Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:54:38 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: ./NaNbO3.save/ file Nb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 4P 4P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 39 32 9 1099 818 131 Max 40 33 10 1102 835 136 Sum 1405 1161 349 39607 29711 4801 bravais-lattice index = 14 lattice parameter (alat) = 7.3813 a.u. unit-cell volume = 402.1548 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 67.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.381270 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.000000 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 1.000000 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Nb read from file: /users/gautes/Pseudo/Nb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: c1e153ab096482f446ae869583c6ae55 Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1227 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Na read from file: /users/gautes/Pseudo/Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 13bcaa2858b974004ed12db349b14e76 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1121 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Nb 13.00 92.90640 Nb( 1.00) Na 9.00 22.98980 Na( 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= 313 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 2) = ( 0.0000000 0.0121951 -0.0000000), wk = 0.0031949 k( 3) = ( 0.0000000 0.0243902 -0.0000000), wk = 0.0031949 k( 4) = ( 0.0000000 0.0365854 -0.0000000), wk = 0.0031949 k( 5) = ( 0.0000000 0.0487805 -0.0000000), wk = 0.0031949 k( 6) = ( 0.0000000 0.0609756 -0.0000000), wk = 0.0031949 k( 7) = ( 0.0000000 0.0731707 -0.0000000), wk = 0.0031949 k( 8) = ( 0.0000000 0.0853658 -0.0000000), wk = 0.0031949 k( 9) = ( 0.0000000 0.0975610 -0.0000000), wk = 0.0031949 k( 10) = ( 0.0000000 0.1097561 -0.0000000), wk = 0.0031949 k( 11) = ( 0.0000000 0.1219512 -0.0000000), wk = 0.0031949 k( 12) = ( 0.0000000 0.1341463 -0.0000000), wk = 0.0031949 k( 13) = ( 0.0000000 0.1463415 -0.0000000), wk = 0.0031949 k( 14) = ( 0.0000000 0.1585366 -0.0000000), wk = 0.0031949 k( 15) = ( 0.0000000 0.1707317 -0.0000000), wk = 0.0031949 k( 16) = ( 0.0000000 0.1829268 -0.0000000), wk = 0.0031949 k( 17) = ( 0.0000000 0.1951219 -0.0000000), wk = 0.0031949 k( 18) = ( 0.0000000 0.2073171 -0.0000000), wk = 0.0031949 k( 19) = ( 0.0000000 0.2195122 -0.0000000), wk = 0.0031949 k( 20) = ( 0.0000000 0.2317073 -0.0000000), wk = 0.0031949 k( 21) = ( 0.0000000 0.2439024 -0.0000000), wk = 0.0031949 k( 22) = ( 0.0000000 0.2560976 -0.0000000), wk = 0.0031949 k( 23) = ( 0.0000000 0.2682927 -0.0000000), wk = 0.0031949 k( 24) = ( 0.0000000 0.2804878 -0.0000000), wk = 0.0031949 k( 25) = ( 0.0000000 0.2926829 -0.0000000), wk = 0.0031949 k( 26) = ( 0.0000000 0.3048781 -0.0000000), wk = 0.0031949 k( 27) = ( 0.0000000 0.3170732 -0.0000000), wk = 0.0031949 k( 28) = ( 0.0000000 0.3292683 -0.0000000), wk = 0.0031949 k( 29) = ( 0.0000000 0.3414634 -0.0000000), wk = 0.0031949 k( 30) = ( 0.0000000 0.3536585 -0.0000000), wk = 0.0031949 k( 31) = ( 0.0000000 0.3658537 -0.0000000), wk = 0.0031949 k( 32) = ( 0.0000000 0.3780488 -0.0000000), wk = 0.0031949 k( 33) = ( 0.0000000 0.3902439 -0.0000000), wk = 0.0031949 k( 34) = ( 0.0000000 0.4024390 -0.0000000), wk = 0.0031949 k( 35) = ( 0.0000000 0.4146341 -0.0000000), wk = 0.0031949 k( 36) = ( 0.0000000 0.4268293 -0.0000000), wk = 0.0031949 k( 37) = ( 0.0000000 0.4390244 -0.0000000), wk = 0.0031949 k( 38) = ( 0.0000000 0.4512195 -0.0000000), wk = 0.0031949 k( 39) = ( 0.0000000 0.4634146 -0.0000000), wk = 0.0031949 k( 40) = ( 0.0000000 0.4756098 -0.0000000), wk = 0.0031949 k( 41) = ( 0.0000000 0.4878049 -0.0000000), wk = 0.0031949 k( 42) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031949 k( 43) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031949 k( 44) = ( 0.0121951 0.5000000 -0.0000000), wk = 0.0031949 k( 45) = ( 0.0243902 0.5000000 -0.0000000), wk = 0.0031949 k( 46) = ( 0.0365854 0.5000000 -0.0000000), wk = 0.0031949 k( 47) = ( 0.0487805 0.5000000 -0.0000000), wk = 0.0031949 k( 48) = ( 0.0609756 0.5000000 -0.0000000), wk = 0.0031949 k( 49) = ( 0.0731707 0.5000000 -0.0000000), wk = 0.0031949 k( 50) = ( 0.0853658 0.5000000 -0.0000000), wk = 0.0031949 k( 51) = ( 0.0975610 0.5000000 -0.0000000), wk = 0.0031949 k( 52) = ( 0.1097561 0.5000000 -0.0000000), wk = 0.0031949 k( 53) = ( 0.1219512 0.5000000 -0.0000000), wk = 0.0031949 k( 54) = ( 0.1341463 0.5000000 -0.0000000), wk = 0.0031949 k( 55) = ( 0.1463415 0.5000000 -0.0000000), wk = 0.0031949 k( 56) = ( 0.1585366 0.5000000 -0.0000000), wk = 0.0031949 k( 57) = ( 0.1707317 0.5000000 -0.0000000), wk = 0.0031949 k( 58) = ( 0.1829268 0.5000000 -0.0000000), wk = 0.0031949 k( 59) = ( 0.1951219 0.5000000 -0.0000000), wk = 0.0031949 k( 60) = ( 0.2073171 0.5000000 -0.0000000), wk = 0.0031949 k( 61) = ( 0.2195122 0.5000000 -0.0000000), wk = 0.0031949 k( 62) = ( 0.2317073 0.5000000 -0.0000000), wk = 0.0031949 k( 63) = ( 0.2439024 0.5000000 -0.0000000), wk = 0.0031949 k( 64) = ( 0.2560976 0.5000000 -0.0000000), wk = 0.0031949 k( 65) = ( 0.2682927 0.5000000 -0.0000000), wk = 0.0031949 k( 66) = ( 0.2804878 0.5000000 -0.0000000), wk = 0.0031949 k( 67) = ( 0.2926829 0.5000000 -0.0000000), wk = 0.0031949 k( 68) = ( 0.3048781 0.5000000 -0.0000000), wk = 0.0031949 k( 69) = ( 0.3170732 0.5000000 -0.0000000), wk = 0.0031949 k( 70) = ( 0.3292683 0.5000000 -0.0000000), wk = 0.0031949 k( 71) = ( 0.3414634 0.5000000 -0.0000000), wk = 0.0031949 k( 72) = ( 0.3536585 0.5000000 -0.0000000), wk = 0.0031949 k( 73) = ( 0.3658537 0.5000000 -0.0000000), wk = 0.0031949 k( 74) = ( 0.3780488 0.5000000 -0.0000000), wk = 0.0031949 k( 75) = ( 0.3902439 0.5000000 -0.0000000), wk = 0.0031949 k( 76) = ( 0.4024390 0.5000000 -0.0000000), wk = 0.0031949 k( 77) = ( 0.4146341 0.5000000 -0.0000000), wk = 0.0031949 k( 78) = ( 0.4268293 0.5000000 -0.0000000), wk = 0.0031949 k( 79) = ( 0.4390244 0.5000000 -0.0000000), wk = 0.0031949 k( 80) = ( 0.4512195 0.5000000 -0.0000000), wk = 0.0031949 k( 81) = ( 0.4634146 0.5000000 -0.0000000), wk = 0.0031949 k( 82) = ( 0.4756098 0.5000000 -0.0000000), wk = 0.0031949 k( 83) = ( 0.4878049 0.5000000 -0.0000000), wk = 0.0031949 k( 84) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031949 k( 85) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031949 k( 86) = ( 0.4912281 0.4912281 -0.0000000), wk = 0.0031949 k( 87) = ( 0.4824561 0.4824561 -0.0000000), wk = 0.0031949 k( 88) = ( 0.4736842 0.4736842 -0.0000000), wk = 0.0031949 k( 89) = ( 0.4649123 0.4649123 -0.0000000), wk = 0.0031949 k( 90) = ( 0.4561404 0.4561403 -0.0000000), wk = 0.0031949 k( 91) = ( 0.4473684 0.4473684 -0.0000000), wk = 0.0031949 k( 92) = ( 0.4385965 0.4385965 -0.0000000), wk = 0.0031949 k( 93) = ( 0.4298246 0.4298246 -0.0000000), wk = 0.0031949 k( 94) = ( 0.4210526 0.4210526 -0.0000000), wk = 0.0031949 k( 95) = ( 0.4122807 0.4122807 -0.0000000), wk = 0.0031949 k( 96) = ( 0.4035088 0.4035088 -0.0000000), wk = 0.0031949 k( 97) = ( 0.3947368 0.3947368 -0.0000000), wk = 0.0031949 k( 98) = ( 0.3859649 0.3859649 -0.0000000), wk = 0.0031949 k( 99) = ( 0.3771930 0.3771930 -0.0000000), wk = 0.0031949 k( 100) = ( 0.3684211 0.3684210 -0.0000000), wk = 0.0031949 k( 101) = ( 0.3596491 0.3596491 -0.0000000), wk = 0.0031949 k( 102) = ( 0.3508772 0.3508772 -0.0000000), wk = 0.0031949 k( 103) = ( 0.3421053 0.3421053 -0.0000000), wk = 0.0031949 k( 104) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0031949 k( 105) = ( 0.3245614 0.3245614 -0.0000000), wk = 0.0031949 k( 106) = ( 0.3157895 0.3157895 -0.0000000), wk = 0.0031949 k( 107) = ( 0.3070175 0.3070175 -0.0000000), wk = 0.0031949 k( 108) = ( 0.2982456 0.2982456 -0.0000000), wk = 0.0031949 k( 109) = ( 0.2894737 0.2894737 -0.0000000), wk = 0.0031949 k( 110) = ( 0.2807018 0.2807017 -0.0000000), wk = 0.0031949 k( 111) = ( 0.2719298 0.2719298 -0.0000000), wk = 0.0031949 k( 112) = ( 0.2631579 0.2631579 -0.0000000), wk = 0.0031949 k( 113) = ( 0.2543860 0.2543860 -0.0000000), wk = 0.0031949 k( 114) = ( 0.2456140 0.2456140 -0.0000000), wk = 0.0031949 k( 115) = ( 0.2368421 0.2368421 -0.0000000), wk = 0.0031949 k( 116) = ( 0.2280702 0.2280702 -0.0000000), wk = 0.0031949 k( 117) = ( 0.2192983 0.2192982 -0.0000000), wk = 0.0031949 k( 118) = ( 0.2105263 0.2105263 -0.0000000), wk = 0.0031949 k( 119) = ( 0.2017544 0.2017544 -0.0000000), wk = 0.0031949 k( 120) = ( 0.1929825 0.1929825 -0.0000000), wk = 0.0031949 k( 121) = ( 0.1842105 0.1842105 -0.0000000), wk = 0.0031949 k( 122) = ( 0.1754386 0.1754386 -0.0000000), wk = 0.0031949 k( 123) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0031949 k( 124) = ( 0.1578947 0.1578947 -0.0000000), wk = 0.0031949 k( 125) = ( 0.1491228 0.1491228 -0.0000000), wk = 0.0031949 k( 126) = ( 0.1403509 0.1403509 -0.0000000), wk = 0.0031949 k( 127) = ( 0.1315790 0.1315790 -0.0000000), wk = 0.0031949 k( 128) = ( 0.1228070 0.1228070 -0.0000000), wk = 0.0031949 k( 129) = ( 0.1140351 0.1140351 -0.0000000), wk = 0.0031949 k( 130) = ( 0.1052632 0.1052632 -0.0000000), wk = 0.0031949 k( 131) = ( 0.0964912 0.0964912 -0.0000000), wk = 0.0031949 k( 132) = ( 0.0877193 0.0877193 -0.0000000), wk = 0.0031949 k( 133) = ( 0.0789474 0.0789474 -0.0000000), wk = 0.0031949 k( 134) = ( 0.0701754 0.0701754 -0.0000000), wk = 0.0031949 k( 135) = ( 0.0614035 0.0614035 -0.0000000), wk = 0.0031949 k( 136) = ( 0.0526316 0.0526316 -0.0000000), wk = 0.0031949 k( 137) = ( 0.0438597 0.0438596 -0.0000000), wk = 0.0031949 k( 138) = ( 0.0350877 0.0350877 -0.0000000), wk = 0.0031949 k( 139) = ( 0.0263158 0.0263158 -0.0000000), wk = 0.0031949 k( 140) = ( 0.0175439 0.0175439 -0.0000000), wk = 0.0031949 k( 141) = ( 0.0087719 0.0087719 -0.0000000), wk = 0.0031949 k( 142) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 144) = ( 0.0071429 0.0071429 0.0071429), wk = 0.0031949 k( 145) = ( 0.0142857 0.0142857 0.0142857), wk = 0.0031949 k( 146) = ( 0.0214286 0.0214286 0.0214286), wk = 0.0031949 k( 147) = ( 0.0285714 0.0285714 0.0285714), wk = 0.0031949 k( 148) = ( 0.0357143 0.0357143 0.0357143), wk = 0.0031949 k( 149) = ( 0.0428571 0.0428571 0.0428571), wk = 0.0031949 k( 150) = ( 0.0500000 0.0500000 0.0500000), wk = 0.0031949 k( 151) = ( 0.0571429 0.0571429 0.0571429), wk = 0.0031949 k( 152) = ( 0.0642857 0.0642857 0.0642857), wk = 0.0031949 k( 153) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0031949 k( 154) = ( 0.0785714 0.0785714 0.0785714), wk = 0.0031949 k( 155) = ( 0.0857143 0.0857143 0.0857143), wk = 0.0031949 k( 156) = ( 0.0928571 0.0928571 0.0928571), wk = 0.0031949 k( 157) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0031949 k( 158) = ( 0.1071429 0.1071429 0.1071429), wk = 0.0031949 k( 159) = ( 0.1142857 0.1142857 0.1142857), wk = 0.0031949 k( 160) = ( 0.1214286 0.1214286 0.1214286), wk = 0.0031949 k( 161) = ( 0.1285714 0.1285714 0.1285714), wk = 0.0031949 k( 162) = ( 0.1357143 0.1357143 0.1357143), wk = 0.0031949 k( 163) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0031949 k( 164) = ( 0.1500000 0.1500000 0.1500000), wk = 0.0031949 k( 165) = ( 0.1571429 0.1571429 0.1571429), wk = 0.0031949 k( 166) = ( 0.1642857 0.1642857 0.1642857), wk = 0.0031949 k( 167) = ( 0.1714286 0.1714286 0.1714286), wk = 0.0031949 k( 168) = ( 0.1785714 0.1785714 0.1785714), wk = 0.0031949 k( 169) = ( 0.1857143 0.1857143 0.1857143), wk = 0.0031949 k( 170) = ( 0.1928571 0.1928571 0.1928571), wk = 0.0031949 k( 171) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0031949 k( 172) = ( 0.2071429 0.2071429 0.2071429), wk = 0.0031949 k( 173) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0031949 k( 174) = ( 0.2214286 0.2214286 0.2214286), wk = 0.0031949 k( 175) = ( 0.2285714 0.2285714 0.2285714), wk = 0.0031949 k( 176) = ( 0.2357143 0.2357143 0.2357143), wk = 0.0031949 k( 177) = ( 0.2428571 0.2428571 0.2428571), wk = 0.0031949 k( 178) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0031949 k( 179) = ( 0.2571429 0.2571429 0.2571429), wk = 0.0031949 k( 180) = ( 0.2642857 0.2642857 0.2642857), wk = 0.0031949 k( 181) = ( 0.2714286 0.2714286 0.2714286), wk = 0.0031949 k( 182) = ( 0.2785714 0.2785714 0.2785714), wk = 0.0031949 k( 183) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0031949 k( 184) = ( 0.2928571 0.2928571 0.2928571), wk = 0.0031949 k( 185) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0031949 k( 186) = ( 0.3071429 0.3071429 0.3071429), wk = 0.0031949 k( 187) = ( 0.3142857 0.3142857 0.3142857), wk = 0.0031949 k( 188) = ( 0.3214286 0.3214286 0.3214286), wk = 0.0031949 k( 189) = ( 0.3285714 0.3285714 0.3285714), wk = 0.0031949 k( 190) = ( 0.3357143 0.3357143 0.3357143), wk = 0.0031949 k( 191) = ( 0.3428571 0.3428571 0.3428571), wk = 0.0031949 k( 192) = ( 0.3500000 0.3500000 0.3500000), wk = 0.0031949 k( 193) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0031949 k( 194) = ( 0.3642857 0.3642857 0.3642857), wk = 0.0031949 k( 195) = ( 0.3714286 0.3714286 0.3714286), wk = 0.0031949 k( 196) = ( 0.3785714 0.3785714 0.3785714), wk = 0.0031949 k( 197) = ( 0.3857143 0.3857143 0.3857143), wk = 0.0031949 k( 198) = ( 0.3928571 0.3928571 0.3928571), wk = 0.0031949 k( 199) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0031949 k( 200) = ( 0.4071429 0.4071429 0.4071429), wk = 0.0031949 k( 201) = ( 0.4142857 0.4142857 0.4142857), wk = 0.0031949 k( 202) = ( 0.4214286 0.4214286 0.4214286), wk = 0.0031949 k( 203) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0031949 k( 204) = ( 0.4357143 0.4357143 0.4357143), wk = 0.0031949 k( 205) = ( 0.4428571 0.4428571 0.4428571), wk = 0.0031949 k( 206) = ( 0.4500000 0.4500000 0.4500000), wk = 0.0031949 k( 207) = ( 0.4571429 0.4571429 0.4571429), wk = 0.0031949 k( 208) = ( 0.4642857 0.4642857 0.4642857), wk = 0.0031949 k( 209) = ( 0.4714286 0.4714286 0.4714286), wk = 0.0031949 k( 210) = ( 0.4785714 0.4785714 0.4785714), wk = 0.0031949 k( 211) = ( 0.4857143 0.4857143 0.4857143), wk = 0.0031949 k( 212) = ( 0.4928571 0.4928571 0.4928571), wk = 0.0031949 k( 213) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031949 k( 214) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031949 k( 215) = ( 0.4912281 0.5000000 0.4912281), wk = 0.0031949 k( 216) = ( 0.4824561 0.5000000 0.4824561), wk = 0.0031949 k( 217) = ( 0.4736842 0.5000000 0.4736842), wk = 0.0031949 k( 218) = ( 0.4649123 0.5000000 0.4649123), wk = 0.0031949 k( 219) = ( 0.4561404 0.5000000 0.4561403), wk = 0.0031949 k( 220) = ( 0.4473684 0.5000000 0.4473684), wk = 0.0031949 k( 221) = ( 0.4385965 0.5000000 0.4385965), wk = 0.0031949 k( 222) = ( 0.4298246 0.5000000 0.4298246), wk = 0.0031949 k( 223) = ( 0.4210526 0.5000000 0.4210526), wk = 0.0031949 k( 224) = ( 0.4122807 0.5000000 0.4122807), wk = 0.0031949 k( 225) = ( 0.4035088 0.5000000 0.4035088), wk = 0.0031949 k( 226) = ( 0.3947368 0.5000000 0.3947368), wk = 0.0031949 k( 227) = ( 0.3859649 0.5000000 0.3859649), wk = 0.0031949 k( 228) = ( 0.3771930 0.5000000 0.3771930), wk = 0.0031949 k( 229) = ( 0.3684211 0.5000000 0.3684210), wk = 0.0031949 k( 230) = ( 0.3596491 0.5000000 0.3596491), wk = 0.0031949 k( 231) = ( 0.3508772 0.5000000 0.3508772), wk = 0.0031949 k( 232) = ( 0.3421053 0.5000000 0.3421053), wk = 0.0031949 k( 233) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0031949 k( 234) = ( 0.3245614 0.5000000 0.3245614), wk = 0.0031949 k( 235) = ( 0.3157895 0.5000000 0.3157895), wk = 0.0031949 k( 236) = ( 0.3070175 0.5000000 0.3070175), wk = 0.0031949 k( 237) = ( 0.2982456 0.5000000 0.2982456), wk = 0.0031949 k( 238) = ( 0.2894737 0.5000000 0.2894737), wk = 0.0031949 k( 239) = ( 0.2807018 0.5000000 0.2807017), wk = 0.0031949 k( 240) = ( 0.2719298 0.5000000 0.2719298), wk = 0.0031949 k( 241) = ( 0.2631579 0.5000000 0.2631579), wk = 0.0031949 k( 242) = ( 0.2543860 0.5000000 0.2543860), wk = 0.0031949 k( 243) = ( 0.2456140 0.5000000 0.2456140), wk = 0.0031949 k( 244) = ( 0.2368421 0.5000000 0.2368421), wk = 0.0031949 k( 245) = ( 0.2280702 0.5000000 0.2280702), wk = 0.0031949 k( 246) = ( 0.2192983 0.5000000 0.2192982), wk = 0.0031949 k( 247) = ( 0.2105263 0.5000000 0.2105263), wk = 0.0031949 k( 248) = ( 0.2017544 0.5000000 0.2017544), wk = 0.0031949 k( 249) = ( 0.1929825 0.5000000 0.1929825), wk = 0.0031949 k( 250) = ( 0.1842105 0.5000000 0.1842105), wk = 0.0031949 k( 251) = ( 0.1754386 0.5000000 0.1754386), wk = 0.0031949 k( 252) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0031949 k( 253) = ( 0.1578947 0.5000000 0.1578947), wk = 0.0031949 k( 254) = ( 0.1491228 0.5000000 0.1491228), wk = 0.0031949 k( 255) = ( 0.1403509 0.5000000 0.1403509), wk = 0.0031949 k( 256) = ( 0.1315790 0.5000000 0.1315789), wk = 0.0031949 k( 257) = ( 0.1228070 0.5000000 0.1228070), wk = 0.0031949 k( 258) = ( 0.1140351 0.5000000 0.1140351), wk = 0.0031949 k( 259) = ( 0.1052632 0.5000000 0.1052632), wk = 0.0031949 k( 260) = ( 0.0964912 0.5000000 0.0964912), wk = 0.0031949 k( 261) = ( 0.0877193 0.5000000 0.0877193), wk = 0.0031949 k( 262) = ( 0.0789474 0.5000000 0.0789474), wk = 0.0031949 k( 263) = ( 0.0701754 0.5000000 0.0701754), wk = 0.0031949 k( 264) = ( 0.0614035 0.5000000 0.0614035), wk = 0.0031949 k( 265) = ( 0.0526316 0.5000000 0.0526316), wk = 0.0031949 k( 266) = ( 0.0438597 0.5000000 0.0438596), wk = 0.0031949 k( 267) = ( 0.0350877 0.5000000 0.0350877), wk = 0.0031949 k( 268) = ( 0.0263158 0.5000000 0.0263158), wk = 0.0031949 k( 269) = ( 0.0175439 0.5000000 0.0175439), wk = 0.0031949 k( 270) = ( 0.0087719 0.5000000 0.0087719), wk = 0.0031949 k( 271) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031949 k( 272) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031949 k( 273) = ( 0.5000000 0.5000000 0.0121951), wk = 0.0031949 k( 274) = ( 0.5000000 0.5000000 0.0243902), wk = 0.0031949 k( 275) = ( 0.5000000 0.5000000 0.0365854), wk = 0.0031949 k( 276) = ( 0.5000000 0.5000000 0.0487805), wk = 0.0031949 k( 277) = ( 0.5000000 0.5000000 0.0609756), wk = 0.0031949 k( 278) = ( 0.5000000 0.5000000 0.0731707), wk = 0.0031949 k( 279) = ( 0.5000000 0.5000000 0.0853658), wk = 0.0031949 k( 280) = ( 0.5000000 0.5000000 0.0975610), wk = 0.0031949 k( 281) = ( 0.5000000 0.5000000 0.1097561), wk = 0.0031949 k( 282) = ( 0.5000000 0.5000000 0.1219512), wk = 0.0031949 k( 283) = ( 0.5000000 0.5000000 0.1341463), wk = 0.0031949 k( 284) = ( 0.5000000 0.5000000 0.1463415), wk = 0.0031949 k( 285) = ( 0.5000000 0.5000000 0.1585366), wk = 0.0031949 k( 286) = ( 0.5000000 0.5000000 0.1707317), wk = 0.0031949 k( 287) = ( 0.5000000 0.5000000 0.1829268), wk = 0.0031949 k( 288) = ( 0.5000000 0.5000000 0.1951219), wk = 0.0031949 k( 289) = ( 0.5000000 0.5000000 0.2073171), wk = 0.0031949 k( 290) = ( 0.5000000 0.5000000 0.2195122), wk = 0.0031949 k( 291) = ( 0.5000000 0.5000000 0.2317073), wk = 0.0031949 k( 292) = ( 0.5000000 0.5000000 0.2439024), wk = 0.0031949 k( 293) = ( 0.5000000 0.5000000 0.2560976), wk = 0.0031949 k( 294) = ( 0.5000000 0.5000000 0.2682927), wk = 0.0031949 k( 295) = ( 0.5000000 0.5000000 0.2804878), wk = 0.0031949 k( 296) = ( 0.5000000 0.5000000 0.2926829), wk = 0.0031949 k( 297) = ( 0.5000000 0.5000000 0.3048780), wk = 0.0031949 k( 298) = ( 0.5000000 0.5000000 0.3170732), wk = 0.0031949 k( 299) = ( 0.5000000 0.5000000 0.3292683), wk = 0.0031949 k( 300) = ( 0.5000000 0.5000000 0.3414634), wk = 0.0031949 k( 301) = ( 0.5000000 0.5000000 0.3536585), wk = 0.0031949 k( 302) = ( 0.5000000 0.5000000 0.3658537), wk = 0.0031949 k( 303) = ( 0.5000000 0.5000000 0.3780488), wk = 0.0031949 k( 304) = ( 0.5000000 0.5000000 0.3902439), wk = 0.0031949 k( 305) = ( 0.5000000 0.5000000 0.4024390), wk = 0.0031949 k( 306) = ( 0.5000000 0.5000000 0.4146341), wk = 0.0031949 k( 307) = ( 0.5000000 0.5000000 0.4268293), wk = 0.0031949 k( 308) = ( 0.5000000 0.5000000 0.4390244), wk = 0.0031949 k( 309) = ( 0.5000000 0.5000000 0.4512195), wk = 0.0031949 k( 310) = ( 0.5000000 0.5000000 0.4634146), wk = 0.0031949 k( 311) = ( 0.5000000 0.5000000 0.4756098), wk = 0.0031949 k( 312) = ( 0.5000000 0.5000000 0.4878049), wk = 0.0031949 k( 313) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031949 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 2) = ( 0.0000000 0.0121951 0.0000000), wk = 0.0031949 k( 3) = ( 0.0000000 0.0243902 0.0000000), wk = 0.0031949 k( 4) = ( 0.0000000 0.0365854 0.0000000), wk = 0.0031949 k( 5) = ( 0.0000000 0.0487805 0.0000000), wk = 0.0031949 k( 6) = ( 0.0000000 0.0609756 0.0000000), wk = 0.0031949 k( 7) = ( 0.0000000 0.0731707 0.0000000), wk = 0.0031949 k( 8) = ( 0.0000000 0.0853658 0.0000000), wk = 0.0031949 k( 9) = ( 0.0000000 0.0975610 0.0000000), wk = 0.0031949 k( 10) = ( 0.0000000 0.1097561 0.0000000), wk = 0.0031949 k( 11) = ( 0.0000000 0.1219512 0.0000000), wk = 0.0031949 k( 12) = ( 0.0000000 0.1341463 0.0000000), wk = 0.0031949 k( 13) = ( 0.0000000 0.1463415 0.0000000), wk = 0.0031949 k( 14) = ( 0.0000000 0.1585366 0.0000000), wk = 0.0031949 k( 15) = ( 0.0000000 0.1707317 0.0000000), wk = 0.0031949 k( 16) = ( 0.0000000 0.1829268 0.0000000), wk = 0.0031949 k( 17) = ( 0.0000000 0.1951219 0.0000000), wk = 0.0031949 k( 18) = ( 0.0000000 0.2073171 0.0000000), wk = 0.0031949 k( 19) = ( 0.0000000 0.2195122 0.0000000), wk = 0.0031949 k( 20) = ( 0.0000000 0.2317073 0.0000000), wk = 0.0031949 k( 21) = ( 0.0000000 0.2439024 0.0000000), wk = 0.0031949 k( 22) = ( 0.0000000 0.2560976 0.0000000), wk = 0.0031949 k( 23) = ( 0.0000000 0.2682927 0.0000000), wk = 0.0031949 k( 24) = ( 0.0000000 0.2804878 0.0000000), wk = 0.0031949 k( 25) = ( 0.0000000 0.2926829 0.0000000), wk = 0.0031949 k( 26) = ( 0.0000000 0.3048781 0.0000000), wk = 0.0031949 k( 27) = ( 0.0000000 0.3170732 0.0000000), wk = 0.0031949 k( 28) = ( 0.0000000 0.3292683 0.0000000), wk = 0.0031949 k( 29) = ( 0.0000000 0.3414634 0.0000000), wk = 0.0031949 k( 30) = ( 0.0000000 0.3536585 0.0000000), wk = 0.0031949 k( 31) = ( 0.0000000 0.3658537 0.0000000), wk = 0.0031949 k( 32) = ( 0.0000000 0.3780488 0.0000000), wk = 0.0031949 k( 33) = ( 0.0000000 0.3902439 0.0000000), wk = 0.0031949 k( 34) = ( 0.0000000 0.4024390 0.0000000), wk = 0.0031949 k( 35) = ( 0.0000000 0.4146341 0.0000000), wk = 0.0031949 k( 36) = ( 0.0000000 0.4268293 0.0000000), wk = 0.0031949 k( 37) = ( 0.0000000 0.4390244 0.0000000), wk = 0.0031949 k( 38) = ( 0.0000000 0.4512195 0.0000000), wk = 0.0031949 k( 39) = ( 0.0000000 0.4634146 0.0000000), wk = 0.0031949 k( 40) = ( 0.0000000 0.4756098 0.0000000), wk = 0.0031949 k( 41) = ( 0.0000000 0.4878049 0.0000000), wk = 0.0031949 k( 42) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0031949 k( 43) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0031949 k( 44) = ( 0.0121951 0.5000000 0.0000000), wk = 0.0031949 k( 45) = ( 0.0243902 0.5000000 0.0000000), wk = 0.0031949 k( 46) = ( 0.0365854 0.5000000 0.0000000), wk = 0.0031949 k( 47) = ( 0.0487805 0.5000000 0.0000000), wk = 0.0031949 k( 48) = ( 0.0609756 0.5000000 0.0000000), wk = 0.0031949 k( 49) = ( 0.0731707 0.5000000 0.0000000), wk = 0.0031949 k( 50) = ( 0.0853658 0.5000000 0.0000000), wk = 0.0031949 k( 51) = ( 0.0975610 0.5000000 0.0000000), wk = 0.0031949 k( 52) = ( 0.1097561 0.5000000 0.0000000), wk = 0.0031949 k( 53) = ( 0.1219512 0.5000000 0.0000000), wk = 0.0031949 k( 54) = ( 0.1341463 0.5000000 0.0000000), wk = 0.0031949 k( 55) = ( 0.1463415 0.5000000 0.0000000), wk = 0.0031949 k( 56) = ( 0.1585366 0.5000000 0.0000000), wk = 0.0031949 k( 57) = ( 0.1707317 0.5000000 0.0000000), wk = 0.0031949 k( 58) = ( 0.1829268 0.5000000 0.0000000), wk = 0.0031949 k( 59) = ( 0.1951219 0.5000000 0.0000000), wk = 0.0031949 k( 60) = ( 0.2073171 0.5000000 0.0000000), wk = 0.0031949 k( 61) = ( 0.2195122 0.5000000 0.0000000), wk = 0.0031949 k( 62) = ( 0.2317073 0.5000000 0.0000000), wk = 0.0031949 k( 63) = ( 0.2439024 0.5000000 0.0000000), wk = 0.0031949 k( 64) = ( 0.2560976 0.5000000 0.0000000), wk = 0.0031949 k( 65) = ( 0.2682927 0.5000000 0.0000000), wk = 0.0031949 k( 66) = ( 0.2804878 0.5000000 0.0000000), wk = 0.0031949 k( 67) = ( 0.2926829 0.5000000 0.0000000), wk = 0.0031949 k( 68) = ( 0.3048781 0.5000000 0.0000000), wk = 0.0031949 k( 69) = ( 0.3170732 0.5000000 0.0000000), wk = 0.0031949 k( 70) = ( 0.3292683 0.5000000 -0.0000000), wk = 0.0031949 k( 71) = ( 0.3414634 0.5000000 0.0000000), wk = 0.0031949 k( 72) = ( 0.3536585 0.5000000 -0.0000000), wk = 0.0031949 k( 73) = ( 0.3658537 0.5000000 0.0000000), wk = 0.0031949 k( 74) = ( 0.3780488 0.5000000 0.0000000), wk = 0.0031949 k( 75) = ( 0.3902439 0.5000000 0.0000000), wk = 0.0031949 k( 76) = ( 0.4024390 0.5000000 -0.0000000), wk = 0.0031949 k( 77) = ( 0.4146341 0.5000000 0.0000000), wk = 0.0031949 k( 78) = ( 0.4268293 0.5000000 0.0000000), wk = 0.0031949 k( 79) = ( 0.4390244 0.5000000 0.0000000), wk = 0.0031949 k( 80) = ( 0.4512195 0.5000000 0.0000000), wk = 0.0031949 k( 81) = ( 0.4634146 0.5000000 0.0000000), wk = 0.0031949 k( 82) = ( 0.4756098 0.5000000 0.0000000), wk = 0.0031949 k( 83) = ( 0.4878049 0.5000000 0.0000000), wk = 0.0031949 k( 84) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0031949 k( 85) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0031949 k( 86) = ( 0.4912281 0.4912281 0.0000000), wk = 0.0031949 k( 87) = ( 0.4824561 0.4824561 0.0000000), wk = 0.0031949 k( 88) = ( 0.4736842 0.4736842 0.0000000), wk = 0.0031949 k( 89) = ( 0.4649123 0.4649123 0.0000000), wk = 0.0031949 k( 90) = ( 0.4561404 0.4561404 0.0000000), wk = 0.0031949 k( 91) = ( 0.4473684 0.4473684 0.0000000), wk = 0.0031949 k( 92) = ( 0.4385965 0.4385965 0.0000000), wk = 0.0031949 k( 93) = ( 0.4298246 0.4298246 0.0000000), wk = 0.0031949 k( 94) = ( 0.4210526 0.4210526 0.0000000), wk = 0.0031949 k( 95) = ( 0.4122807 0.4122807 0.0000000), wk = 0.0031949 k( 96) = ( 0.4035088 0.4035088 0.0000000), wk = 0.0031949 k( 97) = ( 0.3947368 0.3947368 0.0000000), wk = 0.0031949 k( 98) = ( 0.3859649 0.3859649 0.0000000), wk = 0.0031949 k( 99) = ( 0.3771930 0.3771930 0.0000000), wk = 0.0031949 k( 100) = ( 0.3684211 0.3684211 0.0000000), wk = 0.0031949 k( 101) = ( 0.3596491 0.3596491 0.0000000), wk = 0.0031949 k( 102) = ( 0.3508772 0.3508772 0.0000000), wk = 0.0031949 k( 103) = ( 0.3421053 0.3421053 0.0000000), wk = 0.0031949 k( 104) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0031949 k( 105) = ( 0.3245614 0.3245614 0.0000000), wk = 0.0031949 k( 106) = ( 0.3157895 0.3157895 0.0000000), wk = 0.0031949 k( 107) = ( 0.3070175 0.3070175 0.0000000), wk = 0.0031949 k( 108) = ( 0.2982456 0.2982456 0.0000000), wk = 0.0031949 k( 109) = ( 0.2894737 0.2894737 0.0000000), wk = 0.0031949 k( 110) = ( 0.2807018 0.2807018 0.0000000), wk = 0.0031949 k( 111) = ( 0.2719298 0.2719298 0.0000000), wk = 0.0031949 k( 112) = ( 0.2631579 0.2631579 0.0000000), wk = 0.0031949 k( 113) = ( 0.2543860 0.2543860 0.0000000), wk = 0.0031949 k( 114) = ( 0.2456140 0.2456140 0.0000000), wk = 0.0031949 k( 115) = ( 0.2368421 0.2368421 0.0000000), wk = 0.0031949 k( 116) = ( 0.2280702 0.2280702 0.0000000), wk = 0.0031949 k( 117) = ( 0.2192983 0.2192983 0.0000000), wk = 0.0031949 k( 118) = ( 0.2105263 0.2105263 0.0000000), wk = 0.0031949 k( 119) = ( 0.2017544 0.2017544 0.0000000), wk = 0.0031949 k( 120) = ( 0.1929825 0.1929825 0.0000000), wk = 0.0031949 k( 121) = ( 0.1842105 0.1842105 0.0000000), wk = 0.0031949 k( 122) = ( 0.1754386 0.1754386 0.0000000), wk = 0.0031949 k( 123) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0031949 k( 124) = ( 0.1578947 0.1578947 0.0000000), wk = 0.0031949 k( 125) = ( 0.1491228 0.1491228 0.0000000), wk = 0.0031949 k( 126) = ( 0.1403509 0.1403509 0.0000000), wk = 0.0031949 k( 127) = ( 0.1315790 0.1315790 0.0000000), wk = 0.0031949 k( 128) = ( 0.1228070 0.1228070 0.0000000), wk = 0.0031949 k( 129) = ( 0.1140351 0.1140351 0.0000000), wk = 0.0031949 k( 130) = ( 0.1052632 0.1052632 0.0000000), wk = 0.0031949 k( 131) = ( 0.0964912 0.0964912 0.0000000), wk = 0.0031949 k( 132) = ( 0.0877193 0.0877193 0.0000000), wk = 0.0031949 k( 133) = ( 0.0789474 0.0789474 0.0000000), wk = 0.0031949 k( 134) = ( 0.0701754 0.0701754 0.0000000), wk = 0.0031949 k( 135) = ( 0.0614035 0.0614035 0.0000000), wk = 0.0031949 k( 136) = ( 0.0526316 0.0526316 0.0000000), wk = 0.0031949 k( 137) = ( 0.0438597 0.0438597 0.0000000), wk = 0.0031949 k( 138) = ( 0.0350877 0.0350877 0.0000000), wk = 0.0031949 k( 139) = ( 0.0263158 0.0263158 0.0000000), wk = 0.0031949 k( 140) = ( 0.0175439 0.0175439 0.0000000), wk = 0.0031949 k( 141) = ( 0.0087719 0.0087719 0.0000000), wk = 0.0031949 k( 142) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 144) = ( 0.0071429 0.0071429 0.0071429), wk = 0.0031949 k( 145) = ( 0.0142857 0.0142857 0.0142857), wk = 0.0031949 k( 146) = ( 0.0214286 0.0214286 0.0214286), wk = 0.0031949 k( 147) = ( 0.0285714 0.0285714 0.0285714), wk = 0.0031949 k( 148) = ( 0.0357143 0.0357143 0.0357143), wk = 0.0031949 k( 149) = ( 0.0428571 0.0428571 0.0428571), wk = 0.0031949 k( 150) = ( 0.0500000 0.0500000 0.0500000), wk = 0.0031949 k( 151) = ( 0.0571429 0.0571429 0.0571429), wk = 0.0031949 k( 152) = ( 0.0642857 0.0642857 0.0642857), wk = 0.0031949 k( 153) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0031949 k( 154) = ( 0.0785714 0.0785714 0.0785714), wk = 0.0031949 k( 155) = ( 0.0857143 0.0857143 0.0857143), wk = 0.0031949 k( 156) = ( 0.0928571 0.0928571 0.0928571), wk = 0.0031949 k( 157) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0031949 k( 158) = ( 0.1071429 0.1071429 0.1071429), wk = 0.0031949 k( 159) = ( 0.1142857 0.1142857 0.1142857), wk = 0.0031949 k( 160) = ( 0.1214286 0.1214286 0.1214286), wk = 0.0031949 k( 161) = ( 0.1285714 0.1285714 0.1285714), wk = 0.0031949 k( 162) = ( 0.1357143 0.1357143 0.1357143), wk = 0.0031949 k( 163) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0031949 k( 164) = ( 0.1500000 0.1500000 0.1500000), wk = 0.0031949 k( 165) = ( 0.1571429 0.1571429 0.1571429), wk = 0.0031949 k( 166) = ( 0.1642857 0.1642857 0.1642857), wk = 0.0031949 k( 167) = ( 0.1714286 0.1714286 0.1714286), wk = 0.0031949 k( 168) = ( 0.1785714 0.1785714 0.1785714), wk = 0.0031949 k( 169) = ( 0.1857143 0.1857143 0.1857143), wk = 0.0031949 k( 170) = ( 0.1928571 0.1928571 0.1928571), wk = 0.0031949 k( 171) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0031949 k( 172) = ( 0.2071429 0.2071429 0.2071429), wk = 0.0031949 k( 173) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0031949 k( 174) = ( 0.2214286 0.2214286 0.2214286), wk = 0.0031949 k( 175) = ( 0.2285714 0.2285714 0.2285714), wk = 0.0031949 k( 176) = ( 0.2357143 0.2357143 0.2357143), wk = 0.0031949 k( 177) = ( 0.2428571 0.2428571 0.2428571), wk = 0.0031949 k( 178) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0031949 k( 179) = ( 0.2571429 0.2571429 0.2571429), wk = 0.0031949 k( 180) = ( 0.2642857 0.2642857 0.2642857), wk = 0.0031949 k( 181) = ( 0.2714286 0.2714286 0.2714286), wk = 0.0031949 k( 182) = ( 0.2785714 0.2785714 0.2785714), wk = 0.0031949 k( 183) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0031949 k( 184) = ( 0.2928571 0.2928571 0.2928571), wk = 0.0031949 k( 185) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0031949 k( 186) = ( 0.3071429 0.3071429 0.3071429), wk = 0.0031949 k( 187) = ( 0.3142857 0.3142857 0.3142857), wk = 0.0031949 k( 188) = ( 0.3214286 0.3214286 0.3214286), wk = 0.0031949 k( 189) = ( 0.3285714 0.3285714 0.3285714), wk = 0.0031949 k( 190) = ( 0.3357143 0.3357143 0.3357143), wk = 0.0031949 k( 191) = ( 0.3428571 0.3428571 0.3428571), wk = 0.0031949 k( 192) = ( 0.3500000 0.3500000 0.3500000), wk = 0.0031949 k( 193) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0031949 k( 194) = ( 0.3642857 0.3642857 0.3642857), wk = 0.0031949 k( 195) = ( 0.3714286 0.3714286 0.3714286), wk = 0.0031949 k( 196) = ( 0.3785714 0.3785714 0.3785714), wk = 0.0031949 k( 197) = ( 0.3857143 0.3857143 0.3857143), wk = 0.0031949 k( 198) = ( 0.3928571 0.3928571 0.3928571), wk = 0.0031949 k( 199) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0031949 k( 200) = ( 0.4071429 0.4071429 0.4071429), wk = 0.0031949 k( 201) = ( 0.4142857 0.4142857 0.4142857), wk = 0.0031949 k( 202) = ( 0.4214286 0.4214286 0.4214286), wk = 0.0031949 k( 203) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0031949 k( 204) = ( 0.4357143 0.4357143 0.4357143), wk = 0.0031949 k( 205) = ( 0.4428571 0.4428571 0.4428571), wk = 0.0031949 k( 206) = ( 0.4500000 0.4500000 0.4500000), wk = 0.0031949 k( 207) = ( 0.4571429 0.4571429 0.4571429), wk = 0.0031949 k( 208) = ( 0.4642857 0.4642857 0.4642857), wk = 0.0031949 k( 209) = ( 0.4714286 0.4714286 0.4714286), wk = 0.0031949 k( 210) = ( 0.4785714 0.4785714 0.4785714), wk = 0.0031949 k( 211) = ( 0.4857143 0.4857143 0.4857143), wk = 0.0031949 k( 212) = ( 0.4928571 0.4928571 0.4928571), wk = 0.0031949 k( 213) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031949 k( 214) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031949 k( 215) = ( 0.4912281 0.5000000 0.4912281), wk = 0.0031949 k( 216) = ( 0.4824561 0.5000000 0.4824561), wk = 0.0031949 k( 217) = ( 0.4736842 0.5000000 0.4736842), wk = 0.0031949 k( 218) = ( 0.4649123 0.5000000 0.4649123), wk = 0.0031949 k( 219) = ( 0.4561404 0.5000000 0.4561404), wk = 0.0031949 k( 220) = ( 0.4473684 0.5000000 0.4473684), wk = 0.0031949 k( 221) = ( 0.4385965 0.5000000 0.4385965), wk = 0.0031949 k( 222) = ( 0.4298246 0.5000000 0.4298246), wk = 0.0031949 k( 223) = ( 0.4210526 0.5000000 0.4210526), wk = 0.0031949 k( 224) = ( 0.4122807 0.5000000 0.4122807), wk = 0.0031949 k( 225) = ( 0.4035088 0.5000000 0.4035088), wk = 0.0031949 k( 226) = ( 0.3947368 0.5000000 0.3947368), wk = 0.0031949 k( 227) = ( 0.3859649 0.5000000 0.3859649), wk = 0.0031949 k( 228) = ( 0.3771930 0.5000000 0.3771930), wk = 0.0031949 k( 229) = ( 0.3684211 0.5000000 0.3684211), wk = 0.0031949 k( 230) = ( 0.3596491 0.5000000 0.3596491), wk = 0.0031949 k( 231) = ( 0.3508772 0.5000000 0.3508772), wk = 0.0031949 k( 232) = ( 0.3421053 0.5000000 0.3421053), wk = 0.0031949 k( 233) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0031949 k( 234) = ( 0.3245614 0.5000000 0.3245614), wk = 0.0031949 k( 235) = ( 0.3157895 0.5000000 0.3157895), wk = 0.0031949 k( 236) = ( 0.3070175 0.5000000 0.3070175), wk = 0.0031949 k( 237) = ( 0.2982456 0.5000000 0.2982456), wk = 0.0031949 k( 238) = ( 0.2894737 0.5000000 0.2894737), wk = 0.0031949 k( 239) = ( 0.2807018 0.5000000 0.2807018), wk = 0.0031949 k( 240) = ( 0.2719298 0.5000000 0.2719298), wk = 0.0031949 k( 241) = ( 0.2631579 0.5000000 0.2631579), wk = 0.0031949 k( 242) = ( 0.2543860 0.5000000 0.2543860), wk = 0.0031949 k( 243) = ( 0.2456140 0.5000000 0.2456140), wk = 0.0031949 k( 244) = ( 0.2368421 0.5000000 0.2368421), wk = 0.0031949 k( 245) = ( 0.2280702 0.5000000 0.2280702), wk = 0.0031949 k( 246) = ( 0.2192983 0.5000000 0.2192983), wk = 0.0031949 k( 247) = ( 0.2105263 0.5000000 0.2105263), wk = 0.0031949 k( 248) = ( 0.2017544 0.5000000 0.2017544), wk = 0.0031949 k( 249) = ( 0.1929825 0.5000000 0.1929825), wk = 0.0031949 k( 250) = ( 0.1842105 0.5000000 0.1842105), wk = 0.0031949 k( 251) = ( 0.1754386 0.5000000 0.1754386), wk = 0.0031949 k( 252) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0031949 k( 253) = ( 0.1578947 0.5000000 0.1578947), wk = 0.0031949 k( 254) = ( 0.1491228 0.5000000 0.1491228), wk = 0.0031949 k( 255) = ( 0.1403509 0.5000000 0.1403509), wk = 0.0031949 k( 256) = ( 0.1315790 0.5000000 0.1315790), wk = 0.0031949 k( 257) = ( 0.1228070 0.5000000 0.1228070), wk = 0.0031949 k( 258) = ( 0.1140351 0.5000000 0.1140351), wk = 0.0031949 k( 259) = ( 0.1052632 0.5000000 0.1052632), wk = 0.0031949 k( 260) = ( 0.0964912 0.5000000 0.0964912), wk = 0.0031949 k( 261) = ( 0.0877193 0.5000000 0.0877193), wk = 0.0031949 k( 262) = ( 0.0789474 0.5000000 0.0789474), wk = 0.0031949 k( 263) = ( 0.0701754 0.5000000 0.0701754), wk = 0.0031949 k( 264) = ( 0.0614035 0.5000000 0.0614035), wk = 0.0031949 k( 265) = ( 0.0526316 0.5000000 0.0526316), wk = 0.0031949 k( 266) = ( 0.0438597 0.5000000 0.0438597), wk = 0.0031949 k( 267) = ( 0.0350877 0.5000000 0.0350877), wk = 0.0031949 k( 268) = ( 0.0263158 0.5000000 0.0263158), wk = 0.0031949 k( 269) = ( 0.0175439 0.5000000 0.0175439), wk = 0.0031949 k( 270) = ( 0.0087719 0.5000000 0.0087719), wk = 0.0031949 k( 271) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0031949 k( 272) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0031949 k( 273) = ( 0.5000000 0.5000000 0.0121951), wk = 0.0031949 k( 274) = ( 0.5000000 0.5000000 0.0243902), wk = 0.0031949 k( 275) = ( 0.5000000 0.5000000 0.0365854), wk = 0.0031949 k( 276) = ( 0.5000000 0.5000000 0.0487805), wk = 0.0031949 k( 277) = ( 0.5000000 0.5000000 0.0609756), wk = 0.0031949 k( 278) = ( 0.5000000 0.5000000 0.0731707), wk = 0.0031949 k( 279) = ( 0.5000000 0.5000000 0.0853658), wk = 0.0031949 k( 280) = ( 0.5000000 0.5000000 0.0975610), wk = 0.0031949 k( 281) = ( 0.5000000 0.5000000 0.1097561), wk = 0.0031949 k( 282) = ( 0.5000000 0.5000000 0.1219512), wk = 0.0031949 k( 283) = ( 0.5000000 0.5000000 0.1341463), wk = 0.0031949 k( 284) = ( 0.5000000 0.5000000 0.1463415), wk = 0.0031949 k( 285) = ( 0.5000000 0.5000000 0.1585366), wk = 0.0031949 k( 286) = ( 0.5000000 0.5000000 0.1707317), wk = 0.0031949 k( 287) = ( 0.5000000 0.5000000 0.1829268), wk = 0.0031949 k( 288) = ( 0.5000000 0.5000000 0.1951219), wk = 0.0031949 k( 289) = ( 0.5000000 0.5000000 0.2073171), wk = 0.0031949 k( 290) = ( 0.5000000 0.5000000 0.2195122), wk = 0.0031949 k( 291) = ( 0.5000000 0.5000000 0.2317073), wk = 0.0031949 k( 292) = ( 0.5000000 0.5000000 0.2439024), wk = 0.0031949 k( 293) = ( 0.5000000 0.5000000 0.2560976), wk = 0.0031949 k( 294) = ( 0.5000000 0.5000000 0.2682927), wk = 0.0031949 k( 295) = ( 0.5000000 0.5000000 0.2804878), wk = 0.0031949 k( 296) = ( 0.5000000 0.5000000 0.2926829), wk = 0.0031949 k( 297) = ( 0.5000000 0.5000000 0.3048781), wk = 0.0031949 k( 298) = ( 0.5000000 0.5000000 0.3170732), wk = 0.0031949 k( 299) = ( 0.5000000 0.5000000 0.3292683), wk = 0.0031949 k( 300) = ( 0.5000000 0.5000000 0.3414634), wk = 0.0031949 k( 301) = ( 0.5000000 0.5000000 0.3536585), wk = 0.0031949 k( 302) = ( 0.5000000 0.5000000 0.3658537), wk = 0.0031949 k( 303) = ( 0.5000000 0.5000000 0.3780488), wk = 0.0031949 k( 304) = ( 0.5000000 0.5000000 0.3902439), wk = 0.0031949 k( 305) = ( 0.5000000 0.5000000 0.4024390), wk = 0.0031949 k( 306) = ( 0.5000000 0.5000000 0.4146341), wk = 0.0031949 k( 307) = ( 0.5000000 0.5000000 0.4268293), wk = 0.0031949 k( 308) = ( 0.5000000 0.5000000 0.4390244), wk = 0.0031949 k( 309) = ( 0.5000000 0.5000000 0.4512195), wk = 0.0031949 k( 310) = ( 0.5000000 0.5000000 0.4634146), wk = 0.0031949 k( 311) = ( 0.5000000 0.5000000 0.4756098), wk = 0.0031949 k( 312) = ( 0.5000000 0.5000000 0.4878049), wk = 0.0031949 k( 313) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031949 Dense grid: 39607 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 29711 G-vectors FFT dimensions: ( 40, 40, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.16 Mb ( 216, 48) NL pseudopotentials 0.15 Mb ( 108, 90) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1101) G-vector shells 0.00 Mb ( 278) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.63 Mb ( 216, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.13 Mb ( 90, 2, 48) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./NaNbO3.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 2.1 secs Computing kpt #: 2 total cpu time spent up to now is 2.5 secs Computing kpt #: 3 total cpu time spent up to now is 2.8 secs Computing kpt #: 4 total cpu time spent up to now is 3.1 secs Computing kpt #: 5 total cpu time spent up to now is 3.4 secs Computing kpt #: 6 total cpu time spent up to now is 3.7 secs Computing kpt #: 7 total cpu time spent up to now is 4.0 secs Computing kpt #: 8 total cpu time spent up to now is 4.3 secs Computing kpt #: 9 total cpu time spent up to now is 4.6 secs Computing kpt #: 10 total cpu time spent up to now is 5.0 secs Computing kpt #: 11 total cpu time spent up to now is 5.3 secs Computing kpt #: 12 total cpu time spent up to now is 5.6 secs Computing kpt #: 13 total cpu time spent up to now is 6.0 secs Computing kpt #: 14 total cpu time spent up to now is 6.3 secs Computing kpt #: 15 total cpu time spent up to now is 6.6 secs Computing kpt #: 16 total cpu time spent up to now is 7.0 secs Computing kpt #: 17 total cpu time spent up to now is 7.3 secs Computing kpt #: 18 total cpu time spent up to now is 7.7 secs Computing kpt #: 19 total cpu time spent up to now is 8.1 secs Computing kpt #: 20 total cpu time spent up to now is 8.4 secs Computing kpt #: 21 total cpu time spent up to now is 8.8 secs Computing kpt #: 22 total cpu time spent up to now is 9.2 secs Computing kpt #: 23 total cpu time spent up to now is 9.6 secs Computing kpt #: 24 total cpu time spent up to now is 10.1 secs Computing kpt #: 25 total cpu time spent up to now is 10.4 secs Computing kpt #: 26 total cpu time spent up to now is 10.8 secs Computing kpt #: 27 total cpu time spent up to now is 11.2 secs Computing kpt #: 28 total cpu time spent up to now is 11.6 secs Computing kpt #: 29 total cpu time spent up to now is 12.0 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 12.7 secs Computing kpt #: 32 total cpu time spent up to now is 13.0 secs Computing kpt #: 33 total cpu time spent up to now is 13.3 secs Computing kpt #: 34 total cpu time spent up to now is 13.7 secs Computing kpt #: 35 total cpu time spent up to now is 14.0 secs Computing kpt #: 36 total cpu time spent up to now is 14.3 secs Computing kpt #: 37 total cpu time spent up to now is 14.6 secs Computing kpt #: 38 total cpu time spent up to now is 14.9 secs Computing kpt #: 39 total cpu time spent up to now is 15.2 secs Computing kpt #: 40 total cpu time spent up to now is 15.5 secs Computing kpt #: 41 total cpu time spent up to now is 15.8 secs Computing kpt #: 42 total cpu time spent up to now is 16.1 secs Computing kpt #: 43 total cpu time spent up to now is 16.4 secs Computing kpt #: 44 total cpu time spent up to now is 16.7 secs Computing kpt #: 45 total cpu time spent up to now is 17.0 secs Computing kpt #: 46 total cpu time spent up to now is 17.3 secs Computing kpt #: 47 total cpu time spent up to now is 17.7 secs Computing kpt #: 48 total cpu time spent up to now is 18.0 secs Computing kpt #: 49 total cpu time spent up to now is 18.3 secs Computing kpt #: 50 total cpu time spent up to now is 18.6 secs Computing kpt #: 51 total cpu time spent up to now is 18.9 secs Computing kpt #: 52 total cpu time spent up to now is 19.2 secs Computing kpt #: 53 total cpu time spent up to now is 19.6 secs Computing kpt #: 54 total cpu time spent up to now is 19.9 secs Computing kpt #: 55 total cpu time spent up to now is 20.2 secs Computing kpt #: 56 total cpu time spent up to now is 20.5 secs Computing kpt #: 57 total cpu time spent up to now is 20.9 secs Computing kpt #: 58 total cpu time spent up to now is 21.2 secs Computing kpt #: 59 total cpu time spent up to now is 21.5 secs Computing kpt #: 60 total cpu time spent up to now is 21.8 secs Computing kpt #: 61 total cpu time spent up to now is 22.2 secs Computing kpt #: 62 total cpu time spent up to now is 22.5 secs Computing kpt #: 63 total cpu time spent up to now is 22.8 secs Computing kpt #: 64 total cpu time spent up to now is 23.2 secs Computing kpt #: 65 total cpu time spent up to now is 23.5 secs Computing kpt #: 66 total cpu time spent up to now is 23.8 secs Computing kpt #: 67 total cpu time spent up to now is 24.2 secs Computing kpt #: 68 total cpu time spent up to now is 24.5 secs Computing kpt #: 69 total cpu time spent up to now is 24.8 secs Computing kpt #: 70 total cpu time spent up to now is 25.1 secs Computing kpt #: 71 total cpu time spent up to now is 25.4 secs Computing kpt #: 72 total cpu time spent up to now is 25.8 secs Computing kpt #: 73 total cpu time spent up to now is 26.1 secs Computing kpt #: 74 total cpu time spent up to now is 26.4 secs Computing kpt #: 75 total cpu time spent up to now is 26.7 secs Computing kpt #: 76 total cpu time spent up to now is 27.0 secs Computing kpt #: 77 total cpu time spent up to now is 27.3 secs Computing kpt #: 78 total cpu time spent up to now is 27.6 secs Computing kpt #: 79 total cpu time spent up to now is 27.9 secs Computing kpt #: 80 total cpu time spent up to now is 28.2 secs Computing kpt #: 81 total cpu time spent up to now is 28.6 secs Computing kpt #: 82 total cpu time spent up to now is 28.9 secs Computing kpt #: 83 total cpu time spent up to now is 29.2 secs Computing kpt #: 84 total cpu time spent up to now is 29.5 secs Computing kpt #: 85 total cpu time spent up to now is 29.8 secs Computing kpt #: 86 total cpu time spent up to now is 30.1 secs Computing kpt #: 87 total cpu time spent up to now is 30.4 secs Computing kpt #: 88 total cpu time spent up to now is 30.7 secs Computing kpt #: 89 total cpu time spent up to now is 31.0 secs Computing kpt #: 90 total cpu time spent up to now is 31.3 secs Computing kpt #: 91 total cpu time spent up to now is 31.6 secs Computing kpt #: 92 total cpu time spent up to now is 31.9 secs Computing kpt #: 93 total cpu time spent up to now is 32.2 secs Computing kpt #: 94 total cpu time spent up to now is 32.6 secs Computing kpt #: 95 total cpu time spent up to now is 32.9 secs Computing kpt #: 96 total cpu time spent up to now is 33.2 secs Computing kpt #: 97 total cpu time spent up to now is 33.6 secs Computing kpt #: 98 total cpu time spent up to now is 33.9 secs Computing kpt #: 99 total cpu time spent up to now is 34.2 secs Computing kpt #: 100 total cpu time spent up to now is 34.6 secs Computing kpt #: 101 total cpu time spent up to now is 34.9 secs Computing kpt #: 102 total cpu time spent up to now is 35.3 secs Computing kpt #: 103 total cpu time spent up to now is 35.6 secs Computing kpt #: 104 total cpu time spent up to now is 36.0 secs Computing kpt #: 105 total cpu time spent up to now is 36.4 secs Computing kpt #: 106 total cpu time spent up to now is 36.8 secs Computing kpt #: 107 total cpu time spent up to now is 37.2 secs Computing kpt #: 108 total cpu time spent up to now is 37.6 secs Computing kpt #: 109 total cpu time spent up to now is 37.9 secs Computing kpt #: 110 total cpu time spent up to now is 38.3 secs Computing kpt #: 111 total cpu time spent up to now is 38.6 secs Computing kpt #: 112 total cpu time spent up to now is 39.0 secs Computing kpt #: 113 total cpu time spent up to now is 39.4 secs Computing kpt #: 114 total cpu time spent up to now is 39.7 secs Computing kpt #: 115 total cpu time spent up to now is 40.1 secs Computing kpt #: 116 total cpu time spent up to now is 40.5 secs Computing kpt #: 117 total cpu time spent up to now is 40.8 secs Computing kpt #: 118 total cpu time spent up to now is 41.2 secs Computing kpt #: 119 total cpu time spent up to now is 41.5 secs Computing kpt #: 120 total cpu time spent up to now is 41.9 secs Computing kpt #: 121 total cpu time spent up to now is 42.2 secs Computing kpt #: 122 total cpu time spent up to now is 42.6 secs Computing kpt #: 123 total cpu time spent up to now is 42.9 secs Computing kpt #: 124 total cpu time spent up to now is 43.3 secs Computing kpt #: 125 total cpu time spent up to now is 43.6 secs Computing kpt #: 126 total cpu time spent up to now is 44.0 secs Computing kpt #: 127 total cpu time spent up to now is 44.3 secs Computing kpt #: 128 total cpu time spent up to now is 44.6 secs Computing kpt #: 129 total cpu time spent up to now is 45.0 secs Computing kpt #: 130 total cpu time spent up to now is 45.3 secs Computing kpt #: 131 total cpu time spent up to now is 45.7 secs Computing kpt #: 132 total cpu time spent up to now is 46.0 secs Computing kpt #: 133 total cpu time spent up to now is 46.3 secs Computing kpt #: 134 total cpu time spent up to now is 46.6 secs Computing kpt #: 135 total cpu time spent up to now is 46.9 secs Computing kpt #: 136 total cpu time spent up to now is 47.3 secs Computing kpt #: 137 total cpu time spent up to now is 47.6 secs Computing kpt #: 138 total cpu time spent up to now is 47.9 secs Computing kpt #: 139 total cpu time spent up to now is 48.2 secs Computing kpt 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spent up to now is 53.1 secs Computing kpt #: 156 total cpu time spent up to now is 53.5 secs Computing kpt #: 157 total cpu time spent up to now is 53.8 secs Computing kpt #: 158 total cpu time spent up to now is 54.1 secs Computing kpt #: 159 total cpu time spent up to now is 54.4 secs Computing kpt #: 160 total cpu time spent up to now is 54.8 secs Computing kpt #: 161 total cpu time spent up to now is 55.1 secs Computing kpt #: 162 total cpu time spent up to now is 55.4 secs Computing kpt #: 163 total cpu time spent up to now is 55.8 secs Computing kpt #: 164 total cpu time spent up to now is 56.1 secs Computing kpt #: 165 total cpu time spent up to now is 56.4 secs Computing kpt #: 166 total cpu time spent up to now is 56.8 secs Computing kpt #: 167 total cpu time spent up to now is 57.1 secs Computing kpt #: 168 total cpu time spent up to now is 57.5 secs Computing kpt #: 169 total cpu time spent up to now is 57.8 secs Computing kpt #: 170 total cpu time spent up to now is 58.1 secs Computing kpt #: 171 total cpu time spent up to now is 58.5 secs Computing kpt #: 172 total cpu time spent up to now is 58.8 secs Computing kpt #: 173 total cpu time spent up to now is 59.1 secs Computing kpt #: 174 total cpu time spent up to now is 59.4 secs Computing kpt #: 175 total cpu time spent up to now is 59.8 secs Computing kpt #: 176 total cpu time spent up to now is 60.1 secs Computing kpt #: 177 total cpu time spent up to now is 60.4 secs Computing kpt #: 178 total cpu time spent up to now is 60.8 secs Computing kpt #: 179 total cpu time spent up to now is 61.1 secs Computing kpt #: 180 total cpu time spent up to now is 61.4 secs Computing kpt #: 181 total cpu time spent up to now is 61.8 secs Computing kpt #: 182 total cpu time spent up to now is 62.1 secs Computing kpt #: 183 total cpu time spent up to now is 62.4 secs Computing kpt #: 184 total cpu time spent up to now is 62.8 secs Computing kpt #: 185 total cpu time spent up to now is 63.1 secs Computing kpt #: 186 total cpu time spent up to now is 63.4 secs Computing kpt #: 187 total cpu time spent up to now is 63.8 secs Computing kpt #: 188 total cpu time spent up to now is 64.1 secs Computing kpt #: 189 total cpu time spent up to now is 64.5 secs Computing kpt #: 190 total cpu time spent up to now is 64.8 secs Computing kpt #: 191 total cpu time spent up to now is 65.1 secs Computing kpt #: 192 total cpu time spent up to now is 65.5 secs Computing kpt #: 193 total cpu time spent up to now is 65.8 secs Computing kpt #: 194 total cpu time spent up to now is 66.2 secs Computing kpt #: 195 total cpu time spent up to now is 66.5 secs Computing kpt #: 196 total cpu time spent up to now is 66.8 secs Computing kpt #: 197 total cpu time spent up to now is 67.1 secs Computing kpt #: 198 total cpu time spent up to now is 67.5 secs Computing kpt #: 199 total cpu time spent up to now is 67.8 secs Computing kpt #: 200 total cpu time spent up to now is 68.1 secs Computing kpt #: 201 total cpu time spent up to now is 68.4 secs Computing kpt #: 202 total cpu time spent up to now is 68.7 secs Computing kpt #: 203 total cpu time spent up to now is 69.1 secs Computing kpt #: 204 total cpu time spent up to now is 69.4 secs Computing kpt #: 205 total cpu time spent up to now is 69.7 secs Computing kpt #: 206 total cpu time spent up to now is 70.0 secs Computing kpt #: 207 total cpu time spent up to now is 70.3 secs Computing kpt #: 208 total cpu time spent up to now is 70.6 secs Computing kpt #: 209 total cpu time spent up to now is 70.9 secs Computing kpt #: 210 total cpu time spent up to now is 71.2 secs Computing kpt #: 211 total cpu time spent up to now is 71.5 secs Computing kpt #: 212 total cpu time spent up to now is 71.8 secs Computing kpt #: 213 total cpu time spent up to now is 72.1 secs Computing kpt #: 214 total cpu time spent up to now is 72.5 secs Computing kpt #: 215 total cpu time spent up to now is 72.8 secs Computing kpt #: 216 total cpu time spent up to now is 73.1 secs Computing kpt #: 217 total cpu time spent up to now is 73.4 secs Computing kpt #: 218 total cpu time spent up to now is 73.7 secs Computing kpt #: 219 total cpu time spent up to now is 74.0 secs Computing kpt #: 220 total cpu time spent up to now is 74.3 secs Computing kpt #: 221 total cpu time spent up to now is 74.6 secs Computing kpt #: 222 total cpu time spent up to now is 74.9 secs Computing kpt #: 223 total cpu time spent up to now is 75.2 secs Computing kpt #: 224 total cpu time spent up to now is 75.5 secs Computing kpt #: 225 total cpu time spent up to now is 75.9 secs Computing kpt #: 226 total cpu time spent up to now is 76.2 secs Computing kpt #: 227 total cpu time spent up to now is 76.5 secs Computing kpt #: 228 total cpu time spent up to now is 76.8 secs Computing kpt #: 229 total cpu time spent up to now is 77.2 secs Computing kpt #: 230 total cpu time spent up to now is 77.5 secs Computing kpt #: 231 total cpu time spent up to now is 77.8 secs Computing kpt #: 232 total cpu time spent up to now is 78.1 secs Computing kpt #: 233 total cpu time spent up to now is 78.5 secs Computing kpt #: 234 total cpu time spent up to now is 78.8 secs Computing kpt #: 235 total cpu time spent up to now is 79.2 secs Computing kpt #: 236 total cpu time spent up to now is 79.5 secs Computing kpt #: 237 total cpu time spent up to now is 79.8 secs Computing kpt #: 238 total cpu time spent up to now is 80.2 secs Computing kpt #: 239 total cpu time spent up to now is 80.5 secs Computing kpt #: 240 total cpu time spent up to now is 80.8 secs Computing kpt #: 241 total cpu time spent up to now is 81.2 secs Computing kpt #: 242 total cpu time spent up to now is 81.5 secs Computing kpt #: 243 total cpu time spent up to now is 81.9 secs Computing kpt #: 244 total cpu time spent up to now is 82.2 secs Computing kpt #: 245 total cpu time spent up to now is 82.6 secs Computing kpt #: 246 total cpu time spent up to now is 82.9 secs Computing kpt #: 247 total cpu time spent up to now is 83.3 secs Computing kpt #: 248 total cpu time spent up to now is 83.7 secs Computing kpt #: 249 total cpu time spent up to now is 84.1 secs Computing kpt #: 250 total cpu time spent up to now is 84.5 secs Computing kpt #: 251 total cpu time spent up to now is 84.9 secs Computing kpt #: 252 total cpu time spent up to now is 85.3 secs Computing kpt #: 253 total cpu time spent up to now is 85.6 secs Computing kpt #: 254 total cpu time spent up to now is 85.9 secs Computing kpt #: 255 total cpu time spent up to now is 86.3 secs Computing kpt #: 256 total cpu time spent up to now is 86.6 secs Computing kpt #: 257 total cpu time spent up to now is 86.9 secs Computing kpt #: 258 total cpu time spent up to now is 87.3 secs Computing kpt #: 259 total cpu time spent up to now is 87.6 secs Computing kpt #: 260 total cpu time spent up to now is 87.9 secs Computing kpt #: 261 total cpu time spent up to now is 88.2 secs Computing kpt #: 262 total cpu time spent up to now is 88.5 secs Computing kpt #: 263 total cpu time spent up to now is 88.8 secs Computing kpt #: 264 total cpu time spent up to now is 89.2 secs Computing kpt #: 265 total cpu time spent up to now is 89.5 secs Computing kpt #: 266 total cpu time spent up to now is 89.8 secs Computing kpt #: 267 total cpu time spent up to now is 90.1 secs Computing kpt #: 268 total cpu time spent up to now is 90.4 secs Computing kpt #: 269 total cpu time spent up to now is 90.7 secs Computing kpt #: 270 total cpu time spent up to now is 91.0 secs Computing kpt #: 271 total cpu time spent up to now is 91.3 secs Computing kpt #: 272 total cpu time spent up to now is 91.6 secs Computing kpt #: 273 total cpu time spent up to now is 91.9 secs Computing kpt #: 274 total cpu time spent up to now is 92.2 secs Computing kpt #: 275 total cpu time spent up to now is 92.5 secs Computing kpt #: 276 total cpu time spent up to now is 92.9 secs Computing kpt #: 277 total cpu time spent up to now is 93.2 secs Computing kpt #: 278 total cpu time spent up to now is 93.5 secs Computing kpt #: 279 total cpu time spent up to now is 93.8 secs Computing kpt #: 280 total cpu time spent up to now is 94.1 secs Computing kpt #: 281 total cpu time spent up to now is 94.4 secs Computing kpt #: 282 total cpu time spent up to now is 94.7 secs Computing kpt #: 283 total cpu time spent up to now is 95.1 secs Computing kpt #: 284 total cpu time spent up to now is 95.4 secs Computing kpt #: 285 total cpu time spent up to now is 95.8 secs Computing kpt #: 286 total cpu time spent up to now is 96.2 secs Computing kpt #: 287 total cpu time spent up to now is 96.7 secs Computing kpt #: 288 total cpu time spent up to now is 97.1 secs Computing kpt #: 289 total cpu time spent up to now is 97.5 secs Computing kpt #: 290 total cpu time spent up to now is 97.9 secs Computing kpt #: 291 total cpu time spent up to now is 98.4 secs Computing kpt #: 292 total cpu time spent up to now is 98.7 secs Computing kpt #: 293 total cpu time spent up to now is 99.1 secs Computing kpt #: 294 total cpu time spent up to now is 99.4 secs Computing kpt #: 295 total cpu time spent up to now is 99.7 secs Computing kpt #: 296 total cpu time spent up to now is 100.1 secs Computing kpt #: 297 total cpu time spent up to now is 100.4 secs Computing kpt #: 298 total cpu time spent up to now is 100.7 secs Computing kpt #: 299 total cpu time spent up to now is 101.0 secs Computing kpt #: 300 total cpu time spent up to now is 101.3 secs Computing kpt #: 301 total cpu time spent up to now is 101.6 secs Computing kpt #: 302 total cpu time spent up to now is 102.0 secs Computing kpt #: 303 total cpu time spent up to now is 102.3 secs Computing kpt #: 304 total cpu time spent up to now is 102.6 secs Computing kpt #: 305 total cpu time spent up to now is 102.9 secs Computing kpt #: 306 total cpu time spent up to now is 103.2 secs Computing kpt #: 307 total cpu time spent up to now is 103.5 secs Computing kpt #: 308 total cpu time spent up to now is 103.8 secs Computing kpt #: 309 total cpu time spent up to now is 104.1 secs Computing kpt #: 310 total cpu time spent up to now is 104.4 secs Computing kpt #: 311 total cpu time spent up to now is 104.7 secs Computing kpt #: 312 total cpu time spent up to now is 105.1 secs Computing kpt #: 313 total cpu time spent up to now is 105.4 secs ethr = 2.50E-08, avg # of iterations = 15.6 total cpu time spent up to now is 105.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3743 PWs) bands (ev): -46.8220 -46.8220 -42.2749 -42.2749 -24.4385 -24.4385 -22.3617 -22.3617 -22.3617 -22.3617 -14.3116 -14.3116 -14.1329 -14.1329 -14.1329 -14.1329 -9.7385 -9.7385 -9.2395 -9.2395 -9.2395 -9.2395 5.1017 5.1017 5.2983 5.2983 5.2983 5.2983 6.6011 6.6011 6.6011 6.6011 6.6175 6.6175 6.9641 6.9641 7.0870 7.0870 7.0870 7.0870 9.4886 9.4886 9.4886 9.4886 9.6041 9.6041 12.7741 12.7741 k = 0.0000 0.0122-0.0000 ( 3743 PWs) bands (ev): -46.8220 -46.8220 -42.2749 -42.2749 -24.4385 -24.4385 -22.3620 -22.3620 -22.3617 -22.3617 -14.3116 -14.3116 -14.1329 -14.1329 -14.1329 -14.1329 -9.7377 -9.7377 -9.2394 -9.2394 -9.2384 -9.2384 5.1006 5.1006 5.2965 5.2965 5.2979 5.2979 6.5986 6.5986 6.5998 6.5998 6.6158 6.6158 6.9611 6.9611 7.0818 7.0818 7.0860 7.0860 9.4906 9.4906 9.4943 9.4943 9.6079 9.6079 12.7771 12.7771 k = 0.0000 0.0244-0.0000 ( 3743 PWs) bands (ev): -46.8220 -46.8220 -42.2749 -42.2749 -24.4387 -24.4387 -22.3626 -22.3626 -22.3617 -22.3617 -14.3117 -14.3117 -14.1330 -14.1330 -14.1329 -14.1329 -9.7354 -9.7354 -9.2393 -9.2393 -9.2352 -9.2352 5.0975 5.0975 5.2913 5.2913 5.2968 5.2968 6.5912 6.5912 6.5952 6.5952 6.6111 6.6111 6.9516 6.9516 7.0671 7.0671 7.0830 7.0830 9.4956 9.4956 9.5111 9.5111 9.6199 9.6199 12.7860 12.7860 k = 0.0000 0.0366-0.0000 ( 3751 PWs) bands (ev): -46.8220 -46.8220 -42.2749 -42.2749 -24.4391 -24.4391 -22.3637 -22.3637 -22.3617 -22.3617 -14.3118 -14.3118 -14.1332 -14.1332 -14.1329 -14.1329 -9.7315 -9.7315 -9.2391 -9.2391 -9.2299 -9.2299 5.0920 5.0920 5.2828 5.2828 5.2950 5.2950 6.5788 6.5788 6.5855 6.5855 6.6053 6.6053 6.9334 6.9334 7.0459 7.0459 7.0784 7.0784 9.5022 9.5022 9.5388 9.5388 9.6413 9.6413 12.8008 12.8008 k = 0.0000 0.0488-0.0000 ( 3751 PWs) bands (ev): -46.8220 -46.8220 -42.2749 -42.2749 -24.4395 -24.4395 -22.3651 -22.3651 -22.3616 -22.3616 -14.3119 -14.3119 -14.1334 -14.1334 -14.1329 -14.1329 -9.7262 -9.7262 -9.2389 -9.2389 -9.2223 -9.2223 5.0837 5.0837 5.2713 5.2713 5.2925 5.2925 6.5614 6.5614 6.5698 6.5698 6.5996 6.5996 6.9031 6.9031 7.0231 7.0231 7.0725 7.0725 9.5088 9.5088 9.5768 9.5768 9.6732 9.6732 12.8212 12.8212 k = 0.0000 0.0610-0.0000 ( 3759 PWs) bands (ev): -46.8219 -46.8219 -42.2749 -42.2749 -24.4401 -24.4401 -22.3670 -22.3670 -22.3615 -22.3615 -14.3120 -14.3120 -14.1336 -14.1336 -14.1329 -14.1329 -9.7196 -9.7196 -9.2386 -9.2386 -9.2125 -9.2125 5.0718 5.0718 5.2574 5.2574 5.2892 5.2892 6.5391 6.5391 6.5486 6.5486 6.5935 6.5935 6.8579 6.8579 7.0031 7.0031 7.0658 7.0658 9.5145 9.5145 9.6244 9.6244 9.7158 9.7158 12.8471 12.8471 k = 0.0000 0.0732-0.0000 ( 3759 PWs) bands (ev): -46.8219 -46.8219 -42.2749 -42.2749 -24.4408 -24.4408 -22.3692 -22.3692 -22.3614 -22.3614 -14.3121 -14.3121 -14.1339 -14.1339 -14.1329 -14.1329 -9.7118 -9.7118 -9.2382 -9.2382 -9.2002 -9.2002 5.0556 5.0556 5.2417 5.2417 5.2851 5.2851 6.5121 6.5121 6.5226 6.5226 6.5868 6.5868 6.7987 6.7987 6.9872 6.9872 7.0587 7.0587 9.5193 9.5193 9.6808 9.6808 9.7683 9.7683 12.8783 12.8783 k = 0.0000 0.0854-0.0000 ( 3751 PWs) bands (ev): -46.8218 -46.8218 -42.2749 -42.2749 -24.4417 -24.4417 -22.3718 -22.3718 -22.3612 -22.3612 -14.3123 -14.3123 -14.1342 -14.1342 -14.1328 -14.1328 -9.7031 -9.7031 -9.2378 -9.2378 -9.1855 -9.1855 5.0338 5.0338 5.2251 5.2251 5.2801 5.2801 6.4807 6.4807 6.4925 6.4925 6.5792 6.5792 6.7282 6.7282 6.9745 6.9745 7.0516 7.0516 9.5233 9.5233 9.7452 9.7452 9.8298 9.8298 12.9144 12.9144 k = 0.0000 0.0976-0.0000 ( 3759 PWs) bands (ev): -46.8217 -46.8217 -42.2749 -42.2749 -24.4426 -24.4426 -22.3748 -22.3748 -22.3611 -22.3611 -14.3125 -14.3125 -14.1347 -14.1347 -14.1328 -14.1328 -9.6937 -9.6937 -9.2373 -9.2373 -9.1682 -9.1682 5.0051 5.0051 5.2085 5.2085 5.2743 5.2743 6.4455 6.4455 6.4589 6.4589 6.5707 6.5707 6.6494 6.6494 6.9640 6.9640 7.0448 7.0448 9.5269 9.5269 9.8168 9.8168 9.8992 9.8992 12.9554 12.9554 k = 0.0000 0.1098-0.0000 ( 3759 PWs) bands (ev): -46.8217 -46.8217 -42.2749 -42.2749 -24.4437 -24.4437 -22.3782 -22.3782 -22.3609 -22.3609 -14.3127 -14.3127 -14.1351 -14.1351 -14.1328 -14.1328 -9.6836 -9.6836 -9.2367 -9.2367 -9.1483 -9.1483 4.9686 4.9686 5.1926 5.1926 5.2675 5.2675 6.4070 6.4070 6.4223 6.4223 6.5613 6.5613 6.5648 6.5648 6.9554 6.9554 7.0385 7.0385 9.5301 9.5301 9.8947 9.8947 9.9754 9.9754 13.0009 13.0009 k = 0.0000 0.1220-0.0000 ( 3767 PWs) bands (ev): -46.8216 -46.8216 -42.2749 -42.2749 -24.4449 -24.4449 -22.3818 -22.3818 -22.3607 -22.3607 -14.3129 -14.3129 -14.1357 -14.1357 -14.1328 -14.1328 -9.6732 -9.6732 -9.2361 -9.2361 -9.1256 -9.1256 4.9235 4.9235 5.1776 5.1776 5.2597 5.2597 6.3658 6.3658 6.3835 6.3835 6.4766 6.4766 6.5511 6.5511 6.9481 6.9481 7.0328 7.0328 9.5332 9.5332 9.9782 9.9782 10.0576 10.0576 13.0508 13.0508 k = 0.0000 0.1341-0.0000 ( 3775 PWs) bands (ev): -46.8215 -46.8215 -42.2749 -42.2749 -24.4462 -24.4462 -22.3857 -22.3857 -22.3605 -22.3605 -14.3132 -14.3132 -14.1362 -14.1362 -14.1328 -14.1328 -9.6626 -9.6626 -9.2355 -9.2355 -9.1001 -9.1001 4.8694 4.8694 5.1635 5.1635 5.2509 5.2509 6.3223 6.3223 6.3430 6.3430 6.3871 6.3871 6.5401 6.5401 6.9419 6.9419 7.0276 7.0276 9.5363 9.5363 10.0664 10.0664 10.1447 10.1447 13.1049 13.1049 k = 0.0000 0.1463-0.0000 ( 3779 PWs) bands (ev): -46.8214 -46.8214 -42.2749 -42.2749 -24.4476 -24.4476 -22.3899 -22.3899 -22.3603 -22.3603 -14.3135 -14.3135 -14.1368 -14.1368 -14.1328 -14.1328 -9.6520 -9.6520 -9.2348 -9.2348 -9.0718 -9.0718 4.8064 4.8064 5.1501 5.1501 5.2409 5.2409 6.2753 6.2753 6.2999 6.2999 6.3016 6.3016 6.5285 6.5285 6.9367 6.9367 7.0231 7.0231 9.5393 9.5393 10.1586 10.1586 10.2362 10.2362 13.1631 13.1631 k = 0.0000 0.1585-0.0000 ( 3771 PWs) bands (ev): -46.8213 -46.8213 -42.2749 -42.2749 -24.4490 -24.4490 -22.3943 -22.3943 -22.3601 -22.3601 -14.3137 -14.3137 -14.1373 -14.1373 -14.1328 -14.1328 -9.6415 -9.6415 -9.2340 -9.2340 -9.0408 -9.0408 4.7346 4.7346 5.1371 5.1371 5.2298 5.2298 6.2046 6.2046 6.2374 6.2374 6.2599 6.2599 6.5162 6.5162 6.9323 6.9323 7.0191 7.0191 9.5424 9.5424 10.2542 10.2542 10.3313 10.3313 13.2252 13.2252 k = 0.0000 0.1707-0.0000 ( 3771 PWs) bands (ev): -46.8212 -46.8212 -42.2749 -42.2749 -24.4506 -24.4506 -22.3989 -22.3989 -22.3598 -22.3598 -14.3140 -14.3140 -14.1379 -14.1379 -14.1327 -14.1327 -9.6313 -9.6313 -9.2332 -9.2332 -9.0070 -9.0070 4.6541 4.6541 5.1241 5.1241 5.2174 5.2174 6.1206 6.1206 6.1910 6.1910 6.2184 6.2184 6.5033 6.5033 6.9286 6.9286 7.0156 7.0156 9.5455 9.5455 10.3527 10.3527 10.4293 10.4293 13.2909 13.2909 k = 0.0000 0.1829-0.0000 ( 3763 PWs) bands (ev): -46.8210 -46.8210 -42.2749 -42.2749 -24.4522 -24.4522 -22.4037 -22.4037 -22.3596 -22.3596 -14.3143 -14.3143 -14.1385 -14.1385 -14.1327 -14.1327 -9.6214 -9.6214 -9.2324 -9.2324 -8.9707 -8.9707 4.5655 4.5655 5.1109 5.1109 5.2038 5.2038 6.0392 6.0392 6.1462 6.1462 6.1777 6.1777 6.4899 6.4899 6.9255 6.9255 7.0126 7.0126 9.5486 9.5486 10.4533 10.4533 10.5296 10.5296 13.3602 13.3602 k = 0.0000 0.1951-0.0000 ( 3759 PWs) bands (ev): -46.8209 -46.8209 -42.2748 -42.2748 -24.4538 -24.4538 -22.4086 -22.4086 -22.3593 -22.3593 -14.3146 -14.3146 -14.1391 -14.1391 -14.1327 -14.1327 -9.6119 -9.6119 -9.2316 -9.2316 -8.9319 -8.9319 4.4694 4.4694 5.0972 5.0972 5.1889 5.1889 5.9620 5.9620 6.1026 6.1026 6.1381 6.1381 6.4762 6.4762 6.9229 6.9229 7.0101 7.0101 9.5518 9.5518 10.5555 10.5555 10.6316 10.6316 13.4329 13.4329 k = 0.0000 0.2073-0.0000 ( 3759 PWs) bands (ev): -46.8208 -46.8208 -42.2748 -42.2748 -24.4555 -24.4555 -22.4136 -22.4136 -22.3590 -22.3590 -14.3149 -14.3149 -14.1398 -14.1398 -14.1326 -14.1326 -9.6028 -9.6028 -9.2307 -9.2307 -8.8908 -8.8908 4.3666 4.3666 5.0830 5.0830 5.1727 5.1727 5.8895 5.8895 6.0604 6.0604 6.1001 6.1001 6.4621 6.4621 6.9207 6.9207 7.0078 7.0078 9.5550 9.5550 10.6589 10.6589 10.7349 10.7349 13.5087 13.5087 k = 0.0000 0.2195-0.0000 ( 3747 PWs) bands (ev): -46.8206 -46.8206 -42.2748 -42.2748 -24.4573 -24.4573 -22.4187 -22.4187 -22.3587 -22.3587 -14.3152 -14.3152 -14.1404 -14.1404 -14.1326 -14.1326 -9.5942 -9.5942 -9.2298 -9.2298 -8.8478 -8.8478 4.2580 4.2580 5.0682 5.0682 5.1553 5.1553 5.8219 5.8219 6.0199 6.0199 6.0639 6.0639 6.4478 6.4478 6.9188 6.9188 7.0059 7.0059 9.5583 9.5583 10.7629 10.7629 10.8389 10.8389 13.5876 13.5876 k = 0.0000 0.2317-0.0000 ( 3751 PWs) bands (ev): -46.8205 -46.8205 -42.2748 -42.2748 -24.4591 -24.4591 -22.4239 -22.4239 -22.3585 -22.3585 -14.3156 -14.3156 -14.1411 -14.1411 -14.1325 -14.1325 -9.5860 -9.5860 -9.2289 -9.2289 -8.8029 -8.8029 4.1448 4.1448 5.0526 5.0526 5.1367 5.1367 5.7589 5.7589 5.9813 5.9813 6.0298 6.0298 6.4333 6.4333 6.9172 6.9172 7.0042 7.0042 9.5616 9.5616 10.8671 10.8671 10.9430 10.9430 13.6693 13.6693 k = 0.0000 0.2439-0.0000 ( 3719 PWs) bands (ev): -46.8202 -46.8202 -42.2748 -42.2748 -24.4609 -24.4609 -22.4291 -22.4291 -22.3581 -22.3581 -14.3158 -14.3158 -14.1416 -14.1416 -14.1324 -14.1324 -9.5783 -9.5783 -9.2280 -9.2280 -8.7565 -8.7565 4.0282 4.0282 5.0364 5.0364 5.1170 5.1170 5.7005 5.7005 5.9448 5.9448 5.9979 5.9979 6.4188 6.4188 6.9159 6.9159 7.0029 7.0029 9.5649 9.5649 10.9709 10.9709 11.0470 11.0470 13.7537 13.7537 k = 0.0000 0.2561-0.0000 ( 3723 PWs) bands (ev): -46.8201 -46.8201 -42.2747 -42.2747 -24.4627 -24.4627 -22.4343 -22.4343 -22.3579 -22.3579 -14.3162 -14.3162 -14.1423 -14.1423 -14.1323 -14.1323 -9.5711 -9.5711 -9.2271 -9.2271 -8.7090 -8.7090 3.9091 3.9091 5.0194 5.0194 5.0963 5.0963 5.6464 5.6464 5.9106 5.9106 5.9683 5.9683 6.4043 6.4043 6.9147 6.9147 7.0016 7.0016 9.5682 9.5682 11.0740 11.0740 11.1502 11.1502 13.8406 13.8406 k = 0.0000 0.2683-0.0000 ( 3739 PWs) bands (ev): -46.8200 -46.8200 -42.2748 -42.2748 -24.4646 -24.4646 -22.4395 -22.4395 -22.3576 -22.3576 -14.3166 -14.3166 -14.1431 -14.1431 -14.1324 -14.1324 -9.5643 -9.5643 -9.2262 -9.2262 -8.6605 -8.6605 3.7888 3.7888 5.0018 5.0018 5.0747 5.0747 5.5962 5.5962 5.8787 5.8787 5.9410 5.9410 6.3898 6.3898 6.9138 6.9138 7.0006 7.0006 9.5714 9.5714 11.1758 11.1758 11.2522 11.2522 13.8865 13.8865 k = 0.0000 0.2805-0.0000 ( 3739 PWs) bands (ev): -46.8199 -46.8199 -42.2747 -42.2747 -24.4664 -24.4664 -22.4446 -22.4446 -22.3573 -22.3573 -14.3169 -14.3169 -14.1437 -14.1437 -14.1323 -14.1323 -9.5579 -9.5579 -9.2252 -9.2252 -8.6115 -8.6115 3.6684 3.6684 4.9837 4.9837 5.0526 5.0526 5.5496 5.5496 5.8493 5.8493 5.9161 5.9161 6.3756 6.3756 6.9129 6.9129 6.9997 6.9997 9.5747 9.5747 11.2760 11.2760 11.3525 11.3525 13.8872 13.8872 k = 0.0000 0.2927-0.0000 ( 3731 PWs) bands (ev): -46.8197 -46.8197 -42.2747 -42.2747 -24.4682 -24.4682 -22.4495 -22.4495 -22.3570 -22.3570 -14.3173 -14.3173 -14.1443 -14.1443 -14.1323 -14.1323 -9.5519 -9.5519 -9.2243 -9.2243 -8.5622 -8.5622 3.5489 3.5489 4.9652 4.9652 5.0301 5.0301 5.5064 5.5064 5.8222 5.8222 5.8934 5.8934 6.3617 6.3617 6.9122 6.9122 6.9989 6.9989 9.5778 9.5778 11.3741 11.3741 11.4508 11.4508 13.8878 13.8878 k = 0.0000 0.3049-0.0000 ( 3723 PWs) bands (ev): -46.8196 -46.8196 -42.2747 -42.2747 -24.4700 -24.4700 -22.4544 -22.4544 -22.3567 -22.3567 -14.3176 -14.3176 -14.1450 -14.1450 -14.1322 -14.1322 -9.5463 -9.5463 -9.2235 -9.2235 -8.5131 -8.5131 3.4312 3.4312 4.9465 4.9465 5.0074 5.0074 5.4664 5.4664 5.7976 5.7976 5.8730 5.8730 6.3481 6.3481 6.9117 6.9117 6.9983 6.9983 9.5809 9.5809 11.4696 11.4696 11.5466 11.5466 13.8885 13.8885 k = 0.0000 0.3171-0.0000 ( 3731 PWs) bands (ev): -46.8195 -46.8195 -42.2747 -42.2747 -24.4717 -24.4717 -22.4591 -22.4591 -22.3565 -22.3565 -14.3180 -14.3180 -14.1456 -14.1456 -14.1322 -14.1322 -9.5412 -9.5412 -9.2226 -9.2226 -8.4644 -8.4644 3.3162 3.3162 4.9277 4.9277 4.9847 4.9847 5.4293 5.4293 5.7752 5.7752 5.8546 5.8546 6.3348 6.3348 6.9112 6.9112 6.9977 6.9977 9.5840 9.5840 11.5622 11.5622 11.6394 11.6394 13.8891 13.8891 k = 0.0000 0.3293-0.0000 ( 3731 PWs) bands (ev): -46.8194 -46.8194 -42.2747 -42.2747 -24.4734 -24.4734 -22.4636 -22.4636 -22.3562 -22.3562 -14.3183 -14.3183 -14.1462 -14.1462 -14.1321 -14.1321 -9.5363 -9.5363 -9.2218 -9.2218 -8.4166 -8.4166 3.2047 3.2047 4.9090 4.9090 4.9623 4.9623 5.3951 5.3951 5.7550 5.7550 5.8382 5.8382 6.3221 6.3221 6.9108 6.9108 6.9973 6.9973 9.5869 9.5869 11.6513 11.6513 11.7288 11.7288 13.8897 13.8897 k = 0.0000 0.3415-0.0000 ( 3727 PWs) bands (ev): -46.8192 -46.8192 -42.2747 -42.2747 -24.4750 -24.4750 -22.4679 -22.4679 -22.3560 -22.3560 -14.3186 -14.3186 -14.1468 -14.1468 -14.1321 -14.1321 -9.5319 -9.5319 -9.2210 -9.2210 -8.3700 -8.3700 3.0975 3.0975 4.8906 4.8906 4.9405 4.9405 5.3635 5.3635 5.7369 5.7369 5.8235 5.8235 6.3100 6.3100 6.9105 6.9105 6.9969 6.9969 9.5897 9.5897 11.7366 11.7366 11.8143 11.8143 13.8903 13.8903 k = 0.0000 0.3537-0.0000 ( 3719 PWs) bands (ev): -46.8191 -46.8191 -42.2747 -42.2747 -24.4766 -24.4766 -22.4720 -22.4720 -22.3557 -22.3557 -14.3189 -14.3189 -14.1472 -14.1472 -14.1321 -14.1321 -9.5277 -9.5277 -9.2203 -9.2203 -8.3249 -8.3249 2.9954 2.9954 4.8727 4.8727 4.9194 4.9194 5.3344 5.3344 5.7207 5.7207 5.8106 5.8106 6.2986 6.2986 6.9102 6.9102 6.9966 6.9966 9.5923 9.5923 11.8177 11.8177 11.8956 11.8956 13.8909 13.8909 k = 0.0000 0.3659-0.0000 ( 3719 PWs) bands (ev): -46.8190 -46.8190 -42.2746 -42.2746 -24.4780 -24.4780 -22.4759 -22.4759 -22.3555 -22.3555 -14.3192 -14.3192 -14.1477 -14.1477 -14.1320 -14.1320 -9.5240 -9.5240 -9.2195 -9.2195 -8.2818 -8.2818 2.8988 2.8988 4.8555 4.8555 4.8993 4.8993 5.3078 5.3078 5.7064 5.7064 5.7991 5.7991 6.2877 6.2877 6.9100 6.9100 6.9963 6.9963 9.5948 9.5948 11.8941 11.8941 11.9722 11.9722 13.8914 13.8914 k = 0.0000 0.3780-0.0000 ( 3723 PWs) bands (ev): -46.8189 -46.8189 -42.2746 -42.2746 -24.4794 -24.4794 -22.4795 -22.4795 -22.3553 -22.3553 -14.3195 -14.3195 -14.1482 -14.1482 -14.1320 -14.1320 -9.5205 -9.5205 -9.2189 -9.2189 -8.2410 -8.2410 2.8085 2.8085 4.8392 4.8392 4.8803 4.8803 5.2836 5.2836 5.6938 5.6938 5.7891 5.7891 6.2777 6.2777 6.9098 6.9098 6.9960 6.9960 9.5972 9.5972 11.9655 11.9655 12.0438 12.0438 13.8919 13.8919 k = 0.0000 0.3902-0.0000 ( 3720 PWs) bands (ev): -46.8188 -46.8188 -42.2746 -42.2746 -24.4807 -24.4807 -22.4827 -22.4827 -22.3551 -22.3551 -14.3197 -14.3197 -14.1486 -14.1486 -14.1319 -14.1319 -9.5174 -9.5174 -9.2183 -9.2183 -8.2029 -8.2029 2.7251 2.7251 4.8239 4.8239 4.8626 4.8626 5.2618 5.2618 5.6827 5.6827 5.7804 5.7804 6.2684 6.2684 6.9097 6.9097 6.9959 6.9959 9.5994 9.5994 12.0314 12.0314 12.1099 12.1099 13.8924 13.8924 k = 0.0000 0.4024-0.0000 ( 3728 PWs) bands (ev): -46.8188 -46.8188 -42.2746 -42.2746 -24.4818 -24.4818 -22.4857 -22.4857 -22.3549 -22.3549 -14.3200 -14.3200 -14.1491 -14.1491 -14.1320 -14.1320 -9.5147 -9.5147 -9.2177 -9.2177 -8.1677 -8.1677 2.6490 2.6490 4.8098 4.8098 4.8464 4.8464 5.2424 5.2424 5.6731 5.6731 5.7728 5.7728 6.2600 6.2600 6.9095 6.9095 6.9957 6.9957 9.6013 9.6013 12.0914 12.0914 12.1701 12.1701 13.8928 13.8928 k = 0.0000 0.4146-0.0000 ( 3720 PWs) bands (ev): -46.8187 -46.8187 -42.2746 -42.2746 -24.4828 -24.4828 -22.4884 -22.4884 -22.3548 -22.3548 -14.3202 -14.3202 -14.1494 -14.1494 -14.1319 -14.1319 -9.5122 -9.5122 -9.2172 -9.2172 -8.1358 -8.1358 2.5807 2.5807 4.7970 4.7970 4.8318 4.8318 5.2253 5.2253 5.6649 5.6649 5.7664 5.7664 6.2524 6.2524 6.9094 6.9094 6.9956 6.9956 9.6031 9.6031 12.1453 12.1453 12.2242 12.2242 13.8932 13.8932 k = 0.0000 0.4268-0.0000 ( 3720 PWs) bands (ev): -46.8186 -46.8186 -42.2746 -42.2746 -24.4838 -24.4838 -22.4908 -22.4908 -22.3547 -22.3547 -14.3204 -14.3204 -14.1497 -14.1497 -14.1319 -14.1319 -9.5101 -9.5101 -9.2168 -9.2168 -8.1076 -8.1076 2.5206 2.5206 4.7857 4.7857 4.8189 4.8189 5.2105 5.2105 5.6580 5.6580 5.7609 5.7609 6.2458 6.2458 6.9094 6.9094 6.9955 6.9955 9.6047 9.6047 12.1928 12.1928 12.2717 12.2717 13.8936 13.8936 k = 0.0000 0.4390-0.0000 ( 3732 PWs) bands (ev): -46.8186 -46.8186 -42.2746 -42.2746 -24.4846 -24.4846 -22.4928 -22.4928 -22.3546 -22.3546 -14.3206 -14.3206 -14.1500 -14.1500 -14.1319 -14.1319 -9.5083 -9.5083 -9.2164 -9.2164 -8.0832 -8.0832 2.4690 2.4690 4.7759 4.7759 4.8078 4.8078 5.1980 5.1980 5.6522 5.6522 5.7564 5.7564 6.2401 6.2401 6.9092 6.9092 6.9953 6.9953 9.6060 9.6060 12.2334 12.2334 12.3125 12.3125 13.8939 13.8939 k = 0.0000 0.4512-0.0000 ( 3724 PWs) bands (ev): -46.8185 -46.8185 -42.2746 -42.2746 -24.4852 -24.4852 -22.4944 -22.4944 -22.3545 -22.3545 -14.3207 -14.3207 -14.1502 -14.1502 -14.1319 -14.1319 -9.5068 -9.5068 -9.2161 -9.2161 -8.0628 -8.0628 2.4265 2.4265 4.7678 4.7678 4.7986 4.7986 5.1877 5.1877 5.6476 5.6476 5.7529 5.7529 6.2355 6.2355 6.9092 6.9092 6.9953 6.9953 9.6071 9.6071 12.2670 12.2670 12.3462 12.3462 13.8941 13.8941 k = 0.0000 0.4634-0.0000 ( 3724 PWs) bands (ev): -46.8185 -46.8185 -42.2746 -42.2746 -24.4857 -24.4857 -22.4957 -22.4957 -22.3544 -22.3544 -14.3208 -14.3208 -14.1503 -14.1503 -14.1319 -14.1319 -9.5057 -9.5057 -9.2158 -9.2158 -8.0468 -8.0468 2.3930 2.3930 4.7614 4.7614 4.7914 4.7914 5.1798 5.1798 5.6441 5.6441 5.7501 5.7501 6.2319 6.2319 6.9092 6.9092 6.9952 6.9952 9.6080 9.6080 12.2934 12.2934 12.3726 12.3726 13.8943 13.8943 k = 0.0000 0.4756-0.0000 ( 3732 PWs) bands (ev): -46.8185 -46.8185 -42.2746 -42.2746 -24.4861 -24.4861 -22.4966 -22.4966 -22.3543 -22.3543 -14.3209 -14.3209 -14.1505 -14.1505 -14.1319 -14.1319 -9.5049 -9.5049 -9.2157 -9.2157 -8.0353 -8.0353 2.3690 2.3690 4.7568 4.7568 4.7863 4.7863 5.1741 5.1741 5.6416 5.6416 5.7482 5.7482 6.2292 6.2292 6.9091 6.9091 6.9951 6.9951 9.6086 9.6086 12.3124 12.3124 12.3916 12.3916 13.8945 13.8945 k = 0.0000 0.4878-0.0000 ( 3760 PWs) bands (ev): -46.8185 -46.8185 -42.2746 -42.2746 -24.4863 -24.4863 -22.4972 -22.4972 -22.3543 -22.3543 -14.3211 -14.3211 -14.1507 -14.1507 -14.1320 -14.1320 -9.5044 -9.5044 -9.2156 -9.2156 -8.0283 -8.0283 2.3545 2.3545 4.7540 4.7540 4.7831 4.7831 5.1706 5.1706 5.6401 5.6401 5.7470 5.7470 6.2277 6.2277 6.9090 6.9090 6.9950 6.9950 9.6089 9.6089 12.3238 12.3238 12.4031 12.4031 13.8945 13.8945 k = 0.0000 0.5000-0.0000 ( 3764 PWs) bands (ev): -46.8185 -46.8185 -42.2746 -42.2746 -24.4864 -24.4864 -22.4974 -22.4974 -22.3543 -22.3543 -14.3211 -14.3211 -14.1507 -14.1507 -14.1320 -14.1320 -9.5043 -9.5043 -9.2155 -9.2155 -8.0260 -8.0260 2.3496 2.3496 4.7531 4.7531 4.7821 4.7821 5.1694 5.1694 5.6396 5.6396 5.7466 5.7466 6.2271 6.2271 6.9090 6.9090 6.9950 6.9950 9.6091 9.6091 12.3276 12.3276 12.4069 12.4069 13.8946 13.8946 k = 0.0000 0.5000-0.0000 ( 3764 PWs) bands (ev): -46.8185 -46.8185 -42.2746 -42.2746 -24.4864 -24.4864 -22.4974 -22.4974 -22.3543 -22.3543 -14.3211 -14.3211 -14.1507 -14.1507 -14.1320 -14.1320 -9.5043 -9.5043 -9.2155 -9.2155 -8.0260 -8.0260 2.3496 2.3496 4.7531 4.7531 4.7821 4.7821 5.1694 5.1694 5.6396 5.6396 5.7466 5.7466 6.2271 6.2271 6.9090 6.9090 6.9950 6.9950 9.6091 9.6091 12.3276 12.3276 12.4069 12.4069 13.8946 13.8946 k = 0.0122 0.5000-0.0000 ( 3760 PWs) bands (ev): -46.8185 -46.8185 -42.2746 -42.2746 -24.4865 -24.4865 -22.4975 -22.4975 -22.3544 -22.3544 -14.3211 -14.3211 -14.1507 -14.1507 -14.1320 -14.1320 -9.5033 -9.5033 -9.2147 -9.2147 -8.0259 -8.0259 2.3496 2.3496 4.7438 4.7438 4.7761 4.7761 5.1819 5.1819 5.6376 5.6376 5.7446 5.7446 6.2303 6.2303 6.9051 6.9051 6.9909 6.9909 9.6145 9.6145 12.3281 12.3281 12.4074 12.4074 13.9003 13.9003 k = 0.0244 0.5000-0.0000 ( 3742 PWs) bands (ev): -46.8184 -46.8184 -42.2746 -42.2746 -24.4866 -24.4866 -22.4976 -22.4976 -22.3549 -22.3549 -14.3210 -14.3210 -14.1506 -14.1506 -14.1319 -14.1319 -9.5004 -9.5004 -9.2123 -9.2123 -8.0257 -8.0257 2.3496 2.3496 4.7082 4.7082 4.7709 4.7709 5.2146 5.2146 5.6315 5.6315 5.7387 5.7387 6.2399 6.2399 6.8932 6.8932 6.9789 6.9789 9.6305 9.6305 12.3296 12.3296 12.4091 12.4091 13.9173 13.9173 k = 0.0366 0.5000-0.0000 ( 3730 PWs) bands (ev): -46.8184 -46.8184 -42.2746 -42.2746 -24.4869 -24.4869 -22.4978 -22.4978 -22.3557 -22.3557 -14.3209 -14.3209 -14.1505 -14.1505 -14.1319 -14.1319 -9.4957 -9.4957 -9.2082 -9.2082 -8.0253 -8.0253 2.3495 2.3495 4.6524 4.6524 4.7695 4.7695 5.2582 5.2582 5.6209 5.6209 5.7289 5.7289 6.2559 6.2559 6.8728 6.8728 6.9604 6.9604 9.6569 9.6569 12.3320 12.3320 12.4119 12.4119 13.9451 13.9451 k = 0.0488 0.5000-0.0000 ( 3732 PWs) bands (ev): -46.8184 -46.8184 -42.2746 -42.2746 -24.4874 -24.4874 -22.4982 -22.4982 -22.3567 -22.3567 -14.3209 -14.3209 -14.1505 -14.1505 -14.1320 -14.1320 -9.4895 -9.4895 -9.2023 -9.2023 -8.0248 -8.0248 2.3494 2.3494 4.5858 4.5858 4.7692 4.7692 5.3056 5.3056 5.6053 5.6053 5.7156 5.7156 6.2783 6.2783 6.8435 6.8435 6.9371 6.9371 9.6932 9.6932 12.3351 12.3351 12.4160 12.4160 13.9829 13.9829 k = 0.0610 0.5000-0.0000 ( 3732 PWs) bands (ev): -46.8183 -46.8183 -42.2746 -42.2746 -24.4879 -24.4879 -22.4987 -22.4987 -22.3581 -22.3581 -14.3209 -14.3209 -14.1504 -14.1504 -14.1321 -14.1321 -9.4818 -9.4818 -9.1943 -9.1943 -8.0241 -8.0241 2.3492 2.3492 4.5132 4.5132 4.7693 4.7693 5.3527 5.3527 5.5838 5.5838 5.6994 5.6994 6.3072 6.3072 6.8053 6.8053 6.9109 6.9109 9.7388 9.7388 12.3388 12.3388 12.4218 12.4218 14.0297 14.0297 k = 0.0732 0.5000-0.0000 ( 3732 PWs) bands (ev): -46.8183 -46.8183 -42.2746 -42.2746 -24.4886 -24.4886 -22.4992 -22.4992 -22.3597 -22.3597 -14.3209 -14.3209 -14.1503 -14.1503 -14.1322 -14.1322 -9.4730 -9.4730 -9.1841 -9.1841 -8.0233 -8.0233 2.3489 2.3489 4.4373 4.4373 4.7697 4.7697 5.3966 5.3966 5.5558 5.5558 5.6807 5.6807 6.3424 6.3424 6.7592 6.7592 6.8831 6.8831 9.7930 9.7930 12.3427 12.3427 12.4295 12.4295 14.0843 14.0843 k = 0.0854 0.5000-0.0000 ( 3728 PWs) bands (ev): -46.8182 -46.8182 -42.2746 -42.2746 -24.4893 -24.4893 -22.4999 -22.4999 -22.3615 -22.3615 -14.3208 -14.3208 -14.1502 -14.1502 -14.1323 -14.1323 -9.4635 -9.4635 -9.1714 -9.1714 -8.0224 -8.0224 2.3486 2.3486 4.3593 4.3593 4.7702 4.7702 5.4338 5.4338 5.5228 5.5228 5.6601 5.6601 6.3836 6.3836 6.7071 6.7071 6.8542 6.8542 9.8550 9.8550 12.3467 12.3467 12.4394 12.4394 14.1453 14.1453 k = 0.0976 0.5000-0.0000 ( 3722 PWs) bands (ev): -46.8181 -46.8181 -42.2746 -42.2746 -24.4902 -24.4902 -22.5007 -22.5007 -22.3636 -22.3636 -14.3208 -14.3208 -14.1501 -14.1501 -14.1324 -14.1324 -9.4536 -9.4536 -9.1559 -9.1559 -8.0213 -8.0213 2.3483 2.3483 4.2805 4.2805 4.7708 4.7708 5.4442 5.4442 5.5030 5.5030 5.6380 5.6380 6.4303 6.4303 6.6511 6.6511 6.8247 6.8247 9.9241 9.9241 12.3506 12.3506 12.4517 12.4517 14.2113 14.2113 k = 0.1098 0.5000-0.0000 ( 3710 PWs) bands (ev): -46.8180 -46.8180 -42.2745 -42.2745 -24.4912 -24.4912 -22.5016 -22.5016 -22.3659 -22.3659 -14.3207 -14.3207 -14.1499 -14.1499 -14.1325 -14.1325 -9.4437 -9.4437 -9.1373 -9.1373 -8.0201 -8.0201 2.3478 2.3478 4.2013 4.2013 4.7715 4.7715 5.4009 5.4009 5.5226 5.5226 5.6146 5.6146 6.4819 6.4819 6.5931 6.5931 6.7950 6.7950 9.9995 9.9995 12.3542 12.3542 12.4666 12.4666 14.2807 14.2807 k = 0.1220 0.5000-0.0000 ( 3704 PWs) bands (ev): -46.8179 -46.8179 -42.2745 -42.2745 -24.4923 -24.4923 -22.5027 -22.5027 -22.3683 -22.3683 -14.3206 -14.3206 -14.1498 -14.1498 -14.1327 -14.1327 -9.4340 -9.4340 -9.1155 -9.1155 -8.0188 -8.0188 2.3472 2.3472 4.1223 4.1223 4.7723 4.7723 5.3362 5.3362 5.5483 5.5483 5.5907 5.5907 6.5351 6.5351 6.5375 6.5375 6.7654 6.7654 10.0804 10.0804 12.3575 12.3575 12.4842 12.4842 14.3522 14.3522 k = 0.1341 0.5000-0.0000 ( 3708 PWs) bands (ev): -46.8178 -46.8178 -42.2745 -42.2745 -24.4934 -24.4934 -22.5039 -22.5039 -22.3709 -22.3709 -14.3206 -14.3206 -14.1497 -14.1497 -14.1329 -14.1329 -9.4249 -9.4249 -9.0903 -9.0903 -8.0174 -8.0174 2.3465 2.3465 4.0439 4.0439 4.7732 4.7732 5.2593 5.2593 5.5566 5.5566 5.5810 5.5810 6.4787 6.4787 6.5962 6.5962 6.7364 6.7364 10.1661 10.1661 12.3605 12.3605 12.5047 12.5047 14.4245 14.4245 k = 0.1463 0.5000-0.0000 ( 3708 PWs) bands (ev): -46.8177 -46.8177 -42.2745 -42.2745 -24.4947 -24.4947 -22.5053 -22.5053 -22.3736 -22.3736 -14.3206 -14.3206 -14.1496 -14.1496 -14.1331 -14.1331 -9.4165 -9.4165 -9.0618 -9.0618 -8.0158 -8.0158 2.3457 2.3457 3.9665 3.9665 4.7741 4.7741 5.1719 5.1719 5.5317 5.5317 5.6003 5.6003 6.4246 6.4246 6.6569 6.6569 6.7088 6.7088 10.2560 10.2560 12.3632 12.3632 12.5280 12.5280 14.4963 14.4963 k = 0.1585 0.5000-0.0000 ( 3712 PWs) bands (ev): -46.8176 -46.8176 -42.2745 -42.2745 -24.4960 -24.4960 -22.5068 -22.5068 -22.3763 -22.3763 -14.3205 -14.3205 -14.1494 -14.1494 -14.1333 -14.1333 -9.4088 -9.4088 -9.0299 -9.0299 -8.0142 -8.0142 2.3447 2.3447 3.8902 3.8902 4.7751 4.7751 5.0749 5.0749 5.5024 5.5024 5.6200 5.6200 6.3738 6.3738 6.6793 6.6793 6.7221 6.7221 10.3493 10.3493 12.3657 12.3657 12.5540 12.5540 14.5667 14.5667 k = 0.1707 0.5000-0.0000 ( 3712 PWs) bands (ev): -46.8175 -46.8175 -42.2745 -42.2745 -24.4975 -24.4975 -22.5084 -22.5084 -22.3791 -22.3791 -14.3205 -14.3205 -14.1493 -14.1493 -14.1335 -14.1335 -9.4019 -9.4019 -8.9949 -8.9949 -8.0124 -8.0124 2.3434 2.3434 3.8152 3.8152 4.7761 4.7761 4.9696 4.9696 5.4712 5.4712 5.6378 5.6378 6.3264 6.3264 6.6544 6.6544 6.7851 6.7851 10.4455 10.4455 12.3679 12.3679 12.5829 12.5829 14.6349 14.6349 k = 0.1829 0.5000-0.0000 ( 3724 PWs) bands (ev): -46.8174 -46.8174 -42.2745 -42.2745 -24.4989 -24.4989 -22.5103 -22.5103 -22.3820 -22.3820 -14.3205 -14.3205 -14.1492 -14.1492 -14.1337 -14.1337 -9.3958 -9.3958 -8.9570 -8.9570 -8.0106 -8.0106 2.3420 2.3420 3.7419 3.7419 4.7772 4.7772 4.8571 4.8571 5.4387 5.4387 5.6539 5.6539 6.2825 6.2825 6.6303 6.6303 6.8490 6.8490 10.5440 10.5440 12.3701 12.3701 12.6145 12.6145 14.7002 14.7002 k = 0.1951 0.5000-0.0000 ( 3724 PWs) bands (ev): -46.8173 -46.8173 -42.2745 -42.2745 -24.5005 -24.5005 -22.5123 -22.5123 -22.3848 -22.3848 -14.3205 -14.3205 -14.1491 -14.1491 -14.1339 -14.1339 -9.3905 -9.3905 -8.9164 -8.9164 -8.0087 -8.0087 2.3403 2.3403 3.6703 3.6703 4.7386 4.7386 4.7785 4.7785 5.4049 5.4049 5.6684 5.6684 6.2419 6.2419 6.6077 6.6077 6.9126 6.9126 10.6443 10.6443 12.3721 12.3721 12.6487 12.6487 14.7623 14.7623 k = 0.2073 0.5000-0.0000 ( 3728 PWs) bands (ev): -46.8172 -46.8172 -42.2745 -42.2745 -24.5021 -24.5021 -22.5144 -22.5144 -22.3875 -22.3875 -14.3205 -14.3205 -14.1490 -14.1490 -14.1341 -14.1341 -9.3857 -9.3857 -8.8734 -8.8734 -8.0067 -8.0067 2.3382 2.3382 3.6006 3.6006 4.6157 4.6157 4.7796 4.7796 5.3702 5.3702 5.6816 5.6816 6.2044 6.2044 6.5867 6.5867 6.9754 6.9754 10.7458 10.7458 12.3740 12.3740 12.6856 12.6856 14.8209 14.8209 k = 0.2195 0.5000-0.0000 ( 3728 PWs) bands (ev): -46.8170 -46.8170 -42.2745 -42.2745 -24.5037 -24.5037 -22.5167 -22.5167 -22.3902 -22.3902 -14.3204 -14.3204 -14.1489 -14.1489 -14.1343 -14.1343 -9.3816 -9.3816 -8.8284 -8.8284 -8.0046 -8.0046 2.3358 2.3358 3.5329 3.5329 4.4896 4.4896 4.7808 4.7808 5.3348 5.3348 5.6936 5.6936 6.1696 6.1696 6.5674 6.5674 7.0369 7.0369 10.8481 10.8481 12.3758 12.3758 12.7251 12.7251 14.8759 14.8759 k = 0.2317 0.5000-0.0000 ( 3728 PWs) bands (ev): -46.8169 -46.8169 -42.2744 -42.2744 -24.5054 -24.5054 -22.5191 -22.5191 -22.3928 -22.3928 -14.3204 -14.3204 -14.1487 -14.1487 -14.1344 -14.1344 -9.3779 -9.3779 -8.7816 -8.7816 -8.0024 -8.0024 2.3329 2.3329 3.4675 3.4675 4.3614 4.3614 4.7820 4.7820 5.2989 5.2989 5.7047 5.7047 6.1374 6.1374 6.5496 6.5496 7.0967 7.0967 10.9506 10.9506 12.3776 12.3776 12.7669 12.7669 14.9274 14.9274 k = 0.2439 0.5000-0.0000 ( 3728 PWs) bands (ev): -46.8168 -46.8168 -42.2744 -42.2744 -24.5070 -24.5070 -22.5217 -22.5217 -22.3952 -22.3952 -14.3204 -14.3204 -14.1486 -14.1486 -14.1346 -14.1346 -9.3746 -9.3746 -8.7334 -8.7334 -8.0002 -8.0002 2.3296 2.3296 3.4042 3.4042 4.2325 4.2325 4.7832 4.7832 5.2629 5.2629 5.7149 5.7149 6.1073 6.1073 6.5334 6.5334 7.1546 7.1546 11.0529 11.0529 12.3793 12.3793 12.8109 12.8109 14.9752 14.9752 k = 0.2561 0.5000-0.0000 ( 3728 PWs) bands (ev): -46.8166 -46.8166 -42.2744 -42.2744 -24.5087 -24.5087 -22.5244 -22.5244 -22.3976 -22.3976 -14.3203 -14.3203 -14.1486 -14.1486 -14.1348 -14.1348 -9.3718 -9.3718 -8.6841 -8.6841 -7.9979 -7.9979 2.3256 2.3256 3.3434 3.3434 4.1038 4.1038 4.7844 4.7844 5.2270 5.2270 5.7243 5.7243 6.0792 6.0792 6.5187 6.5187 7.2102 7.2102 11.1546 11.1546 12.3810 12.3810 12.8570 12.8570 15.0197 15.0197 k = 0.2683 0.5000-0.0000 ( 3724 PWs) bands (ev): -46.8165 -46.8165 -42.2744 -42.2744 -24.5104 -24.5104 -22.5272 -22.5272 -22.3998 -22.3998 -14.3203 -14.3203 -14.1485 -14.1485 -14.1349 -14.1349 -9.3692 -9.3692 -8.6341 -8.6341 -7.9955 -7.9955 2.3209 2.3209 3.2850 3.2850 3.9766 3.9766 4.7857 4.7857 5.1913 5.1913 5.7331 5.7331 6.0529 6.0529 6.5053 6.5053 7.2634 7.2634 11.2550 11.2550 12.3826 12.3826 12.9049 12.9049 15.0609 15.0609 k = 0.2805 0.5000-0.0000 ( 3732 PWs) bands (ev): -46.8164 -46.8164 -42.2744 -42.2744 -24.5121 -24.5121 -22.5301 -22.5301 -22.4018 -22.4018 -14.3203 -14.3203 -14.1484 -14.1484 -14.1350 -14.1350 -9.3670 -9.3670 -8.5838 -8.5838 -7.9930 -7.9930 2.3154 2.3154 3.2291 3.2291 3.8516 3.8516 4.7869 4.7869 5.1562 5.1562 5.7413 5.7413 6.0283 6.0283 6.4932 6.4932 7.3140 7.3140 11.3540 11.3540 12.3842 12.3842 12.9543 12.9543 15.0990 15.0990 k = 0.2927 0.5000-0.0000 ( 3726 PWs) bands (ev): -46.8162 -46.8162 -42.2744 -42.2744 -24.5138 -24.5138 -22.5330 -22.5330 -22.4037 -22.4037 -14.3203 -14.3203 -14.1484 -14.1484 -14.1351 -14.1351 -9.3649 -9.3649 -8.5335 -8.5335 -7.9905 -7.9905 2.3088 2.3088 3.1759 3.1759 3.7301 3.7301 4.7881 4.7881 5.1219 5.1219 5.7489 5.7489 6.0052 6.0052 6.4823 6.4823 7.3618 7.3618 11.4509 11.4509 12.3858 12.3858 13.0049 13.0049 15.1342 15.1342 k = 0.3049 0.5000-0.0000 ( 3722 PWs) bands (ev): -46.8161 -46.8161 -42.2744 -42.2744 -24.5154 -24.5154 -22.5360 -22.5360 -22.4055 -22.4055 -14.3203 -14.3203 -14.1483 -14.1483 -14.1352 -14.1352 -9.3631 -9.3631 -8.4835 -8.4835 -7.9878 -7.9878 2.3011 2.3011 3.1253 3.1253 3.6128 3.6128 4.7893 4.7893 5.0886 5.0886 5.7560 5.7560 5.9835 5.9835 6.4724 6.4724 7.4069 7.4069 11.5453 11.5453 12.3874 12.3874 13.0564 13.0564 15.1666 15.1666 k = 0.3171 0.5000-0.0000 ( 3718 PWs) bands (ev): -46.8159 -46.8159 -42.2743 -42.2743 -24.5170 -24.5170 -22.5389 -22.5389 -22.4070 -22.4070 -14.3202 -14.3202 -14.1483 -14.1483 -14.1352 -14.1352 -9.3615 -9.3615 -8.4343 -8.4343 -7.9850 -7.9850 2.2920 2.2920 3.0776 3.0776 3.5006 3.5006 4.7904 4.7904 5.0565 5.0565 5.7626 5.7626 5.9633 5.9633 6.4636 6.4636 7.4491 7.4491 11.6368 11.6368 12.3889 12.3889 13.1083 13.1083 15.1963 15.1963 k = 0.3293 0.5000-0.0000 ( 3722 PWs) bands (ev): -46.8158 -46.8158 -42.2743 -42.2743 -24.5185 -24.5185 -22.5418 -22.5418 -22.4085 -22.4085 -14.3203 -14.3203 -14.1483 -14.1483 -14.1353 -14.1353 -9.3600 -9.3600 -8.3863 -8.3863 -7.9821 -7.9821 2.2814 2.2814 3.0326 3.0326 3.3944 3.3944 4.7915 4.7915 5.0257 5.0257 5.7687 5.7687 5.9444 5.9444 6.4557 6.4557 7.4883 7.4883 11.7249 11.7249 12.3904 12.3904 13.1603 13.1603 15.2236 15.2236 k = 0.3415 0.5000-0.0000 ( 3722 PWs) bands (ev): -46.8157 -46.8157 -42.2743 -42.2743 -24.5200 -24.5200 -22.5447 -22.5447 -22.4098 -22.4098 -14.3203 -14.3203 -14.1483 -14.1483 -14.1353 -14.1353 -9.3587 -9.3587 -8.3400 -8.3400 -7.9789 -7.9789 2.2690 2.2690 2.9905 2.9905 3.2951 3.2951 4.7925 4.7925 4.9964 4.9964 5.7744 5.7744 5.9268 5.9268 6.4487 6.4487 7.5246 7.5246 11.8092 11.8092 12.3919 12.3919 13.2118 13.2118 15.2485 15.2485 k = 0.3537 0.5000-0.0000 ( 3714 PWs) bands (ev): -46.8156 -46.8156 -42.2743 -42.2743 -24.5214 -24.5214 -22.5475 -22.5475 -22.4110 -22.4110 -14.3202 -14.3202 -14.1482 -14.1482 -14.1353 -14.1353 -9.3576 -9.3576 -8.2957 -8.2957 -7.9754 -7.9754 2.2547 2.2547 2.9513 2.9513 3.2034 3.2034 4.7935 4.7935 4.9689 4.9689 5.7796 5.7796 5.9106 5.9106 6.4424 6.4424 7.5580 7.5580 11.8893 11.8893 12.3934 12.3934 13.2625 13.2625 15.2711 15.2711 k = 0.3659 0.5000-0.0000 ( 3714 PWs) bands (ev): -46.8155 -46.8155 -42.2743 -42.2743 -24.5228 -24.5228 -22.5502 -22.5502 -22.4120 -22.4120 -14.3202 -14.3202 -14.1483 -14.1483 -14.1354 -14.1354 -9.3565 -9.3565 -8.2539 -8.2539 -7.9715 -7.9715 2.2383 2.2383 2.9151 2.9151 3.1199 3.1199 4.7944 4.7944 4.9431 4.9431 5.7843 5.7843 5.8957 5.8957 6.4368 6.4368 7.5885 7.5885 11.9647 11.9647 12.3949 12.3949 13.3116 13.3116 15.2916 15.2916 k = 0.3780 0.5000-0.0000 ( 3718 PWs) bands (ev): -46.8154 -46.8154 -42.2743 -42.2743 -24.5240 -24.5240 -22.5527 -22.5527 -22.4129 -22.4129 -14.3203 -14.3203 -14.1483 -14.1483 -14.1354 -14.1354 -9.3556 -9.3556 -8.2151 -8.2151 -7.9672 -7.9672 2.2198 2.2198 2.8820 2.8820 3.0453 3.0453 4.7953 4.7953 4.9192 4.9192 5.7885 5.7885 5.8822 5.8822 6.4319 6.4319 7.6161 7.6161 12.0350 12.0350 12.3965 12.3965 13.3589 13.3589 15.3100 15.3100 k = 0.3902 0.5000-0.0000 ( 3714 PWs) bands (ev): -46.8153 -46.8153 -42.2743 -42.2743 -24.5252 -24.5252 -22.5551 -22.5551 -22.4138 -22.4138 -14.3202 -14.3202 -14.1483 -14.1483 -14.1354 -14.1354 -9.3548 -9.3548 -8.1798 -8.1798 -7.9621 -7.9621 2.1996 2.1996 2.8519 2.8519 2.9797 2.9797 4.7960 4.7960 4.8973 4.8973 5.7922 5.7922 5.8700 5.8700 6.4276 6.4276 7.6409 7.6409 12.0996 12.0996 12.3982 12.3982 13.4036 13.4036 15.3264 15.3264 k = 0.4024 0.5000-0.0000 ( 3712 PWs) bands (ev): -46.8152 -46.8152 -42.2743 -42.2743 -24.5263 -24.5263 -22.5573 -22.5573 -22.4145 -22.4145 -14.3202 -14.3202 -14.1483 -14.1483 -14.1354 -14.1354 -9.3541 -9.3541 -8.1485 -8.1485 -7.9563 -7.9563 2.1779 2.1779 2.8248 2.8248 2.9233 2.9233 4.7966 4.7966 4.8776 4.8776 5.7952 5.7952 5.8594 5.8594 6.4239 6.4239 7.6629 7.6629 12.1583 12.1583 12.4000 12.4000 13.4454 13.4454 15.3409 15.3409 k = 0.4146 0.5000-0.0000 ( 3716 PWs) bands (ev): -46.8152 -46.8152 -42.2743 -42.2743 -24.5272 -24.5272 -22.5592 -22.5592 -22.4151 -22.4151 -14.3203 -14.3203 -14.1484 -14.1484 -14.1354 -14.1354 -9.3534 -9.3534 -8.1216 -8.1216 -7.9496 -7.9496 2.1554 2.1554 2.8009 2.8009 2.8757 2.8757 4.7971 4.7971 4.8601 4.8601 5.7976 5.7976 5.8503 5.8503 6.4206 6.4206 7.6822 7.6822 12.2104 12.2104 12.4022 12.4022 13.4836 13.4836 15.3536 15.3536 k = 0.4268 0.5000-0.0000 ( 3712 PWs) bands (ev): -46.8151 -46.8151 -42.2742 -42.2742 -24.5281 -24.5281 -22.5610 -22.5610 -22.4156 -22.4156 -14.3203 -14.3203 -14.1484 -14.1484 -14.1354 -14.1354 -9.3529 -9.3529 -8.0993 -8.0993 -7.9421 -7.9421 2.1331 2.1331 2.7801 2.7801 2.8365 2.8365 4.7974 4.7974 4.8449 4.8449 5.7992 5.7992 5.8428 5.8428 6.4179 6.4179 7.6988 7.6988 12.2554 12.2554 12.4050 12.4050 13.5179 13.5179 15.3644 15.3644 k = 0.4390 0.5000-0.0000 ( 3700 PWs) bands (ev): -46.8150 -46.8150 -42.2742 -42.2742 -24.5288 -24.5288 -22.5625 -22.5625 -22.4160 -22.4160 -14.3202 -14.3202 -14.1483 -14.1483 -14.1353 -14.1353 -9.3525 -9.3525 -8.0816 -8.0816 -7.9341 -7.9341 2.1120 2.1120 2.7625 2.7625 2.8051 2.8051 4.7974 4.7974 4.8322 4.8322 5.8001 5.8001 5.8370 5.8370 6.4156 6.4156 7.7128 7.7128 12.2927 12.2927 12.4087 12.4087 13.5478 13.5478 15.3736 15.3736 k = 0.4512 0.5000-0.0000 ( 3700 PWs) bands (ev): -46.8150 -46.8150 -42.2742 -42.2742 -24.5294 -24.5294 -22.5637 -22.5637 -22.4163 -22.4163 -14.3202 -14.3202 -14.1484 -14.1484 -14.1353 -14.1353 -9.3521 -9.3521 -8.0682 -8.0682 -7.9261 -7.9261 2.0930 2.0930 2.7481 2.7481 2.7806 2.7806 4.7971 4.7971 4.8222 4.8222 5.8002 5.8002 5.8329 5.8329 6.4138 6.4138 7.7241 7.7241 12.3216 12.3216 12.4137 12.4137 13.5727 13.5727 15.3810 15.3810 k = 0.4634 0.5000-0.0000 ( 3700 PWs) bands (ev): -46.8149 -46.8149 -42.2742 -42.2742 -24.5299 -24.5299 -22.5647 -22.5647 -22.4166 -22.4166 -14.3202 -14.3202 -14.1484 -14.1484 -14.1353 -14.1353 -9.3518 -9.3518 -8.0587 -8.0587 -7.9188 -7.9188 2.0771 2.0771 2.7368 2.7368 2.7624 2.7624 4.7962 4.7962 4.8149 4.8149 5.7997 5.7997 5.8302 5.8302 6.4124 6.4124 7.7329 7.7329 12.3419 12.3419 12.4199 12.4199 13.5926 13.5926 15.3867 15.3867 k = 0.4756 0.5000-0.0000 ( 3696 PWs) bands (ev): -46.8149 -46.8149 -42.2742 -42.2742 -24.5302 -24.5302 -22.5654 -22.5654 -22.4168 -22.4168 -14.3202 -14.3202 -14.1484 -14.1484 -14.1353 -14.1353 -9.3516 -9.3516 -8.0523 -8.0523 -7.9131 -7.9131 2.0652 2.0652 2.7287 2.7287 2.7498 2.7498 4.7947 4.7947 4.8105 4.8105 5.7990 5.7990 5.8286 5.8286 6.4114 6.4114 7.7392 7.7392 12.3545 12.3545 12.4265 12.4265 13.6069 13.6069 15.3908 15.3908 k = 0.4878 0.5000-0.0000 ( 3696 PWs) bands (ev): -46.8149 -46.8149 -42.2742 -42.2742 -24.5304 -24.5304 -22.5659 -22.5659 -22.4169 -22.4169 -14.3202 -14.3202 -14.1484 -14.1484 -14.1353 -14.1353 -9.3515 -9.3515 -8.0487 -8.0487 -7.9093 -7.9093 2.0578 2.0578 2.7239 2.7239 2.7425 2.7425 4.7934 4.7934 4.8084 4.8084 5.7984 5.7984 5.8278 5.8278 6.4108 6.4108 7.7429 7.7429 12.3610 12.3610 12.4316 12.4316 13.6156 13.6156 15.3932 15.3932 k = 0.5000 0.5000-0.0000 ( 3676 PWs) bands (ev): -46.8148 -46.8148 -42.2742 -42.2742 -24.5304 -24.5304 -22.5660 -22.5660 -22.4169 -22.4169 -14.3201 -14.3201 -14.1483 -14.1483 -14.1352 -14.1352 -9.3514 -9.3514 -8.0475 -8.0475 -7.9080 -7.9080 2.0553 2.0553 2.7223 2.7223 2.7401 2.7401 4.7928 4.7928 4.8078 4.8078 5.7982 5.7982 5.8277 5.8277 6.4107 6.4107 7.7442 7.7442 12.3629 12.3629 12.4335 12.4335 13.6185 13.6185 15.3940 15.3940 k = 0.5000 0.5000-0.0000 ( 3676 PWs) bands (ev): -46.8148 -46.8148 -42.2742 -42.2742 -24.5304 -24.5304 -22.5660 -22.5660 -22.4169 -22.4169 -14.3201 -14.3201 -14.1483 -14.1483 -14.1352 -14.1352 -9.3514 -9.3514 -8.0475 -8.0475 -7.9080 -7.9080 2.0553 2.0553 2.7223 2.7223 2.7401 2.7401 4.7928 4.7928 4.8078 4.8078 5.7982 5.7982 5.8277 5.8277 6.4107 6.4107 7.7442 7.7442 12.3629 12.3629 12.4335 12.4335 13.6185 13.6185 15.3940 15.3940 k = 0.4912 0.4912-0.0000 ( 3700 PWs) bands (ev): -46.8149 -46.8149 -42.2742 -42.2742 -24.5304 -24.5304 -22.5659 -22.5659 -22.4169 -22.4169 -14.3202 -14.3202 -14.1484 -14.1484 -14.1353 -14.1353 -9.3515 -9.3515 -8.0487 -8.0487 -7.9094 -7.9094 2.0579 2.0579 2.7240 2.7240 2.7425 2.7425 4.7934 4.7934 4.8084 4.8084 5.7984 5.7984 5.8278 5.8278 6.4108 6.4108 7.7428 7.7428 12.3609 12.3609 12.4314 12.4314 13.6155 13.6155 15.3932 15.3932 k = 0.4825 0.4825-0.0000 ( 3700 PWs) bands (ev): -46.8149 -46.8149 -42.2742 -42.2742 -24.5302 -24.5302 -22.5654 -22.5654 -22.4168 -22.4168 -14.3202 -14.3202 -14.1484 -14.1484 -14.1353 -14.1353 -9.3516 -9.3516 -8.0523 -8.0523 -7.9134 -7.9134 2.0657 2.0657 2.7289 2.7289 2.7501 2.7501 4.7952 4.7952 4.8103 4.8103 5.7991 5.7991 5.8285 5.8285 6.4114 6.4114 7.7390 7.7390 12.3550 12.3550 12.4255 12.4255 13.6065 13.6065 15.3907 15.3907 k = 0.4737 0.4737-0.0000 ( 3700 PWs) bands (ev): -46.8149 -46.8149 -42.2742 -42.2742 -24.5298 -24.5298 -22.5647 -22.5647 -22.4166 -22.4166 -14.3202 -14.3202 -14.1484 -14.1484 -14.1353 -14.1353 -9.3518 -9.3518 -8.0583 -8.0583 -7.9200 -7.9200 2.0787 2.0787 2.7368 2.7368 2.7629 2.7629 4.7978 4.7978 4.8136 4.8136 5.8003 5.8003 5.8297 5.8297 6.4125 6.4125 7.7326 7.7326 12.3450 12.3450 12.4155 12.4155 13.5915 13.5915 15.3865 15.3865 k = 0.4649 0.4649-0.0000 ( 3700 PWs) bands (ev): -46.8150 -46.8150 -42.2742 -42.2742 -24.5293 -24.5293 -22.5636 -22.5636 -22.4163 -22.4163 -14.3202 -14.3202 -14.1483 -14.1483 -14.1353 -14.1353 -9.3521 -9.3521 -8.0667 -8.0667 -7.9293 -7.9293 2.0968 2.0968 2.7478 2.7478 2.7809 2.7809 4.8012 4.8012 4.8187 4.8187 5.8020 5.8020 5.8313 5.8313 6.4139 6.4139 7.7237 7.7237 12.3311 12.3311 12.4017 12.4017 13.5706 13.5706 15.3805 15.3805 k = 0.4561 0.4561-0.0000 ( 3710 PWs) bands (ev): -46.8150 -46.8150 -42.2742 -42.2742 -24.5287 -24.5287 -22.5623 -22.5623 -22.4160 -22.4160 -14.3203 -14.3203 -14.1484 -14.1484 -14.1354 -14.1354 -9.3525 -9.3525 -8.0773 -8.0773 -7.9411 -7.9411 2.1201 2.1201 2.7616 2.7616 2.8042 2.8042 4.8050 4.8050 4.8258 4.8258 5.8041 5.8041 5.8334 5.8334 6.4157 6.4157 7.7123 7.7123 12.3132 12.3132 12.3842 12.3842 13.5440 13.5440 15.3729 15.3729 k = 0.4474 0.4474-0.0000 ( 3714 PWs) bands (ev): -46.8151 -46.8151 -42.2743 -42.2743 -24.5280 -24.5280 -22.5607 -22.5607 -22.4156 -22.4156 -14.3203 -14.3203 -14.1484 -14.1484 -14.1354 -14.1354 -9.3530 -9.3530 -8.0903 -8.0903 -7.9554 -7.9554 2.1484 2.1484 2.7784 2.7784 2.8326 2.8326 4.8092 4.8092 4.8349 4.8349 5.8068 5.8068 5.8360 5.8360 6.4180 6.4180 7.6985 7.6985 12.2914 12.2914 12.3629 12.3629 13.5117 13.5117 15.3634 15.3634 k = 0.4386 0.4386-0.0000 ( 3706 PWs) bands (ev): -46.8151 -46.8151 -42.2742 -42.2742 -24.5271 -24.5271 -22.5588 -22.5588 -22.4151 -22.4151 -14.3202 -14.3202 -14.1483 -14.1483 -14.1354 -14.1354 -9.3535 -9.3535 -8.1055 -8.1055 -7.9720 -7.9720 2.1816 2.1816 2.7981 2.7981 2.8661 2.8661 4.8138 4.8138 4.8459 4.8459 5.8099 5.8099 5.8391 5.8391 6.4207 6.4207 7.6824 7.6824 12.2657 12.2657 12.3381 12.3381 13.4740 13.4740 15.3522 15.3522 k = 0.4298 0.4298-0.0000 ( 3710 PWs) bands (ev): -46.8152 -46.8152 -42.2743 -42.2743 -24.5260 -24.5260 -22.5566 -22.5566 -22.4146 -22.4146 -14.3202 -14.3202 -14.1482 -14.1482 -14.1354 -14.1354 -9.3542 -9.3542 -8.1229 -8.1229 -7.9909 -7.9909 2.2197 2.2197 2.8207 2.8207 2.9046 2.9046 4.8188 4.8188 4.8588 4.8588 5.8135 5.8135 5.8427 5.8427 6.4238 6.4238 7.6641 7.6641 12.2360 12.2360 12.3098 12.3098 13.4311 13.4311 15.3392 15.3392 k = 0.4211 0.4211-0.0000 ( 3706 PWs) bands (ev): -46.8153 -46.8153 -42.2743 -42.2743 -24.5249 -24.5249 -22.5542 -22.5542 -22.4139 -22.4139 -14.3202 -14.3202 -14.1482 -14.1482 -14.1354 -14.1354 -9.3550 -9.3550 -8.1424 -8.1424 -8.0120 -8.0120 2.2625 2.2625 2.8462 2.8462 2.9478 2.9478 4.8243 4.8243 4.8737 4.8737 5.8177 5.8177 5.8469 5.8469 6.4273 6.4273 7.6437 7.6437 12.2025 12.2025 12.2782 12.2782 13.3832 13.3832 15.3243 15.3243 k = 0.4123 0.4123-0.0000 ( 3702 PWs) bands (ev): -46.8154 -46.8154 -42.2743 -42.2743 -24.5236 -24.5236 -22.5515 -22.5515 -22.4132 -22.4132 -14.3201 -14.3201 -14.1481 -14.1481 -14.1354 -14.1354 -9.3559 -9.3559 -8.1640 -8.1640 -8.0351 -8.0351 2.3100 2.3100 2.8746 2.8746 2.9958 2.9958 4.8303 4.8303 4.8903 4.8903 5.8224 5.8224 5.8515 5.8515 6.4313 6.4313 7.6212 7.6212 12.1653 12.1653 12.2435 12.2435 13.3304 13.3304 15.3075 15.3075 k = 0.4035 0.4035-0.0000 ( 3706 PWs) bands (ev): -46.8155 -46.8155 -42.2743 -42.2743 -24.5222 -24.5222 -22.5485 -22.5485 -22.4125 -22.4125 -14.3201 -14.3201 -14.1480 -14.1480 -14.1354 -14.1354 -9.3570 -9.3570 -8.1875 -8.1875 -8.0601 -8.0601 2.3621 2.3621 2.9058 2.9058 3.0482 3.0482 4.8368 4.8368 4.9088 4.9088 5.8276 5.8276 5.8567 5.8567 6.4358 6.4358 7.5969 7.5969 12.1244 12.1244 12.2056 12.2056 13.2732 13.2732 15.2887 15.2887 k = 0.3947 0.3947-0.0000 ( 3700 PWs) bands (ev): -46.8156 -46.8156 -42.2743 -42.2743 -24.5207 -24.5207 -22.5453 -22.5453 -22.4116 -22.4116 -14.3200 -14.3200 -14.1479 -14.1479 -14.1354 -14.1354 -9.3581 -9.3581 -8.2130 -8.2130 -8.0868 -8.0868 2.4184 2.4184 2.9398 2.9398 3.1051 3.1051 4.8439 4.8439 4.9290 4.9290 5.8333 5.8333 5.8624 5.8624 6.4407 6.4407 7.5708 7.5708 12.0800 12.0800 12.1649 12.1649 13.2116 13.2116 15.2679 15.2679 k = 0.3860 0.3860-0.0000 ( 3708 PWs) bands (ev): -46.8158 -46.8158 -42.2743 -42.2743 -24.5191 -24.5191 -22.5418 -22.5418 -22.4107 -22.4107 -14.3200 -14.3200 -14.1478 -14.1478 -14.1355 -14.1355 -9.3595 -9.3595 -8.2402 -8.2402 -8.1151 -8.1151 2.4790 2.4790 2.9766 2.9766 3.1661 3.1661 4.8513 4.8513 4.9508 4.9508 5.8397 5.8397 5.8686 5.8686 6.4461 6.4461 7.5430 7.5430 12.0322 12.0322 12.1212 12.1212 13.1461 13.1461 15.2449 15.2449 k = 0.3772 0.3772-0.0000 ( 3720 PWs) bands (ev): -46.8159 -46.8159 -42.2743 -42.2743 -24.5174 -24.5174 -22.5381 -22.5381 -22.4098 -22.4098 -14.3200 -14.3200 -14.1477 -14.1477 -14.1355 -14.1355 -9.3610 -9.3610 -8.2692 -8.2692 -8.1449 -8.1449 2.5437 2.5437 3.0161 3.0161 3.2313 3.2313 4.8593 4.8593 4.9744 4.9744 5.8466 5.8466 5.8753 5.8753 6.4520 6.4520 7.5137 7.5137 11.9812 11.9812 12.0748 12.0748 13.0767 13.0767 15.2198 15.2198 k = 0.3684 0.3684-0.0000 ( 3720 PWs) bands (ev): -46.8161 -46.8161 -42.2744 -42.2744 -24.5155 -24.5155 -22.5342 -22.5342 -22.4088 -22.4088 -14.3200 -14.3200 -14.1476 -14.1476 -14.1355 -14.1355 -9.3627 -9.3627 -8.2997 -8.2997 -8.1760 -8.1760 2.6122 2.6122 3.0582 3.0582 3.3003 3.3003 4.8678 4.8678 4.9997 4.9997 5.8542 5.8542 5.8826 5.8826 6.4584 6.4584 7.4831 7.4831 11.9272 11.9272 12.0258 12.0258 13.0040 13.0040 15.1924 15.1924 k = 0.3596 0.3596-0.0000 ( 3724 PWs) bands (ev): -46.8162 -46.8162 -42.2744 -42.2744 -24.5136 -24.5136 -22.5301 -22.5301 -22.4077 -22.4077 -14.3199 -14.3199 -14.1475 -14.1475 -14.1356 -14.1356 -9.3645 -9.3645 -8.3318 -8.3318 -8.2082 -8.2082 2.6845 2.6845 3.1030 3.1030 3.3731 3.3731 4.8768 4.8768 5.0266 5.0266 5.8624 5.8624 5.8905 5.8905 6.4653 6.4653 7.4514 7.4514 11.8704 11.8704 11.9741 11.9741 12.9280 12.9280 15.1626 15.1626 k = 0.3509 0.3509-0.0000 ( 3724 PWs) bands (ev): -46.8164 -46.8164 -42.2744 -42.2744 -24.5116 -24.5116 -22.5257 -22.5257 -22.4066 -22.4066 -14.3198 -14.3198 -14.1473 -14.1473 -14.1355 -14.1355 -9.3666 -9.3666 -8.3652 -8.3652 -8.2414 -8.2414 2.7603 2.7603 3.1503 3.1503 3.4494 3.4494 4.8863 4.8863 5.0551 5.0551 5.8713 5.8713 5.8990 5.8990 6.4727 6.4727 7.4186 7.4186 11.8109 11.8109 11.9200 11.9200 12.8490 12.8490 15.1304 15.1304 k = 0.3421 0.3421-0.0000 ( 3726 PWs) bands (ev): -46.8165 -46.8165 -42.2744 -42.2744 -24.5095 -24.5095 -22.5212 -22.5212 -22.4054 -22.4054 -14.3197 -14.3197 -14.1471 -14.1471 -14.1355 -14.1355 -9.3689 -9.3689 -8.3998 -8.3998 -8.2754 -8.2754 2.8393 2.8393 3.2002 3.2002 3.5290 3.5290 4.8961 4.8961 5.0852 5.0852 5.8809 5.8809 5.9080 5.9080 6.4807 6.4807 7.3850 7.3850 11.7490 11.7490 11.8636 11.8636 12.7674 12.7674 15.0955 15.0955 k = 0.3333 0.3333-0.0000 ( 3716 PWs) bands (ev): -46.8167 -46.8167 -42.2744 -42.2744 -24.5073 -24.5073 -22.5165 -22.5165 -22.4042 -22.4042 -14.3196 -14.3196 -14.1468 -14.1468 -14.1355 -14.1355 -9.3715 -9.3715 -8.4355 -8.4355 -8.3101 -8.3101 2.9215 2.9215 3.2525 3.2525 3.6117 3.6117 4.9063 4.9063 5.1169 5.1169 5.8911 5.8911 5.9177 5.9177 6.4892 6.4892 7.3506 7.3506 11.6849 11.6849 11.8049 11.8049 12.6833 12.6833 15.0579 15.0579 k = 0.3246 0.3246-0.0000 ( 3730 PWs) bands (ev): -46.8169 -46.8169 -42.2744 -42.2744 -24.5051 -24.5051 -22.5117 -22.5117 -22.4029 -22.4029 -14.3195 -14.3195 -14.1467 -14.1467 -14.1355 -14.1355 -9.3743 -9.3743 -8.4722 -8.4722 -8.3454 -8.3454 3.0064 3.0064 3.3070 3.3070 3.6974 3.6974 4.9169 4.9169 5.1501 5.1501 5.9020 5.9020 5.9281 5.9281 6.4983 6.4983 7.3157 7.3157 11.6187 11.6187 11.7440 11.7440 12.5969 12.5969 15.0174 15.0174 k = 0.3158 0.3158-0.0000 ( 3734 PWs) bands (ev): -46.8171 -46.8171 -42.2745 -42.2745 -24.5028 -24.5028 -22.5067 -22.5067 -22.4016 -22.4016 -14.3194 -14.3194 -14.1464 -14.1464 -14.1355 -14.1355 -9.3775 -9.3775 -8.5096 -8.5096 -8.3810 -8.3810 3.0940 3.0940 3.3640 3.3640 3.7858 3.7858 4.9278 4.9278 5.1848 5.1848 5.9136 5.9136 5.9393 5.9393 6.5080 6.5080 7.2805 7.2805 11.5507 11.5507 11.6811 11.6811 12.5086 12.5086 14.9737 14.9737 k = 0.3070 0.3070-0.0000 ( 3736 PWs) bands (ev): -46.8172 -46.8172 -42.2745 -42.2745 -24.5005 -24.5005 -22.5015 -22.5015 -22.4003 -22.4003 -14.3193 -14.3193 -14.1462 -14.1462 -14.1355 -14.1355 -9.3809 -9.3809 -8.5476 -8.5476 -8.4170 -8.4170 3.1838 3.1838 3.4231 3.4231 3.8768 3.8768 4.9391 4.9391 5.2210 5.2210 5.9259 5.9259 5.9513 5.9513 6.5182 6.5182 7.2450 7.2450 11.4811 11.4811 11.6163 11.6163 12.4184 12.4184 14.9267 14.9267 k = 0.2982 0.2982-0.0000 ( 3736 PWs) bands (ev): -46.8174 -46.8174 -42.2745 -42.2745 -24.4981 -24.4981 -22.4963 -22.4963 -22.3989 -22.3989 -14.3191 -14.3191 -14.1459 -14.1459 -14.1355 -14.1355 -9.3847 -9.3847 -8.5861 -8.5861 -8.4532 -8.4532 3.2755 3.2755 3.4845 3.4845 3.9700 3.9700 4.9506 4.9506 5.2586 5.2586 5.9387 5.9387 5.9643 5.9643 6.5291 6.5291 7.2095 7.2095 11.4100 11.4100 11.5497 11.5497 12.3266 12.3266 14.8761 14.8761 k = 0.2895 0.2895-0.0000 ( 3736 PWs) bands (ev): -46.8176 -46.8176 -42.2745 -42.2745 -24.4956 -24.4956 -22.4909 -22.4909 -22.3975 -22.3975 -14.3189 -14.3189 -14.1456 -14.1456 -14.1354 -14.1354 -9.3890 -9.3890 -8.6248 -8.6248 -8.4895 -8.4895 3.3688 3.3688 3.5481 3.5481 4.0654 4.0654 4.9625 4.9625 5.2975 5.2975 5.9520 5.9520 5.9784 5.9784 6.5407 6.5407 7.1741 7.1741 11.3377 11.3377 11.4815 11.4815 12.2334 12.2334 14.8217 14.8217 k = 0.2807 0.2807-0.0000 ( 3742 PWs) bands (ev): -46.8178 -46.8178 -42.2745 -42.2745 -24.4931 -24.4931 -22.4855 -22.4855 -22.3960 -22.3960 -14.3188 -14.3188 -14.1453 -14.1453 -14.1354 -14.1354 -9.3936 -9.3936 -8.6635 -8.6635 -8.5258 -8.5258 3.4632 3.4632 3.6139 3.6139 4.1627 4.1627 4.9745 4.9745 5.3378 5.3378 5.9658 5.9658 5.9937 5.9937 6.5528 6.5528 7.1389 7.1389 11.2643 11.2643 11.4117 11.4117 12.1389 12.1389 14.7632 14.7632 k = 0.2719 0.2719-0.0000 ( 3732 PWs) bands (ev): -46.8180 -46.8180 -42.2746 -42.2746 -24.4906 -24.4906 -22.4800 -22.4800 -22.3945 -22.3945 -14.3185 -14.3185 -14.1449 -14.1449 -14.1353 -14.1353 -9.3988 -9.3988 -8.7021 -8.7021 -8.5620 -8.5620 3.5579 3.5579 3.6822 3.6822 4.2616 4.2616 4.9868 4.9868 5.3794 5.3794 5.9802 5.9802 6.0104 6.0104 6.5656 6.5656 7.1042 7.1042 11.1901 11.1901 11.3406 11.3406 12.0433 12.0433 14.7005 14.7005 k = 0.2632 0.2632-0.0000 ( 3732 PWs) bands (ev): -46.8182 -46.8182 -42.2746 -42.2746 -24.4881 -24.4881 -22.4744 -22.4744 -22.3930 -22.3930 -14.3183 -14.3183 -14.1445 -14.1445 -14.1352 -14.1352 -9.4045 -9.4045 -8.7404 -8.7404 -8.5980 -8.5980 3.6520 3.6520 3.7535 3.7535 4.3619 4.3619 4.9992 4.9992 5.4221 5.4221 5.9952 5.9952 6.0285 6.0285 6.5791 6.5791 7.0700 7.0700 11.1152 11.1152 11.2682 11.2682 11.9467 11.9467 14.6336 14.6336 k = 0.2544 0.2544-0.0000 ( 3724 PWs) bands (ev): -46.8184 -46.8184 -42.2746 -42.2746 -24.4856 -24.4856 -22.4688 -22.4688 -22.3915 -22.3915 -14.3180 -14.3180 -14.1441 -14.1441 -14.1351 -14.1351 -9.4107 -9.4107 -8.7781 -8.7781 -8.6336 -8.6336 3.7438 3.7438 3.8289 3.8289 4.4634 4.4634 5.0118 5.0118 5.4661 5.4661 6.0108 6.0108 6.0480 6.0480 6.5932 6.5932 7.0366 7.0366 11.0398 11.0398 11.1947 11.1947 11.8494 11.8494 14.5625 14.5625 k = 0.2456 0.2456-0.0000 ( 3724 PWs) bands (ev): -46.8185 -46.8185 -42.2746 -42.2746 -24.4830 -24.4830 -22.4632 -22.4632 -22.3900 -22.3900 -14.3178 -14.3178 -14.1436 -14.1436 -14.1351 -14.1351 -9.4176 -9.4176 -8.8150 -8.8150 -8.6690 -8.6690 3.8315 3.8315 3.9096 3.9096 4.5658 4.5658 5.0246 5.0246 5.5111 5.5111 6.0273 6.0273 6.0689 6.0689 6.6080 6.6080 7.0041 7.0041 10.9641 10.9641 11.1203 11.1203 11.7513 11.7513 14.4875 14.4875 k = 0.2368 0.2368-0.0000 ( 3734 PWs) bands (ev): -46.8188 -46.8188 -42.2746 -42.2746 -24.4805 -24.4805 -22.4576 -22.4576 -22.3885 -22.3885 -14.3176 -14.3176 -14.1433 -14.1433 -14.1350 -14.1350 -9.4253 -9.4253 -8.8511 -8.8511 -8.7038 -8.7038 3.9139 3.9139 3.9962 3.9962 4.6688 4.6688 5.0376 5.0376 5.5571 5.5571 6.0448 6.0448 6.0913 6.0913 6.6235 6.6235 6.9725 6.9725 10.8882 10.8882 11.0451 11.0451 11.6526 11.6526 14.4090 14.4090 k = 0.2281 0.2281-0.0000 ( 3734 PWs) bands (ev): -46.8190 -46.8190 -42.2746 -42.2746 -24.4780 -24.4780 -22.4519 -22.4519 -22.3869 -22.3869 -14.3173 -14.3173 -14.1428 -14.1428 -14.1349 -14.1349 -9.4336 -9.4336 -8.8859 -8.8859 -8.7381 -8.7381 3.9921 3.9921 4.0869 4.0869 4.7721 4.7721 5.0508 5.0508 5.6041 5.6041 6.0635 6.0635 6.1152 6.1152 6.6396 6.6396 6.9420 6.9420 10.8124 10.8124 10.9693 10.9693 11.5534 11.5534 14.3276 14.3276 k = 0.2193 0.2193-0.0000 ( 3732 PWs) bands (ev): -46.8191 -46.8191 -42.2747 -42.2747 -24.4755 -24.4755 -22.4464 -22.4464 -22.3854 -22.3854 -14.3171 -14.3171 -14.1423 -14.1423 -14.1348 -14.1348 -9.4429 -9.4429 -8.9195 -8.9195 -8.7718 -8.7718 4.0675 4.0675 4.1795 4.1795 4.8750 4.8750 5.0647 5.0647 5.6519 5.6519 6.0836 6.0836 6.1406 6.1406 6.6563 6.6563 6.9128 6.9128 10.7368 10.7368 10.8930 10.8930 11.4540 11.4540 14.2437 14.2437 k = 0.2105 0.2105-0.0000 ( 3736 PWs) bands (ev): -46.8193 -46.8193 -42.2747 -42.2747 -24.4730 -24.4730 -22.4408 -22.4408 -22.3839 -22.3839 -14.3168 -14.3168 -14.1419 -14.1419 -14.1348 -14.1348 -9.4530 -9.4530 -8.9515 -8.9515 -8.8048 -8.8048 4.1413 4.1413 4.2722 4.2722 4.9757 4.9757 5.0807 5.0807 5.7004 5.7004 6.1055 6.1055 6.1675 6.1675 6.6736 6.6736 6.8849 6.8849 10.6616 10.6616 10.8164 10.8164 11.3542 11.3542 14.1582 14.1582 k = 0.2018 0.2018-0.0000 ( 3728 PWs) bands (ev): -46.8195 -46.8195 -42.2747 -42.2747 -24.4706 -24.4706 -22.4353 -22.4353 -22.3824 -22.3824 -14.3165 -14.3165 -14.1413 -14.1413 -14.1346 -14.1346 -9.4640 -9.4640 -8.9818 -8.9818 -8.8371 -8.8371 4.2139 4.2139 4.3635 4.3635 5.0599 5.0599 5.1130 5.1130 5.7497 5.7497 6.1295 6.1295 6.1961 6.1961 6.6916 6.6916 6.8584 6.8584 10.5870 10.5870 10.7398 10.7398 11.2544 11.2544 14.0715 14.0715 k = 0.1930 0.1930-0.0000 ( 3733 PWs) bands (ev): -46.8197 -46.8197 -42.2747 -42.2747 -24.4682 -24.4682 -22.4299 -22.4299 -22.3809 -22.3809 -14.3162 -14.3162 -14.1408 -14.1408 -14.1346 -14.1346 -9.4760 -9.4760 -9.0103 -9.0103 -8.8685 -8.8685 4.2855 4.2855 4.4524 4.4524 5.0914 5.0914 5.1974 5.1974 5.7995 5.7995 6.1557 6.1557 6.2262 6.2262 6.7102 6.7102 6.8334 6.8334 10.5132 10.5132 10.6632 10.6632 11.1545 11.1545 13.9843 13.9843 k = 0.1842 0.1842-0.0000 ( 3735 PWs) bands (ev): -46.8199 -46.8199 -42.2747 -42.2747 -24.4658 -24.4658 -22.4246 -22.4246 -22.3795 -22.3795 -14.3159 -14.3159 -14.1403 -14.1403 -14.1345 -14.1345 -9.4890 -9.4890 -9.0369 -9.0369 -8.8990 -8.8990 4.3558 4.3558 4.5383 4.5383 5.1072 5.1072 5.2966 5.2966 5.8496 5.8496 6.1845 6.1845 6.2581 6.2581 6.7292 6.7292 6.8100 6.8100 10.4403 10.4403 10.5869 10.5869 11.0548 11.0548 13.8972 13.8972 k = 0.1754 0.1754-0.0000 ( 3735 PWs) bands (ev): -46.8201 -46.8201 -42.2748 -42.2748 -24.4635 -24.4635 -22.4195 -22.4195 -22.3780 -22.3780 -14.3156 -14.3156 -14.1398 -14.1398 -14.1344 -14.1344 -9.5028 -9.5028 -9.0614 -9.0614 -8.9285 -8.9285 4.4248 4.4248 4.6202 4.6202 5.1207 5.1207 5.3968 5.3968 5.9001 5.9001 6.2162 6.2162 6.2916 6.2916 6.7487 6.7487 6.7882 6.7882 10.3684 10.3684 10.5111 10.5111 10.9554 10.9554 13.8107 13.8107 k = 0.1667 0.1667-0.0000 ( 3743 PWs) bands (ev): -46.8203 -46.8203 -42.2748 -42.2748 -24.4613 -24.4613 -22.4144 -22.4144 -22.3766 -22.3766 -14.3153 -14.3153 -14.1393 -14.1393 -14.1343 -14.1343 -9.5176 -9.5176 -9.0840 -9.0840 -8.9570 -8.9570 4.4920 4.4920 4.6976 4.6976 5.1336 5.1336 5.4962 5.4962 5.9506 5.9506 6.2510 6.2510 6.3269 6.3269 6.7658 6.7658 6.7709 6.7709 10.2979 10.2979 10.4360 10.4360 10.8563 10.8563 13.7252 13.7252 k = 0.1579 0.1579-0.0000 ( 3739 PWs) bands (ev): -46.8204 -46.8204 -42.2748 -42.2748 -24.4592 -24.4592 -22.4095 -22.4095 -22.3753 -22.3753 -14.3150 -14.3150 -14.1388 -14.1388 -14.1342 -14.1342 -9.5330 -9.5330 -9.1044 -9.1044 -8.9843 -8.9843 4.5572 4.5572 4.7699 4.7699 5.1462 5.1462 5.5941 5.5941 6.0012 6.0012 6.2890 6.2890 6.3640 6.3640 6.7492 6.7492 6.7893 6.7893 10.2289 10.2289 10.3619 10.3619 10.7579 10.7579 13.6413 13.6413 k = 0.1491 0.1491-0.0000 ( 3743 PWs) bands (ev): -46.8206 -46.8206 -42.2748 -42.2748 -24.4571 -24.4571 -22.4048 -22.4048 -22.3739 -22.3739 -14.3147 -14.3147 -14.1383 -14.1383 -14.1341 -14.1341 -9.5490 -9.5490 -9.1229 -9.1229 -9.0106 -9.0106 4.6201 4.6201 4.8367 4.8367 5.1587 5.1587 5.6899 5.6899 6.0515 6.0515 6.3302 6.3302 6.4029 6.4029 6.7325 6.7325 6.8099 6.8099 10.1616 10.1616 10.2889 10.2889 10.6602 10.6602 13.5592 13.5592 k = 0.1404 0.1404-0.0000 ( 3747 PWs) bands (ev): -46.8207 -46.8207 -42.2748 -42.2748 -24.4551 -24.4551 -22.4002 -22.4002 -22.3727 -22.3727 -14.3144 -14.3144 -14.1378 -14.1378 -14.1340 -14.1340 -9.5655 -9.5655 -9.1395 -9.1395 -9.0356 -9.0356 4.6803 4.6803 4.8976 4.8976 5.1709 5.1709 5.7833 5.7833 6.1014 6.1014 6.3743 6.3743 6.4438 6.4438 6.7176 6.7176 6.8308 6.8308 10.0961 10.0961 10.2173 10.2173 10.5636 10.5636 13.4795 13.4795 k = 0.1316 0.1316-0.0000 ( 3765 PWs) bands (ev): -46.8209 -46.8209 -42.2749 -42.2749 -24.4532 -24.4532 -22.3959 -22.3959 -22.3715 -22.3715 -14.3142 -14.3142 -14.1374 -14.1374 -14.1339 -14.1339 -9.5822 -9.5822 -9.1544 -9.1544 -9.0594 -9.0594 4.7373 4.7373 4.9526 4.9526 5.1832 5.1832 5.8738 5.8738 6.1506 6.1506 6.4207 6.4207 6.4865 6.4865 6.7047 6.7047 6.8517 6.8517 10.0327 10.0327 10.1475 10.1475 10.4683 10.4683 13.4025 13.4025 k = 0.1228 0.1228-0.0000 ( 3761 PWs) bands (ev): -46.8211 -46.8211 -42.2749 -42.2749 -24.4514 -24.4514 -22.3917 -22.3917 -22.3703 -22.3703 -14.3139 -14.3139 -14.1369 -14.1369 -14.1338 -14.1338 -9.5988 -9.5988 -9.1675 -9.1675 -9.0819 -9.0819 4.7908 4.7908 5.0018 5.0018 5.1953 5.1953 5.9611 5.9611 6.1990 6.1990 6.4687 6.4687 6.5311 6.5311 6.6943 6.6943 6.8727 6.8727 9.9716 9.9716 10.0796 10.0796 10.3747 10.3747 13.3285 13.3285 k = 0.1140 0.1140-0.0000 ( 3765 PWs) bands (ev): -46.8212 -46.8212 -42.2749 -42.2749 -24.4497 -24.4497 -22.3878 -22.3878 -22.3692 -22.3692 -14.3137 -14.3137 -14.1364 -14.1364 -14.1337 -14.1337 -9.6153 -9.6153 -9.1792 -9.1792 -9.1030 -9.1030 4.8404 4.8404 5.0455 5.0455 5.2074 5.2074 6.0445 6.0445 6.2462 6.2462 6.5167 6.5167 6.5770 6.5770 6.6873 6.6873 6.8935 6.8935 9.9129 9.9129 10.0140 10.0140 10.2831 10.2831 13.2579 13.2579 k = 0.1053 0.1053-0.0000 ( 3765 PWs) bands (ev): -46.8213 -46.8213 -42.2749 -42.2749 -24.4481 -24.4481 -22.3841 -22.3841 -22.3681 -22.3681 -14.3134 -14.3134 -14.1359 -14.1359 -14.1336 -14.1336 -9.6314 -9.6314 -9.1894 -9.1894 -9.1227 -9.1227 4.8857 4.8857 5.0841 5.0841 5.2192 5.2192 6.1237 6.1237 6.2920 6.2920 6.5623 6.5623 6.6217 6.6217 6.6879 6.6879 6.9142 6.9142 9.8569 9.8569 9.9509 9.9509 10.1940 10.1940 13.1910 13.1910 k = 0.0965 0.0965-0.0000 ( 3771 PWs) bands (ev): -46.8215 -46.8215 -42.2749 -42.2749 -24.4466 -24.4466 -22.3807 -22.3807 -22.3672 -22.3672 -14.3132 -14.3132 -14.1355 -14.1355 -14.1335 -14.1335 -9.6469 -9.6469 -9.1984 -9.1984 -9.1410 -9.1410 4.9264 4.9264 5.1183 5.1183 5.2308 5.2308 6.1980 6.1980 6.3360 6.3360 6.5994 6.5994 6.6580 6.6580 6.7081 6.7081 6.9344 6.9344 9.8039 9.8039 9.8907 9.8907 10.1081 10.1081 13.1281 13.1281 k = 0.0877 0.0877-0.0000 ( 3771 PWs) bands (ev): -46.8216 -46.8216 -42.2749 -42.2749 -24.4452 -24.4452 -22.3775 -22.3775 -22.3663 -22.3663 -14.3130 -14.3130 -14.1352 -14.1352 -14.1334 -14.1334 -9.6616 -9.6616 -9.2063 -9.2063 -9.1578 -9.1578 4.9624 4.9624 5.1487 5.1487 5.2419 5.2419 6.2670 6.2670 6.3780 6.3780 6.6179 6.6179 6.6916 6.6916 6.7505 6.7505 6.9543 6.9543 9.7539 9.7539 9.8335 9.8335 10.0259 10.0259 13.0695 13.0695 k = 0.0789 0.0789-0.0000 ( 3767 PWs) bands (ev): -46.8217 -46.8217 -42.2749 -42.2749 -24.4440 -24.4440 -22.3746 -22.3746 -22.3654 -22.3654 -14.3127 -14.3127 -14.1348 -14.1348 -14.1333 -14.1333 -9.6753 -9.6753 -9.2131 -9.2131 -9.1731 -9.1731 4.9934 4.9934 5.1759 5.1759 5.2523 5.2523 6.3303 6.3303 6.4176 6.4176 6.6217 6.6217 6.7321 6.7321 6.8003 6.8003 6.9735 6.9735 9.7074 9.7074 9.7795 9.7795 9.9484 9.9484 13.0155 13.0155 k = 0.0702 0.0702-0.0000 ( 3763 PWs) bands (ev): -46.8217 -46.8217 -42.2749 -42.2749 -24.4428 -24.4428 -22.3719 -22.3719 -22.3647 -22.3647 -14.3125 -14.3125 -14.1344 -14.1344 -14.1332 -14.1332 -9.6879 -9.6879 -9.2190 -9.2190 -9.1869 -9.1869 5.0197 5.0197 5.2003 5.2003 5.2620 5.2620 6.3875 6.3875 6.4545 6.4545 6.6205 6.6205 6.7744 6.7744 6.8507 6.8507 6.9920 6.9920 9.6645 9.6645 9.7289 9.7289 9.8766 9.8766 12.9664 12.9664 k = 0.0614 0.0614-0.0000 ( 3759 PWs) bands (ev): -46.8218 -46.8218 -42.2749 -42.2749 -24.4418 -24.4418 -22.3696 -22.3696 -22.3640 -22.3640 -14.3123 -14.3123 -14.1340 -14.1340 -14.1331 -14.1331 -9.6994 -9.6994 -9.2241 -9.2241 -9.1991 -9.1991 5.0415 5.0415 5.2222 5.2222 5.2705 5.2705 6.4383 6.4383 6.4882 6.4882 6.6181 6.6181 6.8153 6.8153 6.8993 6.8993 7.0098 7.0098 9.6255 9.6255 9.6816 9.6816 9.8116 9.8116 12.9224 12.9224 k = 0.0526 0.0526-0.0000 ( 3759 PWs) bands (ev): -46.8219 -46.8219 -42.2749 -42.2749 -24.4409 -24.4409 -22.3675 -22.3675 -22.3634 -22.3634 -14.3122 -14.3122 -14.1338 -14.1338 -14.1331 -14.1331 -9.7095 -9.7095 -9.2283 -9.2283 -9.2098 -9.2098 5.0591 5.0591 5.2416 5.2416 5.2780 5.2780 6.4824 6.4824 6.5184 6.5184 6.6155 6.6155 6.8531 6.8531 6.9446 6.9446 7.0266 7.0266 9.5907 9.5907 9.6377 9.6377 9.7547 9.7547 12.8837 12.8837 k = 0.0439 0.0439-0.0000 ( 3755 PWs) bands (ev): -46.8219 -46.8219 -42.2749 -42.2749 -24.4402 -24.4402 -22.3658 -22.3658 -22.3629 -22.3629 -14.3120 -14.3120 -14.1335 -14.1335 -14.1330 -14.1330 -9.7182 -9.7182 -9.2318 -9.2318 -9.2188 -9.2188 5.0731 5.0731 5.2584 5.2584 5.2843 5.2843 6.5195 6.5195 6.5447 6.5447 6.6133 6.6133 6.8865 6.8865 6.9853 6.9853 7.0423 7.0423 9.5605 9.5605 9.5973 9.5973 9.7069 9.7069 12.8506 12.8506 k = 0.0351 0.0351-0.0000 ( 3751 PWs) bands (ev): -46.8220 -46.8220 -42.2749 -42.2749 -24.4396 -24.4396 -22.3643 -22.3643 -22.3625 -22.3625 -14.3119 -14.3119 -14.1333 -14.1333 -14.1330 -14.1330 -9.7255 -9.7255 -9.2346 -9.2346 -9.2262 -9.2262 5.0839 5.0839 5.2725 5.2725 5.2894 5.2894 6.5497 6.5497 6.5669 6.5669 6.6117 6.6117 6.9145 6.9145 7.0203 7.0203 7.0567 7.0567 9.5352 9.5352 9.5613 9.5613 9.6687 9.6687 12.8233 12.8233 k = 0.0263 0.0263-0.0000 ( 3747 PWs) bands (ev): -46.8220 -46.8220 -42.2749 -42.2749 -24.4391 -24.4391 -22.3632 -22.3632 -22.3622 -22.3622 -14.3118 -14.3118 -14.1331 -14.1331 -14.1329 -14.1329 -9.7311 -9.7311 -9.2367 -9.2367 -9.2320 -9.2320 5.0919 5.0919 5.2837 5.2837 5.2933 5.2933 6.5728 6.5728 6.5842 6.5842 6.6111 6.6111 6.9363 6.9363 7.0487 7.0487 7.0690 7.0690 9.5151 9.5151 9.5310 9.5310 9.6399 9.6399 12.8019 12.8019 k = 0.0175 0.0175-0.0000 ( 3743 PWs) bands (ev): -46.8220 -46.8220 -42.2749 -42.2749 -24.4387 -24.4387 -22.3624 -22.3624 -22.3619 -22.3619 -14.3117 -14.3117 -14.1330 -14.1330 -14.1329 -14.1329 -9.7352 -9.7352 -9.2383 -9.2383 -9.2361 -9.2361 5.0974 5.0974 5.2917 5.2917 5.2961 5.2961 6.5887 6.5887 6.5955 6.5955 6.6125 6.6125 6.9518 6.9518 7.0698 7.0698 7.0787 7.0787 9.5005 9.5005 9.5080 9.5080 9.6198 9.6198 12.7865 12.7865 k = 0.0088 0.0088-0.0000 ( 3743 PWs) bands (ev): -46.8220 -46.8220 -42.2749 -42.2749 -24.4385 -24.4385 -22.3619 -22.3619 -22.3618 -22.3618 -14.3116 -14.3116 -14.1329 -14.1329 -14.1329 -14.1329 -9.7377 -9.7377 -9.2392 -9.2392 -9.2386 -9.2386 5.1006 5.1006 5.2966 5.2966 5.2977 5.2977 6.5980 6.5980 6.6001 6.6001 6.6158 6.6158 6.9610 6.9610 7.0827 7.0827 7.0849 7.0849 9.4916 9.4916 9.4935 9.4935 9.6080 9.6080 12.7772 12.7772 k = 0.0000 0.0000 0.0000 ( 3743 PWs) bands (ev): -46.8220 -46.8220 -42.2749 -42.2749 -24.4385 -24.4385 -22.3617 -22.3617 -22.3617 -22.3617 -14.3116 -14.3116 -14.1329 -14.1329 -14.1329 -14.1329 -9.7385 -9.7385 -9.2395 -9.2395 -9.2395 -9.2395 5.1017 5.1017 5.2983 5.2983 5.2983 5.2983 6.6011 6.6011 6.6011 6.6011 6.6175 6.6175 6.9641 6.9641 7.0870 7.0870 7.0870 7.0870 9.4886 9.4886 9.4886 9.4886 9.6041 9.6041 12.7741 12.7741 k = 0.0000 0.0000 0.0000 ( 3743 PWs) bands (ev): -46.8220 -46.8220 -42.2749 -42.2749 -24.4385 -24.4385 -22.3617 -22.3617 -22.3617 -22.3617 -14.3116 -14.3116 -14.1329 -14.1329 -14.1329 -14.1329 -9.7385 -9.7385 -9.2395 -9.2395 -9.2395 -9.2395 5.1017 5.1017 5.2983 5.2983 5.2983 5.2983 6.6011 6.6011 6.6011 6.6011 6.6175 6.6175 6.9641 6.9641 7.0870 7.0870 7.0870 7.0870 9.4886 9.4886 9.4886 9.4886 9.6041 9.6041 12.7741 12.7741 k = 0.0071 0.0071 0.0071 ( 3743 PWs) bands (ev): -46.8220 -46.8220 -42.2749 -42.2749 -24.4385 -24.4385 -22.3619 -22.3619 -22.3619 -22.3619 -14.3116 -14.3116 -14.1329 -14.1329 -14.1329 -14.1329 -9.7377 -9.7377 -9.2389 -9.2389 -9.2389 -9.2389 5.1006 5.1006 5.2967 5.2967 5.2976 5.2976 6.5980 6.5980 6.6002 6.6002 6.6158 6.6158 6.9611 6.9611 7.0836 7.0836 7.0839 7.0839 9.4923 9.4923 9.4928 9.4928 9.6080 9.6080 12.7772 12.7772 k = 0.0143 0.0143 0.0143 ( 3743 PWs) bands (ev): -46.8220 -46.8220 -42.2749 -42.2749 -24.4387 -24.4387 -22.3622 -22.3622 -22.3622 -22.3622 -14.3117 -14.3117 -14.1329 -14.1329 -14.1329 -14.1329 -9.7352 -9.7352 -9.2373 -9.2373 -9.2371 -9.2371 5.0975 5.0975 5.2921 5.2921 5.2958 5.2958 6.5886 6.5886 6.5951 6.5951 6.6131 6.6131 6.9521 6.9521 7.0736 7.0736 7.0747 7.0747 9.5032 9.5032 9.5053 9.5053 9.6195 9.6195 12.7864 12.7864 k = 0.0214 0.0214 0.0214 ( 3749 PWs) bands (ev): -46.8220 -46.8220 -42.2749 -42.2749 -24.4391 -24.4391 -22.3627 -22.3627 -22.3627 -22.3627 -14.3118 -14.3118 -14.1331 -14.1331 -14.1329 -14.1329 -9.7311 -9.7311 -9.2347 -9.2347 -9.2341 -9.2341 5.0921 5.0921 5.2844 5.2844 5.2926 5.2926 6.5732 6.5732 6.5819 6.5819 6.6133 6.6133 6.9374 6.9374 7.0572 7.0572 7.0596 7.0596 9.5212 9.5212 9.5257 9.5257 9.6384 9.6384 12.8018 12.8018 k = 0.0286 0.0286 0.0286 ( 3755 PWs) bands (ev): -46.8220 -46.8220 -42.2749 -42.2749 -24.4396 -24.4396 -22.3634 -22.3634 -22.3634 -22.3634 -14.3119 -14.3119 -14.1332 -14.1332 -14.1330 -14.1330 -9.7254 -9.7254 -9.2310 -9.2310 -9.2300 -9.2300 5.0843 5.0843 5.2738 5.2738 5.2879 5.2879 6.5518 6.5518 6.5613 6.5613 6.6160 6.6160 6.9174 6.9174 7.0348 7.0348 7.0391 7.0391 9.5458 9.5458 9.5539 9.5539 9.6646 9.6646 12.8232 12.8232 k = 0.0357 0.0357 0.0357 ( 3755 PWs) bands (ev): -46.8219 -46.8219 -42.2749 -42.2749 -24.4402 -24.4402 -22.3644 -22.3644 -22.3643 -22.3643 -14.3120 -14.3120 -14.1334 -14.1334 -14.1331 -14.1331 -9.7181 -9.7181 -9.2262 -9.2262 -9.2247 -9.2247 5.0740 5.0740 5.2605 5.2605 5.2818 5.2818 6.5247 6.5247 6.5342 6.5342 6.6202 6.6202 6.8925 6.8925 7.0069 7.0069 7.0137 7.0137 9.5766 9.5766 9.5892 9.5892 9.6975 9.6975 12.8506 12.8506 k = 0.0429 0.0429 0.0429 ( 3755 PWs) bands (ev): -46.8219 -46.8219 -42.2749 -42.2749 -24.4409 -24.4409 -22.3655 -22.3655 -22.3654 -22.3654 -14.3121 -14.3121 -14.1336 -14.1336 -14.1332 -14.1332 -9.7091 -9.7091 -9.2204 -9.2204 -9.2183 -9.2183 5.0610 5.0610 5.2446 5.2446 5.2739 5.2739 6.4922 6.4922 6.5011 6.5011 6.6257 6.6257 6.8632 6.8632 6.9741 6.9741 6.9842 6.9842 9.6131 9.6131 9.6312 9.6312 9.7369 9.7369 12.8840 12.8840 k = 0.0500 0.0500 0.0500 ( 3761 PWs) bands (ev): -46.8218 -46.8218 -42.2749 -42.2749 -24.4418 -24.4418 -22.3668 -22.3668 -22.3667 -22.3667 -14.3123 -14.3123 -14.1339 -14.1339 -14.1333 -14.1333 -9.6986 -9.6986 -9.2135 -9.2135 -9.2107 -9.2107 5.0450 5.0450 5.2263 5.2263 5.2641 5.2641 6.4544 6.4544 6.4624 6.4624 6.6322 6.6322 6.8298 6.8298 6.9375 6.9375 6.9514 6.9514 9.6547 9.6547 9.6793 9.6793 9.7821 9.7821 12.9231 12.9231 k = 0.0571 0.0571 0.0571 ( 3767 PWs) bands (ev): -46.8217 -46.8217 -42.2749 -42.2749 -24.4428 -24.4428 -22.3684 -22.3684 -22.3682 -22.3682 -14.3125 -14.3125 -14.1342 -14.1342 -14.1334 -14.1334 -9.6865 -9.6865 -9.2057 -9.2057 -9.2019 -9.2019 5.0257 5.0257 5.2057 5.2057 5.2521 5.2521 6.4116 6.4116 6.4182 6.4182 6.6397 6.6397 6.7927 6.7927 6.8980 6.8980 6.9160 6.9160 9.7008 9.7008 9.7328 9.7328 9.8328 9.8328 12.9678 12.9678 k = 0.0643 0.0643 0.0643 ( 3767 PWs) bands (ev): -46.8217 -46.8217 -42.2749 -42.2749 -24.4440 -24.4440 -22.3701 -22.3701 -22.3699 -22.3699 -14.3127 -14.3127 -14.1345 -14.1345 -14.1336 -14.1336 -9.6729 -9.6729 -9.1968 -9.1968 -9.1921 -9.1921 5.0030 5.0030 5.1830 5.1830 5.2377 5.2377 6.3641 6.3641 6.3689 6.3689 6.6483 6.6483 6.7518 6.7518 6.8570 6.8570 6.8791 6.8791 9.7509 9.7509 9.7913 9.7913 9.8885 9.8885 13.0181 13.0181 k = 0.0714 0.0714 0.0714 ( 3761 PWs) bands (ev): -46.8215 -46.8215 -42.2749 -42.2749 -24.4452 -24.4452 -22.3720 -22.3720 -22.3718 -22.3718 -14.3129 -14.3129 -14.1348 -14.1348 -14.1337 -14.1337 -9.6577 -9.6577 -9.1868 -9.1868 -9.1811 -9.1811 4.9768 4.9768 5.1583 5.1583 5.2207 5.2207 6.3122 6.3122 6.3147 6.3147 6.6576 6.6576 6.7072 6.7072 6.8160 6.8160 6.8415 6.8415 9.8045 9.8045 9.8540 9.8540 9.9485 9.9485 13.0737 13.0737 k = 0.0786 0.0786 0.0786 ( 3767 PWs) bands (ev): -46.8214 -46.8214 -42.2749 -42.2749 -24.4466 -24.4466 -22.3741 -22.3741 -22.3739 -22.3739 -14.3132 -14.3132 -14.1351 -14.1351 -14.1339 -14.1339 -9.6411 -9.6411 -9.1760 -9.1760 -9.1690 -9.1690 4.9471 4.9471 5.1314 5.1314 5.2007 5.2007 6.2559 6.2559 6.2559 6.2559 6.6554 6.6554 6.6707 6.6707 6.7764 6.7764 6.8042 6.8042 9.8611 9.8611 9.9206 9.9206 10.0126 10.0126 13.1344 13.1344 k = 0.0857 0.0857 0.0857 ( 3767 PWs) bands (ev): -46.8213 -46.8213 -42.2749 -42.2749 -24.4481 -24.4481 -22.3764 -22.3764 -22.3761 -22.3761 -14.3134 -14.3134 -14.1355 -14.1355 -14.1341 -14.1341 -9.6229 -9.6229 -9.1641 -9.1641 -9.1558 -9.1558 4.9139 4.9139 5.1023 5.1023 5.1775 5.1775 6.1927 6.1927 6.1954 6.1954 6.6034 6.6034 6.6806 6.6806 6.7395 6.7395 6.7682 6.7682 9.9204 9.9204 9.9904 9.9904 10.0801 10.0801 13.2000 13.2000 k = 0.0929 0.0929 0.0929 ( 3761 PWs) bands (ev): -46.8212 -46.8212 -42.2749 -42.2749 -24.4498 -24.4498 -22.3788 -22.3788 -22.3786 -22.3786 -14.3136 -14.3136 -14.1358 -14.1358 -14.1342 -14.1342 -9.6034 -9.6034 -9.1512 -9.1512 -9.1416 -9.1416 4.8775 4.8775 5.0709 5.0709 5.1509 5.1509 6.1256 6.1256 6.1310 6.1310 6.5458 6.5458 6.6929 6.6929 6.7060 6.7060 6.7342 6.7342 9.9820 9.9820 10.0632 10.0632 10.1508 10.1508 13.2703 13.2703 k = 0.1000 0.1000 0.1000 ( 3767 PWs) bands (ev): -46.8211 -46.8211 -42.2749 -42.2749 -24.4515 -24.4515 -22.3815 -22.3815 -22.3812 -22.3812 -14.3139 -14.3139 -14.1362 -14.1362 -14.1344 -14.1344 -9.5825 -9.5825 -9.1374 -9.1374 -9.1263 -9.1263 4.8379 4.8379 5.0368 5.0368 5.1207 5.1207 6.0548 6.0548 6.0628 6.0628 6.4844 6.4844 6.6762 6.6762 6.7030 6.7030 6.7063 6.7063 10.0456 10.0456 10.1385 10.1385 10.2241 10.2241 13.3450 13.3450 k = 0.1071 0.1071 0.1071 ( 3749 PWs) bands (ev): -46.8209 -46.8209 -42.2748 -42.2748 -24.4534 -24.4534 -22.3842 -22.3842 -22.3839 -22.3839 -14.3141 -14.3141 -14.1365 -14.1365 -14.1346 -14.1346 -9.5602 -9.5602 -9.1227 -9.1227 -9.1100 -9.1100 4.7956 4.7956 5.0001 5.0001 5.0868 5.0868 5.9808 5.9808 5.9910 5.9910 6.4200 6.4200 6.6504 6.6504 6.6753 6.6753 6.7206 6.7206 10.1110 10.1110 10.2158 10.2158 10.2998 10.2998 13.4239 13.4239 k = 0.1143 0.1143 0.1143 ( 3740 PWs) bands (ev): -46.8207 -46.8207 -42.2748 -42.2748 -24.4553 -24.4553 -22.3872 -22.3872 -22.3868 -22.3868 -14.3144 -14.3144 -14.1369 -14.1369 -14.1348 -14.1348 -9.5365 -9.5365 -9.1071 -9.1071 -9.0927 -9.0927 4.7508 4.7508 4.9605 4.9605 5.0490 5.0490 5.9038 5.9038 5.9159 5.9159 6.3530 6.3530 6.6286 6.6286 6.6514 6.6514 6.7357 6.7357 10.1779 10.1779 10.2951 10.2951 10.3776 10.3776 13.5068 13.5068 k = 0.1214 0.1214 0.1214 ( 3740 PWs) bands (ev): -46.8205 -46.8205 -42.2748 -42.2748 -24.4574 -24.4574 -22.3903 -22.3903 -22.3898 -22.3898 -14.3146 -14.3146 -14.1373 -14.1373 -14.1350 -14.1350 -9.5116 -9.5116 -9.0906 -9.0906 -9.0744 -9.0744 4.7038 4.7038 4.9178 4.9178 5.0075 5.0075 5.8241 5.8241 5.8377 5.8377 6.2837 6.2837 6.6109 6.6109 6.6316 6.6316 6.7518 6.7518 10.2463 10.2463 10.3758 10.3758 10.4570 10.4570 13.5933 13.5933 k = 0.1286 0.1286 0.1286 ( 3740 PWs) bands (ev): -46.8204 -46.8204 -42.2748 -42.2748 -24.4595 -24.4595 -22.3935 -22.3935 -22.3930 -22.3930 -14.3149 -14.3149 -14.1377 -14.1377 -14.1352 -14.1352 -9.4855 -9.4855 -9.0732 -9.0732 -9.0552 -9.0552 4.6549 4.6549 4.8722 4.8722 4.9623 4.9623 5.7421 5.7421 5.7567 5.7567 6.2127 6.2127 6.5972 6.5972 6.6162 6.6162 6.7686 6.7686 10.3159 10.3159 10.4578 10.4578 10.5379 10.5379 13.6831 13.6831 k = 0.1357 0.1357 0.1357 ( 3734 PWs) bands (ev): -46.8202 -46.8202 -42.2748 -42.2748 -24.4617 -24.4617 -22.3969 -22.3969 -22.3964 -22.3964 -14.3152 -14.3152 -14.1380 -14.1380 -14.1354 -14.1354 -9.4582 -9.4582 -9.0549 -9.0549 -9.0351 -9.0351 4.6044 4.6044 4.8237 4.8237 4.9136 4.9136 5.6582 5.6582 5.6732 5.6732 6.1401 6.1401 6.5876 6.5876 6.6051 6.6051 6.7863 6.7863 10.3866 10.3866 10.5409 10.5409 10.6200 10.6200 13.7761 13.7761 k = 0.1429 0.1429 0.1429 ( 3725 PWs) bands (ev): -46.8200 -46.8200 -42.2747 -42.2747 -24.4641 -24.4641 -22.4004 -22.4004 -22.3998 -22.3998 -14.3154 -14.3154 -14.1384 -14.1384 -14.1356 -14.1356 -9.4298 -9.4298 -9.0359 -9.0359 -9.0141 -9.0141 4.5525 4.5525 4.7722 4.7722 4.8616 4.8616 5.5726 5.5726 5.5876 5.5876 6.0662 6.0662 6.5819 6.5819 6.5983 6.5983 6.8047 6.8047 10.4584 10.4584 10.6248 10.6248 10.7031 10.7031 13.8717 13.8717 k = 0.1500 0.1500 0.1500 ( 3719 PWs) bands (ev): -46.8198 -46.8198 -42.2747 -42.2747 -24.4665 -24.4665 -22.4040 -22.4040 -22.4034 -22.4034 -14.3157 -14.3157 -14.1387 -14.1387 -14.1359 -14.1359 -9.4003 -9.4003 -9.0161 -9.0161 -8.9922 -8.9922 4.4995 4.4995 4.7181 4.7181 4.8065 4.8065 5.4857 5.4857 5.5002 5.5002 5.9911 5.9911 6.5800 6.5800 6.5957 6.5957 6.8239 6.8239 10.5312 10.5312 10.7093 10.7093 10.7871 10.7871 13.9699 13.9699 k = 0.1571 0.1571 0.1571 ( 3713 PWs) bands (ev): -46.8196 -46.8196 -42.2747 -42.2747 -24.4690 -24.4690 -22.4077 -22.4077 -22.4071 -22.4071 -14.3160 -14.3160 -14.1391 -14.1391 -14.1361 -14.1361 -9.3697 -9.3697 -8.9955 -8.9955 -8.9695 -8.9695 4.4455 4.4455 4.6614 4.6614 4.7486 4.7486 5.3978 5.3978 5.4114 5.4114 5.9150 5.9150 6.5817 6.5817 6.5970 6.5970 6.8438 6.8438 10.6049 10.6049 10.7944 10.7944 10.8716 10.8716 14.0702 14.0702 k = 0.1643 0.1643 0.1643 ( 3713 PWs) bands (ev): -46.8194 -46.8194 -42.2747 -42.2747 -24.4715 -24.4715 -22.4116 -22.4116 -22.4109 -22.4109 -14.3163 -14.3163 -14.1395 -14.1395 -14.1363 -14.1363 -9.3382 -9.3382 -8.9741 -8.9741 -8.9460 -8.9460 4.3909 4.3909 4.6025 4.6025 4.6882 4.6882 5.3091 5.3091 5.3214 5.3214 5.8381 5.8381 6.5869 6.5869 6.6020 6.6020 6.8644 6.8644 10.6794 10.6794 10.8798 10.8798 10.9566 10.9566 14.1722 14.1722 k = 0.1714 0.1714 0.1714 ( 3713 PWs) bands (ev): -46.8192 -46.8192 -42.2746 -42.2746 -24.4742 -24.4742 -22.4155 -22.4155 -22.4147 -22.4147 -14.3165 -14.3165 -14.1398 -14.1398 -14.1366 -14.1366 -9.3057 -9.3057 -8.9521 -8.9521 -8.9218 -8.9218 4.3358 4.3358 4.5414 4.5414 4.6255 4.6255 5.2199 5.2199 5.2305 5.2305 5.7605 5.7605 6.5954 6.5954 6.6105 6.6105 6.8856 6.8856 10.7548 10.7548 10.9654 10.9654 11.0419 11.0419 14.2758 14.2758 k = 0.1786 0.1786 0.1786 ( 3725 PWs) bands (ev): -46.8190 -46.8190 -42.2746 -42.2746 -24.4769 -24.4769 -22.4196 -22.4196 -22.4187 -22.4187 -14.3169 -14.3169 -14.1402 -14.1402 -14.1369 -14.1369 -9.2725 -9.2725 -8.9293 -8.9293 -8.8968 -8.8968 4.2803 4.2803 4.4784 4.4784 4.5608 4.5608 5.1304 5.1304 5.1392 5.1392 5.6823 5.6823 6.6069 6.6069 6.6221 6.6221 6.9075 6.9075 10.8309 10.8309 11.0511 11.0511 11.1275 11.1275 14.3805 14.3805 k = 0.1857 0.1857 0.1857 ( 3725 PWs) bands (ev): -46.8188 -46.8188 -42.2746 -42.2746 -24.4796 -24.4796 -22.4237 -22.4237 -22.4228 -22.4228 -14.3171 -14.3171 -14.1405 -14.1405 -14.1372 -14.1372 -9.2384 -9.2384 -8.9059 -8.9059 -8.8712 -8.8712 4.2247 4.2247 4.4137 4.4137 4.4943 4.4943 5.0411 5.0411 5.0477 5.0477 5.6037 5.6037 6.6213 6.6213 6.6367 6.6367 6.9299 6.9299 10.9077 10.9077 11.1368 11.1368 11.2130 11.2130 14.4860 14.4860 k = 0.1929 0.1929 0.1929 ( 3713 PWs) bands (ev): -46.8185 -46.8185 -42.2746 -42.2746 -24.4824 -24.4824 -22.4278 -22.4278 -22.4269 -22.4269 -14.3173 -14.3173 -14.1408 -14.1408 -14.1374 -14.1374 -9.2035 -9.2035 -8.8819 -8.8819 -8.8449 -8.8449 4.1690 4.1690 4.3477 4.3477 4.4262 4.4262 4.9520 4.9520 4.9562 4.9562 5.5247 5.5247 6.6383 6.6383 6.6541 6.6541 6.9529 6.9529 10.9852 10.9852 11.2224 11.2224 11.2986 11.2986 14.5920 14.5920 k = 0.2000 0.2000 0.2000 ( 3701 PWs) bands (ev): -46.8183 -46.8183 -42.2746 -42.2746 -24.4852 -24.4852 -22.4320 -22.4320 -22.4311 -22.4311 -14.3175 -14.3175 -14.1410 -14.1410 -14.1376 -14.1376 -9.1681 -9.1681 -8.8573 -8.8573 -8.8180 -8.8180 4.1134 4.1134 4.2806 4.2806 4.3568 4.3568 4.8635 4.8635 4.8652 4.8652 5.4454 5.4454 6.6578 6.6578 6.6739 6.6739 6.9764 6.9764 11.0633 11.0633 11.3077 11.3077 11.3840 11.3840 14.6980 14.6980 k = 0.2071 0.2071 0.2071 ( 3710 PWs) bands (ev): -46.8181 -46.8181 -42.2745 -42.2745 -24.4881 -24.4881 -22.4363 -22.4363 -22.4353 -22.4353 -14.3178 -14.3178 -14.1414 -14.1414 -14.1379 -14.1379 -9.1320 -9.1320 -8.8321 -8.8321 -8.7906 -8.7906 4.0580 4.0580 4.2124 4.2124 4.2862 4.2862 4.7748 4.7748 4.7757 4.7757 5.3660 5.3660 6.6795 6.6795 6.6959 6.6959 7.0003 7.0003 11.1420 11.1420 11.3926 11.3926 11.4691 11.4691 14.8037 14.8037 k = 0.2143 0.2143 0.2143 ( 3722 PWs) bands (ev): -46.8179 -46.8179 -42.2745 -42.2745 -24.4910 -24.4910 -22.4407 -22.4407 -22.4397 -22.4397 -14.3181 -14.3181 -14.1417 -14.1417 -14.1382 -14.1382 -9.0954 -9.0954 -8.8065 -8.8065 -8.7627 -8.7627 4.0026 4.0026 4.1436 4.1436 4.2144 4.2144 4.6854 4.6854 4.6888 4.6888 5.2865 5.2865 6.7032 6.7032 6.7200 6.7200 7.0246 7.0246 11.2212 11.2212 11.4772 11.4772 11.5539 11.5539 14.9087 14.9087 k = 0.2214 0.2214 0.2214 ( 3722 PWs) bands (ev): -46.8176 -46.8176 -42.2745 -42.2745 -24.4940 -24.4940 -22.4450 -22.4450 -22.4440 -22.4440 -14.3183 -14.3183 -14.1419 -14.1419 -14.1385 -14.1385 -9.0584 -9.0584 -8.7803 -8.7803 -8.7343 -8.7343 3.9473 3.9473 4.0745 4.0745 4.1416 4.1416 4.5972 4.5972 4.6032 4.6032 5.2070 5.2070 6.7288 6.7288 6.7460 6.7460 7.0493 7.0493 11.3009 11.3009 11.5613 11.5613 11.6382 11.6382 15.0126 15.0126 k = 0.2286 0.2286 0.2286 ( 3722 PWs) bands (ev): -46.8174 -46.8174 -42.2745 -42.2745 -24.4969 -24.4969 -22.4494 -22.4494 -22.4483 -22.4483 -14.3186 -14.3186 -14.1421 -14.1421 -14.1387 -14.1387 -9.0210 -9.0210 -8.7536 -8.7536 -8.7055 -8.7055 3.8919 3.8919 4.0055 4.0055 4.0680 4.0680 4.5105 4.5105 4.5190 4.5190 5.1277 5.1277 6.7561 6.7561 6.7736 6.7736 7.0744 7.0744 11.3811 11.3811 11.6447 11.6447 11.7221 11.7221 15.1147 15.1147 k = 0.2357 0.2357 0.2357 ( 3722 PWs) bands (ev): -46.8172 -46.8172 -42.2745 -42.2745 -24.4999 -24.4999 -22.4538 -22.4538 -22.4527 -22.4527 -14.3188 -14.3188 -14.1423 -14.1423 -14.1390 -14.1390 -8.9833 -8.9833 -8.7265 -8.7265 -8.6764 -8.6764 3.8359 3.8359 3.9374 3.9374 3.9936 3.9936 4.4254 4.4254 4.4364 4.4364 5.0486 5.0486 6.7849 6.7849 6.8026 6.8026 7.0998 7.0998 11.4616 11.4616 11.7276 11.7276 11.8054 11.8054 15.2148 15.2148 k = 0.2429 0.2429 0.2429 ( 3728 PWs) bands (ev): -46.8169 -46.8169 -42.2744 -42.2744 -24.5029 -24.5029 -22.4582 -22.4582 -22.4571 -22.4571 -14.3190 -14.3190 -14.1425 -14.1425 -14.1393 -14.1393 -8.9454 -8.9454 -8.6991 -8.6991 -8.6470 -8.6470 3.7786 3.7786 3.8709 3.8709 3.9185 3.9185 4.3424 4.3424 4.3555 4.3555 4.9699 4.9699 6.8151 6.8151 6.8330 6.8330 7.1253 7.1253 11.5425 11.5425 11.8097 11.8097 11.8879 11.8879 15.3122 15.3122 k = 0.2500 0.2500 0.2500 ( 3728 PWs) bands (ev): -46.8167 -46.8167 -42.2744 -42.2744 -24.5058 -24.5058 -22.4626 -22.4626 -22.4615 -22.4615 -14.3192 -14.3192 -14.1427 -14.1427 -14.1396 -14.1396 -8.9074 -8.9074 -8.6712 -8.6712 -8.6173 -8.6173 3.7191 3.7191 3.8073 3.8073 3.8427 3.8427 4.2614 4.2614 4.2765 4.2765 4.8917 4.8917 6.8465 6.8465 6.8646 6.8646 7.1510 7.1510 11.6236 11.6236 11.8910 11.8910 11.9698 11.9698 15.4063 15.4063 k = 0.2571 0.2571 0.2571 ( 3734 PWs) bands (ev): -46.8165 -46.8165 -42.2744 -42.2744 -24.5088 -24.5088 -22.4670 -22.4670 -22.4659 -22.4659 -14.3194 -14.3194 -14.1429 -14.1429 -14.1398 -14.1398 -8.8694 -8.8694 -8.6430 -8.6430 -8.5874 -8.5874 3.6565 3.6565 3.7477 3.7477 3.7664 3.7664 4.1828 4.1828 4.1995 4.1995 4.8139 4.8139 6.8789 6.8789 6.8972 6.8972 7.1769 7.1769 11.7049 11.7049 11.9714 11.9714 12.0508 12.0508 15.4965 15.4965 k = 0.2643 0.2643 0.2643 ( 3725 PWs) bands (ev): -46.8162 -46.8162 -42.2744 -42.2744 -24.5118 -24.5118 -22.4714 -22.4714 -22.4702 -22.4702 -14.3196 -14.3196 -14.1430 -14.1430 -14.1401 -14.1401 -8.8314 -8.8314 -8.6145 -8.6145 -8.5573 -8.5573 3.5907 3.5907 3.6898 3.6898 3.6924 3.6924 4.1066 4.1066 4.1246 4.1246 4.7368 4.7368 6.9124 6.9124 6.9308 6.9308 7.2029 7.2029 11.7862 11.7862 12.0508 12.0508 12.1310 12.1310 15.5820 15.5820 k = 0.2714 0.2714 0.2714 ( 3722 PWs) bands (ev): -46.8160 -46.8160 -42.2743 -42.2743 -24.5147 -24.5147 -22.4757 -22.4757 -22.4746 -22.4746 -14.3197 -14.3197 -14.1431 -14.1431 -14.1403 -14.1403 -8.7936 -8.7936 -8.5858 -8.5858 -8.5272 -8.5272 3.5224 3.5224 3.6130 3.6130 3.6408 3.6408 4.0328 4.0328 4.0520 4.0520 4.6605 4.6605 6.9466 6.9466 6.9650 6.9650 7.2290 7.2290 11.8676 11.8676 12.1293 12.1293 12.2101 12.2101 15.6620 15.6620 k = 0.2786 0.2786 0.2786 ( 3722 PWs) bands (ev): -46.8158 -46.8158 -42.2743 -42.2743 -24.5176 -24.5176 -22.4800 -22.4800 -22.4789 -22.4789 -14.3199 -14.3199 -14.1432 -14.1432 -14.1406 -14.1406 -8.7561 -8.7561 -8.5567 -8.5567 -8.4970 -8.4970 3.4524 3.4524 3.5361 3.5361 3.5924 3.5924 3.9616 3.9616 3.9816 3.9816 4.5850 4.5850 6.9814 6.9814 6.9999 6.9999 7.2550 7.2550 11.9489 11.9489 12.2066 12.2066 12.2882 12.2882 15.7355 15.7355 k = 0.2857 0.2857 0.2857 ( 3716 PWs) bands (ev): -46.8155 -46.8155 -42.2743 -42.2743 -24.5205 -24.5205 -22.4843 -22.4843 -22.4831 -22.4831 -14.3201 -14.3201 -14.1433 -14.1433 -14.1408 -14.1408 -8.7189 -8.7189 -8.5275 -8.5275 -8.4669 -8.4669 3.3817 3.3817 3.4593 3.4593 3.5465 3.5465 3.8929 3.8929 3.9135 3.9135 4.5106 4.5106 7.0168 7.0168 7.0353 7.0353 7.2809 7.2809 12.0300 12.0300 12.2828 12.2828 12.3653 12.3653 15.8018 15.8018 k = 0.2929 0.2929 0.2929 ( 3722 PWs) bands (ev): -46.8153 -46.8153 -42.2743 -42.2743 -24.5233 -24.5233 -22.4884 -22.4884 -22.4873 -22.4873 -14.3202 -14.3202 -14.1434 -14.1434 -14.1410 -14.1410 -8.6822 -8.6822 -8.4980 -8.4980 -8.4368 -8.4368 3.3106 3.3106 3.3829 3.3829 3.5028 3.5028 3.8268 3.8268 3.8477 3.8477 4.4371 4.4371 7.0526 7.0526 7.0710 7.0710 7.3067 7.3067 12.1108 12.1108 12.3577 12.3577 12.4411 12.4411 15.8597 15.8597 k = 0.3000 0.3000 0.3000 ( 3728 PWs) bands (ev): -46.8151 -46.8151 -42.2743 -42.2743 -24.5262 -24.5262 -22.4926 -22.4926 -22.4915 -22.4915 -14.3204 -14.3204 -14.1435 -14.1435 -14.1413 -14.1413 -8.6461 -8.6461 -8.4684 -8.4684 -8.4070 -8.4070 3.2397 3.2397 3.3071 3.3071 3.4610 3.4610 3.7631 3.7631 3.7842 3.7842 4.3649 4.3649 7.0886 7.0886 7.1070 7.1070 7.3323 7.3323 12.1911 12.1911 12.4313 12.4313 12.5156 12.5156 15.9084 15.9084 k = 0.3071 0.3071 0.3071 ( 3725 PWs) bands (ev): -46.8149 -46.8149 -42.2742 -42.2742 -24.5289 -24.5289 -22.4966 -22.4966 -22.4956 -22.4956 -14.3206 -14.3206 -14.1436 -14.1436 -14.1415 -14.1415 -8.6107 -8.6107 -8.4387 -8.4387 -8.3773 -8.3773 3.1693 3.1693 3.2320 3.2320 3.4210 3.4210 3.7020 3.7020 3.7230 3.7230 4.2940 4.2940 7.1248 7.1248 7.1431 7.1431 7.3577 7.3577 12.2710 12.2710 12.5035 12.5035 12.5889 12.5889 15.9470 15.9470 k = 0.3143 0.3143 0.3143 ( 3719 PWs) bands (ev): -46.8146 -46.8146 -42.2742 -42.2742 -24.5317 -24.5317 -22.5006 -22.5006 -22.4996 -22.4996 -14.3207 -14.3207 -14.1436 -14.1436 -14.1417 -14.1417 -8.5760 -8.5760 -8.4089 -8.4089 -8.3479 -8.3479 3.0997 3.0997 3.1580 3.1580 3.3827 3.3827 3.6433 3.6433 3.6642 3.6642 4.2244 4.2244 7.1611 7.1611 7.1792 7.1792 7.3828 7.3828 12.3502 12.3502 12.5742 12.5742 12.6607 12.6607 15.9749 15.9749 k = 0.3214 0.3214 0.3214 ( 3716 PWs) bands (ev): -46.8144 -46.8144 -42.2742 -42.2742 -24.5343 -24.5343 -22.5045 -22.5045 -22.5035 -22.5035 -14.3208 -14.3208 -14.1437 -14.1437 -14.1419 -14.1419 -8.5422 -8.5422 -8.3790 -8.3790 -8.3189 -8.3189 3.0311 3.0311 3.0852 3.0852 3.3461 3.3461 3.5869 3.5869 3.6077 3.6077 4.1563 4.1563 7.1973 7.1973 7.2152 7.2152 7.4075 7.4075 12.4285 12.4285 12.6433 12.6433 12.7310 12.7310 15.9918 15.9918 k = 0.3286 0.3286 0.3286 ( 3710 PWs) bands (ev): -46.8142 -46.8142 -42.2742 -42.2742 -24.5369 -24.5369 -22.5083 -22.5083 -22.5073 -22.5073 -14.3210 -14.3210 -14.1437 -14.1437 -14.1421 -14.1421 -8.5094 -8.5094 -8.3491 -8.3491 -8.2903 -8.2903 2.9638 2.9638 3.0138 3.0138 3.3111 3.3111 3.5329 3.5329 3.5535 3.5535 4.0899 4.0899 7.2332 7.2332 7.2510 7.2510 7.4319 7.4319 12.5059 12.5059 12.7108 12.7108 12.7998 12.7998 15.9977 15.9977 k = 0.3357 0.3357 0.3357 ( 3710 PWs) bands (ev): -46.8140 -46.8140 -42.2741 -42.2741 -24.5394 -24.5394 -22.5120 -22.5120 -22.5110 -22.5110 -14.3211 -14.3211 -14.1438 -14.1438 -14.1423 -14.1423 -8.4776 -8.4776 -8.3194 -8.3194 -8.2622 -8.2622 2.8979 2.8979 2.9439 2.9439 3.2776 3.2776 3.4813 3.4813 3.5016 3.5016 4.0252 4.0252 7.2689 7.2689 7.2864 7.2864 7.4558 7.4558 12.5822 12.5822 12.7766 12.7766 12.8669 12.8669 15.9933 15.9933 k = 0.3429 0.3429 0.3429 ( 3716 PWs) bands (ev): -46.8138 -46.8138 -42.2741 -42.2741 -24.5419 -24.5419 -22.5156 -22.5156 -22.5147 -22.5147 -14.3213 -14.3213 -14.1439 -14.1439 -14.1426 -14.1426 -8.4469 -8.4469 -8.2898 -8.2898 -8.2346 -8.2346 2.8336 2.8336 2.8759 2.8759 3.2458 3.2458 3.4319 3.4319 3.4519 3.4519 3.9623 3.9623 7.3040 7.3040 7.3214 7.3214 7.4791 7.4791 12.6572 12.6572 12.8406 12.8406 12.9322 12.9322 15.9793 15.9793 k = 0.3500 0.3500 0.3500 ( 3716 PWs) bands (ev): -46.8136 -46.8136 -42.2741 -42.2741 -24.5443 -24.5443 -22.5190 -22.5190 -22.5182 -22.5182 -14.3214 -14.3214 -14.1440 -14.1440 -14.1428 -14.1428 -8.4174 -8.4174 -8.2604 -8.2604 -8.2076 -8.2076 2.7711 2.7711 2.8097 2.8097 3.2154 3.2154 3.3847 3.3847 3.4045 3.4045 3.9014 3.9014 7.3386 7.3386 7.3558 7.3558 7.5019 7.5019 12.7307 12.7307 12.9026 12.9026 12.9957 12.9957 15.9569 15.9569 k = 0.3571 0.3571 0.3571 ( 3719 PWs) bands (ev): -46.8134 -46.8134 -42.2741 -42.2741 -24.5466 -24.5466 -22.5224 -22.5224 -22.5216 -22.5216 -14.3216 -14.3216 -14.1441 -14.1441 -14.1430 -14.1430 -8.3890 -8.3890 -8.2314 -8.2314 -8.1813 -8.1813 2.7105 2.7105 2.7457 2.7457 3.1866 3.1866 3.3398 3.3398 3.3593 3.3593 3.8426 3.8426 7.3726 7.3726 7.3895 7.3895 7.5241 7.5241 12.8026 12.8026 12.9627 12.9627 13.0574 13.0574 15.9276 15.9276 k = 0.3643 0.3643 0.3643 ( 3716 PWs) bands (ev): -46.8132 -46.8132 -42.2741 -42.2741 -24.5488 -24.5488 -22.5256 -22.5256 -22.5249 -22.5249 -14.3217 -14.3217 -14.1441 -14.1441 -14.1431 -14.1431 -8.3618 -8.3618 -8.2029 -8.2029 -8.1558 -8.1558 2.6520 2.6520 2.6839 2.6839 3.1593 3.1593 3.2971 3.2971 3.3164 3.3164 3.7859 3.7859 7.4057 7.4057 7.4224 7.4224 7.5456 7.5456 12.8727 12.8727 13.0207 13.0207 13.1170 13.1170 15.8926 15.8926 k = 0.3714 0.3714 0.3714 ( 3710 PWs) bands (ev): -46.8131 -46.8131 -42.2740 -42.2740 -24.5510 -24.5510 -22.5287 -22.5287 -22.5280 -22.5280 -14.3218 -14.3218 -14.1441 -14.1441 -14.1433 -14.1433 -8.3359 -8.3359 -8.1750 -8.1750 -8.1311 -8.1311 2.5958 2.5958 2.6245 2.6245 3.1335 3.1335 3.2566 3.2566 3.2757 3.2757 3.7315 3.7315 7.4380 7.4380 7.4545 7.4545 7.5664 7.5664 12.9407 12.9407 13.0765 13.0765 13.1746 13.1746 15.8535 15.8535 k = 0.3786 0.3786 0.3786 ( 3710 PWs) bands (ev): -46.8129 -46.8129 -42.2740 -42.2740 -24.5530 -24.5530 -22.5316 -22.5316 -22.5310 -22.5310 -14.3219 -14.3219 -14.1442 -14.1442 -14.1435 -14.1435 -8.3112 -8.3112 -8.1478 -8.1478 -8.1073 -8.1073 2.5419 2.5419 2.5675 2.5675 3.1091 3.1091 3.2183 3.2183 3.2372 3.2372 3.6794 3.6794 7.4692 7.4692 7.4854 7.4854 7.5865 7.5865 13.0065 13.0065 13.1300 13.1300 13.2299 13.2299 15.8113 15.8113 k = 0.3857 0.3857 0.3857 ( 3716 PWs) bands (ev): -46.8128 -46.8128 -42.2740 -42.2740 -24.5550 -24.5550 -22.5345 -22.5345 -22.5339 -22.5339 -14.3220 -14.3220 -14.1443 -14.1443 -14.1436 -14.1436 -8.2878 -8.2878 -8.1214 -8.1214 -8.0844 -8.0844 2.4904 2.4904 2.5132 2.5132 3.0861 3.0861 3.1822 3.1822 3.2010 3.2010 3.6298 3.6298 7.4992 7.4992 7.5153 7.5153 7.6056 7.6056 13.0698 13.0698 13.1812 13.1812 13.2831 13.2831 15.7673 15.7673 k = 0.3929 0.3929 0.3929 ( 3722 PWs) bands (ev): -46.8126 -46.8126 -42.2740 -42.2740 -24.5568 -24.5568 -22.5371 -22.5371 -22.5366 -22.5366 -14.3222 -14.3222 -14.1444 -14.1444 -14.1438 -14.1438 -8.2657 -8.2657 -8.0960 -8.0960 -8.0626 -8.0626 2.4415 2.4415 2.4616 2.4616 3.0646 3.0646 3.1483 3.1483 3.1669 3.1669 3.5827 3.5827 7.5280 7.5280 7.5439 7.5439 7.6240 7.6240 13.1305 13.1305 13.2298 13.2298 13.3338 13.3338 15.7224 15.7224 k = 0.4000 0.4000 0.4000 ( 3716 PWs) bands (ev): -46.8125 -46.8125 -42.2740 -42.2740 -24.5585 -24.5585 -22.5396 -22.5396 -22.5392 -22.5392 -14.3223 -14.3223 -14.1444 -14.1444 -14.1439 -14.1439 -8.2449 -8.2449 -8.0717 -8.0717 -8.0418 -8.0418 2.3952 2.3952 2.4128 2.4128 3.0444 3.0444 3.1165 3.1165 3.1351 3.1351 3.5384 3.5384 7.5556 7.5556 7.5713 7.5713 7.6414 7.6414 13.1884 13.1884 13.2760 13.2760 13.3822 13.3822 15.6776 15.6776 k = 0.4071 0.4071 0.4071 ( 3719 PWs) bands (ev): -46.8123 -46.8123 -42.2740 -42.2740 -24.5602 -24.5602 -22.5420 -22.5420 -22.5416 -22.5416 -14.3224 -14.3224 -14.1445 -14.1445 -14.1441 -14.1441 -8.2254 -8.2254 -8.0485 -8.0485 -8.0221 -8.0221 2.3518 2.3518 2.3670 2.3670 3.0256 3.0256 3.0870 3.0870 3.1056 3.1056 3.4968 3.4968 7.5816 7.5816 7.5972 7.5972 7.6578 7.6578 13.2432 13.2432 13.3194 13.3194 13.4279 13.4279 15.6336 15.6336 k = 0.4143 0.4143 0.4143 ( 3728 PWs) bands (ev): -46.8122 -46.8122 -42.2740 -42.2740 -24.5617 -24.5617 -22.5442 -22.5442 -22.5439 -22.5439 -14.3225 -14.3225 -14.1446 -14.1446 -14.1442 -14.1442 -8.2073 -8.2073 -8.0266 -8.0266 -8.0037 -8.0037 2.3111 2.3111 2.3241 2.3241 3.0081 3.0081 3.0596 3.0596 3.0782 3.0782 3.4579 3.4579 7.6061 7.6061 7.6215 7.6215 7.6732 7.6732 13.2947 13.2947 13.3601 13.3601 13.4711 13.4711 15.5909 15.5909 k = 0.4214 0.4214 0.4214 ( 3728 PWs) bands (ev): -46.8121 -46.8121 -42.2740 -42.2740 -24.5631 -24.5631 -22.5462 -22.5462 -22.5459 -22.5459 -14.3226 -14.3226 -14.1446 -14.1446 -14.1444 -14.1444 -8.1905 -8.1905 -8.0061 -8.0061 -7.9865 -7.9865 2.2735 2.2735 2.2844 2.2844 2.9919 2.9919 3.0343 3.0343 3.0531 3.0531 3.4220 3.4220 7.6289 7.6289 7.6443 7.6443 7.6876 7.6876 13.3427 13.3427 13.3980 13.3980 13.5114 13.5114 15.5501 15.5501 k = 0.4286 0.4286 0.4286 ( 3728 PWs) bands (ev): -46.8120 -46.8120 -42.2740 -42.2740 -24.5644 -24.5644 -22.5481 -22.5481 -22.5479 -22.5479 -14.3227 -14.3227 -14.1447 -14.1447 -14.1445 -14.1445 -8.1751 -8.1751 -7.9871 -7.9871 -7.9706 -7.9706 2.2388 2.2388 2.2479 2.2479 2.9770 2.9770 3.0113 3.0113 3.0303 3.0303 3.3890 3.3890 7.6501 7.6501 7.6655 7.6655 7.7010 7.7010 13.3871 13.3871 13.4329 13.4329 13.5489 13.5489 15.5117 15.5117 k = 0.4357 0.4357 0.4357 ( 3728 PWs) bands (ev): -46.8119 -46.8119 -42.2739 -42.2739 -24.5656 -24.5656 -22.5498 -22.5498 -22.5496 -22.5496 -14.3228 -14.3228 -14.1447 -14.1447 -14.1446 -14.1446 -8.1610 -8.1610 -7.9696 -7.9696 -7.9561 -7.9561 2.2073 2.2073 2.2146 2.2146 2.9634 2.9634 2.9905 2.9905 3.0098 3.0098 3.3591 3.3591 7.6694 7.6694 7.6848 7.6848 7.7133 7.7133 13.4276 13.4276 13.4648 13.4648 13.5834 13.5834 15.4760 15.4760 k = 0.4429 0.4429 0.4429 ( 3734 PWs) bands (ev): -46.8118 -46.8118 -42.2739 -42.2739 -24.5667 -24.5667 -22.5513 -22.5513 -22.5512 -22.5512 -14.3229 -14.3229 -14.1448 -14.1448 -14.1447 -14.1447 -8.1484 -8.1484 -7.9537 -7.9537 -7.9429 -7.9429 2.1788 2.1788 2.1847 2.1847 2.9511 2.9511 2.9718 2.9718 2.9915 2.9915 3.3322 3.3322 7.6867 7.6867 7.7023 7.7023 7.7244 7.7244 13.4642 13.4642 13.4935 13.4935 13.6148 13.6148 15.4434 15.4434 k = 0.4500 0.4500 0.4500 ( 3738 PWs) bands (ev): -46.8118 -46.8118 -42.2739 -42.2739 -24.5676 -24.5676 -22.5527 -22.5527 -22.5526 -22.5526 -14.3230 -14.3230 -14.1449 -14.1449 -14.1448 -14.1448 -8.1372 -8.1372 -7.9396 -7.9396 -7.9312 -7.9312 2.1536 2.1536 2.1581 2.1581 2.9400 2.9400 2.9553 2.9553 2.9755 2.9755 3.3084 3.3084 7.7021 7.7021 7.7180 7.7180 7.7345 7.7345 13.4967 13.4967 13.5191 13.5191 13.6430 13.6430 15.4140 15.4140 k = 0.4571 0.4571 0.4571 ( 3738 PWs) bands (ev): -46.8117 -46.8117 -42.2739 -42.2739 -24.5685 -24.5685 -22.5539 -22.5539 -22.5538 -22.5538 -14.3230 -14.3230 -14.1449 -14.1449 -14.1448 -14.1448 -8.1275 -8.1275 -7.9272 -7.9272 -7.9210 -7.9210 2.1317 2.1317 2.1350 2.1350 2.9302 2.9302 2.9410 2.9410 2.9618 2.9618 3.2877 3.2877 7.7154 7.7154 7.7316 7.7316 7.7434 7.7434 13.5250 13.5250 13.5415 13.5415 13.6677 13.6677 15.3882 15.3882 k = 0.4643 0.4643 0.4643 ( 3726 PWs) bands (ev): -46.8116 -46.8116 -42.2739 -42.2739 -24.5691 -24.5691 -22.5549 -22.5549 -22.5548 -22.5548 -14.3230 -14.3230 -14.1449 -14.1449 -14.1448 -14.1448 -8.1192 -8.1192 -7.9166 -7.9166 -7.9123 -7.9123 2.1130 2.1130 2.1153 2.1153 2.9217 2.9217 2.9290 2.9290 2.9504 2.9504 3.2703 3.2703 7.7266 7.7266 7.7433 7.7433 7.7513 7.7513 13.5491 13.5491 13.5605 13.5605 13.6890 13.6890 15.3660 15.3660 k = 0.4714 0.4714 0.4714 ( 3714 PWs) bands (ev): -46.8115 -46.8115 -42.2739 -42.2739 -24.5697 -24.5697 -22.5557 -22.5557 -22.5556 -22.5556 -14.3230 -14.3230 -14.1449 -14.1449 -14.1448 -14.1448 -8.1124 -8.1124 -7.9079 -7.9079 -7.9051 -7.9051 2.0978 2.0978 2.0992 2.0992 2.9146 2.9146 2.9191 2.9191 2.9413 2.9413 3.2560 3.2560 7.7356 7.7356 7.7529 7.7529 7.7578 7.7578 13.5689 13.5689 13.5761 13.5761 13.7066 13.7066 15.3477 15.3477 k = 0.4786 0.4786 0.4786 ( 3708 PWs) bands (ev): -46.8115 -46.8115 -42.2739 -42.2739 -24.5702 -24.5702 -22.5563 -22.5563 -22.5563 -22.5563 -14.3230 -14.3230 -14.1449 -14.1449 -14.1448 -14.1448 -8.1071 -8.1071 -7.9011 -7.9011 -7.8995 -7.8995 2.0858 2.0858 2.0866 2.0866 2.9090 2.9090 2.9114 2.9114 2.9342 2.9342 3.2448 3.2448 7.7425 7.7425 7.7604 7.7604 7.7631 7.7631 13.5843 13.5843 13.5883 13.5883 13.7204 13.7204 15.3334 15.3334 k = 0.4857 0.4857 0.4857 ( 3690 PWs) bands (ev): -46.8114 -46.8114 -42.2739 -42.2739 -24.5705 -24.5705 -22.5568 -22.5568 -22.5567 -22.5567 -14.3230 -14.3230 -14.1449 -14.1449 -14.1447 -14.1447 -8.1033 -8.1033 -7.8962 -7.8962 -7.8955 -7.8955 2.0773 2.0773 2.0777 2.0777 2.9049 2.9049 2.9059 2.9059 2.9293 2.9293 3.2369 3.2369 7.7474 7.7474 7.7659 7.7659 7.7671 7.7671 13.5953 13.5953 13.5971 13.5971 13.7303 13.7303 15.3231 15.3231 k = 0.4929 0.4929 0.4929 ( 3648 PWs) bands (ev): -46.8113 -46.8113 -42.2738 -42.2738 -24.5706 -24.5706 -22.5570 -22.5570 -22.5570 -22.5570 -14.3228 -14.3228 -14.1446 -14.1446 -14.1446 -14.1446 -8.1010 -8.1010 -7.8933 -7.8933 -7.8931 -7.8931 2.0722 2.0722 2.0723 2.0723 2.9024 2.9024 2.9027 2.9027 2.9264 2.9264 3.2322 3.2322 7.7504 7.7504 7.7692 7.7692 7.7695 7.7695 13.6019 13.6019 13.6024 13.6024 13.7363 13.7363 15.3169 15.3169 k = 0.5000 0.5000 0.5000 ( 3648 PWs) bands (ev): -46.8113 -46.8113 -42.2738 -42.2738 -24.5707 -24.5707 -22.5571 -22.5571 -22.5571 -22.5571 -14.3228 -14.3228 -14.1446 -14.1446 -14.1446 -14.1446 -8.1003 -8.1003 -7.8923 -7.8923 -7.8923 -7.8923 2.0705 2.0705 2.0705 2.0705 2.9016 2.9016 2.9016 2.9016 2.9254 2.9254 3.2306 3.2306 7.7513 7.7513 7.7703 7.7703 7.7703 7.7703 13.6041 13.6041 13.6041 13.6041 13.7383 13.7383 15.3148 15.3148 k = 0.5000 0.5000 0.5000 ( 3648 PWs) bands (ev): -46.8113 -46.8113 -42.2738 -42.2738 -24.5707 -24.5707 -22.5571 -22.5571 -22.5571 -22.5571 -14.3228 -14.3228 -14.1446 -14.1446 -14.1446 -14.1446 -8.1003 -8.1003 -7.8923 -7.8923 -7.8923 -7.8923 2.0705 2.0705 2.0705 2.0705 2.9016 2.9016 2.9016 2.9016 2.9254 2.9254 3.2306 3.2306 7.7513 7.7513 7.7703 7.7703 7.7703 7.7703 13.6041 13.6041 13.6041 13.6041 13.7383 13.7383 15.3148 15.3148 k = 0.4912 0.5000 0.4912 ( 3648 PWs) bands (ev): -46.8113 -46.8113 -42.2738 -42.2738 -24.5706 -24.5706 -22.5571 -22.5571 -22.5569 -22.5569 -14.3228 -14.3228 -14.1446 -14.1446 -14.1446 -14.1446 -8.1010 -8.1010 -7.8936 -7.8936 -7.8927 -7.8927 2.0714 2.0714 2.0732 2.0732 2.9022 2.9022 2.9029 2.9029 2.9264 2.9264 3.2322 3.2322 7.7504 7.7504 7.7691 7.7691 7.7696 7.7696 13.6016 13.6016 13.6027 13.6027 13.7363 13.7363 15.3169 15.3169 k = 0.4825 0.5000 0.4825 ( 3688 PWs) bands (ev): -46.8114 -46.8114 -42.2739 -42.2739 -24.5705 -24.5705 -22.5570 -22.5570 -22.5565 -22.5565 -14.3230 -14.3230 -14.1449 -14.1449 -14.1447 -14.1447 -8.1034 -8.1034 -7.8977 -7.8977 -7.8941 -7.8941 2.0739 2.0739 2.0811 2.0811 2.9041 2.9041 2.9067 2.9067 2.9294 2.9294 3.2369 3.2369 7.7473 7.7473 7.7654 7.7654 7.7675 7.7675 13.5940 13.5940 13.5982 13.5982 13.7303 13.7303 15.3231 15.3231 k = 0.4737 0.5000 0.4737 ( 3700 PWs) bands (ev): -46.8115 -46.8115 -42.2739 -42.2739 -24.5701 -24.5701 -22.5568 -22.5568 -22.5558 -22.5558 -14.3230 -14.3230 -14.1449 -14.1449 -14.1448 -14.1448 -8.1073 -8.1073 -7.9043 -7.9043 -7.8963 -7.8963 2.0782 2.0782 2.0944 2.0944 2.9071 2.9071 2.9127 2.9127 2.9350 2.9350 3.2450 3.2450 7.7421 7.7421 7.7597 7.7597 7.7642 7.7642 13.5813 13.5813 13.5909 13.5909 13.7206 13.7206 15.3335 15.3335 k = 0.4649 0.5000 0.4649 ( 3708 PWs) bands (ev): -46.8115 -46.8115 -42.2739 -42.2739 -24.5697 -24.5697 -22.5565 -22.5565 -22.5548 -22.5548 -14.3230 -14.3230 -14.1449 -14.1449 -14.1447 -14.1447 -8.1128 -8.1128 -7.9136 -7.9136 -7.8992 -7.8992 2.0840 2.0840 2.1129 2.1129 2.9112 2.9112 2.9205 2.9205 2.9435 2.9435 3.2564 3.2564 7.7342 7.7342 7.7520 7.7520 7.7599 7.7599 13.5635 13.5635 13.5805 13.5805 13.7073 13.7073 15.3480 15.3480 k = 0.4561 0.5000 0.4561 ( 3716 PWs) bands (ev): -46.8116 -46.8116 -42.2739 -42.2739 -24.5691 -24.5691 -22.5561 -22.5561 -22.5535 -22.5535 -14.3230 -14.3230 -14.1449 -14.1449 -14.1447 -14.1447 -8.1201 -8.1201 -7.9254 -7.9254 -7.9027 -7.9027 2.0913 2.0913 2.1367 2.1367 2.9163 2.9163 2.9296 2.9296 2.9556 2.9556 3.2711 3.2711 7.7235 7.7235 7.7426 7.7426 7.7545 7.7545 13.5404 13.5404 13.5673 13.5673 13.6910 13.6910 15.3664 15.3664 k = 0.4474 0.5000 0.4474 ( 3720 PWs) bands (ev): -46.8117 -46.8117 -42.2739 -42.2739 -24.5684 -24.5684 -22.5557 -22.5557 -22.5519 -22.5519 -14.3230 -14.3230 -14.1450 -14.1450 -14.1446 -14.1446 -8.1293 -8.1293 -7.9397 -7.9397 -7.9067 -7.9067 2.0999 2.0999 2.1656 2.1656 2.9223 2.9223 2.9398 2.9398 2.9715 2.9715 3.2895 3.2895 7.7097 7.7097 7.7315 7.7315 7.7482 7.7482 13.5120 13.5120 13.5510 13.5510 13.6718 13.6718 15.3888 15.3888 k = 0.4386 0.5000 0.4386 ( 3720 PWs) bands (ev): -46.8117 -46.8117 -42.2739 -42.2739 -24.5676 -24.5676 -22.5552 -22.5552 -22.5500 -22.5500 -14.3229 -14.3229 -14.1450 -14.1450 -14.1445 -14.1445 -8.1404 -8.1404 -7.9564 -7.9564 -7.9110 -7.9110 2.1096 2.1096 2.1996 2.1996 2.9292 2.9292 2.9514 2.9514 2.9910 2.9910 3.3114 3.3114 7.6930 7.6930 7.7189 7.7189 7.7410 7.7410 13.4783 13.4783 13.5317 13.5317 13.6504 13.6504 15.4149 15.4149 k = 0.4298 0.5000 0.4298 ( 3718 PWs) bands (ev): -46.8118 -46.8118 -42.2739 -42.2739 -24.5667 -24.5667 -22.5546 -22.5546 -22.5479 -22.5479 -14.3228 -14.3228 -14.1450 -14.1450 -14.1444 -14.1444 -8.1536 -8.1536 -7.9754 -7.9754 -7.9155 -7.9155 2.1202 2.1202 2.2386 2.2386 2.9370 2.9370 2.9643 2.9643 3.0140 3.0140 3.3372 3.3372 7.6736 7.6736 7.7045 7.7045 7.7329 7.7329 13.4393 13.4393 13.5096 13.5096 13.6271 13.6271 15.4447 15.4447 k = 0.4211 0.5000 0.4211 ( 3720 PWs) bands (ev): -46.8119 -46.8119 -42.2739 -42.2739 -24.5656 -24.5656 -22.5540 -22.5540 -22.5455 -22.5455 -14.3228 -14.3228 -14.1450 -14.1450 -14.1442 -14.1442 -8.1689 -8.1689 -7.9965 -7.9965 -7.9200 -7.9200 2.1315 2.1315 2.2825 2.2825 2.9457 2.9457 2.9789 2.9789 3.0401 3.0401 3.3668 3.3668 7.6516 7.6516 7.6883 7.6883 7.7237 7.7237 13.3951 13.3951 13.4845 13.4845 13.6021 13.6021 15.4780 15.4780 k = 0.4123 0.5000 0.4123 ( 3716 PWs) bands (ev): -46.8120 -46.8120 -42.2739 -42.2739 -24.5645 -24.5645 -22.5532 -22.5532 -22.5428 -22.5428 -14.3227 -14.3227 -14.1450 -14.1450 -14.1440 -14.1440 -8.1864 -8.1864 -8.0197 -8.0197 -7.9245 -7.9245 2.1435 2.1435 2.3312 2.3312 2.9553 2.9553 2.9950 2.9950 3.0692 3.0692 3.4005 3.4005 7.6273 7.6273 7.6703 7.6703 7.7135 7.7135 13.3460 13.3460 13.4568 13.4568 13.5757 13.5757 15.5145 15.5145 k = 0.4035 0.5000 0.4035 ( 3712 PWs) bands (ev): -46.8121 -46.8121 -42.2739 -42.2739 -24.5632 -24.5632 -22.5524 -22.5524 -22.5398 -22.5398 -14.3226 -14.3226 -14.1450 -14.1450 -14.1438 -14.1438 -8.2060 -8.2060 -8.0448 -8.0448 -7.9289 -7.9289 2.1557 2.1557 2.3845 2.3845 2.9660 2.9660 3.0127 3.0127 3.1013 3.1013 3.4383 3.4383 7.6007 7.6007 7.6503 7.6503 7.7023 7.7023 13.2921 13.2921 13.4265 13.4265 13.5481 13.5481 15.5541 15.5541 k = 0.3947 0.5000 0.3947 ( 3716 PWs) bands (ev): -46.8122 -46.8122 -42.2740 -42.2740 -24.5618 -24.5618 -22.5515 -22.5515 -22.5366 -22.5366 -14.3225 -14.3225 -14.1451 -14.1451 -14.1436 -14.1436 -8.2278 -8.2278 -8.0717 -8.0717 -7.9331 -7.9331 2.1681 2.1681 2.4424 2.4424 2.9777 2.9777 3.0321 3.0321 3.1362 3.1362 3.4803 3.4803 7.5721 7.5721 7.6284 7.6284 7.6899 7.6899 13.2337 13.2337 13.3939 13.3939 13.5193 13.5193 15.5964 15.5964 k = 0.3860 0.5000 0.3860 ( 3716 PWs) bands (ev): -46.8123 -46.8123 -42.2740 -42.2740 -24.5603 -24.5603 -22.5506 -22.5506 -22.5332 -22.5332 -14.3224 -14.3224 -14.1451 -14.1451 -14.1434 -14.1434 -8.2517 -8.2517 -8.1001 -8.1001 -7.9370 -7.9370 2.1805 2.1805 2.5046 2.5046 2.9905 2.9905 3.0532 3.0532 3.1738 3.1738 3.5265 3.5265 7.5417 7.5417 7.6046 7.6046 7.6764 7.6764 13.1712 13.1712 13.3592 13.3592 13.4895 13.4895 15.6411 15.6411 k = 0.3772 0.5000 0.3772 ( 3720 PWs) bands (ev): -46.8125 -46.8125 -42.2740 -42.2740 -24.5587 -24.5587 -22.5496 -22.5496 -22.5296 -22.5296 -14.3223 -14.3223 -14.1452 -14.1452 -14.1432 -14.1432 -8.2777 -8.2777 -8.1300 -8.1300 -7.9408 -7.9408 2.1927 2.1927 2.5711 2.5711 3.0044 3.0044 3.0758 3.0758 3.2140 3.2140 3.5771 3.5771 7.5094 7.5094 7.5788 7.5788 7.6617 7.6617 13.1047 13.1047 13.3228 13.3228 13.4587 13.4587 15.6880 15.6880 k = 0.3684 0.5000 0.3684 ( 3720 PWs) bands (ev): -46.8126 -46.8126 -42.2740 -42.2740 -24.5571 -24.5571 -22.5485 -22.5485 -22.5257 -22.5257 -14.3222 -14.3222 -14.1452 -14.1452 -14.1430 -14.1430 -8.3056 -8.3056 -8.1612 -8.1612 -7.9443 -7.9443 2.2046 2.2046 2.6417 2.6417 3.0195 3.0195 3.1000 3.1000 3.2568 3.2568 3.6320 3.6320 7.4757 7.4757 7.5510 7.5510 7.6459 7.6459 13.0346 13.0346 13.2849 13.2849 13.4269 13.4269 15.7365 15.7365 k = 0.3596 0.5000 0.3596 ( 3712 PWs) bands (ev): -46.8127 -46.8127 -42.2740 -42.2740 -24.5553 -24.5553 -22.5473 -22.5473 -22.5216 -22.5216 -14.3220 -14.3220 -14.1452 -14.1452 -14.1427 -14.1427 -8.3353 -8.3353 -8.1935 -8.1935 -7.9476 -7.9476 2.2162 2.2162 2.7163 2.7163 3.0358 3.0358 3.1259 3.1259 3.3022 3.3022 3.6911 3.6911 7.4405 7.4405 7.5213 7.5213 7.6288 7.6288 12.9611 12.9611 13.2458 13.2458 13.3943 13.3943 15.7864 15.7864 k = 0.3509 0.5000 0.3509 ( 3712 PWs) bands (ev): -46.8129 -46.8129 -42.2740 -42.2740 -24.5535 -24.5535 -22.5461 -22.5461 -22.5173 -22.5173 -14.3219 -14.3219 -14.1453 -14.1453 -14.1424 -14.1424 -8.3668 -8.3668 -8.2268 -8.2268 -7.9508 -7.9508 2.2272 2.2272 2.7945 2.7945 3.0534 3.0534 3.1533 3.1533 3.3499 3.3499 3.7544 3.7544 7.4041 7.4041 7.4895 7.4895 7.6104 7.6104 12.8846 12.8846 13.2059 13.2059 13.3608 13.3608 15.8370 15.8370 k = 0.3421 0.5000 0.3421 ( 3708 PWs) bands (ev): -46.8130 -46.8130 -42.2740 -42.2740 -24.5515 -24.5515 -22.5449 -22.5449 -22.5128 -22.5128 -14.3218 -14.3218 -14.1453 -14.1453 -14.1421 -14.1421 -8.3998 -8.3998 -8.2609 -8.2609 -7.9538 -7.9538 2.2377 2.2377 2.8763 2.8763 3.0723 3.0723 3.1823 3.1823 3.4000 3.4000 3.8217 3.8217 7.3667 7.3667 7.4558 7.4558 7.5908 7.5908 12.8052 12.8052 13.1653 13.1653 13.3266 13.3266 15.8878 15.8878 k = 0.3333 0.5000 0.3333 ( 3700 PWs) bands (ev): -46.8132 -46.8132 -42.2740 -42.2740 -24.5496 -24.5496 -22.5435 -22.5435 -22.5082 -22.5082 -14.3217 -14.3217 -14.1454 -14.1454 -14.1418 -14.1418 -8.4343 -8.4343 -8.2956 -8.2956 -7.9566 -7.9566 2.2476 2.2476 2.9614 2.9614 3.0926 3.0926 3.2128 3.2128 3.4525 3.4525 3.8928 3.8928 7.3284 7.3284 7.4201 7.4201 7.5698 7.5698 12.7233 12.7233 13.1244 13.1244 13.2917 13.2917 15.9382 15.9382 k = 0.3246 0.5000 0.3246 ( 3718 PWs) bands (ev): -46.8134 -46.8134 -42.2741 -42.2741 -24.5475 -24.5475 -22.5422 -22.5422 -22.5034 -22.5034 -14.3216 -14.3216 -14.1455 -14.1455 -14.1415 -14.1415 -8.4702 -8.4702 -8.3309 -8.3309 -7.9594 -7.9594 2.2569 2.2569 3.0492 3.0492 3.1147 3.1147 3.2448 3.2448 3.5072 3.5072 3.9675 3.9675 7.2893 7.2893 7.3823 7.3823 7.5475 7.5475 12.6390 12.6390 13.0834 13.0834 13.2562 13.2562 15.9876 15.9876 k = 0.3158 0.5000 0.3158 ( 3730 PWs) bands (ev): -46.8136 -46.8136 -42.2741 -42.2741 -24.5454 -24.5454 -22.5408 -22.5408 -22.4985 -22.4985 -14.3216 -14.3216 -14.1457 -14.1457 -14.1413 -14.1413 -8.5072 -8.5072 -8.3665 -8.3665 -7.9620 -7.9620 2.2655 2.2655 3.1298 3.1298 3.1483 3.1483 3.2783 3.2783 3.5642 3.5642 4.0458 4.0458 7.2496 7.2496 7.3426 7.3426 7.5238 7.5238 12.5525 12.5525 13.0425 13.0425 13.2203 13.2203 16.0352 16.0352 k = 0.3070 0.5000 0.3070 ( 3730 PWs) bands (ev): -46.8138 -46.8138 -42.2741 -42.2741 -24.5433 -24.5433 -22.5393 -22.5393 -22.4934 -22.4934 -14.3215 -14.3215 -14.1457 -14.1457 -14.1410 -14.1410 -8.5452 -8.5452 -8.4024 -8.4024 -7.9646 -7.9646 2.2736 2.2736 3.1595 3.1595 3.2370 3.2370 3.3133 3.3133 3.6234 3.6234 4.1273 4.1273 7.2096 7.2096 7.3009 7.3009 7.4987 7.4987 12.4641 12.4641 13.0019 13.0019 13.1840 13.1840 16.0805 16.0805 k = 0.2982 0.5000 0.2982 ( 3734 PWs) bands (ev): -46.8139 -46.8139 -42.2742 -42.2742 -24.5411 -24.5411 -22.5379 -22.5379 -22.4882 -22.4882 -14.3214 -14.3214 -14.1459 -14.1459 -14.1406 -14.1406 -8.5840 -8.5840 -8.4385 -8.4385 -7.9671 -7.9671 2.2810 2.2810 3.1857 3.1857 3.3321 3.3321 3.3508 3.3508 3.6848 3.6848 4.2118 4.2118 7.1694 7.1694 7.2572 7.2572 7.4722 7.4722 12.3740 12.3740 12.9618 12.9618 13.1475 13.1475 16.1226 16.1226 k = 0.2895 0.5000 0.2895 ( 3726 PWs) bands (ev): -46.8141 -46.8141 -42.2742 -42.2742 -24.5388 -24.5388 -22.5363 -22.5363 -22.4829 -22.4829 -14.3212 -14.3212 -14.1460 -14.1460 -14.1403 -14.1403 -8.6235 -8.6235 -8.4745 -8.4745 -7.9696 -7.9696 2.2879 2.2879 3.2130 3.2130 3.3865 3.3865 3.4331 3.4331 3.7482 3.7482 4.2991 4.2991 7.1292 7.1292 7.2117 7.2117 7.4444 7.4444 12.2823 12.2823 12.9225 12.9225 13.1109 13.1109 16.1610 16.1610 k = 0.2807 0.5000 0.2807 ( 3728 PWs) bands (ev): -46.8143 -46.8143 -42.2742 -42.2742 -24.5365 -24.5365 -22.5348 -22.5348 -22.4775 -22.4775 -14.3211 -14.3211 -14.1461 -14.1461 -14.1399 -14.1399 -8.6635 -8.6635 -8.5106 -8.5106 -7.9720 -7.9720 2.2942 2.2942 3.2417 3.2417 3.4259 3.4259 3.5339 3.5339 3.8137 3.8137 4.3890 4.3890 7.0891 7.0891 7.1642 7.1642 7.4151 7.4151 12.1891 12.1891 12.8840 12.8840 13.0742 13.0742 16.1951 16.1951 k = 0.2719 0.5000 0.2719 ( 3724 PWs) bands (ev): -46.8145 -46.8145 -42.2742 -42.2742 -24.5342 -24.5342 -22.5332 -22.5332 -22.4720 -22.4720 -14.3210 -14.3210 -14.1462 -14.1462 -14.1396 -14.1396 -8.7039 -8.7039 -8.5465 -8.5465 -7.9744 -7.9744 2.3000 2.3000 3.2719 3.2719 3.4663 3.4663 3.6366 3.6366 3.8811 3.8811 4.4811 4.4811 7.0494 7.0494 7.1149 7.1149 7.3844 7.3844 12.0947 12.0947 12.8465 12.8465 13.0377 13.0377 16.2243 16.2243 k = 0.2632 0.5000 0.2632 ( 3724 PWs) bands (ev): -46.8147 -46.8147 -42.2742 -42.2742 -24.5319 -24.5319 -22.5316 -22.5316 -22.4665 -22.4665 -14.3209 -14.3209 -14.1463 -14.1463 -14.1392 -14.1392 -8.7445 -8.7445 -8.5822 -8.5822 -7.9768 -7.9768 2.3053 2.3053 3.3036 3.3036 3.5080 3.5080 3.7408 3.7408 3.9505 3.9505 4.5753 4.5753 7.0100 7.0100 7.0639 7.0639 7.3523 7.3523 11.9992 11.9992 12.8101 12.8101 13.0014 13.0014 16.2483 16.2483 k = 0.2544 0.5000 0.2544 ( 3730 PWs) bands (ev): -46.8149 -46.8149 -42.2742 -42.2742 -24.5296 -24.5296 -22.5299 -22.5299 -22.4609 -22.4609 -14.3209 -14.3209 -14.1465 -14.1465 -14.1389 -14.1389 -8.7851 -8.7851 -8.6175 -8.6175 -7.9792 -7.9792 2.3101 2.3101 3.3368 3.3368 3.5509 3.5509 3.8461 3.8461 4.0219 4.0219 4.6713 4.6713 6.9710 6.9710 7.0114 7.0114 7.3188 7.3188 11.9027 11.9027 12.7750 12.7750 12.9654 12.9654 16.2669 16.2669 k = 0.2456 0.5000 0.2456 ( 3738 PWs) bands (ev): -46.8151 -46.8151 -42.2743 -42.2743 -24.5273 -24.5273 -22.5283 -22.5283 -22.4553 -22.4553 -14.3209 -14.3209 -14.1467 -14.1467 -14.1386 -14.1386 -8.8257 -8.8257 -8.6525 -8.6525 -7.9816 -7.9816 2.3144 2.3144 3.3716 3.3716 3.5949 3.5949 3.9518 3.9518 4.0953 4.0953 4.7688 4.7688 6.9319 6.9319 6.9582 6.9582 7.2838 7.2838 11.8053 11.8053 12.7412 12.7412 12.9299 12.9299 16.2800 16.2800 k = 0.2368 0.5000 0.2368 ( 3734 PWs) bands (ev): -46.8153 -46.8153 -42.2743 -42.2743 -24.5250 -24.5250 -22.5266 -22.5266 -22.4497 -22.4497 -14.3208 -14.3208 -14.1468 -14.1468 -14.1382 -14.1382 -8.8659 -8.8659 -8.6870 -8.6870 -7.9839 -7.9839 2.3184 2.3184 3.4079 3.4079 3.6401 3.6401 4.0571 4.0571 4.1712 4.1712 4.8677 4.8677 6.8889 6.8889 6.9082 6.9082 7.2475 7.2475 11.7073 11.7073 12.7088 12.7088 12.8949 12.8949 16.2878 16.2878 k = 0.2281 0.5000 0.2281 ( 3738 PWs) bands (ev): -46.8155 -46.8155 -42.2743 -42.2743 -24.5227 -24.5227 -22.5250 -22.5250 -22.4442 -22.4442 -14.3207 -14.3207 -14.1470 -14.1470 -14.1378 -14.1378 -8.9058 -8.9058 -8.7209 -8.7209 -7.9863 -7.9863 2.3220 2.3220 3.4459 3.4459 3.6864 3.6864 4.1607 4.1607 4.2503 4.2503 4.9676 4.9676 6.8358 6.8358 6.8681 6.8681 7.2098 7.2098 11.6086 11.6086 12.6778 12.6778 12.8606 12.8606 16.2905 16.2905 k = 0.2193 0.5000 0.2193 ( 3734 PWs) bands (ev): -46.8156 -46.8156 -42.2743 -42.2743 -24.5204 -24.5204 -22.5233 -22.5233 -22.4386 -22.4386 -14.3207 -14.3207 -14.1472 -14.1472 -14.1375 -14.1375 -8.9452 -8.9452 -8.7542 -8.7542 -7.9886 -7.9886 2.3252 2.3252 3.4853 3.4853 3.7336 3.7336 4.2604 4.2604 4.3345 4.3345 5.0684 5.0684 6.7773 6.7773 6.8334 6.8334 7.1708 7.1708 11.5094 11.5094 12.6484 12.6484 12.8271 12.8271 16.2884 16.2884 k = 0.2105 0.5000 0.2105 ( 3734 PWs) bands (ev): -46.8158 -46.8158 -42.2743 -42.2743 -24.5181 -24.5181 -22.5217 -22.5217 -22.4331 -22.4331 -14.3206 -14.3206 -14.1473 -14.1473 -14.1371 -14.1371 -8.9840 -8.9840 -8.7868 -8.7868 -7.9909 -7.9909 2.3281 2.3281 3.5264 3.5264 3.7818 3.7818 4.3535 4.3535 4.4257 4.4257 5.1697 5.1697 6.7164 6.7164 6.8014 6.8014 7.1306 7.1306 11.4099 11.4099 12.6205 12.6205 12.7944 12.7944 16.2819 16.2819 k = 0.2018 0.5000 0.2018 ( 3740 PWs) bands (ev): -46.8160 -46.8160 -42.2744 -42.2744 -24.5159 -24.5159 -22.5200 -22.5200 -22.4277 -22.4277 -14.3206 -14.3206 -14.1475 -14.1475 -14.1368 -14.1368 -9.0220 -9.0220 -8.8187 -8.8187 -7.9932 -7.9932 2.3308 2.3308 3.5690 3.5690 3.8308 3.8308 4.4399 4.4399 4.5233 4.5233 5.2713 5.2713 6.6538 6.6538 6.7718 6.7718 7.0891 7.0891 11.3102 11.3102 12.5941 12.5941 12.7627 12.7627 16.2011 16.2011 k = 0.1930 0.5000 0.1930 ( 3744 PWs) bands (ev): -46.8162 -46.8162 -42.2744 -42.2744 -24.5137 -24.5137 -22.5184 -22.5184 -22.4223 -22.4223 -14.3206 -14.3206 -14.1477 -14.1477 -14.1364 -14.1364 -9.0592 -9.0592 -8.8497 -8.8497 -7.9955 -7.9955 2.3331 2.3331 3.6132 3.6132 3.8806 3.8806 4.5222 4.5222 4.6241 4.6241 5.3730 5.3730 6.5896 6.5896 6.7447 6.7447 7.0465 7.0465 11.2103 11.2103 12.5693 12.5693 12.7320 12.7320 16.0483 16.0483 k = 0.1842 0.5000 0.1842 ( 3740 PWs) bands (ev): -46.8164 -46.8164 -42.2744 -42.2744 -24.5115 -24.5115 -22.5168 -22.5168 -22.4170 -22.4170 -14.3206 -14.3206 -14.1479 -14.1479 -14.1361 -14.1361 -9.0954 -9.0954 -8.8798 -8.8798 -7.9978 -7.9978 2.3352 2.3352 3.6589 3.6589 3.9311 3.9311 4.6023 4.6023 4.7255 4.7255 5.4746 5.4746 6.5241 6.5241 6.7205 6.7205 7.0028 7.0028 11.1106 11.1106 12.5460 12.5460 12.7024 12.7024 15.8968 15.8968 k = 0.1754 0.5000 0.1754 ( 3746 PWs) bands (ev): -46.8166 -46.8166 -42.2744 -42.2744 -24.5094 -24.5094 -22.5153 -22.5153 -22.4119 -22.4119 -14.3206 -14.3206 -14.1481 -14.1481 -14.1358 -14.1358 -9.1305 -9.1305 -8.9089 -8.9089 -8.0000 -8.0000 2.3371 2.3371 3.7062 3.7062 3.9821 3.9821 4.6810 4.6810 4.8256 4.8256 5.5757 5.5757 6.4574 6.4574 6.6993 6.6993 6.9582 6.9582 11.0110 11.0110 12.5242 12.5242 12.6740 12.6740 15.7469 15.7469 k = 0.1667 0.5000 0.1667 ( 3746 PWs) bands (ev): -46.8167 -46.8167 -42.2744 -42.2744 -24.5074 -24.5074 -22.5137 -22.5137 -22.4068 -22.4068 -14.3206 -14.3206 -14.1483 -14.1483 -14.1354 -14.1354 -9.1645 -9.1645 -8.9370 -8.9370 -8.0021 -8.0021 2.3388 2.3388 3.7550 3.7550 4.0336 4.0336 4.7587 4.7587 4.9234 4.9234 5.6761 5.6761 6.3895 6.3895 6.6817 6.6817 6.9127 6.9127 10.9119 10.9119 12.5038 12.5038 12.6468 12.6468 15.5991 15.5991 k = 0.1579 0.5000 0.1579 ( 3742 PWs) bands (ev): -46.8169 -46.8169 -42.2745 -42.2745 -24.5054 -24.5054 -22.5122 -22.5122 -22.4020 -22.4020 -14.3206 -14.3206 -14.1485 -14.1485 -14.1351 -14.1351 -9.1972 -9.1972 -8.9640 -8.9640 -8.0043 -8.0043 2.3403 2.3403 3.8053 3.8053 4.0855 4.0855 4.8352 4.8352 5.0178 5.0178 5.7757 5.7757 6.3207 6.3207 6.6680 6.6680 6.8664 6.8664 10.8133 10.8133 12.4849 12.4849 12.6209 12.6209 15.4539 15.4539 k = 0.1491 0.5000 0.1491 ( 3734 PWs) bands (ev): -46.8170 -46.8170 -42.2745 -42.2745 -24.5035 -24.5035 -22.5108 -22.5108 -22.3972 -22.3972 -14.3205 -14.3205 -14.1487 -14.1487 -14.1347 -14.1347 -9.2286 -9.2286 -8.9899 -8.9899 -8.0063 -8.0063 2.3417 2.3417 3.8570 3.8570 4.1375 4.1375 4.9105 4.9105 5.1079 5.1079 5.8739 5.8739 6.2509 6.2509 6.6586 6.6586 6.8196 6.8196 10.7155 10.7155 12.4674 12.4674 12.5964 12.5964 15.3117 15.3117 k = 0.1404 0.5000 0.1404 ( 3734 PWs) bands (ev): -46.8172 -46.8172 -42.2745 -42.2745 -24.5017 -24.5017 -22.5094 -22.5094 -22.3927 -22.3927 -14.3206 -14.3206 -14.1489 -14.1489 -14.1344 -14.1344 -9.2586 -9.2586 -9.0146 -9.0146 -8.0083 -8.0083 2.3428 2.3428 3.9101 3.9101 4.1896 4.1896 4.9842 4.9842 5.1930 5.1930 5.9705 5.9705 6.1804 6.1804 6.6539 6.6539 6.7724 6.7724 10.6187 10.6187 12.4511 12.4511 12.5733 12.5733 15.1730 15.1730 k = 0.1316 0.5000 0.1316 ( 3738 PWs) bands (ev): -46.8173 -46.8173 -42.2745 -42.2745 -24.4999 -24.4999 -22.5081 -22.5081 -22.3883 -22.3883 -14.3206 -14.3206 -14.1491 -14.1491 -14.1342 -14.1342 -9.2872 -9.2872 -9.0381 -9.0381 -8.0103 -8.0103 2.3439 2.3439 3.9646 3.9646 4.2415 4.2415 5.0559 5.0559 5.2722 5.2722 6.0644 6.0644 6.1101 6.1101 6.6544 6.6544 6.7249 6.7249 10.5233 10.5233 12.4360 12.4360 12.5517 12.5517 15.0383 15.0383 k = 0.1228 0.5000 0.1228 ( 3734 PWs) bands (ev): -46.8175 -46.8175 -42.2745 -42.2745 -24.4983 -24.4983 -22.5068 -22.5068 -22.3842 -22.3842 -14.3206 -14.3206 -14.1492 -14.1492 -14.1339 -14.1339 -9.3142 -9.3142 -9.0602 -9.0602 -8.0121 -8.0121 2.3448 2.3448 4.0204 4.0204 4.2931 4.2931 5.1255 5.1255 5.3449 5.3449 6.0368 6.0368 6.1586 6.1586 6.6602 6.6602 6.6776 6.6776 10.4296 10.4296 12.4222 12.4222 12.5317 12.5317 14.9082 14.9082 k = 0.1140 0.5000 0.1140 ( 3738 PWs) bands (ev): -46.8176 -46.8176 -42.2745 -42.2745 -24.4967 -24.4967 -22.5056 -22.5056 -22.3803 -22.3803 -14.3207 -14.3207 -14.1494 -14.1494 -14.1336 -14.1336 -9.3396 -9.3396 -9.0810 -9.0810 -8.0139 -8.0139 2.3456 2.3456 4.0774 4.0774 4.3440 4.3440 5.1923 5.1923 5.4104 5.4104 5.9649 5.9649 6.2483 6.2483 6.6301 6.6301 6.6719 6.6719 10.3378 10.3378 12.4094 12.4094 12.5131 12.5131 14.7832 14.7832 k = 0.1053 0.5000 0.1053 ( 3726 PWs) bands (ev): -46.8177 -46.8177 -42.2745 -42.2745 -24.4952 -24.4952 -22.5044 -22.5044 -22.3766 -22.3766 -14.3206 -14.3206 -14.1495 -14.1495 -14.1333 -14.1333 -9.3633 -9.3633 -9.1005 -9.1005 -8.0156 -8.0156 2.3463 2.3463 4.1356 4.1356 4.3941 4.3941 5.2561 5.2561 5.4686 5.4686 5.8926 5.8926 6.3352 6.3352 6.5834 6.5834 6.6889 6.6889 10.2485 10.2485 12.3976 12.3976 12.4962 12.4962 14.6639 14.6639 k = 0.0965 0.5000 0.0965 ( 3726 PWs) bands (ev): -46.8178 -46.8178 -42.2745 -42.2745 -24.4938 -24.4938 -22.5033 -22.5033 -22.3731 -22.3731 -14.3207 -14.3207 -14.1497 -14.1497 -14.1331 -14.1331 -9.3853 -9.3853 -9.1185 -9.1185 -8.0172 -8.0172 2.3470 2.3470 4.1948 4.1948 4.4431 4.4431 5.3162 5.3162 5.5193 5.5193 5.8204 5.8204 6.4185 6.4185 6.5376 6.5376 6.7109 6.7109 10.1621 10.1621 12.3868 12.3868 12.4808 12.4808 14.5509 14.5509 k = 0.0877 0.5000 0.0877 ( 3722 PWs) bands (ev): -46.8179 -46.8179 -42.2745 -42.2745 -24.4926 -24.4926 -22.5023 -22.5023 -22.3700 -22.3700 -14.3207 -14.3207 -14.1498 -14.1498 -14.1329 -14.1329 -9.4056 -9.4056 -9.1351 -9.1351 -8.0186 -8.0186 2.3475 2.3475 4.2550 4.2550 4.4905 4.4905 5.3722 5.3722 5.5626 5.5626 5.7486 5.7486 6.4904 6.4904 6.5003 6.5003 6.7373 6.7373 10.0792 10.0792 12.3769 12.3769 12.4671 12.4671 14.4448 14.4448 k = 0.0789 0.5000 0.0789 ( 3722 PWs) bands (ev): -46.8180 -46.8180 -42.2746 -42.2746 -24.4914 -24.4914 -22.5014 -22.5014 -22.3671 -22.3671 -14.3207 -14.3207 -14.1499 -14.1499 -14.1327 -14.1327 -9.4241 -9.4241 -9.1502 -9.1502 -8.0200 -8.0200 2.3480 2.3480 4.3159 4.3159 4.5359 4.5359 5.4231 5.4231 5.5985 5.5985 5.6783 5.6783 6.4496 6.4496 6.5726 6.5726 6.7674 6.7674 10.0004 10.0004 12.3679 12.3679 12.4549 12.4549 14.3463 14.3463 k = 0.0702 0.5000 0.0702 ( 3718 PWs) bands (ev): -46.8181 -46.8181 -42.2746 -42.2746 -24.4904 -24.4904 -22.5006 -22.5006 -22.3644 -22.3644 -14.3207 -14.3207 -14.1501 -14.1501 -14.1325 -14.1325 -9.4407 -9.4407 -9.1637 -9.1637 -8.0212 -8.0212 2.3484 2.3484 4.3773 4.3773 4.5790 4.5790 5.4676 5.4676 5.6015 5.6015 5.6371 5.6371 6.4088 6.4088 6.6414 6.6414 6.7999 6.7999 9.9265 9.9265 12.3598 12.3598 12.4442 12.4442 14.2559 14.2559 k = 0.0614 0.5000 0.0614 ( 3718 PWs) bands (ev): -46.8181 -46.8181 -42.2746 -42.2746 -24.4894 -24.4894 -22.4998 -22.4998 -22.3621 -22.3621 -14.3208 -14.3208 -14.1502 -14.1502 -14.1323 -14.1323 -9.4555 -9.4555 -9.1758 -9.1758 -8.0223 -8.0223 2.3487 2.3487 4.4389 4.4389 4.6192 4.6192 5.4942 5.4942 5.5491 5.5491 5.6595 5.6595 6.3705 6.3705 6.7038 6.7038 6.8339 6.8339 9.8581 9.8581 12.3525 12.3525 12.4350 12.4350 14.1743 14.1743 k = 0.0526 0.5000 0.0526 ( 3722 PWs) bands (ev): -46.8182 -46.8182 -42.2746 -42.2746 -24.4886 -24.4886 -22.4992 -22.4992 -22.3600 -22.3600 -14.3208 -14.3208 -14.1503 -14.1503 -14.1322 -14.1322 -9.4683 -9.4683 -9.1863 -9.1863 -8.0232 -8.0232 2.3490 2.3490 4.5002 4.5002 4.6559 4.6559 5.4529 5.4529 5.5568 5.5568 5.6811 5.6811 6.3355 6.3355 6.7587 6.7587 6.8680 6.8680 9.7962 9.7962 12.3460 12.3460 12.4273 12.4273 14.1021 14.1021 k = 0.0439 0.5000 0.0439 ( 3736 PWs) bands (ev): -46.8183 -46.8183 -42.2746 -42.2746 -24.4880 -24.4880 -22.4987 -22.4987 -22.3583 -22.3583 -14.3209 -14.3209 -14.1504 -14.1504 -14.1321 -14.1321 -9.4793 -9.4793 -9.1952 -9.1952 -8.0241 -8.0241 2.3492 2.3492 4.5605 4.5605 4.6887 4.6887 5.3890 5.3890 5.5823 5.5823 5.6998 5.6998 6.3043 6.3043 6.8053 6.8053 6.9012 6.9012 9.7417 9.7417 12.3405 12.3405 12.4209 12.4209 14.0400 14.0400 k = 0.0351 0.5000 0.0351 ( 3728 PWs) bands (ev): -46.8183 -46.8183 -42.2746 -42.2746 -24.4874 -24.4874 -22.4982 -22.4982 -22.3568 -22.3568 -14.3209 -14.3209 -14.1505 -14.1505 -14.1320 -14.1320 -9.4882 -9.4882 -9.2025 -9.2025 -8.0247 -8.0247 2.3494 2.3494 4.6186 4.6186 4.7169 4.7169 5.3261 5.3261 5.6039 5.6039 5.7157 5.7157 6.2776 6.2776 6.8432 6.8432 6.9317 6.9317 9.6954 9.6954 12.3359 12.3359 12.4158 12.4158 13.9883 13.9883 k = 0.0263 0.5000 0.0263 ( 3732 PWs) bands (ev): -46.8184 -46.8184 -42.2746 -42.2746 -24.4869 -24.4869 -22.4979 -22.4979 -22.3557 -22.3557 -14.3209 -14.3209 -14.1505 -14.1505 -14.1320 -14.1320 -9.4952 -9.4952 -9.2082 -9.2082 -8.0253 -8.0253 2.3495 2.3495 4.6721 4.6721 4.7403 4.7403 5.2677 5.2677 5.6201 5.6201 5.7287 5.7287 6.2560 6.2560 6.8723 6.8723 6.9579 6.9579 9.6583 9.6583 12.3323 12.3323 12.4119 12.4119 13.9476 13.9476 k = 0.0175 0.5000 0.0175 ( 3748 PWs) bands (ev): -46.8184 -46.8184 -42.2746 -42.2746 -24.4866 -24.4866 -22.4976 -22.4976 -22.3549 -22.3549 -14.3210 -14.3210 -14.1507 -14.1507 -14.1320 -14.1320 -9.5002 -9.5002 -9.2123 -9.2123 -8.0257 -8.0257 2.3496 2.3496 4.7166 4.7166 4.7591 4.7591 5.2178 5.2178 5.6312 5.6312 5.7385 5.7385 6.2402 6.2402 6.8928 6.8928 6.9781 6.9781 9.6312 9.6312 12.3297 12.3297 12.4091 12.4091 13.9182 13.9182 k = 0.0088 0.5000 0.0088 ( 3764 PWs) bands (ev): -46.8185 -46.8185 -42.2746 -42.2746 -24.4865 -24.4865 -22.4975 -22.4975 -22.3545 -22.3545 -14.3211 -14.3211 -14.1507 -14.1507 -14.1320 -14.1320 -9.5033 -9.5033 -9.2147 -9.2147 -8.0259 -8.0259 2.3496 2.3496 4.7447 4.7447 4.7746 4.7746 5.1825 5.1825 5.6376 5.6376 5.7446 5.7446 6.2304 6.2304 6.9050 6.9050 6.9907 6.9907 9.6146 9.6146 12.3281 12.3281 12.4075 12.4075 13.9005 13.9005 k = 0.0000 0.5000-0.0000 ( 3764 PWs) bands (ev): -46.8185 -46.8185 -42.2746 -42.2746 -24.4864 -24.4864 -22.4974 -22.4974 -22.3543 -22.3543 -14.3211 -14.3211 -14.1507 -14.1507 -14.1320 -14.1320 -9.5043 -9.5043 -9.2155 -9.2155 -8.0260 -8.0260 2.3496 2.3496 4.7531 4.7531 4.7821 4.7821 5.1694 5.1694 5.6396 5.6396 5.7466 5.7466 6.2271 6.2271 6.9090 6.9090 6.9950 6.9950 9.6091 9.6091 12.3276 12.3276 12.4069 12.4069 13.8946 13.8946 k = 0.5000 0.5000-0.0000 ( 3676 PWs) bands (ev): -46.8148 -46.8148 -42.2742 -42.2742 -24.5304 -24.5304 -22.5660 -22.5660 -22.4169 -22.4169 -14.3201 -14.3201 -14.1483 -14.1483 -14.1352 -14.1352 -9.3514 -9.3514 -8.0475 -8.0475 -7.9080 -7.9080 2.0553 2.0553 2.7223 2.7223 2.7401 2.7401 4.7928 4.7928 4.8078 4.8078 5.7982 5.7982 5.8277 5.8277 6.4107 6.4107 7.7442 7.7442 12.3629 12.3629 12.4335 12.4335 13.6185 13.6185 15.3940 15.3940 k = 0.5000 0.5000 0.0122 ( 3692 PWs) bands (ev): -46.8149 -46.8149 -42.2742 -42.2742 -24.5305 -24.5305 -22.5660 -22.5660 -22.4172 -22.4172 -14.3202 -14.3202 -14.1483 -14.1483 -14.1353 -14.1353 -9.3497 -9.3497 -8.0475 -8.0475 -7.9080 -7.9080 2.0553 2.0553 2.7226 2.7226 2.7400 2.7400 4.7839 4.7839 4.7990 4.7990 5.8075 5.8075 5.8368 5.8368 6.4034 6.4034 7.7442 7.7442 12.3639 12.3639 12.4345 12.4345 13.6186 13.6186 15.4021 15.4021 k = 0.5000 0.5000 0.0244 ( 3692 PWs) bands (ev): -46.8148 -46.8148 -42.2742 -42.2742 -24.5307 -24.5307 -22.5660 -22.5660 -22.4178 -22.4178 -14.3202 -14.3202 -14.1483 -14.1483 -14.1354 -14.1354 -9.3444 -9.3444 -8.0474 -8.0474 -7.9080 -7.9080 2.0554 2.0554 2.7234 2.7234 2.7397 2.7397 4.7582 4.7582 4.7736 4.7736 5.8343 5.8343 5.8632 5.8632 6.3820 6.3820 7.7443 7.7443 12.3670 12.3670 12.4376 12.4376 13.6187 13.6187 15.4263 15.4263 k = 0.5000 0.5000 0.0366 ( 3692 PWs) bands (ev): -46.8148 -46.8148 -42.2742 -42.2742 -24.5310 -24.5310 -22.5659 -22.5659 -22.4189 -22.4189 -14.3202 -14.3202 -14.1483 -14.1483 -14.1354 -14.1354 -9.3357 -9.3357 -8.0472 -8.0472 -7.9078 -7.9078 2.0555 2.0555 2.7247 2.7247 2.7392 2.7392 4.7181 4.7181 4.7339 4.7339 5.8761 5.8761 5.9046 5.9046 6.3467 6.3467 7.7444 7.7444 12.3722 12.3722 12.4428 12.4428 13.6190 13.6190 15.4661 15.4661 k = 0.5000 0.5000 0.0488 ( 3692 PWs) bands (ev): -46.8148 -46.8148 -42.2742 -42.2742 -24.5313 -24.5313 -22.5658 -22.5658 -22.4204 -22.4204 -14.3203 -14.3203 -14.1483 -14.1483 -14.1355 -14.1355 -9.3236 -9.3236 -8.0470 -8.0470 -7.9077 -7.9077 2.0556 2.0556 2.7265 2.7265 2.7385 2.7385 4.6668 4.6668 4.6831 4.6831 5.9299 5.9299 5.9578 5.9578 6.2979 6.2979 7.7446 7.7446 12.3795 12.3795 12.4502 12.4502 13.6193 13.6193 15.5212 15.5212 k = 0.5000 0.5000 0.0610 ( 3704 PWs) bands (ev): -46.8148 -46.8148 -42.2742 -42.2742 -24.5319 -24.5319 -22.5657 -22.5657 -22.4223 -22.4223 -14.3203 -14.3203 -14.1482 -14.1482 -14.1358 -14.1358 -9.3080 -9.3080 -8.0467 -8.0467 -7.9075 -7.9075 2.0558 2.0558 2.7289 2.7289 2.7376 2.7376 4.6072 4.6072 4.6239 4.6239 5.9924 5.9924 6.0200 6.0200 6.2365 6.2365 7.7449 7.7449 12.3888 12.3888 12.4597 12.4597 13.6198 13.6198 15.5908 15.5908 k = 0.5000 0.5000 0.0732 ( 3688 PWs) bands (ev): -46.8147 -46.8147 -42.2742 -42.2742 -24.5324 -24.5324 -22.5655 -22.5655 -22.4246 -22.4246 -14.3203 -14.3203 -14.1481 -14.1481 -14.1358 -14.1358 -9.2891 -9.2891 -8.0463 -8.0463 -7.9072 -7.9072 2.0561 2.0561 2.7317 2.7317 2.7365 2.7365 4.5417 4.5417 4.5588 4.5588 6.0608 6.0608 6.0886 6.0886 6.1639 6.1639 7.7452 7.7452 12.4004 12.4004 12.4715 12.4715 13.6204 13.6204 15.6741 15.6741 k = 0.5000 0.5000 0.0854 ( 3696 PWs) bands (ev): -46.8146 -46.8146 -42.2742 -42.2742 -24.5331 -24.5331 -22.5654 -22.5654 -22.4274 -22.4274 -14.3204 -14.3204 -14.1481 -14.1481 -14.1360 -14.1360 -9.2669 -9.2669 -8.0459 -8.0459 -7.9070 -7.9070 2.0563 2.0563 2.7350 2.7350 2.7351 2.7351 4.4723 4.4723 4.4896 4.4896 6.0752 6.0752 6.1386 6.1386 6.1618 6.1618 7.7455 7.7455 12.4142 12.4142 12.4854 12.4854 13.6210 13.6210 15.7700 15.7700 k = 0.5000 0.5000 0.0976 ( 3696 PWs) bands (ev): -46.8145 -46.8145 -42.2742 -42.2742 -24.5340 -24.5340 -22.5652 -22.5652 -22.4304 -22.4304 -14.3204 -14.3204 -14.1480 -14.1480 -14.1362 -14.1362 -9.2416 -9.2416 -8.0454 -8.0454 -7.9066 -7.9066 2.0566 2.0566 2.7333 2.7333 2.7389 2.7389 4.4002 4.4002 4.4178 4.4178 5.9826 5.9826 6.2135 6.2135 6.2380 6.2380 7.7459 7.7459 12.4302 12.4302 12.5017 12.5017 13.6217 13.6217 15.8776 15.8776 k = 0.5000 0.5000 0.1098 ( 3704 PWs) bands (ev): -46.8145 -46.8145 -42.2742 -42.2742 -24.5349 -24.5349 -22.5650 -22.5650 -22.4338 -22.4338 -14.3205 -14.3205 -14.1480 -14.1480 -14.1365 -14.1365 -9.2132 -9.2132 -8.0449 -8.0449 -7.9063 -7.9063 2.0570 2.0570 2.7312 2.7312 2.7431 2.7431 4.3267 4.3267 4.3445 4.3445 5.8795 5.8795 6.2918 6.2918 6.3160 6.3160 7.7464 7.7464 12.4485 12.4485 12.5202 12.5202 13.6225 13.6225 15.9957 15.9957 k = 0.5000 0.5000 0.1220 ( 3696 PWs) bands (ev): -46.8144 -46.8144 -42.2742 -42.2742 -24.5358 -24.5358 -22.5648 -22.5648 -22.4376 -22.4376 -14.3206 -14.3206 -14.1479 -14.1479 -14.1367 -14.1367 -9.1819 -9.1819 -8.0443 -8.0443 -7.9059 -7.9059 2.0574 2.0574 2.7287 2.7287 2.7477 2.7477 4.2525 4.2525 4.2704 4.2704 5.7685 5.7685 6.3713 6.3713 6.3951 6.3951 7.7469 7.7469 12.4691 12.4691 12.5412 12.5412 13.6235 13.6235 16.1233 16.1233 k = 0.5000 0.5000 0.1341 ( 3704 PWs) bands (ev): -46.8143 -46.8143 -42.2742 -42.2742 -24.5369 -24.5369 -22.5645 -22.5645 -22.4416 -22.4416 -14.3207 -14.3207 -14.1478 -14.1478 -14.1370 -14.1370 -9.1478 -9.1478 -8.0436 -8.0436 -7.9054 -7.9054 2.0578 2.0578 2.7258 2.7258 2.7528 2.7528 4.1782 4.1782 4.1962 4.1962 5.6506 5.6506 6.4512 6.4512 6.4745 6.4745 7.7474 7.7474 12.4922 12.4922 12.5646 12.5646 13.6244 13.6244 16.2591 16.2591 k = 0.5000 0.5000 0.1463 ( 3704 PWs) bands (ev): -46.8142 -46.8142 -42.2742 -42.2742 -24.5381 -24.5381 -22.5643 -22.5643 -22.4459 -22.4459 -14.3207 -14.3207 -14.1477 -14.1477 -14.1373 -14.1373 -9.1110 -9.1110 -8.0428 -8.0428 -7.9050 -7.9050 2.0582 2.0582 2.7224 2.7224 2.7582 2.7582 4.1043 4.1043 4.1223 4.1223 5.5271 5.5271 6.5307 6.5307 6.5536 6.5536 7.7480 7.7480 12.5177 12.5177 12.5904 12.5904 13.6255 13.6255 16.4021 16.4021 k = 0.5000 0.5000 0.1585 ( 3704 PWs) bands (ev): -46.8141 -46.8141 -42.2741 -42.2741 -24.5393 -24.5393 -22.5640 -22.5640 -22.4504 -22.4504 -14.3208 -14.3208 -14.1476 -14.1476 -14.1376 -14.1376 -9.0717 -9.0717 -8.0420 -8.0420 -7.9045 -7.9045 2.0587 2.0587 2.7183 2.7183 2.7639 2.7639 4.0311 4.0311 4.0492 4.0492 5.3991 5.3991 6.6095 6.6095 6.6319 6.6319 7.7486 7.7486 12.5456 12.5456 12.6188 12.6188 13.6267 13.6267 16.5511 16.5511 k = 0.5000 0.5000 0.1707 ( 3696 PWs) bands (ev): -46.8140 -46.8140 -42.2741 -42.2741 -24.5406 -24.5406 -22.5637 -22.5637 -22.4552 -22.4552 -14.3209 -14.3209 -14.1474 -14.1474 -14.1379 -14.1379 -9.0300 -9.0300 -8.0411 -8.0411 -7.9040 -7.9040 2.0592 2.0592 2.7136 2.7136 2.7700 2.7700 3.9591 3.9591 3.9772 3.9772 5.2676 5.2676 6.6871 6.6871 6.7090 6.7090 7.7493 7.7493 12.5760 12.5760 12.6496 12.6496 13.6279 13.6279 16.5319 16.5319 k = 0.5000 0.5000 0.1829 ( 3716 PWs) bands (ev): -46.8139 -46.8139 -42.2741 -42.2741 -24.5419 -24.5419 -22.5634 -22.5634 -22.4601 -22.4601 -14.3211 -14.3211 -14.1474 -14.1474 -14.1383 -14.1383 -8.9863 -8.9863 -8.0401 -8.0401 -7.9034 -7.9034 2.0597 2.0597 2.7081 2.7081 2.7763 2.7763 3.8884 3.8884 3.9064 3.9064 5.1336 5.1336 6.7631 6.7631 6.7845 6.7845 7.7499 7.7499 12.6088 12.6088 12.6828 12.6828 13.6291 13.6291 16.4624 16.4624 k = 0.5000 0.5000 0.1951 ( 3716 PWs) bands (ev): -46.8138 -46.8138 -42.2741 -42.2741 -24.5433 -24.5433 -22.5631 -22.5631 -22.4652 -22.4652 -14.3212 -14.3212 -14.1473 -14.1473 -14.1387 -14.1387 -8.9406 -8.9406 -8.0391 -8.0391 -7.9029 -7.9029 2.0603 2.0603 2.7017 2.7017 2.7828 2.7828 3.8193 3.8193 3.8373 3.8373 4.9982 4.9982 6.8373 6.8373 6.8582 6.8582 7.7507 7.7507 12.6441 12.6441 12.7185 12.7185 13.6305 13.6305 16.3925 16.3925 k = 0.5000 0.5000 0.2073 ( 3716 PWs) bands (ev): -46.8137 -46.8137 -42.2741 -42.2741 -24.5448 -24.5448 -22.5628 -22.5628 -22.4704 -22.4704 -14.3213 -14.3213 -14.1471 -14.1471 -14.1390 -14.1390 -8.8932 -8.8932 -8.0379 -8.0379 -7.9023 -7.9023 2.0608 2.0608 2.6941 2.6941 2.7896 2.7896 3.7519 3.7519 3.7698 3.7698 4.8624 4.8624 6.9093 6.9093 6.9297 6.9297 7.7514 7.7514 12.6818 12.6818 12.7566 12.7566 13.6319 13.6319 16.3224 16.3224 k = 0.5000 0.5000 0.2195 ( 3712 PWs) bands (ev): -46.8135 -46.8135 -42.2741 -42.2741 -24.5463 -24.5463 -22.5624 -22.5624 -22.4757 -22.4757 -14.3213 -14.3213 -14.1470 -14.1470 -14.1393 -14.1393 -8.8444 -8.8444 -8.0367 -8.0367 -7.9017 -7.9017 2.0614 2.0614 2.6854 2.6854 2.7965 2.7965 3.6864 3.6864 3.7043 3.7043 4.7271 4.7271 6.9791 6.9791 6.9990 6.9990 7.7521 7.7521 12.7217 12.7217 12.7970 12.7970 13.6333 13.6333 16.2527 16.2527 k = 0.5000 0.5000 0.2317 ( 3712 PWs) bands (ev): -46.8134 -46.8134 -42.2741 -42.2741 -24.5478 -24.5478 -22.5621 -22.5621 -22.4811 -22.4811 -14.3214 -14.3214 -14.1469 -14.1469 -14.1397 -14.1397 -8.7943 -8.7943 -8.0353 -8.0353 -7.9011 -7.9011 2.0619 2.0619 2.6751 2.6751 2.8035 2.8035 3.6230 3.6230 3.6408 3.6408 4.5933 4.5933 7.0463 7.0463 7.0657 7.0657 7.7529 7.7529 12.7639 12.7639 12.8395 12.8395 13.6348 13.6348 16.1837 16.1837 k = 0.5000 0.5000 0.2439 ( 3704 PWs) bands (ev): -46.8132 -46.8132 -42.2741 -42.2741 -24.5493 -24.5493 -22.5617 -22.5617 -22.4865 -22.4865 -14.3215 -14.3215 -14.1467 -14.1467 -14.1400 -14.1400 -8.7434 -8.7434 -8.0339 -8.0339 -7.9005 -7.9005 2.0625 2.0625 2.6632 2.6632 2.8106 2.8106 3.5618 3.5618 3.5795 3.5795 4.4620 4.4620 7.1108 7.1108 7.1296 7.1296 7.7537 7.7537 12.8081 12.8081 12.8840 12.8840 13.6364 13.6364 16.1158 16.1158 k = 0.5000 0.5000 0.2561 ( 3700 PWs) bands (ev): -46.8131 -46.8131 -42.2740 -42.2740 -24.5508 -24.5508 -22.5614 -22.5614 -22.4918 -22.4918 -14.3216 -14.3216 -14.1465 -14.1465 -14.1404 -14.1404 -8.6918 -8.6918 -8.0322 -8.0322 -7.8999 -7.8999 2.0631 2.0631 2.6493 2.6493 2.8178 2.8178 3.5029 3.5029 3.5205 3.5205 4.3341 4.3341 7.1724 7.1724 7.1908 7.1908 7.7544 7.7544 12.8541 12.8541 12.9304 12.9304 13.6380 13.6380 16.0492 16.0492 k = 0.5000 0.5000 0.2683 ( 3724 PWs) bands (ev): -46.8130 -46.8130 -42.2741 -42.2741 -24.5524 -24.5524 -22.5611 -22.5611 -22.4972 -22.4972 -14.3218 -14.3218 -14.1465 -14.1465 -14.1409 -14.1409 -8.6400 -8.6400 -8.0304 -8.0304 -7.8993 -7.8993 2.0637 2.0637 2.6330 2.6330 2.8249 2.8249 3.4462 3.4462 3.4638 3.4638 4.2106 4.2106 7.2310 7.2310 7.2489 7.2489 7.7552 7.7552 12.9017 12.9017 12.9783 12.9783 13.6397 13.6397 15.9843 15.9843 k = 0.5000 0.5000 0.2805 ( 3716 PWs) bands (ev): -46.8129 -46.8129 -42.2740 -42.2740 -24.5539 -24.5539 -22.5607 -22.5607 -22.5024 -22.5024 -14.3219 -14.3219 -14.1464 -14.1464 -14.1412 -14.1412 -8.5882 -8.5882 -8.0284 -8.0284 -7.8987 -7.8987 2.0643 2.0643 2.6141 2.6141 2.8320 2.8320 3.3922 3.3922 3.4096 3.4096 4.0924 4.0924 7.2866 7.2866 7.3040 7.3040 7.7559 7.7559 12.9508 12.9508 13.0275 13.0275 13.6414 13.6414 15.9213 15.9213 k = 0.5000 0.5000 0.2927 ( 3716 PWs) bands (ev): -46.8128 -46.8128 -42.2740 -42.2740 -24.5554 -24.5554 -22.5604 -22.5604 -22.5076 -22.5076 -14.3220 -14.3220 -14.1462 -14.1462 -14.1415 -14.1415 -8.5368 -8.5368 -8.0260 -8.0260 -7.8981 -7.8981 2.0648 2.0648 2.5923 2.5923 2.8390 2.8390 3.3406 3.3406 3.3579 3.3579 3.9805 3.9805 7.3390 7.3390 7.3560 7.3560 7.7567 7.7567 13.0009 13.0009 13.0777 13.0777 13.6432 13.6432 15.8605 15.8605 k = 0.5000 0.5000 0.3049 ( 3716 PWs) bands (ev): -46.8126 -46.8126 -42.2740 -42.2740 -24.5569 -24.5569 -22.5601 -22.5601 -22.5126 -22.5126 -14.3221 -14.3221 -14.1461 -14.1461 -14.1419 -14.1419 -8.4862 -8.4862 -8.0234 -8.0234 -7.8976 -7.8976 2.0654 2.0654 2.5673 2.5673 2.8459 2.8459 3.2916 3.2916 3.3089 3.3089 3.8758 3.8758 7.3883 7.3883 7.4049 7.4049 7.7574 7.7574 13.0518 13.0518 13.1285 13.1285 13.6451 13.6451 15.8020 15.8020 k = 0.5000 0.5000 0.3171 ( 3716 PWs) bands (ev): -46.8125 -46.8125 -42.2740 -42.2740 -24.5584 -24.5584 -22.5598 -22.5598 -22.5174 -22.5174 -14.3222 -14.3222 -14.1460 -14.1460 -14.1422 -14.1422 -8.4368 -8.4368 -8.0203 -8.0203 -7.8970 -7.8970 2.0659 2.0659 2.5388 2.5388 2.8526 2.8526 3.2454 3.2454 3.2625 3.2625 3.7791 3.7791 7.4344 7.4344 7.4505 7.4505 7.7582 7.7582 13.1030 13.1030 13.1795 13.1795 13.6472 13.6472 15.7462 15.7462 k = 0.5000 0.5000 0.3293 ( 3716 PWs) bands (ev): -46.8124 -46.8124 -42.2740 -42.2740 -24.5598 -24.5598 -22.5595 -22.5595 -22.5221 -22.5221 -14.3223 -14.3223 -14.1458 -14.1458 -14.1425 -14.1425 -8.3892 -8.3892 -8.0166 -8.0166 -7.8965 -7.8965 2.0664 2.0664 2.5067 2.5067 2.8590 2.8590 3.2018 3.2018 3.2189 3.2189 3.6909 3.6909 7.4772 7.4772 7.4930 7.4930 7.7589 7.7589 13.1542 13.1542 13.2302 13.2302 13.6494 13.6494 15.6932 15.6932 k = 0.5000 0.5000 0.3415 ( 3716 PWs) bands (ev): -46.8123 -46.8123 -42.2740 -42.2740 -24.5612 -24.5612 -22.5592 -22.5592 -22.5266 -22.5266 -14.3224 -14.3224 -14.1457 -14.1457 -14.1428 -14.1428 -8.3438 -8.3438 -8.0122 -8.0122 -7.8959 -7.8959 2.0669 2.0669 2.4712 2.4712 2.8652 2.8652 3.1611 3.1611 3.1781 3.1781 3.6118 3.6118 7.5168 7.5168 7.5323 7.5323 7.7596 7.7596 13.2049 13.2049 13.2801 13.2801 13.6518 13.6518 15.6431 15.6431 k = 0.5000 0.5000 0.3537 ( 3720 PWs) bands (ev): -46.8122 -46.8122 -42.2740 -42.2740 -24.5625 -24.5625 -22.5589 -22.5589 -22.5309 -22.5309 -14.3225 -14.3225 -14.1456 -14.1456 -14.1431 -14.1431 -8.3012 -8.3012 -8.0068 -8.0068 -7.8954 -7.8954 2.0674 2.0674 2.4326 2.4326 2.8711 2.8711 3.1232 3.1232 3.1401 3.1401 3.5418 3.5418 7.5533 7.5533 7.5684 7.5684 7.7603 7.7603 13.2546 13.2546 13.3287 13.3287 13.6545 13.6545 15.5961 15.5961 k = 0.5000 0.5000 0.3659 ( 3712 PWs) bands (ev): -46.8121 -46.8121 -42.2739 -42.2739 -24.5637 -24.5637 -22.5586 -22.5586 -22.5348 -22.5348 -14.3226 -14.3226 -14.1455 -14.1455 -14.1434 -14.1434 -8.2620 -8.2620 -8.0003 -8.0003 -7.8950 -7.8950 2.0679 2.0679 2.3916 2.3916 2.8767 2.8767 3.0882 3.0882 3.1051 3.1051 3.4810 3.4810 7.5865 7.5865 7.6014 7.6014 7.7609 7.7609 13.3030 13.3030 13.3753 13.3753 13.6577 13.6577 15.5524 15.5524 k = 0.5000 0.5000 0.3780 ( 3720 PWs) bands (ev): -46.8120 -46.8120 -42.2739 -42.2739 -24.5649 -24.5649 -22.5584 -22.5584 -22.5385 -22.5385 -14.3227 -14.3227 -14.1454 -14.1454 -14.1437 -14.1437 -8.2269 -8.2269 -7.9922 -7.9922 -7.8945 -7.8945 2.0683 2.0683 2.3491 2.3491 2.8819 2.8819 3.0561 3.0561 3.0730 3.0730 3.4286 3.4286 7.6166 7.6166 7.6313 7.6313 7.7616 7.7616 13.3493 13.3493 13.4193 13.4193 13.6615 13.6615 15.5121 15.5121 k = 0.5000 0.5000 0.3902 ( 3716 PWs) bands (ev): -46.8119 -46.8119 -42.2739 -42.2739 -24.5659 -24.5659 -22.5582 -22.5582 -22.5420 -22.5420 -14.3228 -14.3228 -14.1453 -14.1453 -14.1439 -14.1439 -8.1963 -8.1963 -7.9824 -7.9824 -7.8941 -7.8941 2.0687 2.0687 2.3060 2.3060 2.8866 2.8866 3.0269 3.0269 3.0439 3.0439 3.3843 3.3843 7.6437 7.6437 7.6582 7.6582 7.7622 7.7622 13.3933 13.3933 13.4598 13.4598 13.6661 13.6661 15.4753 15.4753 k = 0.5000 0.5000 0.4024 ( 3716 PWs) bands (ev): -46.8118 -46.8118 -42.2739 -42.2739 -24.5669 -24.5669 -22.5580 -22.5580 -22.5451 -22.5451 -14.3228 -14.3228 -14.1452 -14.1452 -14.1441 -14.1441 -8.1708 -8.1708 -7.9709 -7.9709 -7.8938 -7.8938 2.0690 2.0690 2.2637 2.2637 2.8909 2.8909 3.0007 3.0007 3.0179 3.0179 3.3472 3.3472 7.6676 7.6676 7.6820 7.6820 7.7628 7.7628 13.4342 13.4342 13.4960 13.4960 13.6720 13.6720 15.4421 15.4421 k = 0.5000 0.5000 0.4146 ( 3720 PWs) bands (ev): -46.8117 -46.8117 -42.2739 -42.2739 -24.5678 -24.5678 -22.5578 -22.5578 -22.5479 -22.5479 -14.3229 -14.3229 -14.1451 -14.1451 -14.1444 -14.1444 -8.1502 -8.1502 -7.9579 -7.9579 -7.8934 -7.8934 2.0694 2.0694 2.2232 2.2232 2.8946 2.8946 2.9776 2.9776 2.9949 2.9949 3.3166 3.3166 7.6885 7.6885 7.7029 7.7029 7.7635 7.7635 13.4718 13.4718 13.5271 13.5271 13.6795 13.6795 15.4126 15.4126 k = 0.5000 0.5000 0.4268 ( 3720 PWs) bands (ev): -46.8117 -46.8117 -42.2739 -42.2739 -24.5685 -24.5685 -22.5576 -22.5576 -22.5503 -22.5503 -14.3230 -14.3230 -14.1451 -14.1451 -14.1445 -14.1445 -8.1342 -8.1342 -7.9441 -7.9441 -7.8931 -7.8931 2.0696 2.0696 2.1858 2.1858 2.8977 2.8977 2.9574 2.9574 2.9751 2.9751 3.2917 3.2917 7.7063 7.7063 7.7209 7.7209 7.7642 7.7642 13.5054 13.5054 13.5523 13.5523 13.6889 13.6889 15.3868 15.3868 k = 0.5000 0.5000 0.4390 ( 3720 PWs) bands (ev): -46.8116 -46.8116 -42.2739 -42.2739 -24.5692 -24.5692 -22.5575 -22.5575 -22.5524 -22.5524 -14.3230 -14.3230 -14.1450 -14.1450 -14.1447 -14.1447 -8.1222 -8.1222 -7.9304 -7.9304 -7.8929 -7.8929 2.0699 2.0699 2.1523 2.1523 2.9002 2.9002 2.9404 2.9404 2.9586 2.9586 3.2718 3.2718 7.7211 7.7211 7.7360 7.7360 7.7650 7.7650 13.5346 13.5346 13.5714 13.5714 13.6998 13.6998 15.3649 15.3649 k = 0.5000 0.5000 0.4512 ( 3712 PWs) bands (ev): -46.8115 -46.8115 -42.2739 -42.2739 -24.5697 -24.5697 -22.5573 -22.5573 -22.5541 -22.5541 -14.3230 -14.3230 -14.1449 -14.1449 -14.1448 -14.1448 -8.1135 -8.1135 -7.9178 -7.9178 -7.8927 -7.8927 2.0701 2.0701 2.1238 2.1238 2.9018 2.9018 2.9264 2.9264 2.9455 2.9455 3.2563 3.2563 7.7329 7.7329 7.7484 7.7484 7.7660 7.7660 13.5592 13.5592 13.5851 13.5851 13.7113 13.7113 15.3469 15.3469 k = 0.5000 0.5000 0.4634 ( 3712 PWs) bands (ev): -46.8115 -46.8115 -42.2739 -42.2739 -24.5702 -24.5702 -22.5572 -22.5572 -22.5554 -22.5554 -14.3231 -14.3231 -14.1449 -14.1449 -14.1449 -14.1449 -8.1074 -8.1074 -7.9071 -7.9071 -7.8925 -7.8925 2.0702 2.0702 2.1009 2.1009 2.9026 2.9026 2.9155 2.9155 2.9358 2.9358 3.2447 3.2447 7.7415 7.7415 7.7579 7.7579 7.7672 7.7672 13.5786 13.5786 13.5942 13.5942 13.7221 13.7221 15.3329 15.3329 k = 0.5000 0.5000 0.4756 ( 3680 PWs) bands (ev): -46.8114 -46.8114 -42.2738 -42.2738 -24.5705 -24.5705 -22.5572 -22.5572 -22.5564 -22.5564 -14.3230 -14.3230 -14.1448 -14.1448 -14.1447 -14.1447 -8.1033 -8.1033 -7.8990 -7.8990 -7.8924 -7.8924 2.0704 2.0704 2.0841 2.0841 2.9024 2.9024 2.9078 2.9078 2.9296 2.9296 3.2368 3.2368 7.7473 7.7473 7.7648 7.7648 7.7686 7.7686 13.5927 13.5927 13.6000 13.6000 13.7308 13.7308 15.3228 15.3228 k = 0.5000 0.5000 0.4878 ( 3648 PWs) bands (ev): -46.8113 -46.8113 -42.2738 -42.2738 -24.5706 -24.5706 -22.5571 -22.5571 -22.5569 -22.5569 -14.3228 -14.3228 -14.1446 -14.1446 -14.1446 -14.1446 -8.1010 -8.1010 -7.8940 -7.8940 -7.8923 -7.8923 2.0705 2.0705 2.0739 2.0739 2.9019 2.9019 2.9031 2.9031 2.9264 2.9264 3.2321 3.2321 7.7504 7.7504 7.7689 7.7689 7.7698 7.7698 13.6013 13.6013 13.6031 13.6031 13.7364 13.7364 15.3168 15.3168 k = 0.5000 0.5000 0.5000 ( 3648 PWs) bands (ev): -46.8113 -46.8113 -42.2738 -42.2738 -24.5707 -24.5707 -22.5571 -22.5571 -22.5571 -22.5571 -14.3228 -14.3228 -14.1446 -14.1446 -14.1446 -14.1446 -8.1003 -8.1003 -7.8923 -7.8923 -7.8923 -7.8923 2.0705 2.0705 2.0705 2.0705 2.9016 2.9016 2.9016 2.9016 2.9254 2.9254 3.2306 3.2306 7.7513 7.7513 7.7703 7.7703 7.7703 7.7703 13.6041 13.6041 13.6041 13.6041 13.7383 13.7383 15.3148 15.3148 Writing output data file NaNbO3.save init_run : 0.17s CPU 0.39s WALL ( 1 calls) electrons : 101.70s CPU 103.57s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 101.70s CPU 103.56s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.02s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.04s WALL ( 313 calls) cegterg : 92.62s CPU 94.05s WALL ( 328 calls) Called by sum_band: Called by *egterg: h_psi : 55.02s CPU 55.88s WALL ( 5530 calls) s_psi : 1.64s CPU 1.84s WALL ( 5530 calls) g_psi : 0.21s CPU 0.16s WALL ( 4889 calls) cdiaghg : 33.66s CPU 34.21s WALL ( 5202 calls) cegterg:over : 3.59s CPU 3.67s WALL ( 4889 calls) cegterg:upda : 2.84s CPU 2.79s WALL ( 4889 calls) cegterg:last : 1.78s CPU 1.82s WALL ( 954 calls) cdiaghg:chol : 1.96s CPU 1.88s WALL ( 5202 calls) cdiaghg:inve : 1.18s CPU 1.25s WALL ( 5202 calls) cdiaghg:para : 1.94s CPU 1.94s WALL ( 10404 calls) Called by h_psi: h_psi:vloc : 49.82s CPU 50.93s WALL ( 5530 calls) h_psi:vnl : 5.04s CPU 4.81s WALL ( 5530 calls) add_vuspsi : 2.29s CPU 2.23s WALL ( 5530 calls) General routines calbec : 2.72s CPU 2.56s WALL ( 5530 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 47.10s CPU 48.01s WALL ( 611644 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.17s CPU 0.17s WALL ( 626 calls) Parallel routines fft_scatter : 17.08s CPU 17.30s WALL ( 611667 calls) PWSCF : 1m55.33s CPU 2m 9.37s WALL This run was terminated on: 20:56:47 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=