Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 13:32:31 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: ./K3AuO.save/ file K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized file Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D 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 92 40 11 3982 1166 182 Max 93 41 13 3988 1181 188 Sum 3313 1473 429 143473 42211 6667 bravais-lattice index = 14 lattice parameter (alat) = 9.9022 a.u. unit-cell volume = 970.9355 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 44.00 number of Kohn-Sham states= 52 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 424.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.902164 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 K read from file: /users/gautes/Pseudo/K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3dd1b7807415f540a701f2a402ca1bb0 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 1165 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 Au read from file: /users/gautes/Pseudo/Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d39daeb1f194fdf5670f47ad6d8ea3dd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) K 9.00 39.09830 K( 1.00) Au 11.00 196.96660 Au( 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= 234 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042735 k( 2) = ( 0.0000000 0.0166667 -0.0000000), wk = 0.0042735 k( 3) = ( 0.0000000 0.0333333 -0.0000000), wk = 0.0042735 k( 4) = ( 0.0000000 0.0500000 -0.0000000), wk = 0.0042735 k( 5) = ( 0.0000000 0.0666667 -0.0000000), wk = 0.0042735 k( 6) = ( 0.0000000 0.0833333 -0.0000000), wk = 0.0042735 k( 7) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0042735 k( 8) = ( 0.0000000 0.1166667 -0.0000000), wk = 0.0042735 k( 9) = ( 0.0000000 0.1333333 -0.0000000), wk = 0.0042735 k( 10) = ( 0.0000000 0.1500000 -0.0000000), wk = 0.0042735 k( 11) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0042735 k( 12) = ( 0.0000000 0.1833333 -0.0000000), wk = 0.0042735 k( 13) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0042735 k( 14) = ( 0.0000000 0.2166667 -0.0000000), wk = 0.0042735 k( 15) = ( 0.0000000 0.2333333 -0.0000000), wk = 0.0042735 k( 16) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0042735 k( 17) = ( 0.0000000 0.2666667 -0.0000000), wk = 0.0042735 k( 18) = ( 0.0000000 0.2833333 -0.0000000), wk = 0.0042735 k( 19) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0042735 k( 20) = ( 0.0000000 0.3166667 -0.0000000), wk = 0.0042735 k( 21) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0042735 k( 22) = ( 0.0000000 0.3500000 -0.0000000), wk = 0.0042735 k( 23) = ( 0.0000000 0.3666667 -0.0000000), wk = 0.0042735 k( 24) = ( 0.0000000 0.3833333 -0.0000000), wk = 0.0042735 k( 25) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0042735 k( 26) = ( 0.0000000 0.4166667 -0.0000000), wk = 0.0042735 k( 27) = ( 0.0000000 0.4333333 -0.0000000), wk = 0.0042735 k( 28) = ( 0.0000000 0.4500000 -0.0000000), wk = 0.0042735 k( 29) = ( 0.0000000 0.4666667 -0.0000000), wk = 0.0042735 k( 30) = ( 0.0000000 0.4833333 -0.0000000), wk = 0.0042735 k( 31) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0042735 k( 32) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0042735 k( 33) = ( 0.0166667 0.5000000 -0.0000000), wk = 0.0042735 k( 34) = ( 0.0333333 0.5000000 -0.0000000), wk = 0.0042735 k( 35) = ( 0.0500000 0.5000000 -0.0000000), wk = 0.0042735 k( 36) = ( 0.0666667 0.5000000 -0.0000000), wk = 0.0042735 k( 37) = ( 0.0833333 0.5000000 -0.0000000), wk = 0.0042735 k( 38) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0042735 k( 39) = ( 0.1166667 0.5000000 -0.0000000), wk = 0.0042735 k( 40) = ( 0.1333333 0.5000000 -0.0000000), wk = 0.0042735 k( 41) = ( 0.1500000 0.5000000 -0.0000000), wk = 0.0042735 k( 42) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0042735 k( 43) = ( 0.1833333 0.5000000 -0.0000000), wk = 0.0042735 k( 44) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0042735 k( 45) = ( 0.2166667 0.5000000 -0.0000000), wk = 0.0042735 k( 46) = ( 0.2333333 0.5000000 -0.0000000), wk = 0.0042735 k( 47) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0042735 k( 48) = ( 0.2666667 0.5000000 -0.0000000), wk = 0.0042735 k( 49) = ( 0.2833333 0.5000000 -0.0000000), wk = 0.0042735 k( 50) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0042735 k( 51) = ( 0.3166667 0.5000000 -0.0000000), wk = 0.0042735 k( 52) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0042735 k( 53) = ( 0.3500000 0.5000000 -0.0000000), wk = 0.0042735 k( 54) = ( 0.3666667 0.5000000 -0.0000000), wk = 0.0042735 k( 55) = ( 0.3833333 0.5000000 -0.0000000), wk = 0.0042735 k( 56) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0042735 k( 57) = ( 0.4166667 0.5000000 -0.0000000), wk = 0.0042735 k( 58) = ( 0.4333333 0.5000000 -0.0000000), wk = 0.0042735 k( 59) = ( 0.4500000 0.5000000 -0.0000000), wk = 0.0042735 k( 60) = ( 0.4666667 0.5000000 -0.0000000), wk = 0.0042735 k( 61) = ( 0.4833333 0.5000000 -0.0000000), wk = 0.0042735 k( 62) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0042735 k( 63) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0042735 k( 64) = ( 0.4883721 0.4883721 -0.0000000), wk = 0.0042735 k( 65) = ( 0.4767442 0.4767442 -0.0000000), wk = 0.0042735 k( 66) = ( 0.4651163 0.4651163 -0.0000000), wk = 0.0042735 k( 67) = ( 0.4534884 0.4534884 -0.0000000), wk = 0.0042735 k( 68) = ( 0.4418605 0.4418605 -0.0000000), wk = 0.0042735 k( 69) = ( 0.4302326 0.4302326 -0.0000000), wk = 0.0042735 k( 70) = ( 0.4186047 0.4186046 -0.0000000), wk = 0.0042735 k( 71) = ( 0.4069767 0.4069767 -0.0000000), wk = 0.0042735 k( 72) = ( 0.3953488 0.3953488 -0.0000000), wk = 0.0042735 k( 73) = ( 0.3837209 0.3837209 -0.0000000), wk = 0.0042735 k( 74) = ( 0.3720930 0.3720930 -0.0000000), wk = 0.0042735 k( 75) = ( 0.3604651 0.3604651 -0.0000000), wk = 0.0042735 k( 76) = ( 0.3488372 0.3488372 -0.0000000), wk = 0.0042735 k( 77) = ( 0.3372093 0.3372093 -0.0000000), wk = 0.0042735 k( 78) = ( 0.3255814 0.3255814 -0.0000000), wk = 0.0042735 k( 79) = ( 0.3139535 0.3139535 -0.0000000), wk = 0.0042735 k( 80) = ( 0.3023256 0.3023256 -0.0000000), wk = 0.0042735 k( 81) = ( 0.2906977 0.2906977 -0.0000000), wk = 0.0042735 k( 82) = ( 0.2790698 0.2790698 -0.0000000), wk = 0.0042735 k( 83) = ( 0.2674419 0.2674419 -0.0000000), wk = 0.0042735 k( 84) = ( 0.2558140 0.2558140 -0.0000000), wk = 0.0042735 k( 85) = ( 0.2441860 0.2441860 -0.0000000), wk = 0.0042735 k( 86) = ( 0.2325581 0.2325581 -0.0000000), wk = 0.0042735 k( 87) = ( 0.2209302 0.2209302 -0.0000000), wk = 0.0042735 k( 88) = ( 0.2093023 0.2093023 -0.0000000), wk = 0.0042735 k( 89) = ( 0.1976744 0.1976744 -0.0000000), wk = 0.0042735 k( 90) = ( 0.1860465 0.1860465 -0.0000000), wk = 0.0042735 k( 91) = ( 0.1744186 0.1744186 -0.0000000), wk = 0.0042735 k( 92) = ( 0.1627907 0.1627907 -0.0000000), wk = 0.0042735 k( 93) = ( 0.1511628 0.1511628 -0.0000000), wk = 0.0042735 k( 94) = ( 0.1395349 0.1395349 -0.0000000), wk = 0.0042735 k( 95) = ( 0.1279070 0.1279070 -0.0000000), wk = 0.0042735 k( 96) = ( 0.1162791 0.1162791 -0.0000000), wk = 0.0042735 k( 97) = ( 0.1046512 0.1046512 -0.0000000), wk = 0.0042735 k( 98) = ( 0.0930233 0.0930233 -0.0000000), wk = 0.0042735 k( 99) = ( 0.0813954 0.0813953 -0.0000000), wk = 0.0042735 k( 100) = ( 0.0697674 0.0697674 -0.0000000), wk = 0.0042735 k( 101) = ( 0.0581395 0.0581395 -0.0000000), wk = 0.0042735 k( 102) = ( 0.0465116 0.0465116 -0.0000000), wk = 0.0042735 k( 103) = ( 0.0348837 0.0348837 -0.0000000), wk = 0.0042735 k( 104) = ( 0.0232558 0.0232558 -0.0000000), wk = 0.0042735 k( 105) = ( 0.0116279 0.0116279 -0.0000000), wk = 0.0042735 k( 106) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042735 k( 107) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042735 k( 108) = ( 0.0096154 0.0096154 0.0096154), wk = 0.0042735 k( 109) = ( 0.0192308 0.0192308 0.0192308), wk = 0.0042735 k( 110) = ( 0.0288462 0.0288461 0.0288461), wk = 0.0042735 k( 111) = ( 0.0384615 0.0384615 0.0384615), wk = 0.0042735 k( 112) = ( 0.0480769 0.0480769 0.0480769), wk = 0.0042735 k( 113) = ( 0.0576923 0.0576923 0.0576923), wk = 0.0042735 k( 114) = ( 0.0673077 0.0673077 0.0673077), wk = 0.0042735 k( 115) = ( 0.0769231 0.0769231 0.0769231), wk = 0.0042735 k( 116) = ( 0.0865385 0.0865385 0.0865385), wk = 0.0042735 k( 117) = ( 0.0961538 0.0961538 0.0961538), wk = 0.0042735 k( 118) = ( 0.1057692 0.1057692 0.1057692), wk = 0.0042735 k( 119) = ( 0.1153846 0.1153846 0.1153846), wk = 0.0042735 k( 120) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0042735 k( 121) = ( 0.1346154 0.1346154 0.1346154), wk = 0.0042735 k( 122) = ( 0.1442308 0.1442308 0.1442308), wk = 0.0042735 k( 123) = ( 0.1538461 0.1538461 0.1538461), wk = 0.0042735 k( 124) = ( 0.1634615 0.1634615 0.1634615), wk = 0.0042735 k( 125) = ( 0.1730769 0.1730769 0.1730769), wk = 0.0042735 k( 126) = ( 0.1826923 0.1826923 0.1826923), wk = 0.0042735 k( 127) = ( 0.1923077 0.1923077 0.1923077), wk = 0.0042735 k( 128) = ( 0.2019231 0.2019231 0.2019231), wk = 0.0042735 k( 129) = ( 0.2115385 0.2115385 0.2115385), wk = 0.0042735 k( 130) = ( 0.2211539 0.2211538 0.2211538), wk = 0.0042735 k( 131) = ( 0.2307692 0.2307692 0.2307692), wk = 0.0042735 k( 132) = ( 0.2403846 0.2403846 0.2403846), wk = 0.0042735 k( 133) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0042735 k( 134) = ( 0.2596154 0.2596154 0.2596154), wk = 0.0042735 k( 135) = ( 0.2692308 0.2692308 0.2692308), wk = 0.0042735 k( 136) = ( 0.2788462 0.2788461 0.2788461), wk = 0.0042735 k( 137) = ( 0.2884615 0.2884615 0.2884615), wk = 0.0042735 k( 138) = ( 0.2980769 0.2980769 0.2980769), wk = 0.0042735 k( 139) = ( 0.3076923 0.3076923 0.3076923), wk = 0.0042735 k( 140) = ( 0.3173077 0.3173077 0.3173077), wk = 0.0042735 k( 141) = ( 0.3269231 0.3269231 0.3269231), wk = 0.0042735 k( 142) = ( 0.3365385 0.3365385 0.3365385), wk = 0.0042735 k( 143) = ( 0.3461538 0.3461538 0.3461538), wk = 0.0042735 k( 144) = ( 0.3557692 0.3557692 0.3557692), wk = 0.0042735 k( 145) = ( 0.3653846 0.3653846 0.3653846), wk = 0.0042735 k( 146) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0042735 k( 147) = ( 0.3846154 0.3846154 0.3846154), wk = 0.0042735 k( 148) = ( 0.3942308 0.3942308 0.3942308), wk = 0.0042735 k( 149) = ( 0.4038462 0.4038461 0.4038461), wk = 0.0042735 k( 150) = ( 0.4134615 0.4134615 0.4134615), wk = 0.0042735 k( 151) = ( 0.4230769 0.4230769 0.4230769), wk = 0.0042735 k( 152) = ( 0.4326923 0.4326923 0.4326923), wk = 0.0042735 k( 153) = ( 0.4423077 0.4423077 0.4423077), wk = 0.0042735 k( 154) = ( 0.4519231 0.4519231 0.4519231), wk = 0.0042735 k( 155) = ( 0.4615385 0.4615385 0.4615385), wk = 0.0042735 k( 156) = ( 0.4711538 0.4711538 0.4711538), wk = 0.0042735 k( 157) = ( 0.4807692 0.4807692 0.4807692), wk = 0.0042735 k( 158) = ( 0.4903846 0.4903846 0.4903846), wk = 0.0042735 k( 159) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0042735 k( 160) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0042735 k( 161) = ( 0.4883721 0.5000000 0.4883721), wk = 0.0042735 k( 162) = ( 0.4767442 0.5000000 0.4767442), wk = 0.0042735 k( 163) = ( 0.4651163 0.5000000 0.4651163), wk = 0.0042735 k( 164) = ( 0.4534884 0.5000000 0.4534884), wk = 0.0042735 k( 165) = ( 0.4418605 0.5000000 0.4418605), wk = 0.0042735 k( 166) = ( 0.4302326 0.5000000 0.4302326), wk = 0.0042735 k( 167) = ( 0.4186047 0.5000000 0.4186046), wk = 0.0042735 k( 168) = ( 0.4069767 0.5000000 0.4069767), wk = 0.0042735 k( 169) = ( 0.3953488 0.5000000 0.3953488), wk = 0.0042735 k( 170) = ( 0.3837209 0.5000000 0.3837209), wk = 0.0042735 k( 171) = ( 0.3720930 0.5000000 0.3720930), wk = 0.0042735 k( 172) = ( 0.3604651 0.5000000 0.3604651), wk = 0.0042735 k( 173) = ( 0.3488372 0.5000000 0.3488372), wk = 0.0042735 k( 174) = ( 0.3372093 0.5000000 0.3372093), wk = 0.0042735 k( 175) = ( 0.3255814 0.5000000 0.3255814), wk = 0.0042735 k( 176) = ( 0.3139535 0.5000000 0.3139535), wk = 0.0042735 k( 177) = ( 0.3023256 0.5000000 0.3023256), wk = 0.0042735 k( 178) = ( 0.2906977 0.5000000 0.2906977), wk = 0.0042735 k( 179) = ( 0.2790698 0.5000000 0.2790698), wk = 0.0042735 k( 180) = ( 0.2674419 0.5000000 0.2674419), wk = 0.0042735 k( 181) = ( 0.2558140 0.5000000 0.2558139), wk = 0.0042735 k( 182) = ( 0.2441860 0.5000000 0.2441860), wk = 0.0042735 k( 183) = ( 0.2325581 0.5000000 0.2325581), wk = 0.0042735 k( 184) = ( 0.2209302 0.5000000 0.2209302), wk = 0.0042735 k( 185) = ( 0.2093023 0.5000000 0.2093023), wk = 0.0042735 k( 186) = ( 0.1976744 0.5000000 0.1976744), wk = 0.0042735 k( 187) = ( 0.1860465 0.5000000 0.1860465), wk = 0.0042735 k( 188) = ( 0.1744186 0.5000000 0.1744186), wk = 0.0042735 k( 189) = ( 0.1627907 0.5000000 0.1627907), wk = 0.0042735 k( 190) = ( 0.1511628 0.5000000 0.1511628), wk = 0.0042735 k( 191) = ( 0.1395349 0.5000000 0.1395349), wk = 0.0042735 k( 192) = ( 0.1279070 0.5000000 0.1279070), wk = 0.0042735 k( 193) = ( 0.1162791 0.5000000 0.1162791), wk = 0.0042735 k( 194) = ( 0.1046512 0.5000000 0.1046512), wk = 0.0042735 k( 195) = ( 0.0930233 0.5000000 0.0930233), wk = 0.0042735 k( 196) = ( 0.0813954 0.5000000 0.0813953), wk = 0.0042735 k( 197) = ( 0.0697674 0.5000000 0.0697674), wk = 0.0042735 k( 198) = ( 0.0581395 0.5000000 0.0581395), wk = 0.0042735 k( 199) = ( 0.0465116 0.5000000 0.0465116), wk = 0.0042735 k( 200) = ( 0.0348837 0.5000000 0.0348837), wk = 0.0042735 k( 201) = ( 0.0232558 0.5000000 0.0232558), wk = 0.0042735 k( 202) = ( 0.0116279 0.5000000 0.0116279), wk = 0.0042735 k( 203) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0042735 k( 204) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0042735 k( 205) = ( 0.5000000 0.5000000 0.0166667), wk = 0.0042735 k( 206) = ( 0.5000000 0.5000000 0.0333333), wk = 0.0042735 k( 207) = ( 0.5000000 0.5000000 0.0500000), wk = 0.0042735 k( 208) = ( 0.5000000 0.5000000 0.0666667), wk = 0.0042735 k( 209) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0042735 k( 210) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0042735 k( 211) = ( 0.5000000 0.5000000 0.1166667), wk = 0.0042735 k( 212) = ( 0.5000000 0.5000000 0.1333333), wk = 0.0042735 k( 213) = ( 0.5000000 0.5000000 0.1500000), wk = 0.0042735 k( 214) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0042735 k( 215) = ( 0.5000000 0.5000000 0.1833333), wk = 0.0042735 k( 216) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0042735 k( 217) = ( 0.5000000 0.5000000 0.2166667), wk = 0.0042735 k( 218) = ( 0.5000000 0.5000000 0.2333333), wk = 0.0042735 k( 219) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0042735 k( 220) = ( 0.5000000 0.5000000 0.2666667), wk = 0.0042735 k( 221) = ( 0.5000000 0.5000000 0.2833333), wk = 0.0042735 k( 222) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0042735 k( 223) = ( 0.5000000 0.5000000 0.3166667), wk = 0.0042735 k( 224) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0042735 k( 225) = ( 0.5000000 0.5000000 0.3500000), wk = 0.0042735 k( 226) = ( 0.5000000 0.5000000 0.3666667), wk = 0.0042735 k( 227) = ( 0.5000000 0.5000000 0.3833333), wk = 0.0042735 k( 228) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0042735 k( 229) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0042735 k( 230) = ( 0.5000000 0.5000000 0.4333333), wk = 0.0042735 k( 231) = ( 0.5000000 0.5000000 0.4500000), wk = 0.0042735 k( 232) = ( 0.5000000 0.5000000 0.4666667), wk = 0.0042735 k( 233) = ( 0.5000000 0.5000000 0.4833333), wk = 0.0042735 k( 234) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0042735 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042735 k( 2) = ( 0.0000000 0.0166667 0.0000000), wk = 0.0042735 k( 3) = ( 0.0000000 0.0333333 0.0000000), wk = 0.0042735 k( 4) = ( 0.0000000 0.0500000 0.0000000), wk = 0.0042735 k( 5) = ( 0.0000000 0.0666667 0.0000000), wk = 0.0042735 k( 6) = ( 0.0000000 0.0833333 0.0000000), wk = 0.0042735 k( 7) = ( 0.0000000 0.1000000 0.0000000), wk = 0.0042735 k( 8) = ( 0.0000000 0.1166667 0.0000000), wk = 0.0042735 k( 9) = ( 0.0000000 0.1333333 0.0000000), wk = 0.0042735 k( 10) = ( 0.0000000 0.1500000 0.0000000), wk = 0.0042735 k( 11) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0042735 k( 12) = ( 0.0000000 0.1833333 0.0000000), wk = 0.0042735 k( 13) = ( 0.0000000 0.2000000 0.0000000), wk = 0.0042735 k( 14) = ( 0.0000000 0.2166667 0.0000000), wk = 0.0042735 k( 15) = ( 0.0000000 0.2333333 0.0000000), wk = 0.0042735 k( 16) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0042735 k( 17) = ( 0.0000000 0.2666667 0.0000000), wk = 0.0042735 k( 18) = ( 0.0000000 0.2833333 0.0000000), wk = 0.0042735 k( 19) = ( 0.0000000 0.3000000 0.0000000), wk = 0.0042735 k( 20) = ( 0.0000000 0.3166667 0.0000000), wk = 0.0042735 k( 21) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0042735 k( 22) = ( 0.0000000 0.3500000 0.0000000), wk = 0.0042735 k( 23) = ( 0.0000000 0.3666667 0.0000000), wk = 0.0042735 k( 24) = ( 0.0000000 0.3833333 0.0000000), wk = 0.0042735 k( 25) = ( 0.0000000 0.4000000 0.0000000), wk = 0.0042735 k( 26) = ( 0.0000000 0.4166667 0.0000000), wk = 0.0042735 k( 27) = ( 0.0000000 0.4333333 0.0000000), wk = 0.0042735 k( 28) = ( 0.0000000 0.4500000 0.0000000), wk = 0.0042735 k( 29) = ( 0.0000000 0.4666667 0.0000000), wk = 0.0042735 k( 30) = ( 0.0000000 0.4833333 0.0000000), wk = 0.0042735 k( 31) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0042735 k( 32) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0042735 k( 33) = ( 0.0166667 0.5000000 0.0000000), wk = 0.0042735 k( 34) = ( 0.0333333 0.5000000 0.0000000), wk = 0.0042735 k( 35) = ( 0.0500000 0.5000000 0.0000000), wk = 0.0042735 k( 36) = ( 0.0666667 0.5000000 0.0000000), wk = 0.0042735 k( 37) = ( 0.0833333 0.5000000 0.0000000), wk = 0.0042735 k( 38) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0042735 k( 39) = ( 0.1166667 0.5000000 0.0000000), wk = 0.0042735 k( 40) = ( 0.1333333 0.5000000 0.0000000), wk = 0.0042735 k( 41) = ( 0.1500000 0.5000000 0.0000000), wk = 0.0042735 k( 42) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0042735 k( 43) = ( 0.1833333 0.5000000 0.0000000), wk = 0.0042735 k( 44) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0042735 k( 45) = ( 0.2166667 0.5000000 0.0000000), wk = 0.0042735 k( 46) = ( 0.2333333 0.5000000 0.0000000), wk = 0.0042735 k( 47) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0042735 k( 48) = ( 0.2666667 0.5000000 0.0000000), wk = 0.0042735 k( 49) = ( 0.2833333 0.5000000 0.0000000), wk = 0.0042735 k( 50) = ( 0.3000000 0.5000000 0.0000000), wk = 0.0042735 k( 51) = ( 0.3166667 0.5000000 0.0000000), wk = 0.0042735 k( 52) = ( 0.3333333 0.5000000 0.0000000), wk = 0.0042735 k( 53) = ( 0.3500000 0.5000000 0.0000000), wk = 0.0042735 k( 54) = ( 0.3666667 0.5000000 0.0000000), wk = 0.0042735 k( 55) = ( 0.3833333 0.5000000 0.0000000), wk = 0.0042735 k( 56) = ( 0.4000000 0.5000000 0.0000000), wk = 0.0042735 k( 57) = ( 0.4166667 0.5000000 0.0000000), wk = 0.0042735 k( 58) = ( 0.4333333 0.5000000 0.0000000), wk = 0.0042735 k( 59) = ( 0.4500000 0.5000000 0.0000000), wk = 0.0042735 k( 60) = ( 0.4666667 0.5000000 0.0000000), wk = 0.0042735 k( 61) = ( 0.4833333 0.5000000 0.0000000), wk = 0.0042735 k( 62) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0042735 k( 63) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0042735 k( 64) = ( 0.4883721 0.4883721 0.0000000), wk = 0.0042735 k( 65) = ( 0.4767442 0.4767442 0.0000000), wk = 0.0042735 k( 66) = ( 0.4651163 0.4651163 0.0000000), wk = 0.0042735 k( 67) = ( 0.4534884 0.4534884 0.0000000), wk = 0.0042735 k( 68) = ( 0.4418605 0.4418605 0.0000000), wk = 0.0042735 k( 69) = ( 0.4302326 0.4302326 0.0000000), wk = 0.0042735 k( 70) = ( 0.4186047 0.4186047 0.0000000), wk = 0.0042735 k( 71) = ( 0.4069767 0.4069767 0.0000000), wk = 0.0042735 k( 72) = ( 0.3953488 0.3953488 0.0000000), wk = 0.0042735 k( 73) = ( 0.3837209 0.3837209 0.0000000), wk = 0.0042735 k( 74) = ( 0.3720930 0.3720930 0.0000000), wk = 0.0042735 k( 75) = ( 0.3604651 0.3604651 -0.0000000), wk = 0.0042735 k( 76) = ( 0.3488372 0.3488372 0.0000000), wk = 0.0042735 k( 77) = ( 0.3372093 0.3372093 0.0000000), wk = 0.0042735 k( 78) = ( 0.3255814 0.3255814 0.0000000), wk = 0.0042735 k( 79) = ( 0.3139535 0.3139535 -0.0000000), wk = 0.0042735 k( 80) = ( 0.3023256 0.3023256 -0.0000000), wk = 0.0042735 k( 81) = ( 0.2906977 0.2906977 0.0000000), wk = 0.0042735 k( 82) = ( 0.2790698 0.2790698 0.0000000), wk = 0.0042735 k( 83) = ( 0.2674419 0.2674419 0.0000000), wk = 0.0042735 k( 84) = ( 0.2558140 0.2558140 0.0000000), wk = 0.0042735 k( 85) = ( 0.2441860 0.2441860 0.0000000), wk = 0.0042735 k( 86) = ( 0.2325581 0.2325581 0.0000000), wk = 0.0042735 k( 87) = ( 0.2209302 0.2209302 0.0000000), wk = 0.0042735 k( 88) = ( 0.2093023 0.2093023 -0.0000000), wk = 0.0042735 k( 89) = ( 0.1976744 0.1976744 0.0000000), wk = 0.0042735 k( 90) = ( 0.1860465 0.1860465 0.0000000), wk = 0.0042735 k( 91) = ( 0.1744186 0.1744186 -0.0000000), wk = 0.0042735 k( 92) = ( 0.1627907 0.1627907 0.0000000), wk = 0.0042735 k( 93) = ( 0.1511628 0.1511628 -0.0000000), wk = 0.0042735 k( 94) = ( 0.1395349 0.1395349 0.0000000), wk = 0.0042735 k( 95) = ( 0.1279070 0.1279070 0.0000000), wk = 0.0042735 k( 96) = ( 0.1162791 0.1162791 0.0000000), wk = 0.0042735 k( 97) = ( 0.1046512 0.1046512 0.0000000), wk = 0.0042735 k( 98) = ( 0.0930233 0.0930233 -0.0000000), wk = 0.0042735 k( 99) = ( 0.0813954 0.0813954 0.0000000), wk = 0.0042735 k( 100) = ( 0.0697674 0.0697674 0.0000000), wk = 0.0042735 k( 101) = ( 0.0581395 0.0581395 0.0000000), wk = 0.0042735 k( 102) = ( 0.0465116 0.0465116 -0.0000000), wk = 0.0042735 k( 103) = ( 0.0348837 0.0348837 0.0000000), wk = 0.0042735 k( 104) = ( 0.0232558 0.0232558 -0.0000000), wk = 0.0042735 k( 105) = ( 0.0116279 0.0116279 0.0000000), wk = 0.0042735 k( 106) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042735 k( 107) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042735 k( 108) = ( 0.0096154 0.0096154 0.0096154), wk = 0.0042735 k( 109) = ( 0.0192308 0.0192308 0.0192308), wk = 0.0042735 k( 110) = ( 0.0288462 0.0288462 0.0288462), wk = 0.0042735 k( 111) = ( 0.0384615 0.0384615 0.0384615), wk = 0.0042735 k( 112) = ( 0.0480769 0.0480769 0.0480769), wk = 0.0042735 k( 113) = ( 0.0576923 0.0576923 0.0576923), wk = 0.0042735 k( 114) = ( 0.0673077 0.0673077 0.0673077), wk = 0.0042735 k( 115) = ( 0.0769231 0.0769231 0.0769231), wk = 0.0042735 k( 116) = ( 0.0865385 0.0865385 0.0865385), wk = 0.0042735 k( 117) = ( 0.0961538 0.0961538 0.0961538), wk = 0.0042735 k( 118) = ( 0.1057692 0.1057692 0.1057692), wk = 0.0042735 k( 119) = ( 0.1153846 0.1153846 0.1153846), wk = 0.0042735 k( 120) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0042735 k( 121) = ( 0.1346154 0.1346154 0.1346154), wk = 0.0042735 k( 122) = ( 0.1442308 0.1442308 0.1442308), wk = 0.0042735 k( 123) = ( 0.1538461 0.1538461 0.1538461), wk = 0.0042735 k( 124) = ( 0.1634615 0.1634615 0.1634615), wk = 0.0042735 k( 125) = ( 0.1730769 0.1730769 0.1730769), wk = 0.0042735 k( 126) = ( 0.1826923 0.1826923 0.1826923), wk = 0.0042735 k( 127) = ( 0.1923077 0.1923077 0.1923077), wk = 0.0042735 k( 128) = ( 0.2019231 0.2019231 0.2019231), wk = 0.0042735 k( 129) = ( 0.2115385 0.2115385 0.2115385), wk = 0.0042735 k( 130) = ( 0.2211539 0.2211539 0.2211539), wk = 0.0042735 k( 131) = ( 0.2307692 0.2307692 0.2307692), wk = 0.0042735 k( 132) = ( 0.2403846 0.2403846 0.2403846), wk = 0.0042735 k( 133) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0042735 k( 134) = ( 0.2596154 0.2596154 0.2596154), wk = 0.0042735 k( 135) = ( 0.2692308 0.2692308 0.2692308), wk = 0.0042735 k( 136) = ( 0.2788462 0.2788462 0.2788462), wk = 0.0042735 k( 137) = ( 0.2884615 0.2884615 0.2884615), wk = 0.0042735 k( 138) = ( 0.2980769 0.2980769 0.2980769), wk = 0.0042735 k( 139) = ( 0.3076923 0.3076923 0.3076923), wk = 0.0042735 k( 140) = ( 0.3173077 0.3173077 0.3173077), wk = 0.0042735 k( 141) = ( 0.3269231 0.3269231 0.3269231), wk = 0.0042735 k( 142) = ( 0.3365385 0.3365385 0.3365385), wk = 0.0042735 k( 143) = ( 0.3461538 0.3461538 0.3461538), wk = 0.0042735 k( 144) = ( 0.3557692 0.3557692 0.3557692), wk = 0.0042735 k( 145) = ( 0.3653846 0.3653846 0.3653846), wk = 0.0042735 k( 146) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0042735 k( 147) = ( 0.3846154 0.3846154 0.3846154), wk = 0.0042735 k( 148) = ( 0.3942308 0.3942308 0.3942308), wk = 0.0042735 k( 149) = ( 0.4038462 0.4038462 0.4038462), wk = 0.0042735 k( 150) = ( 0.4134615 0.4134615 0.4134615), wk = 0.0042735 k( 151) = ( 0.4230769 0.4230769 0.4230769), wk = 0.0042735 k( 152) = ( 0.4326923 0.4326923 0.4326923), wk = 0.0042735 k( 153) = ( 0.4423077 0.4423077 0.4423077), wk = 0.0042735 k( 154) = ( 0.4519231 0.4519231 0.4519231), wk = 0.0042735 k( 155) = ( 0.4615385 0.4615385 0.4615385), wk = 0.0042735 k( 156) = ( 0.4711538 0.4711538 0.4711538), wk = 0.0042735 k( 157) = ( 0.4807692 0.4807692 0.4807692), wk = 0.0042735 k( 158) = ( 0.4903846 0.4903846 0.4903846), wk = 0.0042735 k( 159) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0042735 k( 160) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0042735 k( 161) = ( 0.4883721 0.5000000 0.4883721), wk = 0.0042735 k( 162) = ( 0.4767442 0.5000000 0.4767442), wk = 0.0042735 k( 163) = ( 0.4651163 0.5000000 0.4651163), wk = 0.0042735 k( 164) = ( 0.4534884 0.5000000 0.4534884), wk = 0.0042735 k( 165) = ( 0.4418605 0.5000000 0.4418605), wk = 0.0042735 k( 166) = ( 0.4302326 0.5000000 0.4302326), wk = 0.0042735 k( 167) = ( 0.4186047 0.5000000 0.4186047), wk = 0.0042735 k( 168) = ( 0.4069767 0.5000000 0.4069767), wk = 0.0042735 k( 169) = ( 0.3953488 0.5000000 0.3953488), wk = 0.0042735 k( 170) = ( 0.3837209 0.5000000 0.3837209), wk = 0.0042735 k( 171) = ( 0.3720930 0.5000000 0.3720930), wk = 0.0042735 k( 172) = ( 0.3604651 0.5000000 0.3604651), wk = 0.0042735 k( 173) = ( 0.3488372 0.5000000 0.3488372), wk = 0.0042735 k( 174) = ( 0.3372093 0.5000000 0.3372093), wk = 0.0042735 k( 175) = ( 0.3255814 0.5000000 0.3255814), wk = 0.0042735 k( 176) = ( 0.3139535 0.5000000 0.3139535), wk = 0.0042735 k( 177) = ( 0.3023256 0.5000000 0.3023256), wk = 0.0042735 k( 178) = ( 0.2906977 0.5000000 0.2906977), wk = 0.0042735 k( 179) = ( 0.2790698 0.5000000 0.2790698), wk = 0.0042735 k( 180) = ( 0.2674419 0.5000000 0.2674419), wk = 0.0042735 k( 181) = ( 0.2558140 0.5000000 0.2558140), wk = 0.0042735 k( 182) = ( 0.2441860 0.5000000 0.2441860), wk = 0.0042735 k( 183) = ( 0.2325581 0.5000000 0.2325581), wk = 0.0042735 k( 184) = ( 0.2209302 0.5000000 0.2209302), wk = 0.0042735 k( 185) = ( 0.2093023 0.5000000 0.2093023), wk = 0.0042735 k( 186) = ( 0.1976744 0.5000000 0.1976744), wk = 0.0042735 k( 187) = ( 0.1860465 0.5000000 0.1860465), wk = 0.0042735 k( 188) = ( 0.1744186 0.5000000 0.1744186), wk = 0.0042735 k( 189) = ( 0.1627907 0.5000000 0.1627907), wk = 0.0042735 k( 190) = ( 0.1511628 0.5000000 0.1511628), wk = 0.0042735 k( 191) = ( 0.1395349 0.5000000 0.1395349), wk = 0.0042735 k( 192) = ( 0.1279070 0.5000000 0.1279070), wk = 0.0042735 k( 193) = ( 0.1162791 0.5000000 0.1162791), wk = 0.0042735 k( 194) = ( 0.1046512 0.5000000 0.1046512), wk = 0.0042735 k( 195) = ( 0.0930233 0.5000000 0.0930233), wk = 0.0042735 k( 196) = ( 0.0813954 0.5000000 0.0813954), wk = 0.0042735 k( 197) = ( 0.0697674 0.5000000 0.0697674), wk = 0.0042735 k( 198) = ( 0.0581395 0.5000000 0.0581395), wk = 0.0042735 k( 199) = ( 0.0465116 0.5000000 0.0465116), wk = 0.0042735 k( 200) = ( 0.0348837 0.5000000 0.0348837), wk = 0.0042735 k( 201) = ( 0.0232558 0.5000000 0.0232558), wk = 0.0042735 k( 202) = ( 0.0116279 0.5000000 0.0116279), wk = 0.0042735 k( 203) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0042735 k( 204) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0042735 k( 205) = ( 0.5000000 0.5000000 0.0166667), wk = 0.0042735 k( 206) = ( 0.5000000 0.5000000 0.0333333), wk = 0.0042735 k( 207) = ( 0.5000000 0.5000000 0.0500000), wk = 0.0042735 k( 208) = ( 0.5000000 0.5000000 0.0666667), wk = 0.0042735 k( 209) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0042735 k( 210) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0042735 k( 211) = ( 0.5000000 0.5000000 0.1166667), wk = 0.0042735 k( 212) = ( 0.5000000 0.5000000 0.1333333), wk = 0.0042735 k( 213) = ( 0.5000000 0.5000000 0.1500000), wk = 0.0042735 k( 214) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0042735 k( 215) = ( 0.5000000 0.5000000 0.1833333), wk = 0.0042735 k( 216) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0042735 k( 217) = ( 0.5000000 0.5000000 0.2166667), wk = 0.0042735 k( 218) = ( 0.5000000 0.5000000 0.2333333), wk = 0.0042735 k( 219) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0042735 k( 220) = ( 0.5000000 0.5000000 0.2666667), wk = 0.0042735 k( 221) = ( 0.5000000 0.5000000 0.2833333), wk = 0.0042735 k( 222) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0042735 k( 223) = ( 0.5000000 0.5000000 0.3166667), wk = 0.0042735 k( 224) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0042735 k( 225) = ( 0.5000000 0.5000000 0.3500000), wk = 0.0042735 k( 226) = ( 0.5000000 0.5000000 0.3666667), wk = 0.0042735 k( 227) = ( 0.5000000 0.5000000 0.3833333), wk = 0.0042735 k( 228) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0042735 k( 229) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0042735 k( 230) = ( 0.5000000 0.5000000 0.4333333), wk = 0.0042735 k( 231) = ( 0.5000000 0.5000000 0.4500000), wk = 0.0042735 k( 232) = ( 0.5000000 0.5000000 0.4666667), wk = 0.0042735 k( 233) = ( 0.5000000 0.5000000 0.4833333), wk = 0.0042735 k( 234) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0042735 Dense grid: 143473 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 42211 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.23 Mb ( 296, 52) NL pseudopotentials 0.34 Mb ( 148, 150) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.03 Mb ( 3988) G-vector shells 0.01 Mb ( 703) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.94 Mb ( 296, 208) Each subspace H/S matrix 0.04 Mb ( 52, 52) Each matrix 0.24 Mb ( 150, 2, 52) The potential is recalculated from file : ./K3AuO.save/charge-density.dat Starting wfc are 74 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.1 secs Computing kpt #: 2 total cpu time spent up to now is 3.7 secs Computing kpt #: 3 total cpu time spent up to now is 4.3 secs Computing kpt #: 4 total cpu time spent up to now is 4.9 secs Computing kpt #: 5 total cpu time spent up to now is 5.4 secs Computing kpt #: 6 total cpu time spent up to now is 6.0 secs Computing kpt #: 7 total cpu time spent up to now is 6.6 secs Computing kpt #: 8 total cpu time spent up to now is 7.2 secs Computing kpt #: 9 total cpu time spent up to now is 7.8 secs Computing kpt #: 10 total cpu time spent up to now is 8.4 secs Computing kpt #: 11 total cpu time spent up to now is 8.9 secs Computing kpt #: 12 total cpu time spent up to now is 9.5 secs Computing kpt #: 13 total cpu time spent up to now is 10.1 secs Computing kpt #: 14 total cpu time spent up to now is 10.7 secs Computing kpt #: 15 total cpu time spent up to now is 11.3 secs Computing kpt #: 16 total cpu time spent up to now is 11.9 secs Computing kpt #: 17 total cpu time spent up to now is 12.5 secs Computing kpt #: 18 total cpu time spent up to now is 13.1 secs Computing kpt #: 19 total cpu time spent up to now is 13.7 secs Computing kpt #: 20 total cpu time spent up to now is 14.3 secs Computing kpt #: 21 total cpu time spent up to now is 14.9 secs Computing kpt #: 22 total cpu time spent up to now is 15.5 secs Computing kpt #: 23 total cpu time spent up to now is 16.1 secs Computing kpt #: 24 total cpu time spent up to now is 16.7 secs Computing kpt #: 25 total cpu time spent up to now is 17.3 secs Computing kpt #: 26 total cpu time spent up to now is 17.9 secs Computing kpt #: 27 total cpu time spent up to now is 18.5 secs Computing kpt #: 28 total cpu time spent up to now is 19.1 secs Computing kpt #: 29 total cpu time spent up to now is 19.7 secs Computing kpt #: 30 total cpu time spent up to now is 20.3 secs Computing kpt #: 31 total cpu time spent up to now is 20.9 secs Computing kpt #: 32 total cpu time spent up to now is 21.6 secs Computing kpt #: 33 total cpu time spent up to now is 22.3 secs Computing kpt #: 34 total cpu time spent up to now is 23.0 secs Computing kpt #: 35 total cpu time spent up to now is 23.6 secs Computing kpt #: 36 total cpu time spent up to now is 24.2 secs Computing kpt #: 37 total cpu time spent up to now is 24.8 secs Computing kpt #: 38 total cpu time spent up to now is 25.5 secs Computing kpt #: 39 total cpu time spent up to now is 26.1 secs Computing kpt #: 40 total cpu time spent up to now is 26.8 secs Computing kpt #: 41 total cpu time spent up to now is 27.5 secs Computing kpt #: 42 total cpu time spent up to now is 28.1 secs Computing kpt #: 43 total cpu time spent up to now is 28.8 secs Computing kpt #: 44 total cpu time spent up to now is 29.5 secs Computing kpt #: 45 total cpu time spent up to now is 30.2 secs Computing kpt #: 46 total cpu time spent up to now is 30.8 secs Computing kpt #: 47 total cpu time spent up to now is 31.7 secs Computing kpt #: 48 total cpu time spent up to now is 32.5 secs Computing kpt #: 49 total cpu time spent up to now is 33.4 secs Computing kpt #: 50 total cpu time spent up to now is 34.3 secs Computing kpt #: 51 total cpu time spent up to now is 35.5 secs Computing kpt #: 52 total cpu time spent up to now is 36.4 secs Computing kpt #: 53 total cpu time spent up to now is 37.1 secs Computing kpt #: 54 total cpu time spent up to now is 37.8 secs Computing kpt #: 55 total cpu time spent up to now is 38.4 secs Computing kpt #: 56 total cpu time spent up to now is 39.0 secs Computing kpt #: 57 total cpu time spent up to now is 39.6 secs Computing kpt #: 58 total cpu time spent up to now is 40.1 secs Computing kpt #: 59 total cpu time spent up to now is 40.7 secs Computing kpt #: 60 total cpu time spent up to now is 41.3 secs Computing kpt #: 61 total cpu time spent up to now is 41.8 secs Computing kpt #: 62 total cpu time spent up to now is 42.4 secs Computing kpt #: 63 total cpu time spent up to now is 42.9 secs Computing kpt #: 64 total cpu time spent up to now is 43.5 secs Computing kpt #: 65 total cpu time spent up to now is 44.1 secs Computing kpt #: 66 total cpu time spent up to now is 44.6 secs Computing kpt #: 67 total cpu time spent up to now is 45.2 secs Computing kpt #: 68 total cpu time spent up to now is 45.8 secs Computing kpt #: 69 total cpu time spent up to now is 46.4 secs Computing kpt #: 70 total cpu time spent up to now is 47.1 secs Computing kpt #: 71 total cpu time spent up to now is 47.8 secs Computing kpt #: 72 total cpu time spent up to now is 48.4 secs Computing kpt #: 73 total cpu time spent up to now is 49.1 secs Computing kpt #: 74 total cpu time spent up to now is 49.9 secs Computing kpt #: 75 total cpu time spent up to now is 50.6 secs Computing kpt #: 76 total cpu time spent up to now is 51.3 secs Computing kpt #: 77 total cpu time spent up to now is 52.0 secs Computing kpt #: 78 total cpu time spent up to now is 52.6 secs Computing kpt #: 79 total cpu time spent up to now is 53.3 secs Computing kpt #: 80 total cpu time spent up to now is 54.0 secs Computing kpt #: 81 total cpu time spent up to now is 54.7 secs Computing kpt #: 82 total cpu time spent up to now is 55.3 secs Computing kpt #: 83 total cpu time spent up to now is 55.9 secs Computing kpt #: 84 total cpu time spent up to now is 56.5 secs Computing kpt #: 85 total cpu time spent up to now is 57.1 secs Computing kpt #: 86 total cpu time spent up to now is 57.7 secs Computing kpt #: 87 total cpu time spent up to now is 58.3 secs Computing kpt #: 88 total cpu time spent up to now is 58.9 secs Computing kpt #: 89 total cpu time spent up to now is 59.5 secs Computing kpt #: 90 total cpu time spent up to now is 60.1 secs Computing kpt #: 91 total cpu time spent up to now is 60.6 secs Computing kpt #: 92 total cpu time spent up to now is 61.2 secs Computing kpt #: 93 total cpu time spent up to now is 61.8 secs Computing kpt #: 94 total cpu time spent up to now is 62.4 secs Computing kpt #: 95 total cpu time spent up to now is 63.0 secs Computing kpt #: 96 total cpu time spent up to now is 63.6 secs Computing kpt #: 97 total cpu time spent up to now is 64.1 secs Computing kpt #: 98 total cpu time spent up to now is 64.7 secs Computing kpt #: 99 total cpu time spent up to now is 65.3 secs Computing kpt #: 100 total cpu time spent up to now is 65.9 secs Computing kpt #: 101 total cpu time spent up to now is 66.5 secs Computing kpt #: 102 total cpu time spent up to now is 67.0 secs Computing kpt #: 103 total cpu time spent up to now is 67.6 secs Computing kpt #: 104 total cpu time spent up to now is 68.2 secs Computing kpt #: 105 total cpu time spent up to now is 68.9 secs Computing kpt #: 106 total cpu time spent up to now is 69.5 secs Computing kpt #: 107 total cpu time spent up to now is 70.2 secs Computing kpt #: 108 total cpu time spent up to now is 70.8 secs Computing kpt #: 109 total cpu time spent up to now is 71.5 secs Computing kpt #: 110 total cpu time spent up to now is 72.1 secs Computing kpt #: 111 total cpu time spent up to now is 72.7 secs Computing kpt #: 112 total cpu time spent up to now is 73.4 secs Computing kpt #: 113 total cpu time spent up to now is 74.1 secs Computing kpt #: 114 total cpu time spent up to now is 74.7 secs Computing kpt #: 115 total cpu time spent up to now is 75.3 secs Computing kpt #: 116 total cpu time spent up to now is 76.0 secs Computing kpt #: 117 total cpu time spent up to now is 76.6 secs Computing kpt #: 118 total cpu time spent up to now is 77.3 secs Computing kpt #: 119 total cpu time spent up to now is 78.0 secs Computing kpt #: 120 total cpu time spent up to now is 78.7 secs Computing kpt #: 121 total cpu time spent up to now is 79.4 secs Computing kpt #: 122 total cpu time spent up to now is 80.1 secs Computing kpt #: 123 total cpu time spent up to now is 80.9 secs Computing kpt #: 124 total cpu time spent up to now is 81.7 secs Computing kpt #: 125 total cpu time spent up to now is 82.6 secs Computing kpt #: 126 total cpu time spent up to now is 83.5 secs Computing kpt #: 127 total cpu time spent up to now is 84.0 secs Computing kpt #: 128 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 85.7 secs Computing kpt #: 129 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 87.4 secs Computing kpt #: 130 total cpu time spent up to now is 89.0 secs Computing kpt #: 131 total cpu time spent up to now is 90.4 secs Computing kpt #: 132 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 92.0 secs Computing kpt #: 133 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 93.7 secs Computing kpt #: 134 total cpu time spent up to now is 95.1 secs Computing kpt #: 135 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 96.8 secs Computing kpt #: 136 total cpu time spent up to now is 98.1 secs Computing kpt #: 137 total cpu time spent up to now is 99.4 secs Computing kpt #: 138 total cpu time spent up to now is 101.0 secs Computing kpt #: 139 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 102.7 secs Computing kpt #: 140 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 104.4 secs Computing kpt #: 141 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 106.1 secs Computing kpt #: 142 total cpu time spent up to now is 107.4 secs Computing kpt #: 143 total cpu time spent up to now is 109.0 secs Computing kpt #: 144 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 110.6 secs Computing kpt #: 145 total cpu time spent up to now is 112.2 secs Computing kpt #: 146 total cpu time spent up to now is 113.7 secs Computing kpt #: 147 total cpu time spent up to now is 114.9 secs Computing kpt #: 148 total cpu time spent up to now is 116.4 secs Computing kpt #: 149 total cpu time spent up to now is 117.6 secs Computing kpt #: 150 total cpu time spent up to now is 118.7 secs Computing kpt #: 151 total cpu time spent up to now is 120.1 secs Computing kpt #: 152 total cpu time spent up to now is 121.2 secs Computing kpt #: 153 total cpu time spent up to now is 122.5 secs Computing kpt #: 154 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 124.1 secs Computing kpt #: 155 total cpu time spent up to now is 124.7 secs Computing kpt #: 156 total cpu time spent up to now is 125.4 secs Computing kpt #: 157 total cpu time spent up to now is 126.0 secs Computing kpt #: 158 total cpu time spent up to now is 126.6 secs Computing kpt #: 159 total cpu time spent up to now is 127.3 secs Computing kpt #: 160 total cpu time spent up to now is 127.9 secs Computing kpt #: 161 total cpu time spent up to now is 128.5 secs Computing kpt #: 162 total cpu time spent up to now is 129.6 secs Computing kpt #: 163 total cpu time spent up to now is 131.2 secs Computing kpt #: 164 total cpu time spent up to now is 132.8 secs Computing kpt #: 165 total cpu time spent up to now is 134.3 secs Computing kpt #: 166 total cpu time spent up to now is 135.9 secs Computing kpt #: 167 total cpu time spent up to now is 137.4 secs Computing kpt #: 168 total cpu time spent up to now is 138.7 secs Computing kpt #: 169 total cpu time spent up to now is 139.6 secs Computing kpt #: 170 total cpu time spent up to now is 140.8 secs Computing kpt #: 171 total cpu time spent up to now is 141.9 secs Computing kpt #: 172 total cpu time spent up to now is 143.0 secs Computing kpt #: 173 total cpu time spent up to now is 143.9 secs Computing kpt #: 174 total cpu time spent up to now is 144.8 secs Computing kpt #: 175 total cpu time spent up to now is 145.9 secs Computing kpt #: 176 total cpu time spent up to now is 146.9 secs Computing kpt #: 177 total cpu time spent up to now is 147.8 secs Computing kpt #: 178 total cpu time spent up to now is 148.7 secs Computing kpt #: 179 total cpu time spent up to now is 149.7 secs Computing kpt #: 180 total cpu time spent up to now is 151.0 secs Computing kpt #: 181 total cpu time spent up to now is 152.3 secs Computing kpt #: 182 total cpu time spent up to now is 153.7 secs Computing kpt #: 183 total cpu time spent up to now is 154.8 secs Computing kpt #: 184 total cpu time spent up to now is 155.7 secs Computing kpt #: 185 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 157.4 secs Computing kpt #: 186 total cpu time spent up to now is 158.8 secs Computing kpt #: 187 total cpu time spent up to now is 159.7 secs Computing kpt #: 188 total cpu time spent up to now is 160.5 secs Computing kpt #: 189 total cpu time spent up to now is 161.3 secs Computing kpt #: 190 total cpu time spent up to now is 162.0 secs Computing kpt #: 191 total cpu time spent up to now is 162.7 secs Computing kpt #: 192 total cpu time spent up to now is 163.3 secs Computing kpt #: 193 total cpu time spent up to now is 164.0 secs Computing kpt #: 194 total cpu time spent up to now is 164.7 secs Computing kpt #: 195 total cpu time spent up to now is 165.4 secs Computing kpt #: 196 total cpu time spent up to now is 166.0 secs Computing kpt #: 197 total cpu time spent up to now is 166.7 secs Computing kpt #: 198 total cpu time spent up to now is 167.4 secs Computing kpt #: 199 total cpu time spent up to now is 168.0 secs Computing kpt #: 200 total cpu time spent up to now is 168.6 secs Computing kpt #: 201 total cpu time spent up to now is 169.2 secs Computing kpt #: 202 total cpu time spent up to now is 169.8 secs Computing kpt #: 203 total cpu time spent up to now is 170.4 secs Computing kpt #: 204 total cpu time spent up to now is 170.9 secs Computing kpt #: 205 total cpu time spent up to now is 171.5 secs Computing kpt #: 206 total cpu time spent up to now is 172.0 secs Computing kpt #: 207 total cpu time spent up to now is 172.6 secs Computing kpt #: 208 total cpu time spent up to now is 173.1 secs Computing kpt #: 209 total cpu time spent up to now is 173.7 secs Computing kpt #: 210 total cpu time spent up to now is 174.3 secs Computing kpt #: 211 total cpu time spent up to now is 174.8 secs Computing kpt #: 212 total cpu time spent up to now is 175.4 secs Computing kpt #: 213 total cpu time spent up to now is 176.0 secs Computing kpt #: 214 total cpu time spent up to now is 176.5 secs Computing kpt #: 215 total cpu time spent up to now is 177.1 secs Computing kpt #: 216 total cpu time spent up to now is 177.7 secs Computing kpt #: 217 total cpu time spent up to now is 178.3 secs Computing kpt #: 218 total cpu time spent up to now is 178.8 secs Computing kpt #: 219 total cpu time spent up to now is 179.4 secs Computing kpt #: 220 total cpu time spent up to now is 180.0 secs Computing kpt #: 221 total cpu time spent up to now is 180.6 secs Computing kpt #: 222 total cpu time spent up to now is 181.2 secs Computing kpt #: 223 total cpu time spent up to now is 181.8 secs Computing kpt #: 224 total cpu time spent up to now is 182.5 secs Computing kpt #: 225 total cpu time spent up to now is 183.2 secs Computing kpt #: 226 total cpu time spent up to now is 183.8 secs Computing kpt #: 227 total cpu time spent up to now is 184.5 secs Computing kpt #: 228 total cpu time spent up to now is 185.4 secs Computing kpt #: 229 total cpu time spent up to now is 186.2 secs Computing kpt #: 230 total cpu time spent up to now is 187.0 secs Computing kpt #: 231 total cpu time spent up to now is 188.3 secs Computing kpt #: 232 total cpu time spent up to now is 189.4 secs Computing kpt #: 233 total cpu time spent up to now is 190.0 secs Computing kpt #: 234 total cpu time spent up to now is 190.7 secs ethr = 2.27E-08, avg # of iterations = 37.0 total cpu time spent up to now is 190.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5257 PWs) bands (ev): -24.9893 -24.9893 -24.9020 -24.9020 -24.9020 -24.9020 -9.7265 -9.7265 -8.8045 -8.8045 -8.8045 -8.8045 -8.7332 -8.7332 -8.5274 -8.5274 -8.5274 -8.5274 -8.4530 -8.4530 -8.2636 -8.2636 -8.1061 -8.1061 -8.1061 -8.1061 0.8171 0.8171 0.8171 0.8171 1.5211 1.5211 2.2625 2.2625 2.2625 2.2625 2.3369 2.3369 4.8746 4.8746 4.8997 4.8997 4.8997 4.8997 7.9710 7.9710 8.7786 8.7786 8.7786 8.7786 8.8490 8.8490 k = 0.0000 0.0167-0.0000 ( 5277 PWs) bands (ev): -24.9892 -24.9892 -24.9021 -24.9021 -24.9020 -24.9020 -9.7277 -9.7277 -8.8045 -8.8045 -8.8041 -8.8041 -8.7331 -8.7331 -8.5274 -8.5274 -8.5274 -8.5274 -8.4531 -8.4531 -8.2631 -8.2631 -8.1062 -8.1062 -8.1056 -8.1056 0.8172 0.8172 0.8172 0.8172 1.5224 1.5224 2.2626 2.2626 2.2627 2.2627 2.3370 2.3370 4.8738 4.8738 4.8984 4.8984 4.8995 4.8995 7.9612 7.9612 8.7161 8.7161 8.7803 8.7803 8.8451 8.8451 k = 0.0000 0.0333-0.0000 ( 5289 PWs) bands (ev): -24.9891 -24.9891 -24.9022 -24.9022 -24.9020 -24.9020 -9.7313 -9.7313 -8.8043 -8.8043 -8.8027 -8.8027 -8.7328 -8.7328 -8.5275 -8.5275 -8.5274 -8.5274 -8.4532 -8.4532 -8.2619 -8.2619 -8.1065 -8.1065 -8.1041 -8.1041 0.8174 0.8174 0.8176 0.8176 1.5262 1.5262 2.2630 2.2630 2.2634 2.2634 2.3372 2.3372 4.8713 4.8713 4.8949 4.8949 4.8990 4.8990 7.9315 7.9315 8.6281 8.6281 8.7853 8.7853 8.8335 8.8335 k = 0.0000 0.0500-0.0000 ( 5285 PWs) bands (ev): -24.9888 -24.9888 -24.9025 -24.9025 -24.9020 -24.9020 -9.7372 -9.7372 -8.8039 -8.8039 -8.8003 -8.8003 -8.7322 -8.7322 -8.5276 -8.5276 -8.5273 -8.5273 -8.4535 -8.4535 -8.2599 -8.2599 -8.1070 -8.1070 -8.1015 -8.1015 0.8177 0.8177 0.8183 0.8183 1.5326 1.5326 2.2635 2.2635 2.2646 2.2646 2.3375 2.3375 4.8658 4.8658 4.8904 4.8904 4.8983 4.8983 7.8817 7.8817 8.5418 8.5418 8.7928 8.7928 8.8157 8.8157 k = 0.0000 0.0667-0.0000 ( 5281 PWs) bands (ev): -24.9884 -24.9884 -24.9029 -24.9029 -24.9020 -24.9020 -9.7451 -9.7451 -8.8033 -8.8033 -8.7972 -8.7972 -8.7315 -8.7315 -8.5278 -8.5278 -8.5272 -8.5272 -8.4539 -8.4539 -8.2573 -8.2573 -8.1076 -8.1076 -8.0977 -8.0977 0.8181 0.8181 0.8192 0.8192 1.5414 1.5414 2.2643 2.2643 2.2663 2.2663 2.3380 2.3380 4.8563 4.8563 4.8862 4.8862 4.8972 4.8972 7.8120 7.8120 8.4619 8.4619 8.7864 8.7864 8.8093 8.8093 k = 0.0000 0.0833-0.0000 ( 5297 PWs) bands (ev): -24.9879 -24.9879 -24.9033 -24.9033 -24.9021 -24.9021 -9.7551 -9.7551 -8.8027 -8.8027 -8.7933 -8.7933 -8.7306 -8.7306 -8.5280 -8.5280 -8.5270 -8.5270 -8.4544 -8.4544 -8.2542 -8.2542 -8.1085 -8.1085 -8.0926 -8.0926 0.8186 0.8186 0.8204 0.8204 1.5526 1.5526 2.2653 2.2653 2.2685 2.2685 2.3386 2.3386 4.8423 4.8423 4.8829 4.8829 4.8958 4.8958 7.7242 7.7242 8.3902 8.3902 8.7578 8.7578 8.8234 8.8234 k = 0.0000 0.1000-0.0000 ( 5277 PWs) bands (ev): -24.9873 -24.9873 -24.9039 -24.9039 -24.9020 -24.9020 -9.7668 -9.7668 -8.8018 -8.8018 -8.7889 -8.7889 -8.7295 -8.7295 -8.5283 -8.5283 -8.5268 -8.5268 -8.4550 -8.4550 -8.2509 -8.2509 -8.1094 -8.1094 -8.0861 -8.0861 0.8193 0.8193 0.8217 0.8217 1.5663 1.5663 2.2665 2.2665 2.2711 2.2711 2.3393 2.3393 4.8244 4.8244 4.8802 4.8802 4.8941 4.8941 7.6212 7.6212 8.3263 8.3263 8.7242 8.7242 8.8421 8.8421 k = 0.0000 0.1167-0.0000 ( 5285 PWs) bands (ev): -24.9866 -24.9866 -24.9045 -24.9045 -24.9020 -24.9020 -9.7800 -9.7800 -8.8009 -8.8009 -8.7841 -8.7841 -8.7283 -8.7283 -8.5288 -8.5288 -8.5265 -8.5265 -8.4558 -8.4558 -8.2475 -8.2475 -8.1106 -8.1106 -8.0782 -8.0782 0.8200 0.8200 0.8233 0.8233 1.5821 1.5821 2.2678 2.2678 2.2742 2.2742 2.3402 2.3402 4.8033 4.8033 4.8776 4.8776 4.8922 4.8922 7.5067 7.5067 8.2688 8.2688 8.6875 8.6875 8.8644 8.8644 k = 0.0000 0.1333-0.0000 ( 5285 PWs) bands (ev): -24.9858 -24.9858 -24.9053 -24.9053 -24.9020 -24.9020 -9.7944 -9.7944 -8.7998 -8.7998 -8.7790 -8.7790 -8.7271 -8.7271 -8.5293 -8.5293 -8.5261 -8.5261 -8.4566 -8.4566 -8.2443 -8.2443 -8.1120 -8.1120 -8.0686 -8.0686 0.8208 0.8208 0.8250 0.8250 1.6002 1.6002 2.2694 2.2694 2.2779 2.2779 2.3411 2.3411 4.7794 4.7794 4.8751 4.8751 4.8901 4.8901 7.3842 7.3842 8.2163 8.2163 8.6489 8.6489 8.8900 8.8900 k = 0.0000 0.1500-0.0000 ( 5293 PWs) bands (ev): -24.9849 -24.9849 -24.9061 -24.9061 -24.9020 -24.9020 -9.8099 -9.8099 -8.7986 -8.7986 -8.7737 -8.7737 -8.7257 -8.7257 -8.5300 -8.5300 -8.5257 -8.5257 -8.4575 -8.4575 -8.2413 -8.2413 -8.1135 -8.1135 -8.0574 -8.0574 0.8217 0.8217 0.8269 0.8269 1.6202 1.6202 2.2711 2.2711 2.2820 2.2820 2.3421 2.3421 4.7533 4.7533 4.8726 4.8726 4.8878 4.8878 7.2566 7.2566 8.1673 8.1673 8.6090 8.6090 8.9188 8.9188 k = 0.0000 0.1667-0.0000 ( 5301 PWs) bands (ev): -24.9840 -24.9840 -24.9070 -24.9070 -24.9020 -24.9020 -9.8261 -9.8261 -8.7973 -8.7973 -8.7682 -8.7682 -8.7243 -8.7243 -8.5309 -8.5309 -8.5253 -8.5253 -8.4585 -8.4585 -8.2388 -8.2388 -8.1150 -8.1150 -8.0447 -8.0447 0.8227 0.8227 0.8290 0.8290 1.6422 1.6422 2.2729 2.2729 2.2866 2.2866 2.3433 2.3433 4.7253 4.7253 4.8699 4.8699 4.8853 4.8853 7.1261 7.1261 8.1211 8.1211 8.5687 8.5687 8.9507 8.9507 k = 0.0000 0.1833-0.0000 ( 5281 PWs) bands (ev): -24.9829 -24.9829 -24.9080 -24.9080 -24.9020 -24.9020 -9.8428 -9.8428 -8.7960 -8.7960 -8.7628 -8.7628 -8.7229 -8.7229 -8.5319 -8.5319 -8.5247 -8.5247 -8.4597 -8.4597 -8.2367 -8.2367 -8.1167 -8.1167 -8.0305 -8.0305 0.8238 0.8238 0.8311 0.8311 1.6658 1.6658 2.2748 2.2748 2.2918 2.2918 2.3445 2.3445 4.6959 4.6959 4.8672 4.8672 4.8826 4.8826 6.9946 6.9946 8.0771 8.0771 8.5283 8.5283 8.9857 8.9857 k = 0.0000 0.2000-0.0000 ( 5258 PWs) bands (ev): -24.9818 -24.9818 -24.9091 -24.9091 -24.9019 -24.9019 -9.8599 -9.8599 -8.7945 -8.7945 -8.7573 -8.7573 -8.7215 -8.7215 -8.5330 -8.5330 -8.5240 -8.5240 -8.4608 -8.4608 -8.2352 -8.2352 -8.1185 -8.1185 -8.0150 -8.0150 0.8249 0.8249 0.8334 0.8334 1.6908 1.6908 2.2768 2.2768 2.2975 2.2975 2.3457 2.3457 4.6654 4.6654 4.8644 4.8644 4.8798 4.8798 6.8632 6.8632 8.0350 8.0350 8.4883 8.4883 9.0235 9.0235 k = 0.0000 0.2167-0.0000 ( 5254 PWs) bands (ev): -24.9806 -24.9806 -24.9102 -24.9102 -24.9019 -24.9019 -9.8770 -9.8770 -8.7930 -8.7930 -8.7520 -8.7520 -8.7201 -8.7201 -8.5343 -8.5343 -8.5233 -8.5233 -8.4622 -8.4622 -8.2341 -8.2341 -8.1203 -8.1203 -7.9985 -7.9985 0.8260 0.8260 0.8356 0.8356 1.7171 1.7171 2.2789 2.2789 2.3038 2.3038 2.3470 2.3470 4.6344 4.6344 4.8616 4.8616 4.8770 4.8770 6.7331 6.7331 7.9947 7.9947 8.4492 8.4492 9.0641 9.0641 k = 0.0000 0.2333-0.0000 ( 5258 PWs) bands (ev): -24.9793 -24.9793 -24.9115 -24.9115 -24.9019 -24.9019 -9.8940 -9.8940 -8.7915 -8.7915 -8.7468 -8.7468 -8.7187 -8.7187 -8.5358 -8.5358 -8.5225 -8.5225 -8.4636 -8.4636 -8.2335 -8.2335 -8.1222 -8.1222 -7.9812 -7.9812 0.8271 0.8271 0.8380 0.8380 1.7443 1.7443 2.2811 2.2811 2.3107 2.3107 2.3484 2.3484 4.6031 4.6031 4.8587 4.8587 4.8740 4.8740 6.6051 6.6051 7.9562 7.9562 8.4112 8.4112 9.1072 9.1072 k = 0.0000 0.2500-0.0000 ( 5270 PWs) bands (ev): -24.9779 -24.9779 -24.9128 -24.9128 -24.9019 -24.9019 -9.9108 -9.9108 -8.7900 -8.7900 -8.7418 -8.7418 -8.7173 -8.7173 -8.5374 -8.5374 -8.5216 -8.5216 -8.4651 -8.4651 -8.2332 -8.2332 -8.1242 -8.1242 -7.9634 -7.9634 0.8283 0.8283 0.8403 0.8403 1.7722 1.7722 2.2832 2.2832 2.3182 2.3182 2.3497 2.3497 4.5720 4.5720 4.8558 4.8558 4.8711 4.8711 6.4799 6.4799 7.9195 7.9195 8.3746 8.3746 9.1526 9.1526 k = 0.0000 0.2667-0.0000 ( 5258 PWs) bands (ev): -24.9765 -24.9765 -24.9141 -24.9141 -24.9019 -24.9019 -9.9272 -9.9272 -8.7884 -8.7884 -8.7370 -8.7370 -8.7158 -8.7158 -8.5392 -8.5392 -8.5206 -8.5206 -8.4668 -8.4668 -8.2333 -8.2333 -8.1261 -8.1261 -7.9453 -7.9453 0.8295 0.8295 0.8426 0.8426 1.8003 1.8003 2.2854 2.2854 2.3264 2.3264 2.3511 2.3511 4.5414 4.5414 4.8529 4.8529 4.8681 4.8681 6.3582 6.3582 7.8846 7.8846 8.3395 8.3395 9.2000 9.2000 k = 0.0000 0.2833-0.0000 ( 5250 PWs) bands (ev): -24.9751 -24.9751 -24.9155 -24.9155 -24.9019 -24.9019 -9.9429 -9.9429 -8.7869 -8.7869 -8.7326 -8.7326 -8.7142 -8.7142 -8.5411 -8.5411 -8.5195 -8.5195 -8.4685 -8.4685 -8.2336 -8.2336 -8.1280 -8.1280 -7.9273 -7.9273 0.8306 0.8306 0.8448 0.8448 1.8283 1.8283 2.2875 2.2875 2.3353 2.3353 2.3525 2.3525 4.5118 4.5118 4.8500 4.8500 4.8653 4.8653 6.2405 6.2405 7.8517 7.8517 8.3063 8.3063 9.2492 9.2492 k = 0.0000 0.3000-0.0000 ( 5262 PWs) bands (ev): -24.9736 -24.9736 -24.9169 -24.9169 -24.9019 -24.9019 -9.9580 -9.9580 -8.7854 -8.7854 -8.7287 -8.7287 -8.7124 -8.7124 -8.5431 -8.5431 -8.5183 -8.5183 -8.4703 -8.4703 -8.2341 -8.2341 -8.1299 -8.1299 -7.9095 -7.9095 0.8317 0.8317 0.8470 0.8470 1.8559 1.8559 2.2895 2.2895 2.3449 2.3449 2.3538 2.3538 4.4835 4.4835 4.8473 4.8473 4.8624 4.8624 6.1276 6.1276 7.8208 7.8208 8.2750 8.2750 9.2998 9.2998 k = 0.0000 0.3167-0.0000 ( 5266 PWs) bands (ev): -24.9721 -24.9721 -24.9184 -24.9184 -24.9018 -24.9018 -9.9723 -9.9723 -8.7840 -8.7840 -8.7254 -8.7254 -8.7102 -8.7102 -8.5451 -8.5451 -8.5170 -8.5170 -8.4722 -8.4722 -8.2348 -8.2348 -8.1317 -8.1317 -7.8922 -7.8922 0.8328 0.8328 0.8491 0.8491 1.8825 1.8825 2.2915 2.2915 2.3551 2.3551 2.3551 2.3551 4.4568 4.4568 4.8446 4.8446 4.8597 4.8597 6.0200 6.0200 7.7921 7.7921 8.2457 8.2457 9.3512 9.3512 k = 0.0000 0.3333-0.0000 ( 5254 PWs) bands (ev): -24.9705 -24.9705 -24.9198 -24.9198 -24.9018 -24.9018 -9.9856 -9.9856 -8.7826 -8.7826 -8.7228 -8.7228 -8.7076 -8.7076 -8.5472 -8.5472 -8.5155 -8.5155 -8.4741 -8.4741 -8.2356 -8.2356 -8.1335 -8.1335 -7.8756 -7.8756 0.8338 0.8338 0.8511 0.8511 1.9079 1.9079 2.2934 2.2934 2.3564 2.3564 2.3660 2.3660 4.4320 4.4320 4.8421 4.8421 4.8571 4.8571 5.9182 5.9182 7.7655 7.7655 8.2187 8.2187 9.4030 9.4030 k = 0.0000 0.3500-0.0000 ( 5262 PWs) bands (ev): -24.9690 -24.9690 -24.9213 -24.9213 -24.9018 -24.9018 -9.9979 -9.9979 -8.7813 -8.7813 -8.7209 -8.7209 -8.7046 -8.7046 -8.5493 -8.5493 -8.5140 -8.5140 -8.4761 -8.4761 -8.2364 -8.2364 -8.1352 -8.1352 -7.8600 -7.8600 0.8348 0.8348 0.8530 0.8530 1.9316 1.9316 2.2952 2.2952 2.3575 2.3575 2.3774 2.3774 4.4093 4.4093 4.8397 4.8397 4.8547 4.8547 5.8229 5.8229 7.7412 7.7412 8.1939 8.1939 9.4545 9.4545 k = 0.0000 0.3667-0.0000 ( 5254 PWs) bands (ev): -24.9675 -24.9675 -24.9227 -24.9227 -24.9018 -24.9018 -10.0091 -10.0091 -8.7801 -8.7801 -8.7195 -8.7195 -8.7015 -8.7015 -8.5514 -8.5514 -8.5124 -8.5124 -8.4782 -8.4782 -8.2373 -8.2373 -8.1367 -8.1367 -7.8455 -7.8455 0.8357 0.8357 0.8547 0.8547 1.9534 1.9534 2.2968 2.2968 2.3586 2.3586 2.3891 2.3891 4.3890 4.3890 4.8375 4.8375 4.8524 4.8524 5.7348 5.7348 7.7193 7.7193 8.1715 8.1715 9.5050 9.5050 k = 0.0000 0.3833-0.0000 ( 5270 PWs) bands (ev): -24.9661 -24.9661 -24.9241 -24.9241 -24.9018 -24.9018 -10.0192 -10.0192 -8.7790 -8.7790 -8.7185 -8.7185 -8.6984 -8.6984 -8.5534 -8.5534 -8.5106 -8.5106 -8.4804 -8.4804 -8.2381 -8.2381 -8.1381 -8.1381 -7.8323 -7.8323 0.8365 0.8365 0.8563 0.8563 1.9729 1.9729 2.2983 2.2983 2.3596 2.3596 2.4009 2.4009 4.3711 4.3711 4.8355 4.8355 4.8504 4.8504 5.6546 5.6546 7.6998 7.6998 8.1516 8.1516 9.5536 9.5536 k = 0.0000 0.4000-0.0000 ( 5278 PWs) bands (ev): -24.9647 -24.9647 -24.9255 -24.9255 -24.9018 -24.9018 -10.0280 -10.0280 -8.7781 -8.7781 -8.7178 -8.7178 -8.6954 -8.6954 -8.5553 -8.5553 -8.5088 -8.5088 -8.4826 -8.4826 -8.2389 -8.2389 -8.1394 -8.1394 -7.8206 -7.8206 0.8372 0.8372 0.8576 0.8576 1.9900 1.9900 2.2997 2.2997 2.3605 2.3605 2.4124 2.4124 4.3558 4.3558 4.8338 4.8338 4.8486 4.8486 5.5829 5.5829 7.6828 7.6828 8.1342 8.1342 9.5994 9.5994 k = 0.0000 0.4167-0.0000 ( 5278 PWs) bands (ev): -24.9634 -24.9634 -24.9267 -24.9267 -24.9018 -24.9018 -10.0356 -10.0356 -8.7773 -8.7773 -8.7173 -8.7173 -8.6926 -8.6926 -8.5570 -8.5570 -8.5069 -8.5069 -8.4848 -8.4848 -8.2396 -8.2396 -8.1405 -8.1405 -7.8104 -7.8104 0.8379 0.8379 0.8588 0.8588 2.0045 2.0045 2.3008 2.3008 2.3613 2.3613 2.4231 2.4231 4.3430 4.3430 4.8323 4.8323 4.8470 4.8470 5.5206 5.5206 7.6684 7.6684 8.1194 8.1194 9.6411 9.6411 k = 0.0000 0.4333-0.0000 ( 5302 PWs) bands (ev): -24.9623 -24.9623 -24.9278 -24.9278 -24.9018 -24.9018 -10.0418 -10.0418 -8.7766 -8.7766 -8.7169 -8.7169 -8.6902 -8.6902 -8.5585 -8.5585 -8.5049 -8.5049 -8.4871 -8.4871 -8.2403 -8.2403 -8.1414 -8.1414 -7.8020 -7.8020 0.8384 0.8384 0.8598 0.8598 2.0163 2.0163 2.3018 2.3018 2.3619 2.3619 2.4328 2.4328 4.3328 4.3328 4.8310 4.8310 4.8457 4.8457 5.4683 5.4683 7.6564 7.6564 8.1072 8.1072 9.6775 9.6775 k = 0.0000 0.4500-0.0000 ( 5294 PWs) bands (ev): -24.9613 -24.9613 -24.9288 -24.9288 -24.9018 -24.9018 -10.0467 -10.0467 -8.7760 -8.7760 -8.7166 -8.7166 -8.6883 -8.6883 -8.5597 -8.5597 -8.5028 -8.5028 -8.4894 -8.4894 -8.2408 -8.2408 -8.1421 -8.1421 -7.7953 -7.7953 0.8388 0.8388 0.8606 0.8606 2.0255 2.0255 2.3025 2.3025 2.3625 2.3625 2.4408 2.4408 4.3251 4.3251 4.8300 4.8300 4.8447 4.8447 5.4267 5.4267 7.6472 7.6472 8.0977 8.0977 9.7076 9.7076 k = 0.0000 0.4667-0.0000 ( 5294 PWs) bands (ev): -24.9606 -24.9606 -24.9295 -24.9295 -24.9018 -24.9018 -10.0502 -10.0502 -8.7756 -8.7756 -8.7165 -8.7165 -8.6869 -8.6869 -8.5606 -8.5606 -8.5007 -8.5007 -8.4917 -8.4917 -8.2411 -8.2411 -8.1427 -8.1427 -7.7905 -7.7905 0.8391 0.8391 0.8612 0.8612 2.0320 2.0320 2.3031 2.3031 2.3628 2.3628 2.4469 2.4469 4.3196 4.3196 4.8293 4.8293 4.8440 4.8440 5.3965 5.3965 7.6405 7.6405 8.0909 8.0909 9.7300 9.7300 k = 0.0000 0.4833-0.0000 ( 5294 PWs) bands (ev): -24.9602 -24.9602 -24.9299 -24.9299 -24.9018 -24.9018 -10.0523 -10.0523 -8.7753 -8.7753 -8.7164 -8.7164 -8.6860 -8.6860 -8.5612 -8.5612 -8.4985 -8.4985 -8.4939 -8.4939 -8.2414 -8.2414 -8.1430 -8.1430 -7.7876 -7.7876 0.8393 0.8393 0.8615 0.8615 2.0359 2.0359 2.3034 2.3034 2.3630 2.3630 2.4507 2.4507 4.3165 4.3165 4.8288 4.8288 4.8435 4.8435 5.3782 5.3782 7.6365 7.6365 8.0868 8.0868 9.7439 9.7439 k = 0.0000 0.5000-0.0000 ( 5294 PWs) bands (ev): -24.9600 -24.9600 -24.9301 -24.9301 -24.9018 -24.9018 -10.0530 -10.0530 -8.7753 -8.7753 -8.7164 -8.7164 -8.6857 -8.6857 -8.5614 -8.5614 -8.4968 -8.4968 -8.4957 -8.4957 -8.2414 -8.2414 -8.1431 -8.1431 -7.7866 -7.7866 0.8393 0.8393 0.8616 0.8616 2.0372 2.0372 2.3035 2.3035 2.3631 2.3631 2.4520 2.4520 4.3154 4.3154 4.8287 4.8287 4.8434 4.8434 5.3720 5.3720 7.6352 7.6352 8.0854 8.0854 9.7486 9.7486 k = 0.0000 0.5000-0.0000 ( 5294 PWs) bands (ev): -24.9600 -24.9600 -24.9301 -24.9301 -24.9018 -24.9018 -10.0530 -10.0530 -8.7753 -8.7753 -8.7164 -8.7164 -8.6857 -8.6857 -8.5614 -8.5614 -8.4968 -8.4968 -8.4957 -8.4957 -8.2414 -8.2414 -8.1431 -8.1431 -7.7866 -7.7866 0.8393 0.8393 0.8616 0.8616 2.0372 2.0372 2.3035 2.3035 2.3631 2.3631 2.4520 2.4520 4.3154 4.3154 4.8287 4.8287 4.8434 4.8434 5.3720 5.3720 7.6352 7.6352 8.0854 8.0854 9.7486 9.7486 k = 0.0167 0.5000-0.0000 ( 5294 PWs) bands (ev): -24.9600 -24.9600 -24.9301 -24.9301 -24.9018 -24.9018 -10.0539 -10.0539 -8.7751 -8.7751 -8.7170 -8.7170 -8.6851 -8.6851 -8.5612 -8.5612 -8.5005 -8.5005 -8.4917 -8.4917 -8.2411 -8.2411 -8.1429 -8.1429 -7.7863 -7.7863 0.8394 0.8394 0.8616 0.8616 2.0381 2.0381 2.3036 2.3036 2.3631 2.3631 2.4519 2.4519 4.3148 4.3148 4.8266 4.8266 4.8416 4.8416 5.3755 5.3755 7.6320 7.6320 8.0816 8.0816 9.7519 9.7519 k = 0.0333 0.5000-0.0000 ( 5294 PWs) bands (ev): -24.9599 -24.9599 -24.9301 -24.9301 -24.9019 -24.9019 -10.0565 -10.0565 -8.7748 -8.7748 -8.7188 -8.7188 -8.6836 -8.6836 -8.5607 -8.5607 -8.5044 -8.5044 -8.4871 -8.4871 -8.2401 -8.2401 -8.1425 -8.1425 -7.7853 -7.7853 0.8396 0.8396 0.8617 0.8617 2.0406 2.0406 2.3041 2.3041 2.3629 2.3629 2.4517 2.4517 4.3130 4.3130 4.8184 4.8184 4.8381 4.8381 5.3856 5.3856 7.6223 7.6223 8.0706 8.0706 9.7617 9.7617 k = 0.0500 0.5000-0.0000 ( 5294 PWs) bands (ev): -24.9596 -24.9596 -24.9301 -24.9301 -24.9021 -24.9021 -10.0608 -10.0608 -8.7743 -8.7743 -8.7215 -8.7215 -8.6815 -8.6815 -8.5600 -8.5600 -8.5080 -8.5080 -8.4822 -8.4822 -8.2386 -8.2386 -8.1417 -8.1417 -7.7837 -7.7837 0.8399 0.8399 0.8618 0.8618 2.0447 2.0447 2.3048 2.3048 2.3626 2.3626 2.4515 2.4515 4.3099 4.3099 4.8027 4.8027 4.8352 4.8352 5.4017 5.4017 7.6057 7.6057 8.0537 8.0537 9.7774 9.7774 k = 0.0667 0.5000-0.0000 ( 5298 PWs) bands (ev): -24.9593 -24.9593 -24.9300 -24.9300 -24.9024 -24.9024 -10.0667 -10.0667 -8.7737 -8.7737 -8.7246 -8.7246 -8.6789 -8.6789 -8.5590 -8.5590 -8.5113 -8.5113 -8.4772 -8.4772 -8.2366 -8.2366 -8.1405 -8.1405 -7.7813 -7.7813 0.8403 0.8403 0.8619 0.8619 2.0505 2.0505 2.3058 2.3058 2.3621 2.3621 2.4511 2.4511 4.3057 4.3057 4.7806 4.7806 4.8327 4.8327 5.4230 5.4230 7.5817 7.5817 8.0325 8.0325 9.7982 9.7982 k = 0.0833 0.5000-0.0000 ( 5294 PWs) bands (ev): -24.9590 -24.9590 -24.9300 -24.9300 -24.9027 -24.9027 -10.0741 -10.0741 -8.7731 -8.7731 -8.7280 -8.7280 -8.6761 -8.6761 -8.5579 -8.5579 -8.5142 -8.5142 -8.4721 -8.4721 -8.2342 -8.2342 -8.1388 -8.1388 -7.7783 -7.7783 0.8409 0.8409 0.8621 0.8621 2.0579 2.0579 2.3071 2.3071 2.3616 2.3616 2.4506 2.4506 4.3004 4.3004 4.7535 4.7535 4.8300 4.8300 5.4486 5.4486 7.5499 7.5499 8.0092 8.0092 9.8233 9.8233 k = 0.1000 0.5000-0.0000 ( 5294 PWs) bands (ev): -24.9585 -24.9585 -24.9300 -24.9300 -24.9031 -24.9031 -10.0828 -10.0828 -8.7727 -8.7727 -8.7312 -8.7312 -8.6733 -8.6733 -8.5568 -8.5568 -8.5167 -8.5167 -8.4668 -8.4668 -8.2318 -8.2318 -8.1366 -8.1366 -7.7746 -7.7746 0.8415 0.8415 0.8623 0.8623 2.0668 2.0668 2.3086 2.3086 2.3610 2.3610 2.4500 2.4500 4.2938 4.2938 4.7226 4.7226 4.8271 4.8271 5.4779 5.4779 7.5101 7.5101 7.9855 7.9855 9.8519 9.8519 k = 0.1167 0.5000-0.0000 ( 5290 PWs) bands (ev): -24.9580 -24.9580 -24.9300 -24.9300 -24.9036 -24.9036 -10.0928 -10.0928 -8.7727 -8.7727 -8.7342 -8.7342 -8.6705 -8.6705 -8.5557 -8.5557 -8.5186 -8.5186 -8.4614 -8.4614 -8.2293 -8.2293 -8.1337 -8.1337 -7.7701 -7.7701 0.8423 0.8423 0.8626 0.8626 2.0772 2.0772 2.3104 2.3104 2.3602 2.3602 2.4494 2.4494 4.2862 4.2862 4.6886 4.6886 4.8238 4.8238 5.5100 5.5100 7.4624 7.4624 7.9627 7.9627 9.8833 9.8833 k = 0.1333 0.5000-0.0000 ( 5282 PWs) bands (ev): -24.9574 -24.9574 -24.9300 -24.9300 -24.9042 -24.9042 -10.1038 -10.1038 -8.7733 -8.7733 -8.7365 -8.7365 -8.6676 -8.6676 -8.5548 -8.5548 -8.5201 -8.5201 -8.4559 -8.4559 -8.2271 -8.2271 -8.1300 -8.1300 -7.7649 -7.7649 0.8431 0.8431 0.8628 0.8628 2.0890 2.0890 2.3125 2.3125 2.3594 2.3594 2.4488 2.4488 4.2775 4.2775 4.6522 4.6522 4.8201 4.8201 5.5446 5.5446 7.4077 7.4077 7.9418 7.9418 9.9171 9.9171 k = 0.1500 0.5000-0.0000 ( 5284 PWs) bands (ev): -24.9567 -24.9567 -24.9300 -24.9300 -24.9048 -24.9048 -10.1157 -10.1157 -8.7746 -8.7746 -8.7382 -8.7382 -8.6649 -8.6649 -8.5542 -8.5542 -8.5211 -8.5211 -8.4504 -8.4504 -8.2252 -8.2252 -8.1256 -8.1256 -7.7590 -7.7590 0.8440 0.8440 0.8631 0.8631 2.1021 2.1021 2.3149 2.3149 2.3586 2.3586 2.4481 2.4481 4.2678 4.2678 4.6140 4.6140 4.8161 4.8161 5.5812 5.5812 7.3470 7.3470 7.9229 7.9229 9.9528 9.9528 k = 0.1667 0.5000-0.0000 ( 5296 PWs) bands (ev): -24.9560 -24.9560 -24.9300 -24.9300 -24.9055 -24.9055 -10.1284 -10.1284 -8.7769 -8.7769 -8.7389 -8.7389 -8.6622 -8.6622 -8.5539 -8.5539 -8.5215 -8.5215 -8.4449 -8.4449 -8.2238 -8.2238 -8.1205 -8.1205 -7.7523 -7.7523 0.8450 0.8450 0.8634 0.8634 2.1163 2.1163 2.3175 2.3175 2.3576 2.3576 2.4475 2.4475 4.2571 4.2571 4.5744 4.5744 4.8118 4.8118 5.6195 5.6195 7.2818 7.2818 7.9060 7.9060 9.9902 9.9902 k = 0.1833 0.5000-0.0000 ( 5290 PWs) bands (ev): -24.9551 -24.9551 -24.9299 -24.9299 -24.9063 -24.9063 -10.1416 -10.1416 -8.7799 -8.7799 -8.7389 -8.7389 -8.6596 -8.6596 -8.5539 -8.5539 -8.5215 -8.5215 -8.4393 -8.4393 -8.2230 -8.2230 -8.1148 -8.1148 -7.7449 -7.7449 0.8461 0.8461 0.8636 0.8636 2.1316 2.1316 2.3203 2.3203 2.3567 2.3567 2.4470 2.4470 4.2455 4.2455 4.5340 4.5340 4.8073 4.8073 5.6590 5.6590 7.2135 7.2135 7.8909 7.8909 10.0293 10.0293 k = 0.2000 0.5000-0.0000 ( 5298 PWs) bands (ev): -24.9542 -24.9542 -24.9299 -24.9299 -24.9071 -24.9071 -10.1551 -10.1551 -8.7835 -8.7835 -8.7383 -8.7383 -8.6571 -8.6571 -8.5541 -8.5541 -8.5212 -8.5212 -8.4338 -8.4338 -8.2227 -8.2227 -8.1085 -8.1085 -7.7368 -7.7368 0.8471 0.8471 0.8639 0.8639 2.1477 2.1477 2.3234 2.3234 2.3558 2.3558 2.4466 2.4466 4.2330 4.2330 4.4931 4.4931 4.8026 4.8026 5.6996 5.6996 7.1432 7.1432 7.8773 7.8773 10.0700 10.0700 k = 0.2167 0.5000-0.0000 ( 5296 PWs) bands (ev): -24.9533 -24.9533 -24.9299 -24.9299 -24.9080 -24.9080 -10.1689 -10.1689 -8.7875 -8.7875 -8.7372 -8.7372 -8.6546 -8.6546 -8.5545 -8.5545 -8.5206 -8.5206 -8.4284 -8.4284 -8.2230 -8.2230 -8.1018 -8.1018 -7.7280 -7.7280 0.8482 0.8482 0.8641 0.8641 2.1644 2.1644 2.3268 2.3268 2.3550 2.3550 2.4463 2.4463 4.2197 4.2197 4.4521 4.4521 4.7978 4.7978 5.7409 5.7409 7.0723 7.0723 7.8649 7.8649 10.1121 10.1121 k = 0.2333 0.5000-0.0000 ( 5304 PWs) bands (ev): -24.9522 -24.9522 -24.9299 -24.9299 -24.9089 -24.9089 -10.1827 -10.1827 -8.7917 -8.7917 -8.7360 -8.7360 -8.6522 -8.6522 -8.5550 -8.5550 -8.5199 -8.5199 -8.4231 -8.4231 -8.2237 -8.2237 -8.0950 -8.0950 -7.7186 -7.7186 0.8493 0.8493 0.8644 0.8644 2.1814 2.1814 2.3303 2.3303 2.3545 2.3545 2.4463 2.4463 4.2058 4.2058 4.4113 4.4113 4.7929 4.7929 5.7826 5.7826 7.0018 7.0018 7.8535 7.8535 10.1558 10.1558 k = 0.2500 0.5000-0.0000 ( 5280 PWs) bands (ev): -24.9511 -24.9511 -24.9298 -24.9298 -24.9099 -24.9099 -10.1964 -10.1964 -8.7960 -8.7960 -8.7345 -8.7345 -8.6499 -8.6499 -8.5555 -8.5555 -8.5191 -8.5191 -8.4178 -8.4178 -8.2247 -8.2247 -8.0881 -8.0881 -7.7087 -7.7087 0.8505 0.8505 0.8646 0.8646 2.1985 2.1985 2.3338 2.3338 2.3544 2.3544 2.4466 2.4466 4.1913 4.1913 4.3711 4.3711 4.7880 4.7880 5.8243 5.8243 6.9326 6.9326 7.8431 7.8431 10.2010 10.2010 k = 0.2667 0.5000-0.0000 ( 5292 PWs) bands (ev): -24.9500 -24.9500 -24.9298 -24.9298 -24.9110 -24.9110 -10.2099 -10.2099 -8.8004 -8.8004 -8.7330 -8.7330 -8.6477 -8.6477 -8.5561 -8.5561 -8.5182 -8.5182 -8.4128 -8.4128 -8.2262 -8.2262 -8.0814 -8.0814 -7.6984 -7.6984 0.8516 0.8516 0.8648 0.8648 2.2152 2.2152 2.3370 2.3370 2.3552 2.3552 2.4474 2.4474 4.1763 4.1763 4.3318 4.3318 4.7830 4.7830 5.8655 5.8655 6.8657 6.8657 7.8334 7.8334 10.2475 10.2475 k = 0.2833 0.5000-0.0000 ( 5288 PWs) bands (ev): -24.9488 -24.9488 -24.9298 -24.9298 -24.9121 -24.9121 -10.2229 -10.2229 -8.8047 -8.8047 -8.7314 -8.7314 -8.6456 -8.6456 -8.5566 -8.5566 -8.5174 -8.5174 -8.4079 -8.4079 -8.2278 -8.2278 -8.0750 -8.0750 -7.6878 -7.6878 0.8526 0.8526 0.8650 0.8650 2.2311 2.2311 2.3393 2.3393 2.3575 2.3575 2.4487 2.4487 4.1609 4.1609 4.2937 4.2937 4.7782 4.7782 5.9059 5.9059 6.8018 6.8018 7.8244 7.8244 10.2954 10.2954 k = 0.3000 0.5000-0.0000 ( 5290 PWs) bands (ev): -24.9476 -24.9476 -24.9298 -24.9298 -24.9133 -24.9133 -10.2355 -10.2355 -8.8088 -8.8088 -8.7300 -8.7300 -8.6435 -8.6435 -8.5571 -8.5571 -8.5167 -8.5167 -8.4033 -8.4033 -8.2297 -8.2297 -8.0688 -8.0688 -7.6771 -7.6771 0.8537 0.8537 0.8652 0.8652 2.2458 2.2458 2.3405 2.3405 2.3617 2.3617 2.4507 2.4507 4.1454 4.1454 4.2571 4.2571 4.7735 4.7735 5.9449 5.9449 6.7417 6.7417 7.8161 7.8161 10.3443 10.3443 k = 0.3167 0.5000-0.0000 ( 5296 PWs) bands (ev): -24.9463 -24.9463 -24.9298 -24.9298 -24.9145 -24.9145 -10.2475 -10.2475 -8.8128 -8.8128 -8.7285 -8.7285 -8.6416 -8.6416 -8.5575 -8.5575 -8.5160 -8.5160 -8.3989 -8.3989 -8.2317 -8.2317 -8.0632 -8.0632 -7.6665 -7.6665 0.8547 0.8547 0.8653 0.8653 2.2590 2.2590 2.3407 2.3407 2.3672 2.3672 2.4537 2.4537 4.1299 4.1299 4.2223 4.2223 4.7689 4.7689 5.9817 5.9817 6.6861 6.6861 7.8085 7.8085 10.3933 10.3933 k = 0.3333 0.5000-0.0000 ( 5298 PWs) bands (ev): -24.9449 -24.9449 -24.9298 -24.9298 -24.9158 -24.9158 -10.2588 -10.2588 -8.8165 -8.8165 -8.7272 -8.7272 -8.6398 -8.6398 -8.5579 -8.5579 -8.5153 -8.5153 -8.3948 -8.3948 -8.2337 -8.2337 -8.0579 -8.0579 -7.6560 -7.6560 0.8556 0.8556 0.8655 0.8655 2.2703 2.2703 2.3404 2.3404 2.3736 2.3736 2.4579 2.4579 4.1145 4.1145 4.1896 4.1896 4.7646 4.7646 6.0158 6.0158 6.6358 6.6358 7.8015 7.8015 10.3563 10.3563 k = 0.3500 0.5000-0.0000 ( 5290 PWs) bands (ev): -24.9436 -24.9436 -24.9297 -24.9297 -24.9171 -24.9171 -10.2692 -10.2692 -8.8200 -8.8200 -8.7260 -8.7260 -8.6381 -8.6381 -8.5582 -8.5582 -8.5147 -8.5147 -8.3910 -8.3910 -8.2357 -8.2357 -8.0532 -8.0532 -7.6459 -7.6459 0.8565 0.8565 0.8656 0.8656 2.2799 2.2799 2.3398 2.3398 2.3800 2.3800 2.4635 2.4635 4.0995 4.0995 4.1592 4.1592 4.7606 4.7606 6.0463 6.0463 6.5916 6.5916 7.7951 7.7951 10.2925 10.2925 k = 0.3667 0.5000-0.0000 ( 5282 PWs) bands (ev): -24.9422 -24.9422 -24.9297 -24.9297 -24.9184 -24.9184 -10.2788 -10.2788 -8.8231 -8.8231 -8.7249 -8.7249 -8.6366 -8.6366 -8.5584 -8.5584 -8.5142 -8.5142 -8.3876 -8.3876 -8.2377 -8.2377 -8.0490 -8.0490 -7.6363 -7.6363 0.8572 0.8572 0.8657 0.8657 2.2877 2.2877 2.3392 2.3392 2.3858 2.3858 2.4705 2.4705 4.0851 4.0851 4.1313 4.1313 4.7569 4.7569 6.0724 6.0724 6.5541 6.5541 7.7895 7.7895 10.2329 10.2329 k = 0.3833 0.5000-0.0000 ( 5288 PWs) bands (ev): -24.9407 -24.9407 -24.9297 -24.9297 -24.9198 -24.9198 -10.2874 -10.2874 -8.8260 -8.8260 -8.7239 -8.7239 -8.6352 -8.6352 -8.5585 -8.5585 -8.5138 -8.5138 -8.3844 -8.3844 -8.2396 -8.2396 -8.0453 -8.0453 -7.6274 -7.6274 0.8579 0.8579 0.8659 0.8659 2.2940 2.2940 2.3385 2.3385 2.3908 2.3908 2.4786 2.4786 4.0715 4.0715 4.1062 4.1062 4.7535 4.7535 6.0934 6.0934 6.5239 6.5239 7.7844 7.7844 10.1783 10.1783 k = 0.4000 0.5000-0.0000 ( 5280 PWs) bands (ev): -24.9393 -24.9393 -24.9297 -24.9297 -24.9212 -24.9212 -10.2950 -10.2950 -8.8285 -8.8285 -8.7230 -8.7230 -8.6340 -8.6340 -8.5586 -8.5586 -8.5135 -8.5135 -8.3817 -8.3817 -8.2413 -8.2413 -8.0421 -8.0421 -7.6194 -7.6194 0.8585 0.8585 0.8660 0.8660 2.2990 2.2990 2.3379 2.3379 2.3947 2.3947 2.4874 2.4874 4.0590 4.0590 4.0840 4.0840 4.7505 4.7505 6.1089 6.1089 6.5012 6.5012 7.7801 7.7801 10.1294 10.1294 k = 0.4167 0.5000-0.0000 ( 5276 PWs) bands (ev): -24.9378 -24.9378 -24.9297 -24.9297 -24.9227 -24.9227 -10.3015 -10.3015 -8.8306 -8.8306 -8.7223 -8.7223 -8.6329 -8.6329 -8.5586 -8.5586 -8.5132 -8.5132 -8.3793 -8.3793 -8.2428 -8.2428 -8.0394 -8.0394 -7.6124 -7.6124 0.8590 0.8590 0.8661 0.8661 2.3029 2.3029 2.3373 2.3373 2.3976 2.3976 2.4963 2.4963 4.0479 4.0479 4.0649 4.0649 4.7479 4.7479 6.1190 6.1190 6.4855 6.4855 7.7765 7.7765 10.0868 10.0868 k = 0.4333 0.5000-0.0000 ( 5280 PWs) bands (ev): -24.9363 -24.9363 -24.9297 -24.9297 -24.9241 -24.9241 -10.3069 -10.3069 -8.8324 -8.8324 -8.7217 -8.7217 -8.6320 -8.6320 -8.5587 -8.5587 -8.5130 -8.5130 -8.3774 -8.3774 -8.2441 -8.2441 -8.0373 -8.0373 -7.6065 -7.6065 0.8594 0.8594 0.8662 0.8662 2.3059 2.3059 2.3369 2.3369 2.3998 2.3998 2.5045 2.5045 4.0384 4.0384 4.0492 4.0492 4.7457 4.7457 6.1246 6.1246 6.4758 6.4758 7.7735 7.7735 10.0510 10.0510 k = 0.4500 0.5000-0.0000 ( 5280 PWs) bands (ev): -24.9348 -24.9348 -24.9297 -24.9297 -24.9256 -24.9256 -10.3111 -10.3111 -8.8338 -8.8338 -8.7212 -8.7212 -8.6313 -8.6313 -8.5587 -8.5587 -8.5128 -8.5128 -8.3759 -8.3759 -8.2452 -8.2452 -8.0356 -8.0356 -7.6017 -7.6017 0.8597 0.8597 0.8663 0.8663 2.3081 2.3081 2.3365 2.3365 2.4013 2.4013 2.5115 2.5115 4.0308 4.0308 4.0368 4.0368 4.7440 4.7440 6.1268 6.1268 6.4707 6.4707 7.7712 7.7712 10.0226 10.0226 k = 0.4667 0.5000-0.0000 ( 5270 PWs) bands (ev): -24.9333 -24.9333 -24.9296 -24.9296 -24.9271 -24.9271 -10.3141 -10.3141 -8.8348 -8.8348 -8.7209 -8.7209 -8.6308 -8.6308 -8.5587 -8.5587 -8.5126 -8.5126 -8.3748 -8.3748 -8.2459 -8.2459 -8.0344 -8.0344 -7.5983 -7.5983 0.8599 0.8599 0.8664 0.8664 2.3096 2.3096 2.3362 2.3362 2.4023 2.4023 2.5168 2.5168 4.0251 4.0251 4.0279 4.0279 4.7428 4.7428 6.1271 6.1271 6.4685 6.4685 7.7695 7.7695 10.0019 10.0019 k = 0.4833 0.5000-0.0000 ( 5270 PWs) bands (ev): -24.9318 -24.9318 -24.9296 -24.9296 -24.9286 -24.9286 -10.3159 -10.3159 -8.8354 -8.8354 -8.7207 -8.7207 -8.6306 -8.6306 -8.5587 -8.5587 -8.5126 -8.5126 -8.3741 -8.3741 -8.2464 -8.2464 -8.0337 -8.0337 -7.5962 -7.5962 0.8600 0.8600 0.8664 0.8664 2.3105 2.3105 2.3360 2.3360 2.4029 2.4029 2.5201 2.5201 4.0215 4.0215 4.0226 4.0226 4.7420 4.7420 6.1268 6.1268 6.4678 6.4678 7.7685 7.7685 9.9894 9.9894 k = 0.5000 0.5000-0.0000 ( 5280 PWs) bands (ev): -24.9307 -24.9307 -24.9297 -24.9297 -24.9296 -24.9296 -10.3166 -10.3166 -8.8357 -8.8357 -8.7206 -8.7206 -8.6305 -8.6305 -8.5587 -8.5587 -8.5126 -8.5126 -8.3739 -8.3739 -8.2466 -8.2466 -8.0335 -8.0335 -7.5955 -7.5955 0.8601 0.8601 0.8664 0.8664 2.3107 2.3107 2.3360 2.3360 2.4030 2.4030 2.5213 2.5213 4.0202 4.0202 4.0210 4.0210 4.7418 4.7418 6.1266 6.1266 6.4676 6.4676 7.7682 7.7682 9.9852 9.9852 k = 0.5000 0.5000-0.0000 ( 5280 PWs) bands (ev): -24.9307 -24.9307 -24.9297 -24.9297 -24.9296 -24.9296 -10.3166 -10.3166 -8.8357 -8.8357 -8.7206 -8.7206 -8.6305 -8.6305 -8.5587 -8.5587 -8.5126 -8.5126 -8.3739 -8.3739 -8.2466 -8.2466 -8.0335 -8.0335 -7.5955 -7.5955 0.8601 0.8601 0.8664 0.8664 2.3107 2.3107 2.3360 2.3360 2.4030 2.4030 2.5213 2.5213 4.0202 4.0202 4.0210 4.0210 4.7418 4.7418 6.1266 6.1266 6.4676 6.4676 7.7682 7.7682 9.9852 9.9852 k = 0.4884 0.4884-0.0000 ( 5272 PWs) bands (ev): -24.9318 -24.9318 -24.9296 -24.9296 -24.9286 -24.9286 -10.3160 -10.3160 -8.8354 -8.8354 -8.7207 -8.7207 -8.6305 -8.6305 -8.5587 -8.5587 -8.5126 -8.5126 -8.3741 -8.3741 -8.2464 -8.2464 -8.0337 -8.0337 -7.5962 -7.5962 0.8600 0.8600 0.8664 0.8664 2.3105 2.3105 2.3360 2.3360 2.4029 2.4029 2.5202 2.5202 4.0215 4.0215 4.0226 4.0226 4.7420 4.7420 6.1268 6.1268 6.4678 6.4678 7.7685 7.7685 9.9893 9.9893 k = 0.4767 0.4767-0.0000 ( 5266 PWs) bands (ev): -24.9333 -24.9333 -24.9295 -24.9295 -24.9272 -24.9272 -10.3142 -10.3142 -8.8348 -8.8348 -8.7209 -8.7209 -8.6308 -8.6308 -8.5587 -8.5587 -8.5126 -8.5126 -8.3747 -8.3747 -8.2460 -8.2460 -8.0344 -8.0344 -7.5982 -7.5982 0.8599 0.8599 0.8664 0.8664 2.3096 2.3096 2.3362 2.3362 2.4023 2.4023 2.5169 2.5169 4.0252 4.0252 4.0275 4.0275 4.7428 4.7428 6.1274 6.1274 6.4682 6.4682 7.7695 7.7695 10.0014 10.0014 k = 0.4651 0.4651-0.0000 ( 5274 PWs) bands (ev): -24.9349 -24.9349 -24.9293 -24.9293 -24.9259 -24.9259 -10.3112 -10.3112 -8.8339 -8.8339 -8.7212 -8.7212 -8.6313 -8.6313 -8.5587 -8.5587 -8.5128 -8.5128 -8.3758 -8.3758 -8.2452 -8.2452 -8.0355 -8.0355 -7.6016 -7.6016 0.8597 0.8597 0.8663 0.8663 2.3081 2.3081 2.3365 2.3365 2.4015 2.4015 2.5114 2.5114 4.0310 4.0310 4.0360 4.0360 4.7440 4.7440 6.1284 6.1284 6.4692 6.4692 7.7711 7.7711 10.0212 10.0212 k = 0.4535 0.4535-0.0000 ( 5278 PWs) bands (ev): -24.9365 -24.9365 -24.9291 -24.9291 -24.9245 -24.9245 -10.3071 -10.3071 -8.8325 -8.8325 -8.7217 -8.7217 -8.6320 -8.6320 -8.5586 -8.5586 -8.5129 -8.5129 -8.3773 -8.3773 -8.2442 -8.2442 -8.0371 -8.0371 -7.6064 -7.6064 0.8594 0.8594 0.8662 0.8662 2.3060 2.3060 2.3368 2.3368 2.4003 2.4003 2.5040 2.5040 4.0391 4.0391 4.0477 4.0477 4.7456 4.7456 6.1297 6.1297 6.4711 6.4711 7.7734 7.7734 10.0482 10.0482 k = 0.4419 0.4419-0.0000 ( 5290 PWs) bands (ev): -24.9382 -24.9382 -24.9288 -24.9288 -24.9232 -24.9232 -10.3017 -10.3017 -8.8308 -8.8308 -8.7223 -8.7223 -8.6329 -8.6329 -8.5586 -8.5586 -8.5132 -8.5132 -8.3792 -8.3792 -8.2429 -8.2429 -8.0391 -8.0391 -7.6124 -7.6124 0.8590 0.8590 0.8661 0.8661 2.3031 2.3031 2.3371 2.3371 2.3987 2.3987 2.4947 2.4947 4.0494 4.0494 4.0625 4.0625 4.7477 4.7477 6.1313 6.1313 6.4743 6.4743 7.7765 7.7765 10.0813 10.0813 k = 0.4302 0.4302-0.0000 ( 5294 PWs) bands (ev): -24.9399 -24.9399 -24.9284 -24.9284 -24.9220 -24.9220 -10.2953 -10.2953 -8.8288 -8.8288 -8.7230 -8.7230 -8.6340 -8.6340 -8.5585 -8.5585 -8.5134 -8.5134 -8.3814 -8.3814 -8.2414 -8.2414 -8.0414 -8.0414 -7.6197 -7.6197 0.8585 0.8585 0.8659 0.8659 2.2994 2.2994 2.3375 2.3375 2.3968 2.3968 2.4838 2.4838 4.0619 4.0619 4.0803 4.0803 4.7503 4.7503 6.1331 6.1331 6.4794 6.4794 7.7803 7.7803 10.1191 10.1191 k = 0.4186 0.4186-0.0000 ( 5284 PWs) bands (ev): -24.9416 -24.9416 -24.9279 -24.9279 -24.9208 -24.9208 -10.2877 -10.2877 -8.8264 -8.8264 -8.7238 -8.7238 -8.6354 -8.6354 -8.5584 -8.5584 -8.5137 -8.5137 -8.3840 -8.3840 -8.2396 -8.2396 -8.0441 -8.0441 -7.6283 -7.6283 0.8579 0.8579 0.8657 0.8657 2.2946 2.2946 2.3379 2.3379 2.3946 2.3946 2.4716 2.4716 4.0765 4.0765 4.1009 4.1009 4.7533 4.7533 6.1352 6.1352 6.4868 6.4868 7.7850 7.7850 10.1594 10.1594 k = 0.4070 0.4070-0.0000 ( 5288 PWs) bands (ev): -24.9434 -24.9434 -24.9274 -24.9274 -24.9196 -24.9196 -10.2789 -10.2789 -8.8237 -8.8237 -8.7248 -8.7248 -8.6369 -8.6369 -8.5581 -8.5581 -8.5141 -8.5141 -8.3870 -8.3870 -8.2377 -8.2377 -8.0471 -8.0471 -7.6381 -7.6381 0.8572 0.8572 0.8654 0.8654 2.2885 2.2885 2.3382 2.3382 2.3921 2.3921 2.4584 2.4584 4.0931 4.0931 4.1240 4.1240 4.7566 4.7566 6.1377 6.1377 6.4970 6.4970 7.7906 7.7906 10.1981 10.1981 k = 0.3953 0.3953-0.0000 ( 5292 PWs) bands (ev): -24.9452 -24.9452 -24.9268 -24.9268 -24.9185 -24.9185 -10.2691 -10.2691 -8.8207 -8.8207 -8.7259 -8.7259 -8.6387 -8.6387 -8.5578 -8.5578 -8.5145 -8.5145 -8.3902 -8.3902 -8.2357 -8.2357 -8.0504 -8.0504 -7.6491 -7.6491 0.8564 0.8564 0.8651 0.8651 2.2808 2.2808 2.3383 2.3383 2.3892 2.3892 2.4447 2.4447 4.1116 4.1116 4.1494 4.1494 4.7604 4.7604 6.1409 6.1409 6.5103 6.5103 7.7972 7.7972 10.2272 10.2272 k = 0.3837 0.3837-0.0000 ( 5282 PWs) bands (ev): -24.9470 -24.9470 -24.9262 -24.9262 -24.9174 -24.9174 -10.2582 -10.2582 -8.8175 -8.8175 -8.7271 -8.7271 -8.6407 -8.6407 -8.5574 -8.5574 -8.5149 -8.5149 -8.3937 -8.3937 -8.2335 -8.2335 -8.0538 -8.0538 -7.6612 -7.6612 0.8555 0.8555 0.8648 0.8648 2.2712 2.2712 2.3383 2.3383 2.3861 2.3861 2.4310 2.4310 4.1320 4.1320 4.1769 4.1769 4.7645 4.7645 6.1453 6.1453 6.5269 6.5269 7.8049 7.8049 10.2340 10.2340 k = 0.3721 0.3721-0.0000 ( 5288 PWs) bands (ev): -24.9488 -24.9488 -24.9255 -24.9255 -24.9164 -24.9164 -10.2463 -10.2463 -8.8141 -8.8141 -8.7284 -8.7284 -8.6430 -8.6430 -8.5568 -8.5568 -8.5154 -8.5154 -8.3974 -8.3974 -8.2313 -8.2313 -8.0575 -8.0575 -7.6745 -7.6745 0.8546 0.8546 0.8643 0.8643 2.2592 2.2592 2.3379 2.3379 2.3828 2.3828 2.4180 2.4180 4.1541 4.1541 4.2062 4.2062 4.7689 4.7689 6.1512 6.1512 6.5471 6.5471 7.8136 7.8136 10.2118 10.2118 k = 0.3605 0.3605-0.0000 ( 5288 PWs) bands (ev): -24.9506 -24.9506 -24.9247 -24.9247 -24.9154 -24.9154 -10.2333 -10.2333 -8.8106 -8.8106 -8.7299 -8.7299 -8.6455 -8.6455 -8.5561 -8.5561 -8.5160 -8.5160 -8.4014 -8.4014 -8.2290 -8.2290 -8.0613 -8.0613 -7.6887 -7.6887 0.8535 0.8535 0.8638 0.8638 2.2444 2.2444 2.3372 2.3372 2.3792 2.3792 2.4061 2.4061 4.1778 4.1778 4.2369 4.2369 4.7735 4.7735 6.1592 6.1592 6.5708 6.5708 7.8236 7.8236 10.1689 10.1689 k = 0.3488 0.3488-0.0000 ( 5305 PWs) bands (ev): -24.9525 -24.9525 -24.9239 -24.9239 -24.9144 -24.9144 -10.2194 -10.2194 -8.8070 -8.8070 -8.7315 -8.7315 -8.6482 -8.6482 -8.5553 -8.5553 -8.5166 -8.5166 -8.4054 -8.4054 -8.2267 -8.2267 -8.0652 -8.0652 -7.7040 -7.7040 0.8523 0.8523 0.8631 0.8631 2.2267 2.2267 2.3360 2.3360 2.3756 2.3756 2.3956 2.3956 4.2029 4.2029 4.2688 4.2688 4.7785 4.7785 6.1700 6.1700 6.5980 6.5980 7.8348 7.8348 10.1156 10.1156 k = 0.3372 0.3372-0.0000 ( 5315 PWs) bands (ev): -24.9543 -24.9543 -24.9231 -24.9231 -24.9135 -24.9135 -10.2045 -10.2045 -8.8033 -8.8033 -8.7331 -8.7331 -8.6511 -8.6511 -8.5543 -8.5543 -8.5173 -8.5173 -8.4096 -8.4096 -8.2245 -8.2245 -8.0691 -8.0691 -7.7201 -7.7201 0.8511 0.8511 0.8624 0.8624 2.2060 2.2060 2.3342 2.3342 2.3720 2.3720 2.3867 2.3867 4.2294 4.2294 4.3016 4.3016 4.7836 4.7836 6.1841 6.1841 6.6287 6.6287 7.8474 7.8474 10.0574 10.0574 k = 0.3256 0.3256-0.0000 ( 5305 PWs) bands (ev): -24.9562 -24.9562 -24.9222 -24.9222 -24.9127 -24.9127 -10.1888 -10.1888 -8.7996 -8.7996 -8.7349 -8.7349 -8.6543 -8.6543 -8.5532 -8.5532 -8.5179 -8.5179 -8.4139 -8.4139 -8.2222 -8.2222 -8.0730 -8.0730 -7.7370 -7.7370 0.8498 0.8498 0.8615 0.8615 2.1825 2.1825 2.3319 2.3319 2.3686 2.3686 2.3793 2.3793 4.2571 4.2571 4.3350 4.3350 4.7889 4.7889 6.2021 6.2021 6.6629 6.6629 7.8615 7.8615 9.9971 9.9971 k = 0.3140 0.3140-0.0000 ( 5289 PWs) bands (ev): -24.9580 -24.9580 -24.9213 -24.9213 -24.9118 -24.9118 -10.1722 -10.1722 -8.7959 -8.7959 -8.7366 -8.7366 -8.6577 -8.6577 -8.5520 -8.5520 -8.5186 -8.5186 -8.4181 -8.4181 -8.2201 -8.2201 -8.0768 -8.0768 -7.7547 -7.7547 0.8484 0.8484 0.8605 0.8605 2.1566 2.1566 2.3292 2.3292 2.3652 2.3652 2.3731 2.3731 4.2859 4.2859 4.3687 4.3687 4.7944 4.7944 6.2244 6.2244 6.7005 6.7005 7.8770 7.8770 9.9358 9.9358 k = 0.3023 0.3023-0.0000 ( 5285 PWs) bands (ev): -24.9599 -24.9599 -24.9203 -24.9203 -24.9110 -24.9110 -10.1548 -10.1548 -8.7924 -8.7924 -8.7385 -8.7385 -8.6613 -8.6613 -8.5507 -8.5507 -8.5194 -8.5194 -8.4223 -8.4223 -8.2182 -8.2182 -8.0806 -8.0806 -7.7730 -7.7730 0.8469 0.8469 0.8593 0.8593 2.1287 2.1287 2.3260 2.3260 2.3617 2.3617 2.3681 2.3681 4.3155 4.3155 4.4024 4.4024 4.7999 4.7999 6.2516 6.2516 6.7413 6.7413 7.8941 7.8941 9.8744 9.8744 k = 0.2907 0.2907-0.0000 ( 5291 PWs) bands (ev): -24.9617 -24.9617 -24.9194 -24.9194 -24.9103 -24.9103 -10.1366 -10.1366 -8.7891 -8.7891 -8.7403 -8.7403 -8.6651 -8.6651 -8.5492 -8.5492 -8.5202 -8.5202 -8.4265 -8.4265 -8.2164 -8.2164 -8.0842 -8.0842 -7.7919 -7.7919 0.8455 0.8455 0.8581 0.8581 2.0990 2.0990 2.3226 2.3226 2.3574 2.3574 2.3647 2.3647 4.3459 4.3459 4.4358 4.4358 4.8055 4.8055 6.2839 6.2839 6.7854 6.7854 7.9128 7.9128 9.8135 9.8135 k = 0.2791 0.2791-0.0000 ( 5281 PWs) bands (ev): -24.9635 -24.9635 -24.9184 -24.9184 -24.9096 -24.9096 -10.1178 -10.1178 -8.7861 -8.7861 -8.7421 -8.7421 -8.6692 -8.6692 -8.5477 -8.5477 -8.5210 -8.5210 -8.4305 -8.4305 -8.2148 -8.2148 -8.0875 -8.0875 -7.8113 -7.8113 0.8439 0.8439 0.8567 0.8567 2.0680 2.0680 2.3190 2.3190 2.3525 2.3525 2.3623 2.3623 4.3769 4.3769 4.4688 4.4688 4.8112 4.8112 6.3217 6.3217 6.8328 6.8328 7.9332 7.9332 9.7533 9.7533 k = 0.2674 0.2674-0.0000 ( 5279 PWs) bands (ev): -24.9653 -24.9653 -24.9174 -24.9174 -24.9089 -24.9089 -10.0984 -10.0984 -8.7834 -8.7834 -8.7439 -8.7439 -8.6734 -8.6734 -8.5461 -8.5461 -8.5218 -8.5218 -8.4343 -8.4343 -8.2135 -8.2135 -8.0907 -8.0907 -7.8310 -7.8310 0.8424 0.8424 0.8551 0.8551 2.0359 2.0359 2.3154 2.3154 2.3473 2.3473 2.3605 2.3605 4.4083 4.4083 4.5010 4.5010 4.8169 4.8169 6.3650 6.3650 6.8833 6.8833 7.9554 7.9554 9.6940 9.6940 k = 0.2558 0.2558-0.0000 ( 5279 PWs) bands (ev): -24.9670 -24.9670 -24.9164 -24.9164 -24.9083 -24.9083 -10.0784 -10.0784 -8.7813 -8.7813 -8.7455 -8.7455 -8.6778 -8.6778 -8.5444 -8.5444 -8.5227 -8.5227 -8.4378 -8.4378 -8.2125 -8.2125 -8.0936 -8.0936 -7.8509 -7.8509 0.8408 0.8408 0.8534 0.8534 2.0032 2.0032 2.3117 2.3117 2.3421 2.3421 2.3589 2.3589 4.4399 4.4399 4.5323 4.5323 4.8225 4.8225 6.4141 6.4141 6.9370 6.9370 7.9793 7.9793 9.6360 9.6360 k = 0.2442 0.2442-0.0000 ( 5279 PWs) bands (ev): -24.9687 -24.9687 -24.9154 -24.9154 -24.9077 -24.9077 -10.0579 -10.0579 -8.7797 -8.7797 -8.7469 -8.7469 -8.6824 -8.6824 -8.5427 -8.5427 -8.5235 -8.5235 -8.4411 -8.4411 -8.2118 -8.2118 -8.0963 -8.0963 -7.8709 -7.8709 0.8392 0.8392 0.8517 0.8517 1.9700 1.9700 2.3081 2.3081 2.3367 2.3367 2.3575 2.3575 4.4716 4.4716 4.5627 4.5627 4.8280 4.8280 6.4689 6.4689 6.9939 6.9939 8.0050 8.0050 9.5793 9.5793 k = 0.2326 0.2326-0.0000 ( 5283 PWs) bands (ev): -24.9704 -24.9704 -24.9144 -24.9144 -24.9071 -24.9071 -10.0370 -10.0370 -8.7788 -8.7788 -8.7482 -8.7482 -8.6871 -8.6871 -8.5409 -8.5409 -8.5242 -8.5242 -8.4441 -8.4441 -8.2115 -8.2115 -8.0986 -8.0986 -7.8910 -7.8910 0.8376 0.8376 0.8498 0.8498 1.9366 1.9366 2.3045 2.3045 2.3314 2.3314 2.3561 2.3561 4.5032 4.5032 4.5919 4.5919 4.8334 4.8334 6.5292 6.5292 7.0539 7.0539 8.0325 8.0325 9.5241 9.5241 k = 0.2209 0.2209-0.0000 ( 5285 PWs) bands (ev): -24.9720 -24.9720 -24.9134 -24.9134 -24.9066 -24.9066 -10.0158 -10.0158 -8.7786 -8.7786 -8.7493 -8.7493 -8.6918 -8.6918 -8.5392 -8.5392 -8.5250 -8.5250 -8.4468 -8.4468 -8.2115 -8.2115 -8.1007 -8.1007 -7.9108 -7.9108 0.8360 0.8360 0.8478 0.8478 1.9033 1.9033 2.3010 2.3010 2.3261 2.3261 2.3548 2.3548 4.5345 4.5345 4.6199 4.6199 4.8387 4.8387 6.5949 6.5949 7.1172 7.1172 8.0619 8.0619 9.4706 9.4706 k = 0.2093 0.2093-0.0000 ( 5285 PWs) bands (ev): -24.9736 -24.9736 -24.9124 -24.9124 -24.9061 -24.9061 -9.9944 -9.9944 -8.7790 -8.7790 -8.7503 -8.7503 -8.6965 -8.6965 -8.5375 -8.5375 -8.5256 -8.5256 -8.4491 -8.4491 -8.2120 -8.2120 -8.1024 -8.1024 -7.9303 -7.9303 0.8344 0.8344 0.8457 0.8457 1.8702 1.8702 2.2976 2.2976 2.3208 2.3208 2.3534 2.3534 4.5654 4.5654 4.6466 4.6466 4.8439 4.8439 6.6655 6.6655 7.1837 7.1837 8.0930 8.0930 9.4188 9.4188 k = 0.1977 0.1977-0.0000 ( 5285 PWs) bands (ev): -24.9752 -24.9752 -24.9115 -24.9115 -24.9057 -24.9057 -9.9729 -9.9729 -8.7799 -8.7799 -8.7515 -8.7515 -8.7011 -8.7011 -8.5359 -8.5359 -8.5262 -8.5262 -8.4511 -8.4511 -8.2130 -8.2130 -8.1039 -8.1039 -7.9494 -7.9494 0.8328 0.8328 0.8436 0.8436 1.8377 1.8377 2.2943 2.2943 2.3156 2.3156 2.3521 2.3521 4.5957 4.5957 4.6721 4.6721 4.8489 4.8489 6.7409 6.7409 7.2536 7.2536 8.1259 8.1259 9.3689 9.3689 k = 0.1860 0.1860-0.0000 ( 5279 PWs) bands (ev): -24.9767 -24.9767 -24.9105 -24.9105 -24.9052 -24.9052 -9.9514 -9.9514 -8.7812 -8.7812 -8.7529 -8.7529 -8.7055 -8.7055 -8.5344 -8.5344 -8.5267 -8.5267 -8.4527 -8.4527 -8.2144 -8.2144 -8.1051 -8.1051 -7.9678 -7.9678 0.8313 0.8313 0.8414 0.8414 1.8059 1.8059 2.2910 2.2910 2.3104 2.3104 2.3507 2.3507 4.6252 4.6252 4.6963 4.6963 4.8537 4.8537 6.8204 6.8204 7.3269 7.3269 8.1605 8.1605 9.3209 9.3209 k = 0.1744 0.1744-0.0000 ( 5273 PWs) bands (ev): -24.9781 -24.9781 -24.9096 -24.9096 -24.9048 -24.9048 -9.9300 -9.9300 -8.7829 -8.7829 -8.7547 -8.7547 -8.7096 -8.7096 -8.5329 -8.5329 -8.5271 -8.5271 -8.4540 -8.4540 -8.2163 -8.2163 -8.1060 -8.1060 -7.9854 -7.9854 0.8298 0.8298 0.8391 0.8391 1.7750 1.7750 2.2879 2.2879 2.3054 2.3054 2.3494 2.3494 4.6538 4.6538 4.7192 4.7192 4.8582 4.8582 6.9035 6.9035 7.4036 7.4036 8.1968 8.1968 9.2750 9.2750 k = 0.1628 0.1628-0.0000 ( 5281 PWs) bands (ev): -24.9794 -24.9794 -24.9087 -24.9087 -24.9045 -24.9045 -9.9089 -9.9089 -8.7847 -8.7847 -8.7572 -8.7572 -8.7133 -8.7133 -8.5317 -8.5317 -8.5275 -8.5275 -8.4550 -8.4550 -8.2187 -8.2187 -8.1066 -8.1066 -8.0021 -8.0021 0.8283 0.8283 0.8369 0.8369 1.7452 1.7452 2.2849 2.2849 2.3005 2.3005 2.3481 2.3481 4.6813 4.6813 4.7408 4.7408 4.8626 4.8626 6.9897 6.9897 7.4840 7.4840 8.2346 8.2346 9.2311 9.2311 k = 0.1512 0.1512-0.0000 ( 5281 PWs) bands (ev): -24.9807 -24.9807 -24.9079 -24.9079 -24.9041 -24.9041 -9.8881 -9.8881 -8.7868 -8.7868 -8.7602 -8.7602 -8.7165 -8.7165 -8.5305 -8.5305 -8.5277 -8.5277 -8.4556 -8.4556 -8.2216 -8.2216 -8.1071 -8.1071 -8.0177 -8.0177 0.8269 0.8269 0.8347 0.8347 1.7167 1.7167 2.2821 2.2821 2.2958 2.2958 2.3468 2.3468 4.7076 4.7076 4.7610 4.7610 4.8667 4.8667 7.0781 7.0781 7.5680 7.5680 8.2739 8.2739 9.1895 9.1895 k = 0.1395 0.1395-0.0000 ( 5293 PWs) bands (ev): -24.9819 -24.9819 -24.9071 -24.9071 -24.9038 -24.9038 -9.8679 -9.8679 -8.7888 -8.7888 -8.7639 -8.7639 -8.7193 -8.7193 -8.5296 -8.5296 -8.5279 -8.5279 -8.4560 -8.4560 -8.2249 -8.2249 -8.1074 -8.1074 -8.0321 -8.0321 0.8256 0.8256 0.8325 0.8325 1.6896 1.6896 2.2794 2.2794 2.2913 2.2913 2.3455 2.3455 4.7325 4.7325 4.7800 4.7800 4.8706 4.8706 7.1682 7.1682 7.6557 7.6557 8.3145 8.3145 9.1500 9.1500 k = 0.1279 0.1279-0.0000 ( 5287 PWs) bands (ev): -24.9831 -24.9831 -24.9063 -24.9063 -24.9035 -24.9035 -9.8483 -9.8483 -8.7909 -8.7909 -8.7680 -8.7680 -8.7217 -8.7217 -8.5288 -8.5288 -8.5280 -8.5280 -8.4561 -8.4561 -8.2287 -8.2287 -8.1075 -8.1075 -8.0452 -8.0452 0.8243 0.8243 0.8304 0.8304 1.6641 1.6641 2.2768 2.2768 2.2871 2.2871 2.3443 2.3443 4.7557 4.7557 4.7976 4.7976 4.8742 4.8742 7.2589 7.2589 7.7471 7.7471 8.3562 8.3562 9.1128 9.1128 k = 0.1163 0.1163-0.0000 ( 5289 PWs) bands (ev): -24.9841 -24.9841 -24.9056 -24.9056 -24.9033 -24.9033 -9.8296 -9.8296 -8.7930 -8.7930 -8.7725 -8.7725 -8.7237 -8.7237 -8.5282 -8.5282 -8.5281 -8.5281 -8.4561 -8.4561 -8.2328 -8.2328 -8.1075 -8.1075 -8.0568 -8.0568 0.8232 0.8232 0.8284 0.8284 1.6403 1.6403 2.2744 2.2744 2.2831 2.2831 2.3431 2.3431 4.7773 4.7773 4.8139 4.8139 4.8776 4.8776 7.3497 7.3497 7.8420 7.8420 8.3988 8.3988 9.0779 9.0779 k = 0.1047 0.1047-0.0000 ( 5291 PWs) bands (ev): -24.9850 -24.9850 -24.9050 -24.9050 -24.9031 -24.9031 -9.8119 -9.8119 -8.7949 -8.7949 -8.7772 -8.7772 -8.7255 -8.7255 -8.5281 -8.5281 -8.5278 -8.5278 -8.4559 -8.4559 -8.2371 -8.2371 -8.1074 -8.1074 -8.0671 -8.0671 0.8221 0.8221 0.8264 0.8264 1.6185 1.6185 2.2723 2.2723 2.2794 2.2794 2.3420 2.3420 4.7970 4.7970 4.8289 4.8289 4.8808 4.8808 7.4394 7.4394 7.9402 7.9402 8.4421 8.4421 9.0453 9.0453 k = 0.0930 0.0930-0.0000 ( 5297 PWs) bands (ev): -24.9859 -24.9859 -24.9044 -24.9044 -24.9029 -24.9029 -9.7954 -9.7954 -8.7968 -8.7968 -8.7819 -8.7819 -8.7270 -8.7270 -8.5280 -8.5280 -8.5275 -8.5275 -8.4556 -8.4556 -8.2415 -8.2415 -8.1072 -8.1072 -8.0761 -8.0761 0.8211 0.8211 0.8246 0.8246 1.5986 1.5986 2.2703 2.2703 2.2760 2.2760 2.3410 2.3410 4.8146 4.8146 4.8426 4.8426 4.8838 4.8838 7.5272 7.5272 8.0410 8.0410 8.4859 8.4859 9.0150 9.0150 k = 0.0814 0.0814-0.0000 ( 5301 PWs) bands (ev): -24.9867 -24.9867 -24.9039 -24.9039 -24.9027 -24.9027 -9.7802 -9.7802 -8.7985 -8.7985 -8.7865 -8.7865 -8.7284 -8.7284 -8.5280 -8.5280 -8.5274 -8.5274 -8.4551 -8.4551 -8.2459 -8.2459 -8.1071 -8.1071 -8.0836 -8.0836 0.8202 0.8202 0.8230 0.8230 1.5808 1.5808 2.2685 2.2685 2.2729 2.2729 2.3401 2.3401 4.8300 4.8300 4.8550 4.8550 4.8866 4.8866 7.6120 7.6120 8.1438 8.1438 8.5299 8.5299 8.9868 8.9868 k = 0.0698 0.0698-0.0000 ( 5301 PWs) bands (ev): -24.9874 -24.9874 -24.9034 -24.9034 -24.9025 -24.9025 -9.7667 -9.7667 -8.8001 -8.8001 -8.7908 -8.7908 -8.7296 -8.7296 -8.5279 -8.5279 -8.5273 -8.5273 -8.4547 -8.4547 -8.2501 -8.2501 -8.1069 -8.1069 -8.0900 -8.0900 0.8194 0.8194 0.8215 0.8215 1.5652 1.5652 2.2669 2.2669 2.2702 2.2702 2.3393 2.3393 4.8431 4.8431 4.8661 4.8661 4.8893 4.8893 7.6925 7.6925 8.2474 8.2474 8.5737 8.5737 8.9608 8.9608 k = 0.0581 0.0581-0.0000 ( 5303 PWs) bands (ev): -24.9880 -24.9880 -24.9030 -24.9030 -24.9024 -24.9024 -9.7548 -9.7548 -8.8014 -8.8014 -8.7948 -8.7948 -8.7307 -8.7307 -8.5278 -8.5278 -8.5273 -8.5273 -8.4543 -8.4543 -8.2539 -8.2539 -8.1067 -8.1067 -8.0951 -8.0951 0.8187 0.8187 0.8202 0.8202 1.5519 1.5519 2.2656 2.2656 2.2679 2.2679 2.3386 2.3386 4.8537 4.8537 4.8758 4.8758 4.8918 4.8918 7.7671 7.7671 8.3505 8.3505 8.6171 8.6171 8.9367 8.9367 k = 0.0465 0.0465-0.0000 ( 5299 PWs) bands (ev): -24.9884 -24.9884 -24.9027 -24.9027 -24.9023 -24.9023 -9.7449 -9.7449 -8.8025 -8.8025 -8.7981 -8.7981 -8.7315 -8.7315 -8.5277 -8.5277 -8.5273 -8.5273 -8.4539 -8.4539 -8.2572 -8.2572 -8.1065 -8.1065 -8.0992 -8.0992 0.8181 0.8181 0.8191 0.8191 1.5409 1.5409 2.2645 2.2645 2.2660 2.2660 2.3380 2.3380 4.8618 4.8618 4.8841 4.8841 4.8942 4.8942 7.8340 7.8340 8.4513 8.4513 8.6594 8.6594 8.9144 8.9144 k = 0.0349 0.0349-0.0000 ( 5297 PWs) bands (ev): -24.9888 -24.9888 -24.9024 -24.9024 -24.9022 -24.9022 -9.7369 -9.7369 -8.8034 -8.8034 -8.8009 -8.8009 -8.7323 -8.7323 -8.5276 -8.5276 -8.5274 -8.5274 -8.4535 -8.4535 -8.2599 -8.2599 -8.1063 -8.1063 -8.1023 -8.1023 0.8177 0.8177 0.8182 0.8182 1.5323 1.5323 2.2636 2.2636 2.2645 2.2645 2.3375 2.3375 4.8677 4.8677 4.8908 4.8908 4.8963 4.8963 7.8905 7.8905 8.5481 8.5481 8.6997 8.6997 8.8937 8.8937 k = 0.0233 0.0233-0.0000 ( 5299 PWs) bands (ev): -24.9891 -24.9891 -24.9022 -24.9022 -24.9021 -24.9021 -9.7312 -9.7312 -8.8041 -8.8041 -8.8029 -8.8029 -8.7328 -8.7328 -8.5275 -8.5275 -8.5274 -8.5274 -8.4533 -8.4533 -8.2619 -8.2619 -8.1062 -8.1062 -8.1044 -8.1044 0.8174 0.8174 0.8176 0.8176 1.5261 1.5261 2.2630 2.2630 2.2634 2.2634 2.3372 2.3372 4.8717 4.8717 4.8957 4.8957 4.8981 4.8981 7.9340 7.9340 8.6393 8.6393 8.7364 8.7364 8.8744 8.8744 k = 0.0116 0.0116-0.0000 ( 5267 PWs) bands (ev): -24.9892 -24.9892 -24.9021 -24.9021 -24.9020 -24.9020 -9.7277 -9.7277 -8.8044 -8.8044 -8.8041 -8.8041 -8.7331 -8.7331 -8.5274 -8.5274 -8.5274 -8.5274 -8.4531 -8.4531 -8.2632 -8.2632 -8.1061 -8.1061 -8.1057 -8.1057 0.8172 0.8172 0.8172 0.8172 1.5224 1.5224 2.2626 2.2626 2.2627 2.2627 2.3370 2.3370 4.8739 4.8739 4.8987 4.8987 4.8993 4.8993 7.9616 7.9616 8.7231 8.7231 8.7657 8.7657 8.8574 8.8574 k = 0.0000 0.0000 0.0000 ( 5257 PWs) bands (ev): -24.9893 -24.9893 -24.9020 -24.9020 -24.9020 -24.9020 -9.7265 -9.7265 -8.8045 -8.8045 -8.8045 -8.8045 -8.7332 -8.7332 -8.5274 -8.5274 -8.5274 -8.5274 -8.4530 -8.4530 -8.2636 -8.2636 -8.1061 -8.1061 -8.1061 -8.1061 0.8171 0.8171 0.8171 0.8171 1.5211 1.5211 2.2625 2.2625 2.2625 2.2625 2.3369 2.3369 4.8746 4.8746 4.8997 4.8997 4.8997 4.8997 7.9710 7.9710 8.7786 8.7786 8.7786 8.7786 8.8490 8.8490 k = 0.0000 0.0000 0.0000 ( 5257 PWs) bands (ev): -24.9893 -24.9893 -24.9020 -24.9020 -24.9020 -24.9020 -9.7265 -9.7265 -8.8045 -8.8045 -8.8045 -8.8045 -8.7332 -8.7332 -8.5274 -8.5274 -8.5274 -8.5274 -8.4530 -8.4530 -8.2636 -8.2636 -8.1061 -8.1061 -8.1061 -8.1061 0.8171 0.8171 0.8171 0.8171 1.5211 1.5211 2.2625 2.2625 2.2625 2.2625 2.3369 2.3369 4.8746 4.8746 4.8997 4.8997 4.8997 4.8997 7.9710 7.9710 8.7786 8.7786 8.7786 8.7786 8.8490 8.8490 k = 0.0096 0.0096 0.0096 ( 5275 PWs) bands (ev): -24.9892 -24.9892 -24.9021 -24.9021 -24.9021 -24.9021 -9.7277 -9.7277 -8.8044 -8.8044 -8.8042 -8.8042 -8.7331 -8.7331 -8.5275 -8.5275 -8.5274 -8.5274 -8.4531 -8.4531 -8.2631 -8.2631 -8.1061 -8.1061 -8.1057 -8.1057 0.8172 0.8172 0.8172 0.8172 1.5224 1.5224 2.2626 2.2626 2.2627 2.2627 2.3370 2.3370 4.8739 4.8739 4.8988 4.8988 4.8991 4.8991 7.9613 7.9613 8.7258 8.7258 8.7587 8.7587 8.8629 8.8629 k = 0.0192 0.0192 0.0192 ( 5293 PWs) bands (ev): -24.9891 -24.9891 -24.9021 -24.9021 -24.9021 -24.9021 -9.7313 -9.7313 -8.8039 -8.8039 -8.8030 -8.8030 -8.7328 -8.7328 -8.5275 -8.5275 -8.5274 -8.5274 -8.4533 -8.4533 -8.2619 -8.2619 -8.1061 -8.1061 -8.1045 -8.1045 0.8174 0.8174 0.8176 0.8176 1.5262 1.5262 2.2630 2.2630 2.2634 2.2634 2.3372 2.3372 4.8717 4.8717 4.8963 4.8963 4.8973 4.8973 7.9335 7.9335 8.6489 8.6489 8.7093 8.7093 8.8957 8.8957 k = 0.0288 0.0288 0.0288 ( 5287 PWs) bands (ev): -24.9888 -24.9888 -24.9023 -24.9023 -24.9023 -24.9023 -9.7372 -9.7372 -8.8032 -8.8032 -8.8010 -8.8010 -8.7322 -8.7322 -8.5276 -8.5276 -8.5274 -8.5274 -8.4535 -8.4535 -8.2598 -8.2598 -8.1061 -8.1061 -8.1024 -8.1024 0.8177 0.8177 0.8183 0.8183 1.5326 1.5326 2.2637 2.2637 2.2644 2.2644 2.3375 2.3375 4.8680 4.8680 4.8921 4.8921 4.8943 4.8943 7.8906 7.8906 8.5700 8.5700 8.6394 8.6394 8.9413 8.9413 k = 0.0385 0.0385 0.0385 ( 5281 PWs) bands (ev): -24.9884 -24.9884 -24.9025 -24.9025 -24.9025 -24.9025 -9.7454 -9.7454 -8.8021 -8.8021 -8.7983 -8.7983 -8.7315 -8.7315 -8.5276 -8.5276 -8.5273 -8.5273 -8.4539 -8.4539 -8.2570 -8.2570 -8.1060 -8.1060 -8.0995 -8.0995 0.8182 0.8182 0.8191 0.8191 1.5414 1.5414 2.2646 2.2646 2.2660 2.2660 2.3380 2.3380 4.8628 4.8628 4.8862 4.8862 4.8901 4.8901 7.8360 7.8360 8.4912 8.4912 8.5551 8.5551 8.9970 8.9970 k = 0.0481 0.0481 0.0481 ( 5308 PWs) bands (ev): -24.9879 -24.9879 -24.9027 -24.9027 -24.9027 -24.9027 -9.7557 -9.7557 -8.8007 -8.8007 -8.7950 -8.7950 -8.7306 -8.7306 -8.5277 -8.5277 -8.5274 -8.5274 -8.4543 -8.4543 -8.2535 -8.2535 -8.1060 -8.1060 -8.0957 -8.0957 0.8188 0.8188 0.8202 0.8202 1.5527 1.5527 2.2658 2.2658 2.2679 2.2679 2.3386 2.3386 4.8560 4.8560 4.8786 4.8786 4.8849 4.8849 7.7729 7.7729 8.4132 8.4132 8.4615 8.4615 9.0600 9.0600 k = 0.0577 0.0577 0.0577 ( 5302 PWs) bands (ev): -24.9873 -24.9873 -24.9030 -24.9030 -24.9030 -24.9030 -9.7679 -9.7679 -8.7991 -8.7991 -8.7912 -8.7912 -8.7295 -8.7295 -8.5277 -8.5277 -8.5275 -8.5275 -8.4546 -8.4546 -8.2493 -8.2493 -8.1059 -8.1059 -8.0908 -8.0908 0.8195 0.8195 0.8216 0.8216 1.5664 1.5664 2.2672 2.2672 2.2702 2.2702 2.3393 2.3393 4.8476 4.8476 4.8695 4.8695 4.8786 4.8786 7.7038 7.7038 8.3364 8.3364 8.3629 8.3629 9.1279 9.1279 k = 0.0673 0.0673 0.0673 ( 5296 PWs) bands (ev): -24.9866 -24.9866 -24.9033 -24.9033 -24.9033 -24.9033 -9.7821 -9.7821 -8.7973 -8.7973 -8.7870 -8.7870 -8.7282 -8.7282 -8.5277 -8.5277 -8.5277 -8.5277 -8.4550 -8.4550 -8.2447 -8.2447 -8.1058 -8.1058 -8.0848 -8.0848 0.8203 0.8203 0.8231 0.8231 1.5824 1.5824 2.2689 2.2689 2.2728 2.2728 2.3402 2.3402 4.8376 4.8376 4.8587 4.8587 4.8712 4.8712 7.6304 7.6304 8.2609 8.2609 8.2623 8.2623 9.1988 9.1988 k = 0.0769 0.0769 0.0769 ( 5290 PWs) bands (ev): -24.9858 -24.9858 -24.9037 -24.9037 -24.9037 -24.9037 -9.7979 -9.7979 -8.7953 -8.7953 -8.7825 -8.7825 -8.7267 -8.7267 -8.5281 -8.5281 -8.5275 -8.5275 -8.4553 -8.4553 -8.2397 -8.2397 -8.1057 -8.1057 -8.0776 -8.0776 0.8212 0.8212 0.8248 0.8248 1.6007 1.6007 2.2708 2.2708 2.2758 2.2758 2.3411 2.3411 4.8261 4.8261 4.8465 4.8465 4.8627 4.8627 7.5541 7.5541 8.1619 8.1619 8.1871 8.1871 9.2709 9.2709 k = 0.0865 0.0865 0.0865 ( 5278 PWs) bands (ev): -24.9849 -24.9849 -24.9041 -24.9041 -24.9041 -24.9041 -9.8153 -9.8153 -8.7931 -8.7931 -8.7779 -8.7779 -8.7250 -8.7250 -8.5288 -8.5288 -8.5273 -8.5273 -8.4554 -8.4554 -8.2344 -8.2344 -8.1055 -8.1055 -8.0692 -8.0692 0.8222 0.8222 0.8267 0.8267 1.6211 1.6211 2.2728 2.2728 2.2792 2.2792 2.3422 2.3422 4.8129 4.8129 4.8328 4.8328 4.8530 4.8530 7.4758 7.4758 8.0633 8.0633 8.1150 8.1150 9.3433 9.3433 k = 0.0962 0.0962 0.0962 ( 5278 PWs) bands (ev): -24.9839 -24.9839 -24.9045 -24.9045 -24.9045 -24.9045 -9.8340 -9.8340 -8.7909 -8.7909 -8.7734 -8.7734 -8.7230 -8.7230 -8.5297 -8.5297 -8.5269 -8.5269 -8.4554 -8.4554 -8.2290 -8.2290 -8.1053 -8.1053 -8.0595 -8.0595 0.8233 0.8233 0.8287 0.8287 1.6436 1.6436 2.2751 2.2751 2.2828 2.2828 2.3433 2.3433 4.7984 4.7984 4.8177 4.8177 4.8420 4.8420 7.3963 7.3963 7.9677 7.9677 8.0450 8.0450 9.4148 9.4148 k = 0.1058 0.1058 0.1058 ( 5278 PWs) bands (ev): -24.9829 -24.9829 -24.9050 -24.9050 -24.9050 -24.9050 -9.8539 -9.8539 -8.7886 -8.7886 -8.7691 -8.7691 -8.7206 -8.7206 -8.5310 -8.5310 -8.5263 -8.5263 -8.4552 -8.4552 -8.2235 -8.2235 -8.1051 -8.1051 -8.0484 -8.0484 0.8244 0.8244 0.8308 0.8308 1.6680 1.6680 2.2775 2.2775 2.2867 2.2867 2.3445 2.3445 4.7824 4.7824 4.8012 4.8012 4.8297 4.8297 7.3163 7.3163 7.8759 7.8759 7.9771 7.9771 9.4849 9.4849 k = 0.1154 0.1154 0.1154 ( 5278 PWs) bands (ev): -24.9817 -24.9817 -24.9055 -24.9055 -24.9055 -24.9055 -9.8749 -9.8749 -8.7863 -8.7863 -8.7654 -8.7654 -8.7176 -8.7176 -8.5326 -8.5326 -8.5255 -8.5255 -8.4547 -8.4547 -8.2180 -8.2180 -8.1047 -8.1047 -8.0359 -8.0359 0.8257 0.8257 0.8330 0.8330 1.6943 1.6943 2.2801 2.2801 2.2908 2.2908 2.3458 2.3458 4.7651 4.7651 4.7834 4.7834 4.8160 4.8160 7.2363 7.2363 7.7884 7.7884 7.9114 7.9114 9.5532 9.5532 k = 0.1250 0.1250 0.1250 ( 5260 PWs) bands (ev): -24.9805 -24.9805 -24.9061 -24.9061 -24.9061 -24.9061 -9.8968 -9.8968 -8.7841 -8.7841 -8.7623 -8.7623 -8.7140 -8.7140 -8.5346 -8.5346 -8.5244 -8.5244 -8.4539 -8.4539 -8.2126 -8.2126 -8.1043 -8.1043 -8.0221 -8.0221 0.8270 0.8270 0.8353 0.8353 1.7221 1.7221 2.2828 2.2828 2.2951 2.2951 2.3472 2.3472 4.7465 4.7465 4.7645 4.7645 4.8007 4.8007 7.1571 7.1571 7.7055 7.7055 7.8480 7.8480 9.6192 9.6192 k = 0.1346 0.1346 0.1346 ( 5263 PWs) bands (ev): -24.9792 -24.9792 -24.9067 -24.9067 -24.9067 -24.9067 -9.9194 -9.9194 -8.7820 -8.7820 -8.7600 -8.7600 -8.7097 -8.7097 -8.5370 -8.5370 -8.5230 -8.5230 -8.4528 -8.4528 -8.2073 -8.2073 -8.1039 -8.1039 -8.0071 -8.0071 0.8283 0.8283 0.8376 0.8376 1.7515 1.7515 2.2857 2.2857 2.2995 2.2995 2.3486 2.3486 4.7268 4.7268 4.7444 4.7444 4.7838 4.7838 7.0793 7.0793 7.6274 7.6274 7.7872 7.7872 9.6831 9.6831 k = 0.1442 0.1442 0.1442 ( 5269 PWs) bands (ev): -24.9778 -24.9778 -24.9073 -24.9073 -24.9073 -24.9073 -9.9427 -9.9427 -8.7802 -8.7802 -8.7586 -8.7586 -8.7046 -8.7046 -8.5399 -8.5399 -8.5212 -8.5212 -8.4513 -8.4513 -8.2022 -8.2022 -8.1033 -8.1033 -7.9908 -7.9908 0.8296 0.8296 0.8399 0.8399 1.7823 1.7823 2.2885 2.2885 2.3040 2.3040 2.3501 2.3501 4.7061 4.7061 4.7233 4.7233 4.7652 4.7652 7.0035 7.0035 7.5542 7.5542 7.7288 7.7288 9.7448 9.7448 k = 0.1538 0.1538 0.1538 ( 5281 PWs) bands (ev): -24.9764 -24.9764 -24.9080 -24.9080 -24.9080 -24.9080 -9.9664 -9.9664 -8.7786 -8.7786 -8.7581 -8.7581 -8.6989 -8.6989 -8.5431 -8.5431 -8.5191 -8.5191 -8.4496 -8.4496 -8.1971 -8.1971 -8.1027 -8.1027 -7.9735 -7.9735 0.8310 0.8310 0.8422 0.8422 1.8141 1.8141 2.2914 2.2914 2.3086 2.3086 2.3517 2.3517 4.6844 4.6844 4.7013 4.7013 4.7449 4.7449 6.9303 6.9303 7.4857 7.4857 7.6731 7.6731 9.8046 9.8046 k = 0.1635 0.1635 0.1635 ( 5281 PWs) bands (ev): -24.9749 -24.9749 -24.9087 -24.9087 -24.9087 -24.9087 -9.9905 -9.9905 -8.7773 -8.7773 -8.7582 -8.7582 -8.6927 -8.6927 -8.5466 -8.5466 -8.5166 -8.5166 -8.4476 -8.4476 -8.1921 -8.1921 -8.1019 -8.1019 -7.9552 -7.9552 0.8323 0.8323 0.8445 0.8445 1.8469 1.8469 2.2943 2.2943 2.3133 2.3133 2.3534 2.3534 4.6618 4.6618 4.6784 4.6784 4.7228 4.7228 6.8604 6.8604 7.4218 7.4218 7.6200 7.6200 9.8627 9.8627 k = 0.1731 0.1731 0.1731 ( 5281 PWs) bands (ev): -24.9733 -24.9733 -24.9094 -24.9094 -24.9094 -24.9094 -10.0149 -10.0149 -8.7763 -8.7763 -8.7591 -8.7591 -8.6861 -8.6861 -8.5505 -8.5505 -8.5136 -8.5136 -8.4452 -8.4452 -8.1871 -8.1871 -8.1010 -8.1010 -7.9361 -7.9361 0.8337 0.8337 0.8467 0.8467 1.8804 1.8804 2.2972 2.2972 2.3179 2.3179 2.3552 2.3552 4.6385 4.6385 4.6547 4.6547 4.6989 4.6989 6.7943 6.7943 7.3624 7.3624 7.5697 7.5697 9.9192 9.9193 k = 0.1827 0.1827 0.1827 ( 5281 PWs) bands (ev): -24.9717 -24.9717 -24.9101 -24.9101 -24.9101 -24.9101 -10.0394 -10.0394 -8.7757 -8.7757 -8.7605 -8.7605 -8.6791 -8.6791 -8.5546 -8.5546 -8.5101 -8.5101 -8.4426 -8.4426 -8.1822 -8.1822 -8.1000 -8.1000 -7.9162 -7.9162 0.8350 0.8350 0.8488 0.8488 1.9144 1.9144 2.3000 2.3000 2.3224 2.3224 2.3570 2.3570 4.6146 4.6146 4.6304 4.6304 4.6732 4.6732 6.7324 6.7324 7.3074 7.3074 7.5222 7.5222 9.9744 9.9745 k = 0.1923 0.1923 0.1923 ( 5281 PWs) bands (ev): -24.9700 -24.9700 -24.9109 -24.9109 -24.9109 -24.9109 -10.0641 -10.0641 -8.7755 -8.7755 -8.7624 -8.7624 -8.6720 -8.6720 -8.5590 -8.5590 -8.5062 -8.5062 -8.4398 -8.4398 -8.1772 -8.1772 -8.0989 -8.0989 -7.8958 -7.8958 0.8363 0.8363 0.8508 0.8508 1.9486 1.9486 2.3026 2.3026 2.3269 2.3269 2.3591 2.3591 4.5900 4.5900 4.6055 4.6055 4.6459 4.6459 6.6752 6.6752 7.2566 7.2566 7.4774 7.4774 10.0284 10.0284 k = 0.2019 0.2019 0.2019 ( 5272 PWs) bands (ev): -24.9683 -24.9683 -24.9117 -24.9117 -24.9117 -24.9117 -10.0886 -10.0886 -8.7757 -8.7757 -8.7647 -8.7647 -8.6649 -8.6649 -8.5634 -8.5634 -8.5018 -8.5018 -8.4367 -8.4367 -8.1722 -8.1722 -8.0977 -8.0977 -7.8749 -7.8749 0.8375 0.8375 0.8527 0.8527 1.9828 1.9828 2.3051 2.3051 2.3312 2.3312 2.3613 2.3613 4.5650 4.5650 4.5802 4.5802 4.6171 4.6171 6.6230 6.6230 7.2098 7.2098 7.4355 7.4355 10.0780 10.0812 k = 0.2115 0.2115 0.2115 ( 5266 PWs) bands (ev): -24.9665 -24.9665 -24.9125 -24.9125 -24.9125 -24.9125 -10.1131 -10.1131 -8.7764 -8.7764 -8.7673 -8.7673 -8.6578 -8.6578 -8.5679 -8.5679 -8.4969 -8.4969 -8.4335 -8.4335 -8.1671 -8.1671 -8.0963 -8.0963 -7.8537 -7.8537 0.8387 0.8387 0.8544 0.8544 2.0167 2.0167 2.3074 2.3074 2.3354 2.3354 2.3637 2.3637 4.5397 4.5397 4.5545 4.5545 4.5868 4.5868 6.5760 6.5760 7.1669 7.1669 7.3964 7.3964 10.1212 10.1233 k = 0.2212 0.2212 0.2212 ( 5272 PWs) bands (ev): -24.9648 -24.9648 -24.9133 -24.9133 -24.9133 -24.9133 -10.1374 -10.1374 -8.7775 -8.7775 -8.7703 -8.7703 -8.6510 -8.6510 -8.5723 -8.5723 -8.4917 -8.4917 -8.4301 -8.4301 -8.1619 -8.1619 -8.0948 -8.0948 -7.8323 -7.8323 0.8398 0.8398 0.8560 0.8560 2.0500 2.0500 2.3093 2.3093 2.3393 2.3393 2.3664 2.3664 4.5140 4.5140 4.5286 4.5286 4.5554 4.5554 6.5343 6.5343 7.1279 7.1279 7.3601 7.3601 10.1657 10.1657 k = 0.2308 0.2308 0.2308 ( 5284 PWs) bands (ev): -24.9630 -24.9630 -24.9141 -24.9141 -24.9141 -24.9141 -10.1615 -10.1615 -8.7789 -8.7789 -8.7735 -8.7735 -8.6445 -8.6445 -8.5765 -8.5765 -8.4861 -8.4861 -8.4266 -8.4266 -8.1567 -8.1567 -8.0931 -8.0931 -7.8108 -7.8108 0.8409 0.8409 0.8574 0.8574 2.0825 2.0825 2.3110 2.3110 2.3431 2.3431 2.3694 2.3694 4.4882 4.4882 4.5025 4.5025 4.5231 4.5231 6.4981 6.4981 7.0926 7.0926 7.3267 7.3267 10.2089 10.2090 k = 0.2404 0.2404 0.2404 ( 5277 PWs) bands (ev): -24.9612 -24.9612 -24.9149 -24.9149 -24.9149 -24.9149 -10.1852 -10.1852 -8.7808 -8.7808 -8.7769 -8.7769 -8.6386 -8.6386 -8.5802 -8.5802 -8.4801 -8.4801 -8.4229 -8.4229 -8.1513 -8.1513 -8.0913 -8.0913 -7.7892 -7.7892 0.8418 0.8418 0.8586 0.8586 2.1138 2.1138 2.3124 2.3124 2.3465 2.3465 2.3728 2.3728 4.4622 4.4622 4.4764 4.4764 4.4902 4.4902 6.4672 6.4672 7.0609 7.0609 7.2961 7.2961 10.2498 10.2502 k = 0.2500 0.2500 0.2500 ( 5286 PWs) bands (ev): -24.9594 -24.9594 -24.9157 -24.9157 -24.9157 -24.9157 -10.2085 -10.2085 -8.7830 -8.7830 -8.7805 -8.7805 -8.6338 -8.6338 -8.5831 -8.5831 -8.4739 -8.4739 -8.4193 -8.4193 -8.1458 -8.1458 -8.0893 -8.0893 -7.7677 -7.7677 0.8427 0.8427 0.8596 0.8596 2.1436 2.1436 2.3134 2.3134 2.3497 2.3497 2.3767 2.3767 4.4360 4.4360 4.4503 4.4503 4.4572 4.4572 6.4416 6.4416 7.0328 7.0328 7.2682 7.2682 10.2872 10.2875 k = 0.2596 0.2596 0.2596 ( 5286 PWs) bands (ev): -24.9576 -24.9576 -24.9166 -24.9166 -24.9166 -24.9166 -10.2314 -10.2314 -8.7855 -8.7855 -8.7842 -8.7842 -8.6304 -8.6304 -8.5847 -8.5847 -8.4674 -8.4674 -8.4155 -8.4155 -8.1402 -8.1402 -8.0872 -8.0872 -7.7464 -7.7464 0.8435 0.8435 0.8604 0.8604 2.1716 2.1716 2.3141 2.3141 2.3526 2.3526 2.3810 2.3810 4.4094 4.4094 4.4244 4.4244 4.4249 4.4249 6.4212 6.4212 7.0083 7.0083 7.2431 7.2431 10.3197 10.3197 k = 0.2692 0.2692 0.2692 ( 5292 PWs) bands (ev): -24.9558 -24.9558 -24.9174 -24.9174 -24.9174 -24.9174 -10.2539 -10.2539 -8.7883 -8.7883 -8.7880 -8.7880 -8.6289 -8.6289 -8.5845 -8.5845 -8.4608 -8.4608 -8.4118 -8.4118 -8.1345 -8.1345 -8.0850 -8.0850 -7.7254 -7.7254 0.8442 0.8442 0.8609 0.8609 2.1975 2.1975 2.3145 2.3145 2.3552 2.3552 2.3859 2.3859 4.3816 4.3816 4.3942 4.3942 4.3987 4.3987 6.4056 6.4056 6.9871 6.9871 7.2207 7.2207 10.3458 10.3458 k = 0.2788 0.2788 0.2788 ( 5292 PWs) bands (ev): -24.9540 -24.9540 -24.9182 -24.9182 -24.9182 -24.9182 -10.2757 -10.2757 -8.7918 -8.7918 -8.7913 -8.7913 -8.6294 -8.6294 -8.5825 -8.5825 -8.4540 -8.4540 -8.4080 -8.4080 -8.1286 -8.1286 -8.0826 -8.0826 -7.7047 -7.7047 0.8448 0.8448 0.8613 0.8613 2.2209 2.2209 2.3147 2.3147 2.3575 2.3575 2.3915 2.3915 4.3520 4.3520 4.3663 4.3663 4.3734 4.3734 6.3947 6.3947 6.9694 6.9694 7.2008 7.2008 10.3636 10.3636 k = 0.2885 0.2885 0.2885 ( 5289 PWs) bands (ev): -24.9522 -24.9522 -24.9190 -24.9190 -24.9190 -24.9190 -10.2970 -10.2970 -8.7957 -8.7957 -8.7946 -8.7946 -8.6316 -8.6316 -8.5790 -8.5790 -8.4472 -8.4472 -8.4043 -8.4043 -8.1227 -8.1227 -8.0801 -8.0801 -7.6843 -7.6843 0.8453 0.8453 0.8614 0.8614 2.2415 2.2415 2.3148 2.3148 2.3594 2.3594 2.3976 2.3976 4.3217 4.3217 4.3405 4.3405 4.3485 4.3485 6.3881 6.3881 6.9550 6.9550 7.1836 7.1836 10.3717 10.3717 k = 0.2981 0.2981 0.2981 ( 5301 PWs) bands (ev): -24.9505 -24.9505 -24.9198 -24.9198 -24.9198 -24.9198 -10.3176 -10.3176 -8.7997 -8.7997 -8.7980 -8.7980 -8.6349 -8.6349 -8.5745 -8.5745 -8.4403 -8.4403 -8.4006 -8.4006 -8.1168 -8.1168 -8.0775 -8.0775 -7.6645 -7.6645 0.8457 0.8457 0.8614 0.8614 2.2590 2.2590 2.3151 2.3151 2.3611 2.3611 2.4044 2.4044 4.2920 4.2920 4.3159 4.3159 4.3241 4.3241 6.3855 6.3855 6.9440 6.9440 7.1687 7.1687 10.3693 10.3693 k = 0.3077 0.3077 0.3077 ( 5292 PWs) bands (ev): -24.9488 -24.9488 -24.9206 -24.9206 -24.9206 -24.9206 -10.3375 -10.3375 -8.8035 -8.8035 -8.8015 -8.8015 -8.6387 -8.6387 -8.5695 -8.5695 -8.4335 -8.4335 -8.3969 -8.3969 -8.1107 -8.1107 -8.0747 -8.0747 -7.6452 -7.6452 0.8461 0.8461 0.8611 0.8611 2.2728 2.2728 2.3159 2.3159 2.3624 2.3624 2.4117 2.4117 4.2634 4.2634 4.2922 4.2922 4.3003 4.3003 6.3865 6.3865 6.9362 6.9362 7.1562 7.1562 10.3565 10.3565 k = 0.3173 0.3173 0.3173 ( 5286 PWs) bands (ev): -24.9471 -24.9471 -24.9213 -24.9213 -24.9213 -24.9213 -10.3567 -10.3567 -8.8074 -8.8074 -8.8051 -8.8051 -8.6430 -8.6430 -8.5643 -8.5643 -8.4268 -8.4268 -8.3934 -8.3934 -8.1047 -8.1047 -8.0718 -8.0718 -7.6264 -7.6264 0.8463 0.8463 0.8607 0.8607 2.2826 2.2826 2.3180 2.3180 2.3634 2.3634 2.4193 2.4193 4.2364 4.2364 4.2693 4.2693 4.2772 4.2772 6.3907 6.3907 6.9316 6.9316 7.1459 7.1459 10.3344 10.3344 k = 0.3269 0.3269 0.3269 ( 5280 PWs) bands (ev): -24.9455 -24.9455 -24.9221 -24.9221 -24.9220 -24.9220 -10.3751 -10.3751 -8.8112 -8.8112 -8.8087 -8.8087 -8.6474 -8.6474 -8.5590 -8.5590 -8.4203 -8.4203 -8.3899 -8.3899 -8.0986 -8.0986 -8.0689 -8.0689 -7.6083 -7.6083 0.8464 0.8464 0.8600 0.8600 2.2882 2.2882 2.3216 2.3216 2.3641 2.3641 2.4270 2.4270 4.2112 4.2112 4.2472 4.2472 4.2549 4.2549 6.3977 6.3977 6.9302 6.9302 7.1378 7.1378 10.3047 10.3047 k = 0.3365 0.3365 0.3365 ( 5286 PWs) bands (ev): -24.9439 -24.9439 -24.9228 -24.9228 -24.9228 -24.9228 -10.3928 -10.3928 -8.8149 -8.8149 -8.8124 -8.8124 -8.6519 -8.6519 -8.5538 -8.5538 -8.4139 -8.4139 -8.3866 -8.3866 -8.0927 -8.0927 -8.0660 -8.0660 -7.5909 -7.5909 0.8465 0.8465 0.8592 0.8592 2.2902 2.2902 2.3265 2.3265 2.3646 2.3646 2.4344 2.4344 4.1879 4.1879 4.2260 4.2260 4.2333 4.2333 6.4071 6.4071 6.9320 6.9320 7.1316 7.1316 10.2692 10.2692 k = 0.3462 0.3462 0.3462 ( 5292 PWs) bands (ev): -24.9423 -24.9423 -24.9235 -24.9235 -24.9235 -24.9235 -10.4096 -10.4096 -8.8185 -8.8185 -8.8160 -8.8160 -8.6563 -8.6563 -8.5488 -8.5488 -8.4078 -8.4078 -8.3834 -8.3834 -8.0868 -8.0868 -8.0629 -8.0629 -7.5743 -7.5743 0.8465 0.8465 0.8583 0.8583 2.2901 2.2901 2.3316 2.3316 2.3648 2.3648 2.4413 2.4413 4.1665 4.1665 4.2057 4.2057 4.2127 4.2127 6.4182 6.4182 6.9368 6.9368 7.1272 7.1272 10.2296 10.2296 k = 0.3558 0.3558 0.3558 ( 5298 PWs) bands (ev): -24.9409 -24.9409 -24.9241 -24.9241 -24.9241 -24.9241 -10.4255 -10.4255 -8.8220 -8.8220 -8.8196 -8.8196 -8.6607 -8.6607 -8.5439 -8.5439 -8.4019 -8.4019 -8.3804 -8.3804 -8.0810 -8.0810 -8.0599 -8.0599 -7.5584 -7.5584 0.8464 0.8464 0.8573 0.8573 2.2888 2.2888 2.3363 2.3363 2.3648 2.3648 2.4475 2.4475 4.1472 4.1472 4.1863 4.1863 4.1930 4.1930 6.4308 6.4308 6.9445 6.9445 7.1245 7.1245 10.1875 10.1875 k = 0.3654 0.3654 0.3654 ( 5295 PWs) bands (ev): -24.9395 -24.9395 -24.9248 -24.9248 -24.9248 -24.9248 -10.4405 -10.4405 -8.8253 -8.8253 -8.8230 -8.8230 -8.6648 -8.6648 -8.5393 -8.5393 -8.3963 -8.3963 -8.3774 -8.3774 -8.0754 -8.0754 -8.0569 -8.0569 -7.5434 -7.5434 0.8462 0.8462 0.8561 0.8561 2.2867 2.2867 2.3404 2.3404 2.3646 2.3646 2.4528 2.4528 4.1299 4.1299 4.1679 4.1679 4.1743 4.1743 6.4444 6.4444 6.9549 6.9549 7.1232 7.1232 10.1440 10.1441 k = 0.3750 0.3750 0.3750 ( 5304 PWs) bands (ev): -24.9382 -24.9382 -24.9254 -24.9254 -24.9254 -24.9254 -10.4547 -10.4547 -8.8285 -8.8285 -8.8264 -8.8264 -8.6688 -8.6688 -8.5350 -8.5350 -8.3910 -8.3910 -8.3747 -8.3747 -8.0699 -8.0699 -8.0539 -8.0539 -7.5292 -7.5292 0.8461 0.8461 0.8549 0.8549 2.2841 2.2841 2.3440 2.3440 2.3642 2.3642 2.4573 2.4573 4.1145 4.1145 4.1506 4.1506 4.1567 4.1567 6.4585 6.4585 6.9679 6.9679 7.1233 7.1233 10.1003 10.1003 k = 0.3846 0.3846 0.3846 ( 5298 PWs) bands (ev): -24.9369 -24.9369 -24.9259 -24.9259 -24.9259 -24.9259 -10.4678 -10.4678 -8.8315 -8.8315 -8.8296 -8.8296 -8.6726 -8.6726 -8.5309 -8.5309 -8.3860 -8.3860 -8.3721 -8.3721 -8.0647 -8.0647 -8.0510 -8.0510 -7.5160 -7.5160 0.8458 0.8458 0.8536 0.8536 2.2813 2.2813 2.3469 2.3469 2.3637 2.3637 2.4608 2.4608 4.1009 4.1009 4.1344 4.1344 4.1402 4.1402 6.4727 6.4727 6.9831 6.9831 7.1245 7.1245 10.0571 10.0572 k = 0.3942 0.3942 0.3942 ( 5289 PWs) bands (ev): -24.9357 -24.9357 -24.9264 -24.9264 -24.9264 -24.9264 -10.4800 -10.4800 -8.8343 -8.8343 -8.8326 -8.8326 -8.6762 -8.6762 -8.5271 -8.5271 -8.3814 -8.3814 -8.3697 -8.3697 -8.0597 -8.0597 -8.0482 -8.0482 -7.5036 -7.5036 0.8456 0.8456 0.8523 0.8523 2.2783 2.2783 2.3493 2.3493 2.3630 2.3630 2.4635 2.4635 4.0890 4.0890 4.1193 4.1193 4.1248 4.1248 6.4867 6.4867 7.0002 7.0002 7.1266 7.1266 10.0153 10.0396 k = 0.4038 0.4038 0.4038 ( 5295 PWs) bands (ev): -24.9347 -24.9347 -24.9269 -24.9269 -24.9269 -24.9269 -10.4912 -10.4912 -8.8370 -8.8370 -8.8355 -8.8355 -8.6794 -8.6794 -8.5236 -8.5236 -8.3772 -8.3772 -8.3675 -8.3675 -8.0550 -8.0550 -8.0455 -8.0455 -7.4923 -7.4923 0.8453 0.8453 0.8510 0.8510 2.2753 2.2753 2.3513 2.3513 2.3623 2.3623 2.4655 2.4655 4.0788 4.0788 4.1054 4.1054 4.1107 4.1107 6.5002 6.5002 7.0187 7.0187 7.1294 7.1294 9.9752 9.9753 k = 0.4135 0.4135 0.4135 ( 5301 PWs) bands (ev): -24.9337 -24.9337 -24.9274 -24.9274 -24.9274 -24.9274 -10.5014 -10.5014 -8.8394 -8.8394 -8.8382 -8.8382 -8.6825 -8.6825 -8.5204 -8.5204 -8.3733 -8.3733 -8.3655 -8.3655 -8.0507 -8.0507 -8.0430 -8.0430 -7.4820 -7.4820 0.8450 0.8450 0.8498 0.8498 2.2723 2.2723 2.3528 2.3528 2.3616 2.3616 2.4669 2.4669 4.0700 4.0700 4.0928 4.0928 4.0978 4.0978 6.5130 6.5130 7.0381 7.0381 7.1328 7.1328 9.9376 9.9376 k = 0.4231 0.4231 0.4231 ( 5298 PWs) bands (ev): -24.9328 -24.9328 -24.9278 -24.9278 -24.9278 -24.9278 -10.5106 -10.5106 -8.8416 -8.8416 -8.8406 -8.8406 -8.6852 -8.6852 -8.5175 -8.5175 -8.3699 -8.3699 -8.3637 -8.3637 -8.0467 -8.0467 -8.0406 -8.0406 -7.4726 -7.4726 0.8447 0.8447 0.8486 0.8486 2.2693 2.2693 2.3541 2.3541 2.3609 2.3609 2.4677 2.4677 4.0625 4.0625 4.0814 4.0814 4.0861 4.0861 6.5248 6.5248 7.0579 7.0579 7.1364 7.1364 9.9027 9.9027 k = 0.4327 0.4327 0.4327 ( 5304 PWs) bands (ev): -24.9320 -24.9320 -24.9281 -24.9281 -24.9281 -24.9281 -10.5187 -10.5187 -8.8435 -8.8435 -8.8428 -8.8428 -8.6876 -8.6876 -8.5150 -8.5150 -8.3668 -8.3668 -8.3621 -8.3621 -8.0431 -8.0431 -8.0384 -8.0384 -7.4644 -7.4644 0.8444 0.8444 0.8475 0.8475 2.2666 2.2666 2.3550 2.3550 2.3601 2.3601 2.4682 2.4682 4.0562 4.0562 4.0714 4.0714 4.0758 4.0758 6.5356 6.5356 7.0774 7.0774 7.1402 7.1402 9.8711 9.8711 k = 0.4423 0.4423 0.4423 ( 5313 PWs) bands (ev): -24.9313 -24.9313 -24.9285 -24.9285 -24.9285 -24.9285 -10.5258 -10.5258 -8.8453 -8.8453 -8.8447 -8.8447 -8.6898 -8.6898 -8.5128 -8.5128 -8.3642 -8.3642 -8.3607 -8.3607 -8.0400 -8.0400 -8.0365 -8.0365 -7.4572 -7.4572 0.8442 0.8442 0.8464 0.8464 2.2640 2.2640 2.3558 2.3558 2.3594 2.3594 2.4684 2.4684 4.0508 4.0508 4.0628 4.0628 4.0668 4.0668 6.5451 6.5451 7.0959 7.0959 7.1439 7.1439 9.8431 9.8550 k = 0.4519 0.4519 0.4519 ( 5316 PWs) bands (ev): -24.9307 -24.9307 -24.9287 -24.9287 -24.9287 -24.9287 -10.5318 -10.5318 -8.8467 -8.8467 -8.8463 -8.8463 -8.6916 -8.6916 -8.5110 -8.5110 -8.3619 -8.3619 -8.3595 -8.3595 -8.0373 -8.0373 -8.0349 -8.0349 -7.4510 -7.4510 0.8439 0.8439 0.8455 0.8455 2.2617 2.2617 2.3563 2.3563 2.3588 2.3588 2.4684 2.4684 4.0463 4.0463 4.0556 4.0556 4.0591 4.0591 6.5532 6.5532 7.1130 7.1130 7.1474 7.1474 9.8192 9.8278 k = 0.4615 0.4615 0.4615 ( 5316 PWs) bands (ev): -24.9302 -24.9302 -24.9289 -24.9289 -24.9289 -24.9289 -10.5367 -10.5367 -8.8479 -8.8479 -8.8477 -8.8477 -8.6931 -8.6931 -8.5094 -8.5094 -8.3600 -8.3600 -8.3585 -8.3585 -8.0350 -8.0350 -8.0335 -8.0335 -7.4460 -7.4460 0.8437 0.8437 0.8448 0.8448 2.2598 2.2598 2.3567 2.3567 2.3582 2.3582 2.4683 2.4683 4.0425 4.0425 4.0501 4.0501 4.0528 4.0528 6.5600 6.5600 7.1278 7.1278 7.1505 7.1505 9.8047 9.8048 k = 0.4712 0.4712 0.4712 ( 5316 PWs) bands (ev): -24.9298 -24.9298 -24.9291 -24.9291 -24.9291 -24.9291 -10.5406 -10.5406 -8.8489 -8.8489 -8.8487 -8.8487 -8.6943 -8.6943 -8.5082 -8.5082 -8.3586 -8.3586 -8.3577 -8.3577 -8.0332 -8.0332 -8.0324 -8.0324 -7.4420 -7.4420 0.8436 0.8436 0.8441 0.8441 2.2582 2.2582 2.3569 2.3569 2.3578 2.3578 2.4682 2.4682 4.0392 4.0392 4.0460 4.0460 4.0479 4.0479 6.5654 6.5654 7.1400 7.1400 7.1531 7.1531 9.7862 9.7863 k = 0.4808 0.4808 0.4808 ( 5316 PWs) bands (ev): -24.9296 -24.9296 -24.9292 -24.9292 -24.9292 -24.9292 -10.5433 -10.5433 -8.8496 -8.8496 -8.8495 -8.8495 -8.6951 -8.6951 -8.5074 -8.5074 -8.3576 -8.3576 -8.3572 -8.3572 -8.0319 -8.0319 -8.0316 -8.0316 -7.4392 -7.4392 0.8434 0.8434 0.8437 0.8437 2.2571 2.2571 2.3571 2.3571 2.3575 2.3575 2.4681 2.4681 4.0367 4.0367 4.0434 4.0434 4.0444 4.0444 6.5692 6.5692 7.1491 7.1491 7.1550 7.1550 9.7727 9.7728 k = 0.4904 0.4904 0.4904 ( 5310 PWs) bands (ev): -24.9294 -24.9294 -24.9293 -24.9293 -24.9293 -24.9293 -10.5450 -10.5450 -8.8500 -8.8500 -8.8499 -8.8499 -8.6956 -8.6956 -8.5069 -8.5069 -8.3570 -8.3570 -8.3569 -8.3569 -8.0312 -8.0312 -8.0311 -8.0311 -7.4375 -7.4375 0.8434 0.8434 0.8434 0.8434 2.2564 2.2564 2.3572 2.3572 2.3573 2.3573 2.4680 2.4680 4.0350 4.0350 4.0420 4.0420 4.0423 4.0423 6.5715 6.5715 7.1547 7.1547 7.1561 7.1561 9.7646 9.7647 k = 0.5000 0.5000 0.5000 ( 5232 PWs) bands (ev): -24.9293 -24.9293 -24.9293 -24.9293 -24.9293 -24.9293 -10.5455 -10.5455 -8.8500 -8.8500 -8.8500 -8.8500 -8.6956 -8.6956 -8.5066 -8.5066 -8.3567 -8.3567 -8.3567 -8.3567 -8.0308 -8.0308 -8.0308 -8.0308 -7.4369 -7.4369 0.8434 0.8434 0.8434 0.8434 2.2561 2.2561 2.3572 2.3572 2.3572 2.3572 2.4680 2.4680 4.0345 4.0345 4.0416 4.0416 4.0416 4.0416 6.5723 6.5723 7.1566 7.1566 7.1566 7.1566 9.7620 9.7620 k = 0.5000 0.5000 0.5000 ( 5232 PWs) bands (ev): -24.9293 -24.9293 -24.9293 -24.9293 -24.9293 -24.9293 -10.5455 -10.5455 -8.8500 -8.8500 -8.8500 -8.8500 -8.6956 -8.6956 -8.5066 -8.5066 -8.3567 -8.3567 -8.3567 -8.3567 -8.0308 -8.0308 -8.0308 -8.0308 -7.4369 -7.4369 0.8434 0.8434 0.8434 0.8434 2.2561 2.2561 2.3572 2.3572 2.3572 2.3572 2.4680 2.4680 4.0345 4.0345 4.0416 4.0416 4.0416 4.0416 6.5723 6.5723 7.1566 7.1566 7.1566 7.1566 9.7620 9.7620 k = 0.4884 0.5000 0.4884 ( 5314 PWs) bands (ev): -24.9294 -24.9294 -24.9293 -24.9293 -24.9293 -24.9293 -10.5450 -10.5450 -8.8500 -8.8500 -8.8499 -8.8499 -8.6956 -8.6956 -8.5069 -8.5069 -8.3570 -8.3570 -8.3569 -8.3569 -8.0312 -8.0312 -8.0310 -8.0310 -7.4375 -7.4375 0.8434 0.8434 0.8434 0.8434 2.2564 2.2564 2.3572 2.3572 2.3573 2.3573 2.4680 2.4680 4.0350 4.0350 4.0418 4.0418 4.0424 4.0424 6.5715 6.5715 7.1545 7.1545 7.1564 7.1564 9.7640 9.7646 k = 0.4767 0.5000 0.4767 ( 5314 PWs) bands (ev): -24.9295 -24.9295 -24.9293 -24.9293 -24.9292 -24.9292 -10.5434 -10.5434 -8.8497 -8.8497 -8.8494 -8.8494 -8.6951 -8.6951 -8.5074 -8.5074 -8.3576 -8.3576 -8.3571 -8.3571 -8.0322 -8.0322 -8.0313 -8.0313 -7.4392 -7.4392 0.8435 0.8435 0.8437 0.8437 2.2570 2.2570 2.3570 2.3570 2.3575 2.3575 2.4681 2.4681 4.0362 4.0362 4.0429 4.0429 4.0451 4.0451 6.5693 6.5693 7.1483 7.1483 7.1560 7.1560 9.7699 9.7703 k = 0.4651 0.5000 0.4651 ( 5314 PWs) bands (ev): -24.9297 -24.9297 -24.9293 -24.9293 -24.9290 -24.9290 -10.5407 -10.5407 -8.8492 -8.8492 -8.8485 -8.8485 -8.6943 -8.6943 -8.5082 -8.5082 -8.3587 -8.3587 -8.3576 -8.3576 -8.0337 -8.0337 -8.0318 -8.0318 -7.4419 -7.4419 0.8436 0.8436 0.8441 0.8441 2.2582 2.2582 2.3568 2.3568 2.3579 2.3579 2.4682 2.4682 4.0374 4.0374 4.0454 4.0454 4.0498 4.0498 6.5654 6.5654 7.1383 7.1383 7.1554 7.1554 9.7797 9.7797 k = 0.4535 0.5000 0.4535 ( 5314 PWs) bands (ev): -24.9300 -24.9300 -24.9294 -24.9294 -24.9288 -24.9288 -10.5370 -10.5370 -8.8485 -8.8485 -8.8472 -8.8472 -8.6931 -8.6931 -8.5094 -8.5094 -8.3601 -8.3601 -8.3583 -8.3583 -8.0358 -8.0358 -8.0325 -8.0325 -7.4457 -7.4457 0.8438 0.8438 0.8447 0.8447 2.2597 2.2597 2.3565 2.3565 2.3584 2.3584 2.4684 2.4684 4.0382 4.0382 4.0497 4.0497 4.0566 4.0566 6.5601 6.5601 7.1246 7.1246 7.1550 7.1550 9.7930 9.7930 k = 0.4419 0.5000 0.4419 ( 5314 PWs) bands (ev): -24.9304 -24.9304 -24.9294 -24.9294 -24.9284 -24.9284 -10.5322 -10.5322 -8.8476 -8.8476 -8.8456 -8.8456 -8.6917 -8.6917 -8.5109 -8.5109 -8.3620 -8.3620 -8.3592 -8.3592 -8.0385 -8.0385 -8.0334 -8.0334 -7.4506 -7.4506 0.8440 0.8440 0.8454 0.8454 2.2616 2.2616 2.3561 2.3561 2.3590 2.3590 2.4686 2.4686 4.0386 4.0386 4.0556 4.0556 4.0655 4.0655 6.5531 6.5531 7.1076 7.1076 7.1548 7.1548 9.8096 9.8096 k = 0.4302 0.5000 0.4302 ( 5310 PWs) bands (ev): -24.9308 -24.9308 -24.9294 -24.9294 -24.9280 -24.9280 -10.5264 -10.5264 -8.8465 -8.8465 -8.8437 -8.8437 -8.6899 -8.6899 -8.5127 -8.5127 -8.3643 -8.3643 -8.3602 -8.3602 -8.0418 -8.0418 -8.0345 -8.0345 -7.4564 -7.4564 0.8443 0.8443 0.8462 0.8462 2.2639 2.2639 2.3554 2.3554 2.3598 2.3598 2.4687 2.4687 4.0391 4.0391 4.0628 4.0628 4.0763 4.0763 6.5444 6.5444 7.0877 7.0877 7.1554 7.1554 9.8294 9.8294 k = 0.4186 0.5000 0.4186 ( 5308 PWs) bands (ev): -24.9313 -24.9313 -24.9294 -24.9294 -24.9276 -24.9276 -10.5195 -10.5195 -8.8452 -8.8452 -8.8414 -8.8414 -8.6878 -8.6878 -8.5149 -8.5149 -8.3670 -8.3670 -8.3615 -8.3615 -8.0455 -8.0455 -8.0358 -8.0358 -7.4633 -7.4633 0.8446 0.8446 0.8472 0.8472 2.2665 2.2665 2.3546 2.3546 2.3606 2.3606 2.4688 2.4688 4.0396 4.0396 4.0714 4.0714 4.0891 4.0891 6.5340 6.5340 7.0656 7.0656 7.1568 7.1568 9.8520 9.8520 k = 0.4070 0.5000 0.4070 ( 5308 PWs) bands (ev): -24.9319 -24.9319 -24.9294 -24.9294 -24.9271 -24.9271 -10.5117 -10.5117 -8.8437 -8.8437 -8.8389 -8.8389 -8.6854 -8.6854 -8.5174 -8.5174 -8.3701 -8.3701 -8.3629 -8.3629 -8.0498 -8.0498 -8.0373 -8.0373 -7.4710 -7.4710 0.8450 0.8450 0.8482 0.8482 2.2693 2.2693 2.3536 2.3536 2.3615 2.3615 2.4688 2.4688 4.0404 4.0404 4.0813 4.0813 4.1038 4.1038 6.5219 6.5219 7.0418 7.0418 7.1595 7.1595 9.8775 9.8775 k = 0.3953 0.5000 0.3953 ( 5312 PWs) bands (ev): -24.9326 -24.9326 -24.9294 -24.9294 -24.9265 -24.9265 -10.5029 -10.5029 -8.8421 -8.8421 -8.8361 -8.8361 -8.6826 -8.6826 -8.5202 -8.5202 -8.3735 -8.3735 -8.3645 -8.3645 -8.0545 -8.0545 -8.0390 -8.0390 -7.4797 -7.4797 0.8454 0.8454 0.8494 0.8494 2.2723 2.2723 2.3523 2.3523 2.3625 2.3625 2.4686 2.4686 4.0415 4.0415 4.0924 4.0924 4.1202 4.1202 6.5079 6.5079 7.0170 7.0170 7.1637 7.1637 9.9056 9.9056 k = 0.3837 0.5000 0.3837 ( 5300 PWs) bands (ev): -24.9333 -24.9333 -24.9294 -24.9294 -24.9258 -24.9258 -10.4932 -10.4932 -8.8402 -8.8402 -8.8330 -8.8330 -8.6796 -8.6796 -8.5233 -8.5233 -8.3774 -8.3774 -8.3663 -8.3663 -8.0596 -8.0596 -8.0410 -8.0410 -7.4892 -7.4892 0.8458 0.8458 0.8506 0.8506 2.2754 2.2754 2.3507 2.3507 2.3635 2.3635 2.4682 2.4682 4.0430 4.0430 4.1047 4.1047 4.1383 4.1383 6.4920 6.4920 6.9919 6.9919 7.1696 7.1696 9.9364 9.9364 k = 0.3721 0.5000 0.3721 ( 5296 PWs) bands (ev): -24.9340 -24.9340 -24.9294 -24.9294 -24.9251 -24.9251 -10.4825 -10.4825 -8.8382 -8.8382 -8.8297 -8.8297 -8.6763 -8.6763 -8.5268 -8.5268 -8.3815 -8.3815 -8.3682 -8.3682 -8.0650 -8.0650 -8.0432 -8.0432 -7.4995 -7.4995 0.8462 0.8462 0.8518 0.8518 2.2786 2.2786 2.3488 2.3488 2.3645 2.3645 2.4675 2.4675 4.0451 4.0451 4.1183 4.1183 4.1580 4.1580 6.4739 6.4739 6.9674 6.9674 7.1774 7.1774 9.9697 9.9697 k = 0.3605 0.5000 0.3605 ( 5300 PWs) bands (ev): -24.9349 -24.9349 -24.9295 -24.9295 -24.9244 -24.9244 -10.4710 -10.4710 -8.8360 -8.8360 -8.8263 -8.8263 -8.6727 -8.6727 -8.5306 -8.5306 -8.3861 -8.3861 -8.3704 -8.3704 -8.0708 -8.0708 -8.0456 -8.0456 -7.5104 -7.5104 0.8466 0.8466 0.8531 0.8531 2.2817 2.2817 2.3466 2.3466 2.3655 2.3655 2.4664 2.4664 4.0478 4.0478 4.1331 4.1331 4.1792 4.1792 6.4536 6.4536 6.9442 6.9442 7.1871 7.1871 10.0055 10.0055 k = 0.3488 0.5000 0.3488 ( 5296 PWs) bands (ev): -24.9358 -24.9358 -24.9295 -24.9295 -24.9236 -24.9236 -10.4587 -10.4587 -8.8336 -8.8336 -8.8226 -8.8226 -8.6688 -8.6688 -8.5347 -8.5347 -8.3909 -8.3909 -8.3727 -8.3727 -8.0768 -8.0768 -8.0482 -8.0482 -7.5220 -7.5220 0.8470 0.8470 0.8544 0.8544 2.2848 2.2848 2.3441 2.3441 2.3663 2.3663 2.4650 2.4650 4.0512 4.0512 4.1491 4.1491 4.2018 4.2018 6.4308 6.4308 6.9233 6.9233 7.1989 7.1989 10.0438 10.0438 k = 0.3372 0.5000 0.3372 ( 5280 PWs) bands (ev): -24.9367 -24.9367 -24.9295 -24.9295 -24.9227 -24.9227 -10.4455 -10.4455 -8.8310 -8.8310 -8.8187 -8.8187 -8.6647 -8.6647 -8.5392 -8.5392 -8.3960 -8.3960 -8.3752 -8.3752 -8.0831 -8.0831 -8.0511 -8.0511 -7.5341 -7.5341 0.8473 0.8473 0.8556 0.8556 2.2876 2.2876 2.3414 2.3414 2.3671 2.3671 2.4631 2.4631 4.0554 4.0554 4.1662 4.1662 4.2256 4.2256 6.4054 6.4054 6.9054 6.9054 7.2128 7.2128 10.0845 10.0845 k = 0.3256 0.5000 0.3256 ( 5276 PWs) bands (ev): -24.9377 -24.9377 -24.9295 -24.9295 -24.9219 -24.9219 -10.4316 -10.4316 -8.8283 -8.8283 -8.8148 -8.8148 -8.6603 -8.6603 -8.5439 -8.5439 -8.4014 -8.4014 -8.3778 -8.3778 -8.0896 -8.0896 -8.0542 -8.0542 -7.5468 -7.5468 0.8477 0.8477 0.8568 0.8568 2.2899 2.2899 2.3384 2.3384 2.3676 2.3676 2.4609 2.4609 4.0605 4.0605 4.1845 4.1845 4.2506 4.2506 6.3772 6.3772 6.8913 6.8913 7.2288 7.2288 10.1274 10.1274 k = 0.3140 0.5000 0.3140 ( 5272 PWs) bands (ev): -24.9387 -24.9387 -24.9295 -24.9295 -24.9210 -24.9210 -10.4170 -10.4170 -8.8254 -8.8254 -8.8108 -8.8108 -8.6558 -8.6558 -8.5489 -8.5489 -8.4070 -8.4070 -8.3806 -8.3806 -8.0962 -8.0962 -8.0575 -8.0575 -7.5597 -7.5597 0.8480 0.8480 0.8580 0.8580 2.2916 2.2916 2.3354 2.3354 2.3678 2.3678 2.4584 2.4584 4.0665 4.0665 4.2038 4.2038 4.2766 4.2766 6.3462 6.3462 6.8816 6.8816 7.2469 7.2469 10.1726 10.1726 k = 0.3023 0.5000 0.3023 ( 5264 PWs) bands (ev): -24.9397 -24.9397 -24.9295 -24.9295 -24.9200 -24.9200 -10.4017 -10.4017 -8.8224 -8.8224 -8.8067 -8.8067 -8.6511 -8.6511 -8.5541 -8.5541 -8.4128 -8.4128 -8.3835 -8.3835 -8.1029 -8.1029 -8.0611 -8.0611 -7.5730 -7.5730 0.8483 0.8483 0.8591 0.8591 2.2922 2.2922 2.3326 2.3326 2.3677 2.3677 2.4556 2.4556 4.0735 4.0735 4.2242 4.2242 4.3034 4.3034 6.3124 6.3124 6.8767 6.8767 7.2670 7.2670 10.2197 10.2198 k = 0.2907 0.5000 0.2907 ( 5272 PWs) bands (ev): -24.9408 -24.9408 -24.9296 -24.9296 -24.9191 -24.9191 -10.3859 -10.3859 -8.8192 -8.8192 -8.8025 -8.8025 -8.6463 -8.6463 -8.5596 -8.5596 -8.4188 -8.4188 -8.3866 -8.3866 -8.1098 -8.1098 -8.0649 -8.0649 -7.5865 -7.5865 0.8485 0.8485 0.8601 0.8601 2.2913 2.2913 2.3305 2.3305 2.3671 2.3671 2.4528 2.4528 4.0814 4.0814 4.2456 4.2456 4.3310 4.3310 6.2760 6.2760 6.8769 6.8769 7.2891 7.2891 10.2687 10.2687 k = 0.2791 0.5000 0.2791 ( 5274 PWs) bands (ev): -24.9419 -24.9419 -24.9296 -24.9296 -24.9181 -24.9181 -10.3695 -10.3695 -8.8159 -8.8159 -8.7984 -8.7984 -8.6414 -8.6414 -8.5652 -8.5652 -8.4250 -8.4250 -8.3899 -8.3899 -8.1167 -8.1167 -8.0690 -8.0690 -7.6001 -7.6001 0.8487 0.8487 0.8610 0.8610 2.2883 2.2883 2.3292 2.3292 2.3661 2.3661 2.4501 2.4501 4.0903 4.0903 4.2679 4.2679 4.3592 4.3592 6.2373 6.2373 6.8824 6.8824 7.3132 7.3132 10.3189 10.3189 k = 0.2674 0.5000 0.2674 ( 5282 PWs) bands (ev): -24.9430 -24.9430 -24.9296 -24.9296 -24.9171 -24.9171 -10.3527 -10.3527 -8.8125 -8.8125 -8.7944 -8.7944 -8.6366 -8.6366 -8.5709 -8.5709 -8.4312 -8.4312 -8.3933 -8.3933 -8.1237 -8.1237 -8.0732 -8.0732 -7.6136 -7.6136 0.8488 0.8488 0.8618 0.8618 2.2833 2.2833 2.3289 2.3289 2.3647 2.3647 2.4475 2.4475 4.1001 4.1001 4.2911 4.2911 4.3878 4.3878 6.1965 6.1965 6.8930 6.8930 7.3391 7.3391 10.3690 10.3690 k = 0.2558 0.5000 0.2558 ( 5286 PWs) bands (ev): -24.9442 -24.9442 -24.9297 -24.9297 -24.9161 -24.9161 -10.3355 -10.3355 -8.8089 -8.8089 -8.7903 -8.7903 -8.6318 -8.6318 -8.5766 -8.5766 -8.4376 -8.4376 -8.3968 -8.3968 -8.1306 -8.1306 -8.0776 -8.0776 -7.6271 -7.6271 0.8489 0.8489 0.8625 0.8625 2.2761 2.2761 2.3293 2.3293 2.3628 2.3628 2.4454 2.4454 4.1108 4.1108 4.3152 4.3152 4.4168 4.4168 6.1541 6.1541 6.9087 6.9087 7.3669 7.3669 10.4143 10.4143 k = 0.2442 0.5000 0.2442 ( 5286 PWs) bands (ev): -24.9453 -24.9453 -24.9297 -24.9297 -24.9151 -24.9151 -10.3180 -10.3180 -8.8053 -8.8053 -8.7864 -8.7864 -8.6274 -8.6274 -8.5821 -8.5821 -8.4440 -8.4440 -8.4005 -8.4005 -8.1377 -8.1377 -8.0821 -8.0821 -7.6403 -7.6403 0.8489 0.8489 0.8631 0.8631 2.2671 2.2671 2.3302 2.3302 2.3606 2.3606 2.4437 2.4437 4.1221 4.1221 4.3402 4.3402 4.4458 4.4458 6.1103 6.1103 6.9293 6.9293 7.3964 7.3964 10.4486 10.4486 k = 0.2326 0.5000 0.2326 ( 5278 PWs) bands (ev): -24.9464 -24.9464 -24.9297 -24.9297 -24.9141 -24.9141 -10.3002 -10.3002 -8.8015 -8.8015 -8.7826 -8.7826 -8.6235 -8.6235 -8.5870 -8.5870 -8.4504 -8.4504 -8.4043 -8.4043 -8.1447 -8.1447 -8.0867 -8.0867 -7.6533 -7.6533 0.8488 0.8488 0.8635 0.8635 2.2564 2.2564 2.3313 2.3313 2.3582 2.3582 2.4425 2.4425 4.1342 4.1342 4.3658 4.3658 4.4749 4.4749 6.0656 6.0656 6.9544 6.9544 7.4276 7.4276 10.4740 10.4740 k = 0.2209 0.5000 0.2209 ( 5280 PWs) bands (ev): -24.9475 -24.9475 -24.9297 -24.9297 -24.9131 -24.9131 -10.2823 -10.2823 -8.7977 -8.7977 -8.7790 -8.7790 -8.6210 -8.6210 -8.5908 -8.5908 -8.4568 -8.4568 -8.4083 -8.4083 -8.1517 -8.1517 -8.0914 -8.0914 -7.6659 -7.6659 0.8487 0.8487 0.8639 0.8639 2.2444 2.2444 2.3321 2.3321 2.3559 2.3559 2.4417 2.4417 4.1467 4.1467 4.3921 4.3921 4.5038 4.5038 6.0202 6.0202 6.9839 6.9839 7.4604 7.4604 10.4928 10.4928 k = 0.2093 0.5000 0.2093 ( 5284 PWs) bands (ev): -24.9486 -24.9486 -24.9298 -24.9298 -24.9121 -24.9121 -10.2643 -10.2643 -8.7938 -8.7938 -8.7755 -8.7755 -8.6205 -8.6205 -8.5924 -8.5924 -8.4631 -8.4631 -8.4123 -8.4123 -8.1587 -8.1587 -8.0961 -8.0961 -7.6781 -7.6781 0.8484 0.8484 0.8641 0.8641 2.2312 2.2312 2.3325 2.3325 2.3540 2.3540 2.4414 2.4414 4.1596 4.1596 4.4191 4.4191 4.5324 4.5324 5.9743 5.9743 7.0174 7.0174 7.4947 7.4947 10.5052 10.5055 k = 0.1977 0.5000 0.1977 ( 5266 PWs) bands (ev): -24.9497 -24.9497 -24.9298 -24.9298 -24.9111 -24.9111 -10.2464 -10.2464 -8.7900 -8.7900 -8.7721 -8.7721 -8.6226 -8.6226 -8.5916 -8.5916 -8.4693 -8.4693 -8.4165 -8.4165 -8.1656 -8.1656 -8.1007 -8.1007 -7.6898 -7.6898 0.8481 0.8481 0.8643 0.8643 2.2171 2.2171 2.3322 2.3322 2.3527 2.3527 2.4415 2.4415 4.1727 4.1727 4.4466 4.4466 4.5605 4.5605 5.9284 5.9284 7.0544 7.0544 7.5304 7.5304 10.4596 10.4597 k = 0.1860 0.5000 0.1860 ( 5274 PWs) bands (ev): -24.9507 -24.9507 -24.9298 -24.9298 -24.9102 -24.9102 -10.2286 -10.2286 -8.7862 -8.7862 -8.7689 -8.7689 -8.6265 -8.6265 -8.5890 -8.5890 -8.4755 -8.4755 -8.4208 -8.4208 -8.1726 -8.1726 -8.1053 -8.1053 -7.7009 -7.7009 0.8477 0.8477 0.8643 0.8643 2.2023 2.2023 2.3311 2.3311 2.3522 2.3522 2.4418 2.4418 4.1860 4.1860 4.4745 4.4745 4.5880 4.5880 5.8826 5.8826 7.0946 7.0946 7.5674 7.5674 10.3943 10.3943 k = 0.1744 0.5000 0.1744 ( 5262 PWs) bands (ev): -24.9517 -24.9517 -24.9298 -24.9298 -24.9092 -24.9092 -10.2110 -10.2110 -8.7826 -8.7826 -8.7659 -8.7659 -8.6313 -8.6313 -8.5853 -8.5853 -8.4814 -8.4814 -8.4252 -8.4252 -8.1794 -8.1794 -8.1097 -8.1097 -7.7114 -7.7114 0.8473 0.8473 0.8643 0.8643 2.1871 2.1871 2.3292 2.3292 2.3524 2.3524 2.4424 2.4424 4.1991 4.1991 4.5028 4.5028 4.6148 4.6148 5.8371 5.8371 7.1373 7.1373 7.6056 7.6056 10.3299 10.3299 k = 0.1628 0.5000 0.1628 ( 5262 PWs) bands (ev): -24.9527 -24.9527 -24.9298 -24.9298 -24.9084 -24.9084 -10.1938 -10.1938 -8.7794 -8.7794 -8.7628 -8.7628 -8.6365 -8.6365 -8.5813 -8.5813 -8.4872 -8.4872 -8.4296 -8.4296 -8.1861 -8.1861 -8.1139 -8.1139 -7.7213 -7.7213 0.8467 0.8467 0.8642 0.8642 2.1716 2.1716 2.3269 2.3269 2.3531 2.3531 2.4431 2.4431 4.2121 4.2121 4.5314 4.5314 4.6405 4.6405 5.7921 5.7921 7.1821 7.1821 7.6450 7.6450 10.2670 10.2670 k = 0.1512 0.5000 0.1512 ( 5274 PWs) bands (ev): -24.9536 -24.9536 -24.9299 -24.9299 -24.9075 -24.9075 -10.1771 -10.1771 -8.7765 -8.7765 -8.7597 -8.7597 -8.6417 -8.6417 -8.5773 -8.5773 -8.4927 -8.4927 -8.4343 -8.4343 -8.1927 -8.1927 -8.1180 -8.1180 -7.7305 -7.7305 0.8461 0.8461 0.8641 0.8641 2.1562 2.1562 2.3243 2.3243 2.3541 2.3541 2.4439 2.4439 4.2247 4.2247 4.5601 4.5601 4.6653 4.6653 5.7478 5.7478 7.2282 7.2282 7.6852 7.6852 10.2059 10.2059 k = 0.1395 0.5000 0.1395 ( 5278 PWs) bands (ev): -24.9545 -24.9545 -24.9299 -24.9299 -24.9067 -24.9067 -10.1609 -10.1609 -8.7743 -8.7743 -8.7563 -8.7563 -8.6469 -8.6469 -8.5733 -8.5733 -8.4978 -8.4978 -8.4389 -8.4389 -8.1991 -8.1991 -8.1217 -8.1217 -7.7390 -7.7390 0.8455 0.8455 0.8639 0.8639 2.1410 2.1410 2.3217 2.3217 2.3551 2.3551 2.4448 2.4448 4.2369 4.2369 4.5889 4.5889 4.6888 4.6888 5.7045 5.7045 7.2751 7.2751 7.7262 7.7262 10.1470 10.1470 k = 0.1279 0.5000 0.1279 ( 5274 PWs) bands (ev): -24.9553 -24.9553 -24.9299 -24.9299 -24.9060 -24.9060 -10.1454 -10.1454 -8.7726 -8.7726 -8.7527 -8.7527 -8.6518 -8.6518 -8.5695 -8.5695 -8.5025 -8.5025 -8.4437 -8.4437 -8.2053 -8.2053 -8.1252 -8.1252 -7.7467 -7.7467 0.8448 0.8448 0.8636 0.8636 2.1263 2.1263 2.3191 2.3191 2.3563 2.3563 2.4458 2.4458 4.2485 4.2485 4.6176 4.6176 4.7110 4.7110 5.6623 5.6623 7.3220 7.3220 7.7676 7.7676 10.0906 10.0906 k = 0.1163 0.5000 0.1163 ( 5274 PWs) bands (ev): -24.9561 -24.9561 -24.9299 -24.9299 -24.9053 -24.9053 -10.1308 -10.1308 -8.7716 -8.7716 -8.7489 -8.7489 -8.6565 -8.6565 -8.5661 -8.5661 -8.5066 -8.5066 -8.4485 -8.4485 -8.2111 -8.2111 -8.1284 -8.1284 -7.7538 -7.7538 0.8441 0.8441 0.8634 0.8634 2.1123 2.1123 2.3166 2.3166 2.3573 2.3573 2.4467 2.4467 4.2594 4.2594 4.6460 4.6460 4.7317 4.7317 5.6215 5.6215 7.3681 7.3681 7.8091 7.8091 10.0372 10.0372 k = 0.1047 0.5000 0.1047 ( 5282 PWs) bands (ev): -24.9568 -24.9568 -24.9300 -24.9300 -24.9047 -24.9047 -10.1171 -10.1171 -8.7712 -8.7712 -8.7449 -8.7449 -8.6609 -8.6609 -8.5633 -8.5633 -8.5099 -8.5099 -8.4533 -8.4533 -8.2165 -8.2165 -8.1312 -8.1312 -7.7601 -7.7601 0.8434 0.8434 0.8631 0.8631 2.0990 2.0990 2.3143 2.3143 2.3584 2.3584 2.4476 2.4476 4.2696 4.2696 4.6739 4.6739 4.7509 4.7509 5.5822 5.5822 7.4127 7.4127 7.8504 7.8504 9.9870 9.9870 k = 0.0930 0.5000 0.0930 ( 5292 PWs) bands (ev): -24.9575 -24.9575 -24.9300 -24.9300 -24.9041 -24.9041 -10.1044 -10.1044 -8.7712 -8.7712 -8.7407 -8.7407 -8.6650 -8.6650 -8.5611 -8.5611 -8.5123 -8.5123 -8.4582 -8.4582 -8.2215 -8.2215 -8.1338 -8.1338 -7.7658 -7.7658 0.8427 0.8427 0.8628 0.8628 2.0868 2.0868 2.3121 2.3121 2.3593 2.3593 2.4485 2.4485 4.2788 4.2788 4.7011 4.7011 4.7684 4.7684 5.5449 5.5449 7.4549 7.4549 7.8908 7.8908 9.9406 9.9406 k = 0.0814 0.5000 0.0814 ( 5276 PWs) bands (ev): -24.9581 -24.9581 -24.9300 -24.9300 -24.9035 -24.9035 -10.0929 -10.0929 -8.7716 -8.7716 -8.7366 -8.7366 -8.6688 -8.6688 -8.5596 -8.5596 -8.5135 -8.5135 -8.4631 -8.4631 -8.2260 -8.2260 -8.1360 -8.1360 -7.7707 -7.7707 0.8420 0.8420 0.8626 0.8626 2.0756 2.0756 2.3102 2.3102 2.3602 2.3602 2.4492 2.4492 4.2872 4.2872 4.7271 4.7271 4.7841 4.7841 5.5097 5.5097 7.4941 7.4941 7.9298 7.9298 9.8981 9.8981 k = 0.0698 0.5000 0.0698 ( 5276 PWs) bands (ev): -24.9586 -24.9586 -24.9300 -24.9300 -24.9031 -24.9031 -10.0827 -10.0827 -8.7722 -8.7722 -8.7324 -8.7324 -8.6724 -8.6724 -8.5590 -8.5590 -8.5136 -8.5136 -8.4680 -8.4680 -8.2300 -8.2300 -8.1379 -8.1379 -7.7750 -7.7750 0.8414 0.8414 0.8623 0.8623 2.0658 2.0658 2.3084 2.3084 2.3610 2.3610 2.4499 2.4499 4.2945 4.2945 4.7516 4.7516 4.7981 4.7981 5.4772 5.4772 7.5296 7.5296 7.9664 7.9664 9.8602 9.8602 k = 0.0581 0.5000 0.0581 ( 5288 PWs) bands (ev): -24.9590 -24.9590 -24.9300 -24.9300 -24.9027 -24.9027 -10.0738 -10.0738 -8.7729 -8.7729 -8.7285 -8.7285 -8.6757 -8.6757 -8.5590 -8.5590 -8.5125 -8.5125 -8.4729 -8.4729 -8.2335 -8.2335 -8.1395 -8.1395 -7.7786 -7.7786 0.8408 0.8408 0.8621 0.8621 2.0572 2.0572 2.3069 2.3069 2.3616 2.3616 2.4505 2.4505 4.3008 4.3008 4.7740 4.7740 4.8102 4.8102 5.4478 5.4478 7.5607 7.5607 7.9997 7.9997 9.8272 9.8272 k = 0.0465 0.5000 0.0465 ( 5286 PWs) bands (ev): -24.9594 -24.9594 -24.9300 -24.9300 -24.9024 -24.9024 -10.0664 -10.0664 -8.7737 -8.7737 -8.7248 -8.7248 -8.6788 -8.6788 -8.5595 -8.5595 -8.5104 -8.5104 -8.4778 -8.4778 -8.2363 -8.2363 -8.1408 -8.1408 -7.7815 -7.7815 0.8403 0.8403 0.8619 0.8619 2.0501 2.0501 2.3057 2.3057 2.3622 2.3622 2.4511 2.4511 4.3060 4.3060 4.7936 4.7936 4.8205 4.8205 5.4222 5.4222 7.5869 7.5869 8.0289 8.0289 9.7995 9.7995 k = 0.0349 0.5000 0.0349 ( 5294 PWs) bands (ev): -24.9597 -24.9597 -24.9301 -24.9301 -24.9021 -24.9021 -10.0606 -10.0606 -8.7743 -8.7743 -8.7215 -8.7215 -8.6815 -8.6815 -8.5601 -8.5601 -8.5076 -8.5076 -8.4826 -8.4826 -8.2385 -8.2385 -8.1418 -8.1418 -7.7838 -7.7838 0.8399 0.8399 0.8618 0.8618 2.0445 2.0445 2.3048 2.3048 2.3626 2.3626 2.4515 2.4515 4.3101 4.3101 4.8094 4.8094 4.8292 4.8292 5.4011 5.4011 7.6077 7.6077 8.0528 8.0528 9.7775 9.7775 k = 0.0233 0.5000 0.0233 ( 5290 PWs) bands (ev): -24.9599 -24.9599 -24.9301 -24.9301 -24.9019 -24.9019 -10.0564 -10.0564 -8.7748 -8.7748 -8.7188 -8.7188 -8.6837 -8.6837 -8.5608 -8.5608 -8.5042 -8.5042 -8.4873 -8.4873 -8.2401 -8.2401 -8.1425 -8.1425 -7.7854 -7.7854 0.8396 0.8396 0.8617 0.8617 2.0405 2.0405 2.3041 2.3041 2.3629 2.3629 2.4518 2.4518 4.3130 4.3130 4.8205 4.8205 4.8363 4.8363 5.3853 5.3853 7.6229 7.6229 8.0707 8.0707 9.7616 9.7616 k = 0.0116 0.5000 0.0116 ( 5294 PWs) bands (ev): -24.9600 -24.9600 -24.9301 -24.9301 -24.9018 -24.9018 -10.0539 -10.0539 -8.7751 -8.7751 -8.7170 -8.7170 -8.6852 -8.6852 -8.5612 -8.5612 -8.5004 -8.5004 -8.4918 -8.4918 -8.2411 -8.2411 -8.1429 -8.1429 -7.7863 -7.7863 0.8394 0.8394 0.8616 0.8616 2.0381 2.0381 2.3036 2.3036 2.3631 2.3631 2.4519 2.4519 4.3148 4.3148 4.8268 4.8268 4.8415 4.8415 5.3754 5.3754 7.6321 7.6321 8.0817 8.0817 9.7519 9.7519 k = 0.0000 0.5000-0.0000 ( 5294 PWs) bands (ev): -24.9600 -24.9600 -24.9301 -24.9301 -24.9018 -24.9018 -10.0530 -10.0530 -8.7753 -8.7753 -8.7164 -8.7164 -8.6857 -8.6857 -8.5614 -8.5614 -8.4968 -8.4968 -8.4957 -8.4957 -8.2414 -8.2414 -8.1431 -8.1431 -7.7866 -7.7866 0.8393 0.8393 0.8616 0.8616 2.0372 2.0372 2.3035 2.3035 2.3631 2.3631 2.4520 2.4520 4.3154 4.3154 4.8287 4.8287 4.8434 4.8434 5.3720 5.3720 7.6352 7.6352 8.0854 8.0854 9.7486 9.7486 k = 0.5000 0.5000-0.0000 ( 5280 PWs) bands (ev): -24.9307 -24.9307 -24.9297 -24.9297 -24.9296 -24.9296 -10.3166 -10.3166 -8.8357 -8.8357 -8.7206 -8.7206 -8.6305 -8.6305 -8.5587 -8.5587 -8.5126 -8.5126 -8.3739 -8.3739 -8.2466 -8.2466 -8.0335 -8.0335 -7.5955 -7.5955 0.8601 0.8601 0.8664 0.8664 2.3107 2.3107 2.3360 2.3360 2.4030 2.4030 2.5213 2.5213 4.0202 4.0202 4.0210 4.0210 4.7418 4.7418 6.1266 6.1266 6.4676 6.4676 7.7682 7.7682 9.9852 9.9852 k = 0.5000 0.5000 0.0167 ( 5280 PWs) bands (ev): -24.9307 -24.9307 -24.9297 -24.9297 -24.9296 -24.9296 -10.3173 -10.3173 -8.8357 -8.8357 -8.7215 -8.7215 -8.6296 -8.6296 -8.5604 -8.5604 -8.5108 -8.5108 -8.3739 -8.3739 -8.2458 -8.2458 -8.0335 -8.0335 -7.5952 -7.5952 0.8600 0.8600 0.8664 0.8664 2.3109 2.3109 2.3358 2.3358 2.4029 2.4029 2.5211 2.5211 4.0203 4.0203 4.0211 4.0211 4.7397 4.7397 6.1277 6.1277 6.4691 6.4691 7.7657 7.7657 9.9850 9.9850 k = 0.5000 0.5000 0.0333 ( 5280 PWs) bands (ev): -24.9307 -24.9307 -24.9297 -24.9297 -24.9296 -24.9296 -10.3194 -10.3194 -8.8357 -8.8357 -8.7240 -8.7240 -8.6270 -8.6270 -8.5650 -8.5650 -8.5061 -8.5061 -8.3739 -8.3739 -8.2434 -8.2434 -8.0335 -8.0335 -7.5943 -7.5943 0.8599 0.8599 0.8662 0.8662 2.3113 2.3113 2.3353 2.3353 2.4023 2.4023 2.5205 2.5205 4.0205 4.0205 4.0215 4.0215 4.7333 4.7333 6.1312 6.1312 6.4733 6.4733 7.7584 7.7584 9.9842 9.9842 k = 0.5000 0.5000 0.0500 ( 5288 PWs) bands (ev): -24.9307 -24.9307 -24.9297 -24.9297 -24.9296 -24.9296 -10.3230 -10.3230 -8.8358 -8.8358 -8.7278 -8.7278 -8.6230 -8.6230 -8.5712 -8.5712 -8.4997 -8.4997 -8.3739 -8.3739 -8.2395 -8.2395 -8.0334 -8.0334 -7.5928 -7.5928 0.8597 0.8597 0.8659 0.8659 2.3120 2.3120 2.3344 2.3344 2.4015 2.4015 2.5194 2.5194 4.0210 4.0210 4.0220 4.0220 4.7227 4.7227 6.1369 6.1369 6.4805 6.4805 7.7463 7.7463 9.9829 9.9829 k = 0.5000 0.5000 0.0667 ( 5284 PWs) bands (ev): -24.9307 -24.9307 -24.9296 -24.9296 -24.9296 -24.9296 -10.3279 -10.3279 -8.8360 -8.8360 -8.7326 -8.7326 -8.6178 -8.6178 -8.5784 -8.5784 -8.4924 -8.4924 -8.3739 -8.3739 -8.2342 -8.2342 -8.0334 -8.0334 -7.5906 -7.5906 0.8594 0.8594 0.8654 0.8654 2.3130 2.3130 2.3331 2.3331 2.4003 2.4003 2.5181 2.5181 4.0216 4.0216 4.0227 4.0227 4.7082 4.7082 6.1449 6.1449 6.4904 6.4904 7.7297 7.7297 9.9809 9.9809 k = 0.5000 0.5000 0.0833 ( 5300 PWs) bands (ev): -24.9306 -24.9306 -24.9296 -24.9296 -24.9296 -24.9296 -10.3341 -10.3341 -8.8362 -8.8362 -8.7382 -8.7382 -8.6120 -8.6120 -8.5859 -8.5859 -8.4845 -8.4845 -8.3739 -8.3739 -8.2276 -8.2276 -8.0333 -8.0333 -7.5879 -7.5879 0.8591 0.8591 0.8649 0.8649 2.3142 2.3142 2.3315 2.3315 2.3988 2.3988 2.5163 2.5163 4.0223 4.0223 4.0235 4.0235 4.6899 4.6899 6.1551 6.1551 6.5031 6.5031 7.7090 7.7090 9.9782 9.9782 k = 0.5000 0.5000 0.1000 ( 5308 PWs) bands (ev): -24.9306 -24.9306 -24.9296 -24.9296 -24.9296 -24.9296 -10.3414 -10.3414 -8.8364 -8.8364 -8.7443 -8.7443 -8.6055 -8.6055 -8.5936 -8.5936 -8.4765 -8.4765 -8.3737 -8.3737 -8.2198 -8.2198 -8.0333 -8.0333 -7.5845 -7.5845 0.8586 0.8586 0.8643 0.8643 2.3157 2.3157 2.3295 2.3295 2.3971 2.3971 2.5142 2.5142 4.0232 4.0232 4.0245 4.0245 4.6680 4.6680 6.1675 6.1675 6.5184 6.5184 7.6846 7.6846 9.9747 9.9747 k = 0.5000 0.5000 0.1167 ( 5308 PWs) bands (ev): -24.9306 -24.9306 -24.9296 -24.9296 -24.9296 -24.9296 -10.3498 -10.3498 -8.8367 -8.8367 -8.7508 -8.7508 -8.6014 -8.6014 -8.5988 -8.5988 -8.4683 -8.4683 -8.3736 -8.3736 -8.2108 -8.2108 -8.0332 -8.0332 -7.5805 -7.5805 0.8582 0.8582 0.8635 0.8635 2.3174 2.3174 2.3272 2.3272 2.3951 2.3951 2.5118 2.5118 4.0242 4.0242 4.0257 4.0257 4.6430 4.6430 6.1819 6.1819 6.5365 6.5365 7.6570 7.6570 9.9702 9.9702 k = 0.5000 0.5000 0.1333 ( 5300 PWs) bands (ev): -24.9305 -24.9305 -24.9296 -24.9296 -24.9296 -24.9296 -10.3591 -10.3591 -8.8371 -8.8371 -8.7574 -8.7574 -8.6090 -8.6090 -8.5919 -8.5919 -8.4602 -8.4602 -8.3733 -8.3733 -8.2010 -8.2010 -8.0331 -8.0331 -7.5758 -7.5758 0.8576 0.8576 0.8627 0.8627 2.3193 2.3193 2.3246 2.3246 2.3930 2.3930 2.5092 2.5092 4.0252 4.0252 4.0269 4.0269 4.6151 4.6151 6.1983 6.1983 6.5571 6.5571 7.6266 7.6266 9.9648 9.9648 k = 0.5000 0.5000 0.1500 ( 5292 PWs) bands (ev): -24.9304 -24.9304 -24.9296 -24.9296 -24.9296 -24.9296 -10.3692 -10.3692 -8.8375 -8.8375 -8.7641 -8.7641 -8.6164 -8.6164 -8.5850 -8.5850 -8.4521 -8.4521 -8.3728 -8.3728 -8.1905 -8.1905 -8.0330 -8.0330 -7.5706 -7.5706 0.8570 0.8570 0.8617 0.8617 2.3215 2.3215 2.3216 2.3216 2.3908 2.3908 2.5063 2.5063 4.0263 4.0263 4.0281 4.0281 4.5847 4.5847 6.2165 6.2165 6.5801 6.5801 7.5939 7.5939 9.9584 9.9584 k = 0.5000 0.5000 0.1667 ( 5292 PWs) bands (ev): -24.9304 -24.9304 -24.9296 -24.9296 -24.9296 -24.9296 -10.3800 -10.3800 -8.8379 -8.8379 -8.7708 -8.7708 -8.6237 -8.6237 -8.5781 -8.5781 -8.4442 -8.4442 -8.3723 -8.3723 -8.1794 -8.1794 -8.0329 -8.0329 -7.5648 -7.5648 0.8563 0.8563 0.8607 0.8607 2.3183 2.3183 2.3238 2.3238 2.3884 2.3884 2.5033 2.5033 4.0274 4.0274 4.0294 4.0294 4.5522 4.5522 6.2364 6.2364 6.6055 6.6055 7.5596 7.5596 9.9510 9.9510 k = 0.5000 0.5000 0.1833 ( 5276 PWs) bands (ev): -24.9303 -24.9303 -24.9296 -24.9296 -24.9295 -24.9295 -10.3913 -10.3913 -8.8384 -8.8384 -8.7774 -8.7774 -8.6306 -8.6306 -8.5714 -8.5714 -8.4365 -8.4365 -8.3717 -8.3717 -8.1679 -8.1679 -8.0328 -8.0328 -7.5584 -7.5584 0.8556 0.8556 0.8597 0.8597 2.3147 2.3147 2.3263 2.3263 2.3861 2.3861 2.5002 2.5002 4.0285 4.0285 4.0308 4.0308 4.5181 4.5181 6.2578 6.2578 6.6330 6.6330 7.5241 7.5241 9.9426 9.9426 k = 0.5000 0.5000 0.2000 ( 5276 PWs) bands (ev): -24.9302 -24.9302 -24.9295 -24.9295 -24.9295 -24.9295 -10.4030 -10.4030 -8.8389 -8.8389 -8.7839 -8.7839 -8.6373 -8.6373 -8.5649 -8.5649 -8.4290 -8.4290 -8.3710 -8.3710 -8.1562 -8.1562 -8.0326 -8.0326 -7.5515 -7.5515 0.8548 0.8548 0.8586 0.8586 2.3109 2.3109 2.3289 2.3289 2.3837 2.3837 2.4969 2.4969 4.0296 4.0296 4.0320 4.0320 4.4826 4.4826 6.2806 6.2806 6.6626 6.6626 7.4881 7.4881 9.9333 9.9333 k = 0.5000 0.5000 0.2167 ( 5264 PWs) bands (ev): -24.9302 -24.9302 -24.9295 -24.9295 -24.9295 -24.9295 -10.4149 -10.4149 -8.8395 -8.8395 -8.7903 -8.7903 -8.6437 -8.6437 -8.5586 -8.5586 -8.4218 -8.4218 -8.3702 -8.3702 -8.1445 -8.1445 -8.0325 -8.0325 -7.5442 -7.5442 0.8540 0.8540 0.8574 0.8574 2.3069 2.3069 2.3315 2.3315 2.3813 2.3813 2.4937 2.4937 4.0306 4.0306 4.0333 4.0333 4.4464 4.4464 6.3044 6.3044 6.6940 6.6940 7.4520 7.4520 9.9233 9.9233 k = 0.5000 0.5000 0.2333 ( 5284 PWs) bands (ev): -24.9301 -24.9301 -24.9295 -24.9295 -24.9295 -24.9295 -10.4269 -10.4269 -8.8402 -8.8402 -8.7965 -8.7965 -8.6498 -8.6498 -8.5526 -8.5526 -8.4148 -8.4148 -8.3694 -8.3694 -8.1329 -8.1329 -8.0324 -8.0324 -7.5364 -7.5364 0.8531 0.8531 0.8562 0.8562 2.3028 2.3028 2.3342 2.3342 2.3790 2.3790 2.4905 2.4905 4.0315 4.0315 4.0344 4.0344 4.4096 4.4096 6.3290 6.3290 6.7270 6.7270 7.4164 7.4164 9.9126 9.9126 k = 0.5000 0.5000 0.2500 ( 5292 PWs) bands (ev): -24.9300 -24.9300 -24.9295 -24.9295 -24.9295 -24.9295 -10.4388 -10.4388 -8.8410 -8.8410 -8.8025 -8.8025 -8.6555 -8.6555 -8.5470 -8.5470 -8.4082 -8.4082 -8.3684 -8.3684 -8.1215 -8.1215 -8.0323 -8.0323 -7.5283 -7.5283 0.8523 0.8523 0.8550 0.8550 2.2985 2.2985 2.3369 2.3369 2.3767 2.3767 2.4874 2.4874 4.0324 4.0324 4.0355 4.0355 4.3729 4.3729 6.3541 6.3541 6.7613 6.7613 7.3817 7.3817 9.9015 9.9015 k = 0.5000 0.5000 0.2667 ( 5284 PWs) bands (ev): -24.9299 -24.9299 -24.9295 -24.9295 -24.9295 -24.9295 -10.4506 -10.4506 -8.8417 -8.8417 -8.8082 -8.8082 -8.6608 -8.6608 -8.5417 -8.5417 -8.4019 -8.4019 -8.3674 -8.3674 -8.1105 -8.1105 -8.0321 -8.0321 -7.5199 -7.5199 0.8514 0.8514 0.8538 0.8538 2.2942 2.2942 2.3396 2.3396 2.3744 2.3744 2.4844 2.4844 4.0332 4.0332 4.0365 4.0365 4.3366 4.3366 6.3794 6.3794 6.7966 6.7966 7.3484 7.3484 9.8900 9.8900 k = 0.5000 0.5000 0.2833 ( 5280 PWs) bands (ev): -24.9299 -24.9299 -24.9294 -24.9294 -24.9294 -24.9294 -10.4621 -10.4621 -8.8425 -8.8425 -8.8136 -8.8136 -8.6658 -8.6658 -8.5368 -8.5368 -8.3959 -8.3959 -8.3663 -8.3663 -8.1000 -8.1000 -8.0320 -8.0320 -7.5113 -7.5113 0.8505 0.8505 0.8526 0.8526 2.2899 2.2899 2.3422 2.3422 2.3723 2.3723 2.4816 2.4816 4.0339 4.0339 4.0374 4.0374 4.3010 4.3010 6.4044 6.4044 6.8326 6.8326 7.3171 7.3171 9.8783 9.8783 k = 0.5000 0.5000 0.3000 ( 5280 PWs) bands (ev): -24.9298 -24.9298 -24.9294 -24.9294 -24.9294 -24.9294 -10.4732 -10.4732 -8.8433 -8.8433 -8.8187 -8.8187 -8.6703 -8.6703 -8.5322 -8.5322 -8.3903 -8.3903 -8.3653 -8.3653 -8.0901 -8.0901 -8.0318 -8.0318 -7.5026 -7.5026 0.8496 0.8496 0.8514 0.8514 2.2856 2.2856 2.3446 2.3446 2.3703 2.3703 2.4791 2.4791 4.0345 4.0345 4.0382 4.0382 4.2666 4.2666 6.4288 6.4288 6.8690 6.8690 7.2880 7.2880 9.8666 9.8666 k = 0.5000 0.5000 0.3167 ( 5288 PWs) bands (ev): -24.9297 -24.9297 -24.9294 -24.9294 -24.9294 -24.9294 -10.4838 -10.4838 -8.8441 -8.8441 -8.8235 -8.8235 -8.6745 -8.6745 -8.5281 -8.5281 -8.3851 -8.3851 -8.3642 -8.3642 -8.0808 -8.0808 -8.0317 -8.0317 -7.4940 -7.4940 0.8488 0.8488 0.8503 0.8503 2.2815 2.2815 2.3468 2.3468 2.3683 2.3683 2.4768 2.4768 4.0350 4.0350 4.0389 4.0389 4.2336 4.2336 6.4521 6.4521 6.9053 6.9053 7.2617 7.2617 9.8550 9.8550 k = 0.5000 0.5000 0.3333 ( 5300 PWs) bands (ev): -24.9297 -24.9297 -24.9294 -24.9294 -24.9294 -24.9294 -10.4938 -10.4938 -8.8450 -8.8450 -8.8280 -8.8280 -8.6783 -8.6783 -8.5243 -8.5243 -8.3803 -8.3803 -8.3631 -8.3631 -8.0722 -8.0722 -8.0316 -8.0316 -7.4856 -7.4856 0.8479 0.8479 0.8492 0.8492 2.2776 2.2776 2.3489 2.3489 2.3665 2.3665 2.4748 2.4748 4.0354 4.0354 4.0395 4.0395 4.2023 4.2023 6.4739 6.4739 6.9411 6.9411 7.2383 7.2383 9.8436 9.8436 k = 0.5000 0.5000 0.3500 ( 5308 PWs) bands (ev): -24.9296 -24.9296 -24.9294 -24.9294 -24.9294 -24.9294 -10.5031 -10.5031 -8.8458 -8.8458 -8.8321 -8.8321 -8.6817 -8.6817 -8.5209 -8.5209 -8.3759 -8.3759 -8.3621 -8.3621 -8.0644 -8.0644 -8.0315 -8.0315 -7.4775 -7.4775 0.8471 0.8471 0.8482 0.8482 2.2738 2.2738 2.3507 2.3507 2.3649 2.3649 2.4731 2.4731 4.0357 4.0357 4.0400 4.0400 4.1732 4.1732 6.4939 6.4939 6.9759 6.9759 7.2181 7.2181 9.8325 9.8325 k = 0.5000 0.5000 0.3667 ( 5292 PWs) bands (ev): -24.9296 -24.9296 -24.9294 -24.9294 -24.9294 -24.9294 -10.5116 -10.5116 -8.8466 -8.8466 -8.8358 -8.8358 -8.6847 -8.6847 -8.5178 -8.5178 -8.3719 -8.3719 -8.3611 -8.3611 -8.0574 -8.0574 -8.0314 -8.0314 -7.4698 -7.4698 0.8464 0.8464 0.8472 0.8472 2.2703 2.2703 2.3522 2.3522 2.3633 2.3633 2.4717 2.4717 4.0360 4.0360 4.0404 4.0404 4.1464 4.1464 6.5117 6.5117 7.0092 7.0092 7.2012 7.2012 9.8219 9.8219 k = 0.5000 0.5000 0.3833 ( 5300 PWs) bands (ev): -24.9295 -24.9295 -24.9294 -24.9294 -24.9294 -24.9294 -10.5193 -10.5193 -8.8473 -8.8473 -8.8391 -8.8391 -8.6873 -8.6873 -8.5152 -8.5152 -8.3684 -8.3684 -8.3601 -8.3601 -8.0512 -8.0512 -8.0313 -8.0313 -7.4627 -7.4627 0.8457 0.8457 0.8464 0.8464 2.2672 2.2672 2.3536 2.3536 2.3619 2.3619 2.4706 2.4706 4.0362 4.0362 4.0407 4.0407 4.1222 4.1222 6.5272 6.5272 7.0404 7.0404 7.1875 7.1875 9.8116 9.8116 k = 0.5000 0.5000 0.4000 ( 5320 PWs) bands (ev): -24.9295 -24.9295 -24.9294 -24.9294 -24.9294 -24.9294 -10.5261 -10.5261 -8.8480 -8.8480 -8.8420 -8.8420 -8.6896 -8.6896 -8.5129 -8.5129 -8.3654 -8.3654 -8.3593 -8.3593 -8.0458 -8.0458 -8.0312 -8.0312 -7.4563 -7.4563 0.8451 0.8451 0.8456 0.8456 2.2643 2.2643 2.3546 2.3546 2.3607 2.3607 2.4697 2.4697 4.0363 4.0363 4.0410 4.0410 4.1008 4.1008 6.5402 6.5402 7.0689 7.0689 7.1770 7.1770 9.8018 9.8018 k = 0.5000 0.5000 0.4167 ( 5316 PWs) bands (ev): -24.9294 -24.9294 -24.9294 -24.9294 -24.9294 -24.9294 -10.5320 -10.5320 -8.8486 -8.8486 -8.8444 -8.8444 -8.6915 -8.6915 -8.5110 -8.5110 -8.3628 -8.3628 -8.3586 -8.3586 -8.0413 -8.0413 -8.0311 -8.0311 -7.4506 -7.4506 0.8446 0.8446 0.8449 0.8449 2.2619 2.2619 2.3555 2.3555 2.3597 2.3597 2.4691 2.4691 4.0363 4.0363 4.0412 4.0412 4.0825 4.0825 6.5507 6.5507 7.0943 7.0943 7.1692 7.1692 9.7923 9.7923 k = 0.5000 0.5000 0.4333 ( 5316 PWs) bands (ev): -24.9294 -24.9294 -24.9294 -24.9294 -24.9294 -24.9294 -10.5368 -10.5368 -8.8491 -8.8491 -8.8465 -8.8465 -8.6931 -8.6931 -8.5094 -8.5094 -8.3606 -8.3606 -8.3579 -8.3579 -8.0375 -8.0375 -8.0310 -8.0310 -7.4458 -7.4458 0.8441 0.8441 0.8444 0.8444 2.2599 2.2599 2.3561 2.3561 2.3588 2.3588 2.4686 2.4686 4.0363 4.0363 4.0413 4.0413 4.0673 4.0673 6.5589 6.5589 7.1159 7.1159 7.1637 7.1637 9.7833 9.7833 k = 0.5000 0.5000 0.4500 ( 5316 PWs) bands (ev): -24.9294 -24.9294 -24.9293 -24.9293 -24.9293 -24.9293 -10.5406 -10.5406 -8.8495 -8.8495 -8.8480 -8.8480 -8.6942 -8.6942 -8.5082 -8.5082 -8.3589 -8.3589 -8.3574 -8.3574 -8.0346 -8.0346 -8.0310 -8.0310 -7.4420 -7.4420 0.8438 0.8438 0.8439 0.8439 2.2582 2.2582 2.3566 2.3566 2.3581 2.3581 2.4683 2.4683 4.0361 4.0361 4.0414 4.0414 4.0555 4.0555 6.5650 6.5650 7.1334 7.1334 7.1602 7.1602 9.7750 9.7750 k = 0.5000 0.5000 0.4667 ( 5316 PWs) bands (ev): -24.9294 -24.9294 -24.9293 -24.9293 -24.9293 -24.9293 -10.5433 -10.5433 -8.8498 -8.8498 -8.8492 -8.8492 -8.6951 -8.6951 -8.5074 -8.5074 -8.3577 -8.3577 -8.3571 -8.3571 -8.0326 -8.0326 -8.0310 -8.0310 -7.4392 -7.4392 0.8435 0.8435 0.8436 0.8436 2.2571 2.2571 2.3569 2.3569 2.3576 2.3576 2.4681 2.4681 4.0357 4.0357 4.0415 4.0415 4.0473 4.0473 6.5691 6.5691 7.1461 7.1461 7.1580 7.1580 9.7681 9.7682 k = 0.5000 0.5000 0.4833 ( 5316 PWs) bands (ev): -24.9293 -24.9293 -24.9293 -24.9293 -24.9293 -24.9293 -10.5450 -10.5450 -8.8500 -8.8500 -8.8499 -8.8499 -8.6956 -8.6956 -8.5069 -8.5069 -8.3570 -8.3570 -8.3568 -8.3568 -8.0313 -8.0313 -8.0309 -8.0309 -7.4375 -7.4375 0.8434 0.8434 0.8434 0.8434 2.2564 2.2564 2.3571 2.3571 2.3573 2.3573 2.4680 2.4680 4.0349 4.0349 4.0415 4.0415 4.0428 4.0428 6.5715 6.5715 7.1539 7.1539 7.1569 7.1569 9.7635 9.7640 k = 0.5000 0.5000 0.5000 ( 5232 PWs) bands (ev): -24.9293 -24.9293 -24.9293 -24.9293 -24.9293 -24.9293 -10.5455 -10.5455 -8.8500 -8.8500 -8.8500 -8.8500 -8.6956 -8.6956 -8.5066 -8.5066 -8.3567 -8.3567 -8.3567 -8.3567 -8.0308 -8.0308 -8.0308 -8.0308 -7.4369 -7.4369 0.8434 0.8434 0.8434 0.8434 2.2561 2.2561 2.3572 2.3572 2.3572 2.3572 2.4680 2.4680 4.0345 4.0345 4.0416 4.0416 4.0416 4.0416 6.5723 6.5723 7.1566 7.1566 7.1566 7.1566 9.7620 9.7620 Writing output data file K3AuO.save init_run : 0.41s CPU 0.56s WALL ( 1 calls) electrons : 185.64s CPU 188.29s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.04s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 185.63s CPU 188.28s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.11s CPU 0.18s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.05s WALL ( 234 calls) cegterg : 173.10s CPU 175.34s WALL ( 530 calls) Called by sum_band: Called by *egterg: h_psi : 90.57s CPU 91.84s WALL ( 9422 calls) s_psi : 5.29s CPU 5.46s WALL ( 9422 calls) g_psi : 0.20s CPU 0.25s WALL ( 8658 calls) cdiaghg : 67.65s CPU 68.64s WALL ( 8892 calls) cegterg:over : 6.50s CPU 6.59s WALL ( 8658 calls) cegterg:upda : 7.16s CPU 7.24s WALL ( 8658 calls) cegterg:last : 2.43s CPU 2.38s WALL ( 1001 calls) cdiaghg:chol : 3.92s CPU 3.86s WALL ( 8892 calls) cdiaghg:inve : 2.63s CPU 2.64s WALL ( 8892 calls) cdiaghg:para : 4.25s CPU 4.19s WALL ( 17784 calls) Called by h_psi: h_psi:vloc : 78.37s CPU 79.61s WALL ( 9422 calls) h_psi:vnl : 11.89s CPU 11.98s WALL ( 9422 calls) add_vuspsi : 6.20s CPU 6.25s WALL ( 9422 calls) General routines calbec : 5.66s CPU 5.70s WALL ( 9422 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 72.29s CPU 73.35s WALL ( 692184 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.14s CPU 0.18s WALL ( 468 calls) Parallel routines fft_scatter : 24.89s CPU 25.14s WALL ( 692207 calls) PWSCF : 3m19.31s CPU 3m28.97s WALL This run was terminated on: 13:36: 0 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=