -5.2465 -4.9141 -4.9141 -3.8836 -3.8836 -3.8730 -3.8730 5.5904 5.5904 5.6752 5.6752 6.1098 6.1098 6.5655 6.5655 6.6490 6.6490 6.6802 6.6802 10.5501 10.5501 10.5641 10.5641 10.6191 10.6191 15.6543 15.6543 15.6944 15.6944 15.8345 15.8345 17.5138 17.5138 17.6136 17.6136 k = 0.5000 0.5000 0.4375 ( 2500 PWs) bands (ev): -48.7020 -48.7020 -24.6370 -24.6370 -22.2004 -22.2004 -22.1979 -22.1979 -21.9893 -21.9893 -5.3638 -5.3638 -5.2626 -5.2626 -5.2324 -5.2324 -4.9352 -4.9352 -3.8907 -3.8907 -3.8832 -3.8832 5.5907 5.5907 5.6528 5.6528 6.0864 6.0864 6.5723 6.5723 6.6446 6.6446 6.6703 6.6703 10.5694 10.5694 10.5836 10.5836 10.6208 10.6208 15.6807 15.6807 15.7115 15.7115 15.8490 15.8490 17.5036 17.5036 17.5738 17.5738 k = 0.5000 0.5000 0.4500 ( 2504 PWs) bands (ev): -48.7020 -48.7020 -24.6372 -24.6372 -22.2004 -22.2004 -22.1987 -22.1987 -21.9891 -21.9891 -5.3549 -5.3549 -5.2429 -5.2429 -5.2204 -5.2204 -4.9550 -4.9550 -3.8966 -3.8966 -3.8917 -3.8917 5.5909 5.5909 5.6324 5.6324 6.0691 6.0691 6.5755 6.5755 6.6433 6.6433 6.6622 6.6622 10.5850 10.5850 10.5997 10.5997 10.6225 10.6225 15.7032 15.7032 15.7246 15.7246 15.8628 15.8628 17.4951 17.4951 17.5403 17.5403 k = 0.5000 0.5000 0.4625 ( 2512 PWs) bands (ev): -48.7022 -48.7022 -24.6375 -24.6375 -22.2003 -22.2003 -22.1994 -22.1994 -21.9890 -21.9890 -5.3480 -5.3480 -5.2254 -5.2254 -5.2108 -5.2108 -4.9726 -4.9726 -3.9012 -3.9012 -3.8984 -3.8984 5.5911 5.5911 5.6151 5.6151 6.0569 6.0569 6.5762 6.5762 6.6442 6.6442 6.6559 6.6559 10.5967 10.5967 10.6123 10.6123 10.6243 10.6243 15.7213 15.7213 15.7341 15.7341 15.8749 15.8749 17.4885 17.4885 17.5138 17.5138 k = 0.5000 0.5000 0.4750 ( 2512 PWs) bands (ev): -48.7021 -48.7021 -24.6376 -24.6376 -22.2003 -22.2003 -22.1999 -22.1999 -21.9889 -21.9889 -5.3431 -5.3431 -5.2111 -5.2111 -5.2038 -5.2038 -4.9870 -4.9870 -3.9045 -3.9045 -3.9032 -3.9032 5.5912 5.5912 5.6021 5.6021 6.0487 6.0487 6.5757 6.5757 6.6459 6.6459 6.6514 6.6514 10.6045 10.6045 10.6213 10.6213 10.6262 10.6262 15.7345 15.7345 15.7405 15.7405 15.8842 15.8842 17.4836 17.4836 17.4944 17.4944 k = 0.5000 0.5000 0.4875 ( 2512 PWs) bands (ev): -48.7021 -48.7021 -24.6377 -24.6377 -22.2003 -22.2003 -22.2002 -22.2002 -21.9888 -21.9888 -5.3401 -5.3401 -5.2015 -5.2015 -5.1995 -5.1995 -4.9966 -4.9966 -3.9065 -3.9065 -3.9062 -3.9062 5.5913 5.5913 5.5940 5.5940 6.0440 6.0440 6.5751 6.5751 6.6473 6.6473 6.6487 6.6487 10.6087 10.6087 10.6267 10.6267 10.6278 10.6278 15.7426 15.7426 15.7442 15.7442 15.8902 15.8902 17.4803 17.4803 17.4827 17.4827 k = 0.5000 0.5000 0.5000 ( 2512 PWs) bands (ev): -48.7021 -48.7021 -24.6377 -24.6377 -22.2003 -22.2003 -22.2003 -22.2003 -21.9888 -21.9888 -5.3392 -5.3392 -5.1981 -5.1981 -5.1981 -5.1981 -5.0000 -5.0000 -3.9072 -3.9072 -3.9072 -3.9072 5.5913 5.5913 5.5913 5.5913 6.0425 6.0425 6.5748 6.5748 6.6478 6.6478 6.6478 6.6478 10.6100 10.6100 10.6285 10.6285 10.6285 10.6285 15.7454 15.7454 15.7454 15.7454 15.8922 15.8922 17.4788 17.4788 17.4788 17.4788 Writing output data file SrMoO3.save init_run : 0.18s CPU 0.32s WALL ( 1 calls) electrons : 100.14s CPU 102.12s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 100.13s CPU 102.11s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.03s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.03s WALL ( 307 calls) cegterg : 93.92s CPU 95.51s WALL ( 369 calls) Called by sum_band: Called by *egterg: h_psi : 37.34s CPU 38.72s WALL ( 6607 calls) s_psi : 2.54s CPU 2.66s WALL ( 6607 calls) g_psi : 0.09s CPU 0.12s WALL ( 5931 calls) cdiaghg : 49.85s CPU 49.92s WALL ( 6238 calls) cegterg:over : 3.62s CPU 3.60s WALL ( 5931 calls) cegterg:upda : 2.40s CPU 2.57s WALL ( 5931 calls) cegterg:last : 1.39s CPU 1.46s WALL ( 984 calls) cdiaghg:chol : 2.45s CPU 2.67s WALL ( 6238 calls) cdiaghg:inve : 1.85s CPU 1.90s WALL ( 6238 calls) cdiaghg:para : 2.97s CPU 3.06s WALL ( 12476 calls) Called by h_psi: h_psi:vloc : 31.35s CPU 32.49s WALL ( 6607 calls) h_psi:vnl : 5.88s CPU 6.11s WALL ( 6607 calls) add_vuspsi : 3.01s CPU 3.10s WALL ( 6607 calls) General routines calbec : 2.84s CPU 3.00s WALL ( 6607 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 29.04s CPU 30.16s WALL ( 680040 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.08s CPU 0.13s WALL ( 614 calls) Parallel routines fft_scatter : 14.60s CPU 15.31s WALL ( 680063 calls) PWSCF : 1m52.00s CPU 2m 2.25s WALL This run was terminated on: 20:55:39 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=