Program PWSCF v.5.3.0 (svn rev. 11974) starts on 30Jan2017 at 11:18:30 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: ./K3IO.save/ file K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized file I.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 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 71 41 12 2713 1195 188 Max 72 42 13 2718 1216 192 Sum 2561 1481 437 97713 43387 6859 bravais-lattice index = 14 lattice parameter (alat) = 9.9834 a.u. unit-cell volume = 995.0350 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.983422 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 I read from file: /users/gautes/Pseudo/I.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 7c65668ffc3f6431347fa26e98076fd5 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1247 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) I 7.00 126.90450 I( 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: 97713 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 43387 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.23 Mb ( 318, 48) NL pseudopotentials 0.36 Mb ( 159, 150) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 2715) G-vector shells 0.00 Mb ( 535) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.93 Mb ( 318, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.22 Mb ( 150, 2, 48) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./K3IO.save/charge-density.dat Starting wfc are 64 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.9 secs Computing kpt #: 2 total cpu time spent up to now is 3.6 secs Computing kpt #: 3 total cpu time spent up to now is 4.8 secs Computing kpt #: 4 total cpu time spent up to now is 5.7 secs Computing kpt #: 5 total cpu time spent up to now is 6.5 secs Computing kpt #: 6 total cpu time spent up to now is 7.2 secs Computing kpt #: 7 total cpu time spent up to now is 7.9 secs Computing kpt #: 8 total cpu time spent up to now is 8.6 secs Computing kpt #: 9 total cpu time spent up to now is 9.3 secs Computing kpt #: 10 total cpu time spent up to now is 10.0 secs Computing kpt #: 11 total cpu time spent up to now is 10.6 secs Computing kpt #: 12 total cpu time spent up to now is 11.2 secs Computing kpt #: 13 total cpu time spent up to now is 11.8 secs Computing kpt #: 14 total cpu time spent up to now is 12.4 secs Computing kpt #: 15 total cpu time spent up to now is 13.0 secs Computing kpt #: 16 total cpu time spent up to now is 13.6 secs Computing kpt #: 17 total cpu time spent up to now is 14.3 secs Computing kpt #: 18 total cpu time spent up to now is 14.9 secs Computing kpt #: 19 total cpu time spent up to now is 15.5 secs Computing kpt #: 20 total cpu time spent up to now is 16.2 secs Computing kpt #: 21 total cpu time spent up to now is 16.8 secs Computing kpt #: 22 total cpu time spent up to now is 17.5 secs Computing kpt #: 23 total cpu time spent up to now is 18.2 secs Computing kpt #: 24 total cpu time spent up to now is 18.8 secs Computing kpt #: 25 total cpu time spent up to now is 19.5 secs Computing kpt #: 26 total cpu time spent up to now is 20.2 secs Computing kpt #: 27 total cpu time spent up to now is 20.9 secs Computing kpt #: 28 total cpu time spent up to now is 21.7 secs Computing kpt #: 29 total cpu time spent up to now is 22.5 secs Computing kpt #: 30 total cpu time spent up to now is 23.4 secs Computing kpt #: 31 total cpu time spent up to now is 24.1 secs Computing kpt #: 32 total cpu time spent up to now is 24.9 secs Computing kpt #: 33 total cpu time spent up to now is 25.7 secs Computing kpt #: 34 total cpu time spent up to now is 26.5 secs Computing kpt #: 35 total cpu time spent up to now is 27.3 secs Computing kpt #: 36 total cpu time spent up to now is 28.1 secs Computing kpt #: 37 total cpu time spent up to now is 28.9 secs Computing kpt #: 38 total cpu time spent up to now is 29.8 secs Computing kpt #: 39 total cpu time spent up to now is 30.7 secs Computing kpt #: 40 total cpu time spent up to now is 31.6 secs Computing kpt #: 41 total cpu time spent up to now is 32.6 secs Computing kpt #: 42 total cpu time spent up to now is 33.6 secs Computing kpt #: 43 total cpu time spent up to now is 34.5 secs Computing kpt #: 44 total cpu time spent up to now is 35.5 secs Computing kpt #: 45 total cpu time spent up to now is 36.3 secs Computing kpt #: 46 total cpu time spent up to now is 37.3 secs Computing kpt #: 47 total cpu time spent up to now is 38.2 secs Computing kpt #: 48 total cpu time spent up to now is 39.2 secs Computing kpt #: 49 total cpu time spent up to now is 40.2 secs Computing kpt #: 50 total cpu time spent up to now is 41.2 secs Computing kpt #: 51 total cpu time spent up to now is 42.2 secs Computing kpt #: 52 total cpu time spent up to now is 43.6 secs Computing kpt #: 53 total cpu time spent up to now is 45.0 secs Computing kpt #: 54 total cpu time spent up to now is 46.0 secs Computing kpt #: 55 total cpu time spent up to now is 47.0 secs Computing kpt #: 56 total cpu time spent up to now is 48.0 secs Computing kpt #: 57 total cpu time spent up to now is 48.8 secs Computing kpt #: 58 total cpu time spent up to now is 49.5 secs Computing kpt #: 59 total cpu time spent up to now is 50.3 secs Computing kpt #: 60 total cpu time spent up to now is 50.9 secs Computing kpt #: 61 total cpu time spent up to now is 51.6 secs Computing kpt #: 62 total cpu time spent up to now is 52.3 secs Computing kpt #: 63 total cpu time spent up to now is 52.9 secs Computing kpt #: 64 total cpu time spent up to now is 53.6 secs Computing kpt #: 65 total cpu time spent up to now is 54.3 secs Computing kpt #: 66 total cpu time spent up to now is 55.0 secs Computing kpt #: 67 total cpu time spent up to now is 55.7 secs Computing kpt #: 68 total cpu time spent up to now is 56.6 secs Computing kpt #: 69 total cpu time spent up to now is 57.4 secs Computing kpt #: 70 total cpu time spent up to now is 58.2 secs Computing kpt #: 71 total cpu time spent up to now is 58.9 secs Computing kpt #: 72 total cpu time spent up to now is 59.7 secs Computing kpt #: 73 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 61.2 secs Computing kpt #: 74 total cpu time spent up to now is 61.9 secs Computing kpt #: 75 total cpu time spent up to now is 62.5 secs Computing kpt #: 76 total cpu time spent up to now is 63.1 secs Computing kpt #: 77 total cpu time spent up to now is 63.7 secs Computing kpt #: 78 total cpu time spent up to now is 64.4 secs Computing kpt #: 79 total cpu time spent up to now is 65.1 secs Computing kpt #: 80 total cpu time spent up to now is 65.7 secs Computing kpt #: 81 total cpu time spent up to now is 66.4 secs Computing kpt #: 82 total cpu time spent up to now is 67.0 secs Computing kpt #: 83 total cpu time spent up to now is 67.7 secs Computing kpt #: 84 total cpu time spent up to now is 68.3 secs Computing kpt #: 85 total cpu time spent up to now is 68.9 secs Computing kpt #: 86 total cpu time spent up to now is 69.5 secs Computing kpt #: 87 total cpu time spent up to now is 70.2 secs Computing kpt #: 88 total cpu time spent up to now is 70.8 secs Computing kpt #: 89 total cpu time spent up to now is 71.4 secs Computing kpt #: 90 total cpu time spent up to now is 72.0 secs Computing kpt #: 91 total cpu time spent up to now is 72.6 secs Computing kpt #: 92 total cpu time spent up to now is 73.2 secs Computing kpt #: 93 total cpu time spent up to now is 73.8 secs Computing kpt #: 94 total cpu time spent up to now is 74.4 secs Computing kpt #: 95 total cpu time spent up to now is 75.1 secs Computing kpt #: 96 total cpu time spent up to now is 75.7 secs Computing kpt #: 97 total cpu time spent up to now is 76.2 secs Computing kpt #: 98 total cpu time spent up to now is 76.9 secs Computing kpt #: 99 total cpu time spent up to now is 77.6 secs Computing kpt #: 100 total cpu time spent up to now is 78.3 secs Computing kpt #: 101 total cpu time spent up to now is 79.0 secs Computing kpt #: 102 total cpu time spent up to now is 79.9 secs Computing kpt #: 103 total cpu time spent up to now is 80.8 secs Computing kpt #: 104 total cpu time spent up to now is 81.8 secs Computing kpt #: 105 total cpu time spent up to now is 82.4 secs Computing kpt #: 106 total cpu time spent up to now is 83.0 secs Computing kpt #: 107 total cpu time spent up to now is 83.5 secs Computing kpt #: 108 total cpu time spent up to now is 84.1 secs Computing kpt #: 109 total cpu time spent up to now is 84.9 secs Computing kpt #: 110 total cpu time spent up to now is 85.8 secs Computing kpt #: 111 total cpu time spent up to now is 86.7 secs Computing kpt #: 112 total cpu time spent up to now is 87.7 secs Computing kpt #: 113 total cpu time spent up to now is 88.5 secs Computing kpt #: 114 total cpu time spent up to now is 89.5 secs Computing kpt #: 115 total cpu time spent up to now is 90.4 secs Computing kpt #: 116 total cpu time spent up to now is 91.3 secs Computing kpt #: 117 total cpu time spent up to now is 92.2 secs Computing kpt #: 118 total cpu time spent up to now is 92.8 secs Computing kpt #: 119 total cpu time spent up to now is 93.4 secs Computing kpt #: 120 total cpu time spent up to now is 94.0 secs Computing kpt #: 121 total cpu time spent up to now is 94.5 secs Computing kpt #: 122 total cpu time spent up to now is 95.1 secs Computing kpt #: 123 total cpu time spent up to now is 95.7 secs Computing kpt #: 124 total cpu time spent up to now is 96.3 secs Computing kpt #: 125 total cpu time spent up to now is 97.2 secs Computing kpt #: 126 total cpu time spent up to now is 98.2 secs Computing kpt #: 127 total cpu time spent up to now is 99.2 secs Computing kpt #: 128 total cpu time spent up to now is 100.5 secs Computing kpt #: 129 total cpu time spent up to now is 101.5 secs Computing kpt #: 130 total cpu time spent up to now is 102.3 secs Computing kpt #: 131 total cpu time spent up to now is 103.2 secs Computing kpt #: 132 total cpu time spent up to now is 103.8 secs Computing kpt #: 133 total cpu time spent up to now is 104.5 secs Computing kpt #: 134 total cpu time spent up to now is 105.1 secs Computing kpt #: 135 total cpu time spent up to now is 105.7 secs Computing kpt #: 136 total cpu time spent up to now is 106.5 secs Computing kpt #: 137 total cpu time spent up to now is 107.3 secs Computing kpt #: 138 total cpu time spent up to now is 107.9 secs Computing kpt #: 139 total cpu time spent up to now is 108.5 secs Computing kpt #: 140 total cpu time spent up to now is 109.0 secs Computing kpt #: 141 total cpu time spent up to now is 109.5 secs Computing kpt #: 142 total cpu time spent up to now is 110.0 secs Computing kpt #: 143 total cpu time spent up to now is 110.5 secs Computing kpt #: 144 total cpu time spent up to now is 110.9 secs Computing kpt #: 145 total cpu time spent up to now is 111.4 secs Computing kpt #: 146 total cpu time spent up to now is 111.9 secs Computing kpt #: 147 total cpu time spent up to now is 112.4 secs Computing kpt #: 148 total cpu time spent up to now is 112.8 secs Computing kpt #: 149 total cpu time spent up to now is 113.3 secs Computing kpt #: 150 total cpu time spent up to now is 113.8 secs Computing kpt #: 151 total cpu time spent up to now is 114.2 secs Computing kpt #: 152 total cpu time spent up to now is 114.7 secs Computing kpt #: 153 total cpu time spent up to now is 115.1 secs Computing kpt #: 154 total cpu time spent up to now is 115.6 secs Computing kpt #: 155 total cpu time spent up to now is 116.1 secs Computing kpt #: 156 total cpu time spent up to now is 116.5 secs Computing kpt #: 157 total cpu time spent up to now is 117.0 secs Computing kpt #: 158 total cpu time spent up to now is 117.4 secs Computing kpt #: 159 total cpu time spent up to now is 117.9 secs Computing kpt #: 160 total cpu time spent up to now is 118.3 secs Computing kpt #: 161 total cpu time spent up to now is 118.8 secs Computing kpt #: 162 total cpu time spent up to now is 119.2 secs Computing kpt #: 163 total cpu time spent up to now is 119.7 secs Computing kpt #: 164 total cpu time spent up to now is 120.2 secs Computing kpt #: 165 total cpu time spent up to now is 120.6 secs Computing kpt #: 166 total cpu time spent up to now is 121.1 secs Computing kpt #: 167 total cpu time spent up to now is 121.7 secs Computing kpt #: 168 total cpu time spent up to now is 122.2 secs Computing kpt #: 169 total cpu time spent up to now is 122.8 secs Computing kpt #: 170 total cpu time spent up to now is 123.4 secs Computing kpt #: 171 total cpu time spent up to now is 124.0 secs Computing kpt #: 172 total cpu time spent up to now is 124.6 secs Computing kpt #: 173 total cpu time spent up to now is 125.2 secs Computing kpt #: 174 total cpu time spent up to now is 125.7 secs Computing kpt #: 175 total cpu time spent up to now is 126.3 secs Computing kpt #: 176 total cpu time spent up to now is 126.9 secs Computing kpt #: 177 total cpu time spent up to now is 127.5 secs Computing kpt #: 178 total cpu time spent up to now is 128.1 secs Computing kpt #: 179 total cpu time spent up to now is 128.7 secs Computing kpt #: 180 total cpu time spent up to now is 129.2 secs Computing kpt #: 181 total cpu time spent up to now is 129.7 secs Computing kpt #: 182 total cpu time spent up to now is 130.2 secs Computing kpt #: 183 total cpu time spent up to now is 130.7 secs Computing kpt #: 184 total cpu time spent up to now is 131.2 secs Computing kpt #: 185 total cpu time spent up to now is 131.7 secs Computing kpt #: 186 total cpu time spent up to now is 132.2 secs Computing kpt #: 187 total cpu time spent up to now is 132.6 secs Computing kpt #: 188 total cpu time spent up to now is 133.1 secs Computing kpt #: 189 total cpu time spent up to now is 133.6 secs Computing kpt #: 190 total cpu time spent up to now is 134.2 secs Computing kpt #: 191 total cpu time spent up to now is 134.7 secs Computing kpt #: 192 total cpu time spent up to now is 135.3 secs Computing kpt #: 193 total cpu time spent up to now is 136.0 secs Computing kpt #: 194 total cpu time spent up to now is 136.8 secs Computing kpt #: 195 total cpu time spent up to now is 137.4 secs Computing kpt #: 196 total cpu time spent up to now is 138.0 secs Computing kpt #: 197 total cpu time spent up to now is 138.9 secs Computing kpt #: 198 total cpu time spent up to now is 139.8 secs Computing kpt #: 199 total cpu time spent up to now is 140.6 secs Computing kpt #: 200 total cpu time spent up to now is 141.5 secs Computing kpt #: 201 total cpu time spent up to now is 142.3 secs Computing kpt #: 202 total cpu time spent up to now is 143.0 secs Computing kpt #: 203 total cpu time spent up to now is 143.8 secs Computing kpt #: 204 total cpu time spent up to now is 144.5 secs Computing kpt #: 205 total cpu time spent up to now is 145.1 secs Computing kpt #: 206 total cpu time spent up to now is 145.8 secs Computing kpt #: 207 total cpu time spent up to now is 146.4 secs Computing kpt #: 208 total cpu time spent up to now is 147.0 secs Computing kpt #: 209 total cpu time spent up to now is 147.5 secs Computing kpt #: 210 total cpu time spent up to now is 148.1 secs Computing kpt #: 211 total cpu time spent up to now is 148.6 secs Computing kpt #: 212 total cpu time spent up to now is 149.1 secs Computing kpt #: 213 total cpu time spent up to now is 149.6 secs Computing kpt #: 214 total cpu time spent up to now is 150.1 secs Computing kpt #: 215 total cpu time spent up to now is 150.6 secs Computing kpt #: 216 total cpu time spent up to now is 151.1 secs Computing kpt #: 217 total cpu time spent up to now is 151.5 secs Computing kpt #: 218 total cpu time spent up to now is 152.0 secs Computing kpt #: 219 total cpu time spent up to now is 152.5 secs Computing kpt #: 220 total cpu time spent up to now is 152.9 secs Computing kpt #: 221 total cpu time spent up to now is 153.4 secs Computing kpt #: 222 total cpu time spent up to now is 153.9 secs Computing kpt #: 223 total cpu time spent up to now is 154.3 secs Computing kpt #: 224 total cpu time spent up to now is 154.8 secs Computing kpt #: 225 total cpu time spent up to now is 155.2 secs Computing kpt #: 226 total cpu time spent up to now is 155.7 secs Computing kpt #: 227 total cpu time spent up to now is 156.2 secs Computing kpt #: 228 total cpu time spent up to now is 156.6 secs Computing kpt #: 229 total cpu time spent up to now is 157.1 secs Computing kpt #: 230 total cpu time spent up to now is 157.5 secs Computing kpt #: 231 total cpu time spent up to now is 158.0 secs Computing kpt #: 232 total cpu time spent up to now is 158.5 secs Computing kpt #: 233 total cpu time spent up to now is 158.9 secs Computing kpt #: 234 total cpu time spent up to now is 159.4 secs ethr = 2.50E-08, avg # of iterations = 34.7 total cpu time spent up to now is 159.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5449 PWs) bands (ev): -25.0577 -25.0577 -24.9785 -24.9785 -24.9785 -24.9785 -9.4749 -9.4749 -8.8771 -8.8771 -8.8771 -8.8771 -8.8184 -8.8184 -8.6148 -8.6148 -8.6148 -8.6148 -8.5427 -8.5427 -8.3589 -8.3589 -8.3143 -8.3143 -8.1726 -8.1726 -8.1726 -8.1726 1.0814 1.0814 2.0252 2.0252 2.0252 2.0252 5.0971 5.0971 5.1269 5.1269 5.1269 5.1269 6.2602 6.2602 7.2786 7.2786 7.2786 7.2786 9.0205 9.0205 k = 0.0000 0.0167-0.0000 ( 5449 PWs) bands (ev): -25.0576 -25.0576 -24.9785 -24.9785 -24.9785 -24.9785 -9.4763 -9.4763 -8.8770 -8.8770 -8.8769 -8.8769 -8.8186 -8.8186 -8.6151 -8.6151 -8.6148 -8.6148 -8.5427 -8.5427 -8.3582 -8.3582 -8.3138 -8.3138 -8.1727 -8.1727 -8.1717 -8.1717 1.0806 1.0806 2.0235 2.0235 2.0250 2.0250 5.0959 5.0959 5.1248 5.1248 5.1265 5.1265 6.2649 6.2649 7.2803 7.2803 7.2820 7.2820 9.0221 9.0224 k = 0.0000 0.0333-0.0000 ( 5445 PWs) bands (ev): -25.0575 -25.0575 -24.9787 -24.9787 -24.9785 -24.9785 -9.4805 -9.4805 -8.8768 -8.8768 -8.8762 -8.8762 -8.8191 -8.8191 -8.6159 -8.6159 -8.6147 -8.6147 -8.5429 -8.5429 -8.3559 -8.3559 -8.3123 -8.3123 -8.1729 -8.1729 -8.1690 -8.1690 1.0785 1.0785 2.0183 2.0183 2.0243 2.0243 5.0918 5.0918 5.1194 5.1194 5.1253 5.1253 6.2787 6.2787 7.2856 7.2856 7.2924 7.2924 9.0266 9.0268 k = 0.0000 0.0500-0.0000 ( 5437 PWs) bands (ev): -25.0572 -25.0572 -24.9789 -24.9789 -24.9785 -24.9785 -9.4874 -9.4874 -8.8764 -8.8764 -8.8754 -8.8754 -8.8199 -8.8199 -8.6173 -8.6173 -8.6146 -8.6146 -8.5431 -8.5431 -8.3520 -8.3520 -8.3100 -8.3100 -8.1733 -8.1733 -8.1646 -8.1646 1.0749 1.0749 2.0099 2.0099 2.0232 2.0232 5.0830 5.0830 5.1127 5.1127 5.1234 5.1234 6.3013 6.3013 7.2943 7.2943 7.3098 7.3098 9.0335 9.0335 k = 0.0000 0.0667-0.0000 ( 5429 PWs) bands (ev): -25.0569 -25.0569 -24.9792 -24.9792 -24.9785 -24.9785 -9.4967 -9.4967 -8.8758 -8.8758 -8.8743 -8.8743 -8.8210 -8.8210 -8.6191 -8.6191 -8.6144 -8.6144 -8.5434 -8.5434 -8.3466 -8.3466 -8.3071 -8.3071 -8.1739 -8.1739 -8.1583 -8.1583 1.0700 1.0700 1.9984 1.9984 2.0216 2.0216 5.0679 5.0679 5.1067 5.1067 5.1208 5.1208 6.3320 6.3320 7.3064 7.3064 7.3342 7.3342 9.0426 9.0426 k = 0.0000 0.0833-0.0000 ( 5429 PWs) bands (ev): -25.0564 -25.0564 -24.9796 -24.9796 -24.9784 -24.9784 -9.5083 -9.5083 -8.8751 -8.8751 -8.8735 -8.8735 -8.8222 -8.8222 -8.6213 -8.6213 -8.6142 -8.6142 -8.5438 -8.5438 -8.3397 -8.3397 -8.3037 -8.3037 -8.1746 -8.1746 -8.1501 -8.1501 1.0636 1.0636 1.9841 1.9841 2.0197 2.0197 5.0470 5.0470 5.1017 5.1017 5.1175 5.1175 6.3701 6.3701 7.3220 7.3220 7.3655 7.3655 9.0540 9.0540 k = 0.0000 0.1000-0.0000 ( 5425 PWs) bands (ev): -25.0559 -25.0559 -24.9801 -24.9801 -24.9784 -24.9784 -9.5217 -9.5217 -8.8743 -8.8743 -8.8730 -8.8730 -8.8234 -8.8234 -8.6238 -8.6238 -8.6140 -8.6140 -8.5444 -8.5444 -8.3318 -8.3318 -8.2998 -8.2998 -8.1755 -8.1755 -8.1402 -8.1402 1.0558 1.0558 1.9674 1.9674 2.0173 2.0173 5.0214 5.0214 5.0970 5.0970 5.1136 5.1136 6.4145 6.4145 7.3408 7.3408 7.4039 7.4039 9.0677 9.0677 k = 0.0000 0.1167-0.0000 ( 5410 PWs) bands (ev): -25.0553 -25.0553 -24.9807 -24.9807 -24.9784 -24.9784 -9.5368 -9.5368 -8.8733 -8.8733 -8.8733 -8.8733 -8.8242 -8.8242 -8.6265 -8.6265 -8.6137 -8.6137 -8.5450 -8.5450 -8.3235 -8.3235 -8.2948 -8.2948 -8.1765 -8.1765 -8.1285 -8.1285 1.0468 1.0468 1.9485 1.9485 2.0146 2.0146 4.9922 4.9922 5.0922 5.0922 5.1091 5.1091 6.4644 6.4644 7.3629 7.3629 7.4494 7.4494 9.0838 9.0838 k = 0.0000 0.1333-0.0000 ( 5406 PWs) bands (ev): -25.0546 -25.0546 -24.9813 -24.9813 -24.9784 -24.9784 -9.5531 -9.5531 -8.8745 -8.8745 -8.8722 -8.8722 -8.8245 -8.8245 -8.6293 -8.6293 -8.6133 -8.6133 -8.5457 -8.5457 -8.3162 -8.3162 -8.2880 -8.2880 -8.1777 -8.1777 -8.1153 -8.1153 1.0364 1.0364 1.9280 1.9280 2.0116 2.0116 4.9601 4.9601 5.0871 5.0871 5.1041 5.1041 6.5189 6.5189 7.3881 7.3881 7.5020 7.5020 9.1022 9.1022 k = 0.0000 0.1500-0.0000 ( 5402 PWs) bands (ev): -25.0538 -25.0538 -24.9821 -24.9821 -24.9784 -24.9784 -9.5704 -9.5704 -8.8770 -8.8770 -8.8710 -8.8710 -8.8241 -8.8241 -8.6321 -8.6321 -8.6129 -8.6129 -8.5466 -8.5466 -8.3109 -8.3109 -8.2782 -8.2782 -8.1790 -8.1790 -8.1006 -8.1006 1.0248 1.0248 1.9062 1.9062 2.0083 2.0083 4.9258 4.9258 5.0818 5.0818 5.0987 5.0987 6.5770 6.5770 7.4162 7.4162 7.5616 7.5616 9.1231 9.1231 k = 0.0000 0.1667-0.0000 ( 5398 PWs) bands (ev): -25.0529 -25.0529 -24.9829 -24.9829 -24.9784 -24.9784 -9.5884 -9.5884 -8.8807 -8.8807 -8.8697 -8.8697 -8.8230 -8.8230 -8.6350 -8.6350 -8.6124 -8.6124 -8.5475 -8.5475 -8.3077 -8.3077 -8.2659 -8.2659 -8.1803 -8.1803 -8.0847 -8.0847 1.0121 1.0121 1.8835 1.8835 2.0047 2.0047 4.8898 4.8898 5.0762 5.0762 5.0928 5.0928 6.6379 6.6379 7.4473 7.4473 7.6281 7.6281 9.1464 9.1464 k = 0.0000 0.1833-0.0000 ( 5410 PWs) bands (ev): -25.0519 -25.0519 -24.9839 -24.9839 -24.9784 -24.9784 -9.6068 -9.6068 -8.8855 -8.8855 -8.8683 -8.8683 -8.8212 -8.8212 -8.6378 -8.6378 -8.6119 -8.6119 -8.5486 -8.5486 -8.3060 -8.3060 -8.2518 -8.2518 -8.1818 -8.1818 -8.0679 -8.0679 0.9983 0.9983 1.8603 1.8603 2.0009 2.0009 4.8527 4.8527 5.0704 5.0704 5.0867 5.0867 6.7008 6.7008 7.4809 7.4809 7.7014 7.7014 9.1720 9.1720 k = 0.0000 0.2000-0.0000 ( 5438 PWs) bands (ev): -25.0509 -25.0509 -24.9848 -24.9848 -24.9784 -24.9784 -9.6254 -9.6254 -8.8911 -8.8911 -8.8669 -8.8669 -8.8190 -8.8190 -8.6405 -8.6405 -8.6113 -8.6113 -8.5497 -8.5497 -8.3052 -8.3052 -8.2367 -8.2367 -8.1834 -8.1834 -8.0503 -8.0503 0.9835 0.9835 1.8371 1.8371 1.9969 1.9969 4.8148 4.8148 5.0644 5.0644 5.0803 5.0803 6.7650 6.7650 7.5170 7.5170 7.7813 7.7813 9.2001 9.2001 k = 0.0000 0.2167-0.0000 ( 5430 PWs) bands (ev): -25.0498 -25.0498 -24.9859 -24.9859 -24.9783 -24.9783 -9.6440 -9.6440 -8.8974 -8.8974 -8.8654 -8.8654 -8.8162 -8.8162 -8.6430 -8.6430 -8.6106 -8.6106 -8.5510 -8.5510 -8.3050 -8.3050 -8.2211 -8.2211 -8.1849 -8.1849 -8.0321 -8.0321 0.9680 0.9680 1.8140 1.8140 1.9928 1.9928 4.7765 4.7765 5.0582 5.0582 5.0738 5.0738 6.8299 6.8299 7.5554 7.5554 7.8673 7.8673 9.2304 9.2304 k = 0.0000 0.2333-0.0000 ( 5422 PWs) bands (ev): -25.0486 -25.0486 -24.9870 -24.9870 -24.9783 -24.9783 -9.6623 -9.6623 -8.9042 -8.9042 -8.8639 -8.8639 -8.8132 -8.8132 -8.6455 -8.6455 -8.6098 -8.6098 -8.5523 -8.5523 -8.3053 -8.3053 -8.2053 -8.2053 -8.1866 -8.1866 -8.0135 -8.0135 0.9518 0.9518 1.7914 1.7914 1.9886 1.9886 4.7383 4.7383 5.0521 5.0521 5.0672 5.0672 6.8950 6.8950 7.5957 7.5957 7.9590 7.9590 9.2632 9.2632 k = 0.0000 0.2500-0.0000 ( 5430 PWs) bands (ev): -25.0474 -25.0474 -24.9882 -24.9882 -24.9783 -24.9783 -9.6803 -9.6803 -8.9112 -8.9112 -8.8624 -8.8624 -8.8100 -8.8100 -8.6479 -8.6479 -8.6089 -8.6089 -8.5537 -8.5537 -8.3060 -8.3060 -8.1896 -8.1896 -8.1882 -8.1882 -7.9948 -7.9948 0.9350 0.9350 1.7696 1.7696 1.9844 1.9844 4.7005 4.7005 5.0459 5.0459 5.0606 5.0606 6.9598 6.9598 7.6377 7.6377 8.0557 8.0557 9.2982 9.2982 k = 0.0000 0.2667-0.0000 ( 5430 PWs) bands (ev): -25.0461 -25.0461 -24.9894 -24.9894 -24.9783 -24.9783 -9.6977 -9.6977 -8.9183 -8.9183 -8.8608 -8.8608 -8.8066 -8.8066 -8.6502 -8.6502 -8.6080 -8.6080 -8.5552 -8.5552 -8.3068 -8.3068 -8.1899 -8.1899 -8.1742 -8.1742 -7.9762 -7.9762 0.9180 0.9180 1.7487 1.7487 1.9802 1.9802 4.6635 4.6635 5.0398 5.0398 5.0540 5.0540 7.0239 7.0239 7.6809 7.6809 8.1566 8.1566 9.3355 9.3355 k = 0.0000 0.2833-0.0000 ( 5422 PWs) bands (ev): -25.0448 -25.0448 -24.9907 -24.9907 -24.9783 -24.9783 -9.7144 -9.7144 -8.9255 -8.9255 -8.8593 -8.8593 -8.8032 -8.8032 -8.6524 -8.6524 -8.6069 -8.6069 -8.5568 -8.5568 -8.3079 -8.3079 -8.1915 -8.1915 -8.1594 -8.1594 -7.9578 -7.9578 0.9009 0.9009 1.7289 1.7289 1.9760 1.9760 4.6275 4.6275 5.0338 5.0338 5.0476 5.0476 7.0871 7.0871 7.7252 7.7252 8.2607 8.2607 9.3751 9.3751 k = 0.0000 0.3000-0.0000 ( 5406 PWs) bands (ev): -25.0434 -25.0434 -24.9920 -24.9920 -24.9783 -24.9783 -9.7303 -9.7303 -8.9324 -8.9324 -8.8578 -8.8578 -8.7997 -8.7997 -8.6545 -8.6545 -8.6057 -8.6057 -8.5585 -8.5585 -8.3090 -8.3090 -8.1931 -8.1931 -8.1452 -8.1452 -7.9399 -7.9399 0.8840 0.8840 1.7104 1.7104 1.9719 1.9719 4.5929 4.5929 5.0280 5.0280 5.0414 5.0414 7.1488 7.1488 7.7699 7.7699 8.3672 8.3672 9.4169 9.4169 k = 0.0000 0.3167-0.0000 ( 5402 PWs) bands (ev): -25.0420 -25.0420 -24.9933 -24.9933 -24.9782 -24.9782 -9.7452 -9.7452 -8.9391 -8.9391 -8.8563 -8.8563 -8.7963 -8.7963 -8.6565 -8.6565 -8.6044 -8.6044 -8.5603 -8.5603 -8.3103 -8.3103 -8.1947 -8.1947 -8.1318 -8.1318 -7.9226 -7.9226 0.8673 0.8673 1.6933 1.6933 1.9680 1.9680 4.5600 4.5600 5.0225 5.0225 5.0355 5.0355 7.2087 7.2087 7.8146 7.8146 8.4746 8.4746 9.4609 9.4609 k = 0.0000 0.3333-0.0000 ( 5394 PWs) bands (ev): -25.0406 -25.0406 -24.9946 -24.9946 -24.9782 -24.9782 -9.7592 -9.7592 -8.9455 -8.9455 -8.8549 -8.8549 -8.7929 -8.7929 -8.6584 -8.6584 -8.6030 -8.6030 -8.5621 -8.5621 -8.3115 -8.3115 -8.1962 -8.1962 -8.1193 -8.1193 -7.9062 -7.9062 0.8512 0.8512 1.6775 1.6775 1.9643 1.9643 4.5290 4.5290 5.0173 5.0173 5.0299 5.0299 7.2664 7.2664 7.8588 7.8588 8.5818 8.5818 9.5070 9.5070 k = 0.0000 0.3500-0.0000 ( 5406 PWs) bands (ev): -25.0392 -25.0392 -24.9959 -24.9959 -24.9782 -24.9782 -9.7721 -9.7721 -8.9515 -8.9515 -8.8536 -8.8536 -8.7897 -8.7897 -8.6602 -8.6602 -8.6015 -8.6015 -8.5641 -8.5641 -8.3128 -8.3128 -8.1976 -8.1976 -8.1078 -8.1078 -7.8908 -7.8908 0.8360 0.8360 1.6633 1.6633 1.9608 1.9608 4.5002 4.5002 5.0124 5.0124 5.0247 5.0247 7.3215 7.3215 7.9019 7.9019 8.6870 8.6870 9.5552 9.5552 k = 0.0000 0.3667-0.0000 ( 5398 PWs) bands (ev): -25.0379 -25.0379 -24.9973 -24.9973 -24.9782 -24.9782 -9.7837 -9.7837 -8.9570 -8.9570 -8.8524 -8.8524 -8.7867 -8.7867 -8.6620 -8.6620 -8.6000 -8.6000 -8.5660 -8.5660 -8.3140 -8.3140 -8.1989 -8.1989 -8.0973 -8.0973 -7.8766 -7.8766 0.8217 0.8217 1.6505 1.6505 1.9575 1.9575 4.4738 4.4738 5.0079 5.0079 5.0199 5.0199 7.3734 7.3734 7.9431 7.9431 8.7887 8.7887 9.6053 9.6053 k = 0.0000 0.3833-0.0000 ( 5406 PWs) bands (ev): -25.0366 -25.0366 -24.9986 -24.9986 -24.9782 -24.9782 -9.7942 -9.7942 -8.9620 -8.9620 -8.8513 -8.8513 -8.7838 -8.7838 -8.6635 -8.6635 -8.5983 -8.5983 -8.5681 -8.5681 -8.3151 -8.3151 -8.2001 -8.2001 -8.0880 -8.0880 -7.8637 -7.8637 0.8085 0.8085 1.6393 1.6393 1.9546 1.9546 4.4499 4.4499 5.0038 5.0038 5.0155 5.0155 7.4216 7.4216 7.9820 7.9820 8.8850 8.8850 9.6573 9.6573 k = 0.0000 0.4000-0.0000 ( 5402 PWs) bands (ev): -25.0353 -25.0353 -24.9998 -24.9998 -24.9782 -24.9782 -9.8033 -9.8033 -8.9664 -8.9664 -8.8503 -8.8503 -8.7812 -8.7812 -8.6650 -8.6650 -8.5966 -8.5966 -8.5701 -8.5701 -8.3161 -8.3161 -8.2012 -8.2012 -8.0798 -8.0798 -7.8522 -7.8522 0.7968 0.7968 1.6295 1.6295 1.9520 1.9520 4.4289 4.4289 5.0002 5.0002 5.0117 5.0117 7.4653 7.4653 8.0176 8.0176 8.9739 8.9739 9.7110 9.7110 k = 0.0000 0.4167-0.0000 ( 5410 PWs) bands (ev): -25.0341 -25.0341 -25.0009 -25.0009 -24.9782 -24.9782 -9.8112 -9.8112 -8.9702 -8.9702 -8.8495 -8.8495 -8.7790 -8.7790 -8.6663 -8.6663 -8.5948 -8.5948 -8.5722 -8.5722 -8.3171 -8.3171 -8.2021 -8.2021 -8.0728 -8.0728 -7.8423 -7.8423 0.7866 0.7866 1.6213 1.6213 1.9497 1.9497 4.4109 4.4109 4.9971 4.9971 5.0084 5.0084 7.5039 7.5039 8.0494 8.0494 9.0532 9.0532 9.7661 9.7661 k = 0.0000 0.4333-0.0000 ( 5410 PWs) bands (ev): -25.0331 -25.0331 -25.0019 -25.0019 -24.9782 -24.9782 -9.8176 -9.8176 -8.9733 -8.9733 -8.8488 -8.8488 -8.7770 -8.7770 -8.6674 -8.6674 -8.5929 -8.5929 -8.5743 -8.5743 -8.3178 -8.3178 -8.2029 -8.2029 -8.0670 -8.0670 -7.8341 -7.8341 0.7780 0.7780 1.6146 1.6146 1.9478 1.9478 4.3959 4.3959 4.9946 4.9946 5.0056 5.0056 7.5368 7.5368 8.0766 8.0766 9.1211 9.1211 9.8223 9.8223 k = 0.0000 0.4500-0.0000 ( 5410 PWs) bands (ev): -25.0322 -25.0322 -25.0028 -25.0028 -24.9782 -24.9782 -9.8226 -9.8226 -8.9758 -8.9758 -8.8482 -8.8482 -8.7754 -8.7754 -8.6683 -8.6683 -8.5911 -8.5911 -8.5763 -8.5763 -8.3185 -8.3185 -8.2035 -8.2035 -8.0624 -8.0624 -7.8276 -7.8276 0.7712 0.7712 1.6094 1.6094 1.9463 1.9463 4.3842 4.3842 4.9926 4.9926 5.0035 5.0035 7.5632 7.5632 8.0985 8.0985 9.1758 9.1758 9.8785 9.8785 k = 0.0000 0.4667-0.0000 ( 5414 PWs) bands (ev): -25.0316 -25.0316 -25.0034 -25.0034 -24.9782 -24.9782 -9.8263 -9.8263 -8.9776 -8.9776 -8.8478 -8.8478 -8.7743 -8.7743 -8.6690 -8.6690 -8.5893 -8.5893 -8.5782 -8.5782 -8.3189 -8.3189 -8.2040 -8.2040 -8.0592 -8.0592 -7.8229 -7.8229 0.7663 0.7663 1.6057 1.6057 1.9452 1.9452 4.3757 4.3757 4.9911 4.9911 5.0019 5.0019 7.5825 7.5825 8.1146 8.1146 9.2158 9.2158 9.9326 9.9326 k = 0.0000 0.4833-0.0000 ( 5406 PWs) bands (ev): -25.0312 -25.0312 -25.0038 -25.0038 -24.9782 -24.9782 -9.8284 -9.8284 -8.9787 -8.9787 -8.8475 -8.8475 -8.7736 -8.7736 -8.6694 -8.6694 -8.5879 -8.5879 -8.5797 -8.5797 -8.3192 -8.3192 -8.2042 -8.2042 -8.0573 -8.0573 -7.8201 -7.8201 0.7633 0.7633 1.6034 1.6034 1.9446 1.9446 4.3706 4.3706 4.9902 4.9902 5.0010 5.0010 7.5943 7.5943 8.1245 8.1245 9.2402 9.2402 9.9785 9.9785 k = 0.0000 0.5000-0.0000 ( 5406 PWs) bands (ev): -25.0310 -25.0310 -25.0039 -25.0039 -24.9782 -24.9782 -9.8292 -9.8292 -8.9790 -8.9790 -8.8474 -8.8474 -8.7734 -8.7734 -8.6695 -8.6695 -8.5872 -8.5872 -8.5804 -8.5804 -8.3193 -8.3193 -8.2043 -8.2043 -8.0566 -8.0566 -7.8191 -7.8191 0.7623 0.7623 1.6027 1.6027 1.9444 1.9444 4.3689 4.3689 4.9899 4.9899 5.0006 5.0006 7.5983 7.5983 8.1278 8.1278 9.2484 9.2484 9.9991 9.9991 k = 0.0000 0.5000-0.0000 ( 5406 PWs) bands (ev): -25.0310 -25.0310 -25.0039 -25.0039 -24.9782 -24.9782 -9.8292 -9.8292 -8.9790 -8.9790 -8.8474 -8.8474 -8.7734 -8.7734 -8.6695 -8.6695 -8.5872 -8.5872 -8.5804 -8.5804 -8.3193 -8.3193 -8.2043 -8.2043 -8.0566 -8.0566 -7.8191 -7.8191 0.7623 0.7623 1.6027 1.6027 1.9444 1.9444 4.3689 4.3689 4.9899 4.9899 5.0006 5.0006 7.5983 7.5983 8.1278 8.1278 9.2484 9.2484 9.9991 9.9991 k = 0.0167 0.5000-0.0000 ( 5406 PWs) bands (ev): -25.0310 -25.0310 -25.0039 -25.0039 -24.9782 -24.9782 -9.8301 -9.8301 -8.9793 -8.9793 -8.8474 -8.8474 -8.7731 -8.7731 -8.6695 -8.6695 -8.5890 -8.5890 -8.5784 -8.5784 -8.3189 -8.3189 -8.2042 -8.2042 -8.0567 -8.0567 -7.8187 -7.8187 0.7624 0.7624 1.6024 1.6024 1.9435 1.9435 4.3690 4.3690 4.9888 4.9888 4.9997 4.9997 7.6013 7.6013 8.1304 8.1304 9.2475 9.2475 9.9983 9.9983 k = 0.0333 0.5000-0.0000 ( 5398 PWs) bands (ev): -25.0309 -25.0309 -25.0039 -25.0039 -24.9783 -24.9783 -9.8329 -9.8329 -8.9801 -8.9801 -8.8472 -8.8472 -8.7721 -8.7721 -8.6692 -8.6692 -8.5921 -8.5921 -8.5745 -8.5745 -8.3177 -8.3177 -8.2037 -8.2037 -8.0568 -8.0568 -7.8176 -7.8176 0.7627 0.7627 1.6015 1.6015 1.9411 1.9411 4.3695 4.3695 4.9849 4.9849 4.9975 4.9975 7.6104 7.6104 8.1383 8.1383 9.2449 9.2449 9.9957 9.9957 k = 0.0500 0.5000-0.0000 ( 5410 PWs) bands (ev): -25.0307 -25.0307 -25.0039 -25.0039 -24.9785 -24.9785 -9.8374 -9.8374 -8.9814 -8.9814 -8.8470 -8.8470 -8.7707 -8.7707 -8.6689 -8.6689 -8.5954 -8.5954 -8.5702 -8.5702 -8.3159 -8.3159 -8.2028 -8.2028 -8.0571 -8.0571 -7.8157 -7.8157 0.7632 0.7632 1.6000 1.6000 1.9370 1.9370 4.3702 4.3702 4.9770 4.9770 4.9952 4.9952 7.6253 7.6253 8.1516 8.1516 9.2401 9.2401 9.9915 9.9915 k = 0.0667 0.5000-0.0000 ( 5414 PWs) bands (ev): -25.0304 -25.0304 -25.0039 -25.0039 -24.9788 -24.9788 -9.8436 -9.8436 -8.9833 -8.9833 -8.8466 -8.8466 -8.7688 -8.7688 -8.6684 -8.6684 -8.5984 -8.5984 -8.5656 -8.5656 -8.3134 -8.3134 -8.2016 -8.2016 -8.0575 -8.0575 -7.8130 -7.8130 0.7638 0.7638 1.5979 1.5979 1.9315 1.9315 4.3711 4.3711 4.9650 4.9650 4.9930 4.9930 7.6459 7.6459 8.1703 8.1703 9.2327 9.2327 9.9859 9.9859 k = 0.0833 0.5000-0.0000 ( 5408 PWs) bands (ev): -25.0301 -25.0301 -25.0039 -25.0039 -24.9791 -24.9791 -9.8514 -9.8514 -8.9857 -8.9857 -8.8459 -8.8459 -8.7665 -8.7665 -8.6679 -8.6679 -8.6011 -8.6011 -8.5607 -8.5607 -8.3105 -8.3105 -8.1999 -8.1999 -8.0580 -8.0580 -7.8094 -7.8094 0.7646 0.7646 1.5952 1.5952 1.9246 1.9246 4.3722 4.3722 4.9495 4.9495 4.9908 4.9908 7.6717 7.6717 8.1946 8.1946 9.2220 9.2220 9.9791 9.9791 k = 0.1000 0.5000-0.0000 ( 5408 PWs) bands (ev): -25.0297 -25.0297 -25.0039 -25.0039 -24.9794 -24.9794 -9.8606 -9.8606 -8.9885 -8.9885 -8.8451 -8.8451 -8.7639 -8.7639 -8.6673 -8.6673 -8.6035 -8.6035 -8.5558 -8.5558 -8.3073 -8.3073 -8.1978 -8.1978 -8.0585 -8.0585 -7.8051 -7.8051 0.7654 0.7654 1.5919 1.5919 1.9167 1.9167 4.3734 4.3734 4.9307 4.9307 4.9884 4.9884 7.7025 7.7025 8.2247 8.2247 9.2073 9.2073 9.9712 9.9712 k = 0.1167 0.5000-0.0000 ( 5404 PWs) bands (ev): -25.0292 -25.0292 -25.0039 -25.0039 -24.9799 -24.9799 -9.8710 -9.8710 -8.9917 -8.9917 -8.8441 -8.8441 -8.7610 -8.7610 -8.6667 -8.6667 -8.6055 -8.6055 -8.5507 -8.5507 -8.3039 -8.3039 -8.1952 -8.1952 -8.0591 -8.0591 -7.8000 -7.8000 0.7663 0.7663 1.5881 1.5881 1.9078 1.9078 4.3748 4.3748 4.9091 4.9091 4.9857 4.9857 7.7377 7.7377 8.2609 8.2609 9.1878 9.1878 9.9625 9.9625 k = 0.1333 0.5000-0.0000 ( 5406 PWs) bands (ev): -25.0286 -25.0286 -25.0039 -25.0039 -24.9804 -24.9804 -9.8826 -9.8826 -8.9953 -8.9953 -8.8429 -8.8429 -8.7580 -8.7580 -8.6662 -8.6662 -8.6073 -8.6073 -8.5455 -8.5455 -8.3006 -8.3006 -8.1920 -8.1920 -8.0598 -8.0598 -7.7941 -7.7941 0.7672 0.7672 1.5837 1.5837 1.8981 1.8981 4.3761 4.3761 4.8848 4.8848 4.9828 4.9828 7.7767 7.7767 8.3034 8.3034 9.1629 9.1629 9.9532 9.9532 k = 0.1500 0.5000-0.0000 ( 5406 PWs) bands (ev): -25.0280 -25.0280 -25.0039 -25.0039 -24.9809 -24.9809 -9.8950 -9.8950 -8.9992 -8.9992 -8.8415 -8.8415 -8.7549 -8.7549 -8.6658 -8.6658 -8.6086 -8.6086 -8.5403 -8.5403 -8.2976 -8.2976 -8.1883 -8.1883 -8.0605 -8.0605 -7.7873 -7.7873 0.7680 0.7680 1.5789 1.5789 1.8880 1.8880 4.3774 4.3774 4.8584 4.8584 4.9796 4.9796 7.8190 7.8190 8.3523 8.3523 9.1321 9.1321 9.9436 9.9436 k = 0.1667 0.5000-0.0000 ( 5418 PWs) bands (ev): -25.0273 -25.0273 -25.0039 -25.0039 -24.9816 -24.9816 -9.9082 -9.9082 -9.0034 -9.0034 -8.8399 -8.8399 -8.7518 -8.7518 -8.6655 -8.6655 -8.6097 -8.6097 -8.5351 -8.5351 -8.2949 -8.2949 -8.1841 -8.1841 -8.0612 -8.0612 -7.7798 -7.7798 0.7687 0.7687 1.5736 1.5736 1.8776 1.8776 4.3787 4.3787 4.8301 4.8301 4.9762 4.9762 7.8640 7.8640 8.4079 8.4079 9.0956 9.0956 9.9337 9.9337 k = 0.1833 0.5000-0.0000 ( 5410 PWs) bands (ev): -25.0266 -25.0266 -25.0038 -25.0038 -24.9823 -24.9823 -9.9218 -9.9218 -9.0078 -9.0078 -8.8381 -8.8381 -8.7487 -8.7487 -8.6653 -8.6653 -8.6104 -8.6104 -8.5298 -8.5298 -8.2925 -8.2925 -8.1796 -8.1796 -8.0618 -8.0618 -7.7715 -7.7715 0.7693 0.7693 1.5679 1.5679 1.8672 1.8672 4.3798 4.3798 4.8002 4.8002 4.9726 4.9726 7.9110 7.9110 8.4703 8.4703 9.0539 9.0539 9.9238 9.9238 k = 0.2000 0.5000-0.0000 ( 5412 PWs) bands (ev): -25.0258 -25.0258 -25.0038 -25.0038 -24.9830 -24.9830 -9.9359 -9.9359 -9.0123 -9.0123 -8.8362 -8.8362 -8.7456 -8.7456 -8.6653 -8.6653 -8.6108 -8.6108 -8.5246 -8.5246 -8.2907 -8.2907 -8.1747 -8.1747 -8.0625 -8.0625 -7.7625 -7.7625 0.7696 0.7696 1.5618 1.5618 1.8569 1.8569 4.3808 4.3808 4.7692 4.7692 4.9688 4.9688 7.9597 7.9597 8.5393 8.5393 9.0079 9.0079 9.9141 9.9141 k = 0.2167 0.5000-0.0000 ( 5406 PWs) bands (ev): -25.0249 -25.0249 -25.0038 -25.0038 -24.9838 -24.9838 -9.9501 -9.9501 -9.0169 -9.0169 -8.8342 -8.8342 -8.7426 -8.7426 -8.6653 -8.6653 -8.6110 -8.6110 -8.5194 -8.5194 -8.2893 -8.2893 -8.1697 -8.1697 -8.0630 -8.0630 -7.7529 -7.7529 0.7697 0.7697 1.5556 1.5556 1.8469 1.8469 4.3816 4.3816 4.7375 4.7375 4.9649 4.9649 8.0095 8.0095 8.6146 8.6146 8.9588 8.9588 9.9046 9.9046 k = 0.2333 0.5000-0.0000 ( 5406 PWs) bands (ev): -25.0240 -25.0240 -25.0038 -25.0038 -24.9847 -24.9847 -9.9643 -9.9643 -9.0216 -9.0216 -8.8321 -8.8321 -8.7398 -8.7398 -8.6655 -8.6655 -8.6109 -8.6109 -8.5143 -8.5143 -8.2884 -8.2884 -8.1647 -8.1647 -8.0635 -8.0635 -7.7426 -7.7426 0.7695 0.7695 1.5491 1.5491 1.8373 1.8373 4.3822 4.3822 4.7053 4.7053 4.9610 4.9610 8.0601 8.0601 8.6954 8.6954 8.9086 8.9086 9.8956 9.8956 k = 0.2500 0.5000-0.0000 ( 5390 PWs) bands (ev): -25.0230 -25.0230 -25.0037 -25.0037 -24.9856 -24.9856 -9.9783 -9.9783 -9.0262 -9.0262 -8.8299 -8.8299 -8.7370 -8.7370 -8.6657 -8.6657 -8.6107 -8.6107 -8.5094 -8.5094 -8.2879 -8.2879 -8.1598 -8.1598 -8.0638 -8.0638 -7.7319 -7.7319 0.7690 0.7690 1.5425 1.5425 1.8283 1.8283 4.3827 4.3827 4.6731 4.6731 4.9570 4.9570 8.1111 8.1111 8.7760 8.7760 8.8636 8.8636 9.8869 9.8869 k = 0.2667 0.5000-0.0000 ( 5404 PWs) bands (ev): -25.0219 -25.0219 -25.0037 -25.0037 -24.9866 -24.9866 -9.9922 -9.9922 -9.0308 -9.0308 -8.8278 -8.8278 -8.7344 -8.7344 -8.6660 -8.6660 -8.6104 -8.6104 -8.5046 -8.5046 -8.2877 -8.2877 -8.1553 -8.1553 -8.0639 -8.0639 -7.7209 -7.7209 0.7682 0.7682 1.5360 1.5360 1.8199 1.8199 4.3830 4.3830 4.6412 4.6412 4.9531 4.9531 8.1623 8.1623 8.7880 8.7880 8.8928 8.8928 9.8788 9.8788 k = 0.2833 0.5000-0.0000 ( 5404 PWs) bands (ev): -25.0209 -25.0209 -25.0037 -25.0037 -24.9876 -24.9876 -10.0055 -10.0055 -9.0352 -9.0352 -8.8256 -8.8256 -8.7319 -8.7319 -8.6663 -8.6663 -8.6099 -8.6099 -8.5000 -8.5000 -8.2877 -8.2877 -8.1511 -8.1511 -8.0640 -8.0640 -7.7097 -7.7097 0.7671 0.7671 1.5295 1.5295 1.8122 1.8122 4.3831 4.3831 4.6099 4.6099 4.9491 4.9491 8.2133 8.2133 8.7416 8.7416 8.9861 8.9861 9.8712 9.8712 k = 0.3000 0.5000-0.0000 ( 5404 PWs) bands (ev): -25.0197 -25.0197 -25.0037 -25.0037 -24.9886 -24.9886 -10.0184 -10.0184 -9.0395 -9.0395 -8.8235 -8.8235 -8.7296 -8.7296 -8.6667 -8.6667 -8.6094 -8.6094 -8.4957 -8.4957 -8.2880 -8.2880 -8.1474 -8.1474 -8.0638 -8.0638 -7.6985 -7.6985 0.7657 0.7657 1.5233 1.5233 1.8053 1.8053 4.3830 4.3830 4.5796 4.5796 4.9453 4.9453 8.2640 8.2640 8.6924 8.6924 9.0882 9.0882 9.8640 9.8641 k = 0.3167 0.5000-0.0000 ( 5406 PWs) bands (ev): -25.0186 -25.0186 -25.0037 -25.0037 -24.9898 -24.9898 -10.0306 -10.0306 -9.0436 -9.0436 -8.8214 -8.8214 -8.7275 -8.7275 -8.6670 -8.6670 -8.6088 -8.6088 -8.4915 -8.4915 -8.2885 -8.2885 -8.1441 -8.1441 -8.0635 -8.0635 -7.6874 -7.6874 0.7641 0.7641 1.5173 1.5173 1.7990 1.7990 4.3828 4.3828 4.5505 4.5505 4.9417 4.9417 8.3139 8.3139 8.6445 8.6445 9.1949 9.1949 9.8575 9.8575 k = 0.3333 0.5000-0.0000 ( 5400 PWs) bands (ev): -25.0174 -25.0174 -25.0037 -25.0037 -24.9909 -24.9909 -10.0420 -10.0420 -9.0474 -9.0474 -8.8195 -8.8195 -8.7255 -8.7255 -8.6673 -8.6673 -8.6082 -8.6082 -8.4877 -8.4877 -8.2891 -8.2891 -8.1414 -8.1414 -8.0630 -8.0630 -7.6765 -7.6765 0.7622 0.7622 1.5117 1.5117 1.7935 1.7935 4.3825 4.3825 4.5230 4.5230 4.9382 4.9382 8.3626 8.3626 8.5991 8.5991 9.3046 9.3046 9.8515 9.8515 k = 0.3500 0.5000-0.0000 ( 5400 PWs) bands (ev): -25.0161 -25.0161 -25.0036 -25.0036 -24.9921 -24.9921 -10.0526 -10.0526 -9.0510 -9.0510 -8.8176 -8.8176 -8.7237 -8.7237 -8.6676 -8.6676 -8.6076 -8.6076 -8.4842 -8.4842 -8.2898 -8.2898 -8.1391 -8.1391 -8.0624 -8.0624 -7.6661 -7.6661 0.7603 0.7603 1.5064 1.5064 1.7886 1.7886 4.3822 4.3822 4.4974 4.4974 4.9349 4.9349 8.4097 8.4097 8.5567 8.5567 9.4165 9.4165 9.8460 9.8460 k = 0.3667 0.5000-0.0000 ( 5396 PWs) bands (ev): -25.0148 -25.0148 -25.0036 -25.0036 -24.9933 -24.9933 -10.0623 -10.0623 -9.0543 -9.0543 -8.8159 -8.8159 -8.7221 -8.7221 -8.6679 -8.6679 -8.6071 -8.6071 -8.4809 -8.4809 -8.2905 -8.2905 -8.1372 -8.1372 -8.0618 -8.0618 -7.6563 -7.6563 0.7583 0.7583 1.5017 1.5017 1.7844 1.7844 4.3817 4.3817 4.4737 4.4737 4.9319 4.9319 8.4546 8.4546 8.5180 8.5180 9.5293 9.5293 9.8410 9.8411 k = 0.3833 0.5000-0.0000 ( 5396 PWs) bands (ev): -25.0135 -25.0135 -25.0036 -25.0036 -24.9946 -24.9946 -10.0710 -10.0710 -9.0572 -9.0572 -8.8143 -8.8143 -8.7206 -8.7206 -8.6682 -8.6682 -8.6065 -8.6065 -8.4780 -8.4780 -8.2912 -8.2912 -8.1357 -8.1357 -8.0611 -8.0611 -7.6473 -7.6473 0.7563 0.7563 1.4974 1.4974 1.7809 1.7809 4.3813 4.3813 4.4524 4.4524 4.9292 4.9292 8.4816 8.4816 8.4983 8.4983 9.6418 9.6418 9.8366 9.8367 k = 0.4000 0.5000-0.0000 ( 5402 PWs) bands (ev): -25.0122 -25.0122 -25.0036 -25.0036 -24.9959 -24.9959 -10.0787 -10.0787 -9.0599 -9.0599 -8.8130 -8.8130 -8.7194 -8.7194 -8.6684 -8.6684 -8.6060 -8.6060 -8.4755 -8.4755 -8.2919 -8.2919 -8.1346 -8.1346 -8.0604 -8.0604 -7.6392 -7.6392 0.7544 0.7544 1.4937 1.4937 1.7779 1.7779 4.3808 4.3808 4.4335 4.4335 4.9267 4.9267 8.4516 8.4516 8.5362 8.5362 9.7520 9.7520 9.8328 9.8329 k = 0.4167 0.5000-0.0000 ( 5392 PWs) bands (ev): -25.0109 -25.0109 -25.0036 -25.0036 -24.9972 -24.9972 -10.0853 -10.0853 -9.0621 -9.0621 -8.8117 -8.8117 -8.7183 -8.7183 -8.6686 -8.6686 -8.6056 -8.6056 -8.4733 -8.4733 -8.2925 -8.2925 -8.1338 -8.1338 -8.0597 -8.0597 -7.6321 -7.6321 0.7526 0.7526 1.4906 1.4906 1.7754 1.7754 4.3804 4.3804 4.4172 4.4172 4.9246 4.9246 8.4252 8.4252 8.5709 8.5709 9.8288 9.8288 9.8387 9.8388 k = 0.4333 0.5000-0.0000 ( 5400 PWs) bands (ev): -25.0095 -25.0095 -25.0036 -25.0036 -24.9985 -24.9985 -10.0907 -10.0907 -9.0640 -9.0640 -8.8108 -8.8108 -8.7175 -8.7175 -8.6687 -8.6687 -8.6052 -8.6052 -8.4715 -8.4715 -8.2930 -8.2930 -8.1331 -8.1331 -8.0592 -8.0592 -7.6261 -7.6261 0.7511 0.7511 1.4880 1.4880 1.7735 1.7735 4.3800 4.3800 4.4037 4.4037 4.9229 4.9229 8.4033 8.4033 8.6006 8.6006 9.8264 9.8264 9.8357 9.8357 k = 0.4500 0.5000-0.0000 ( 5408 PWs) bands (ev): -25.0081 -25.0081 -25.0036 -25.0036 -24.9998 -24.9998 -10.0950 -10.0950 -9.0654 -9.0654 -8.8100 -8.8100 -8.7168 -8.7168 -8.6689 -8.6689 -8.6049 -8.6049 -8.4701 -8.4701 -8.2935 -8.2935 -8.1327 -8.1327 -8.0587 -8.0587 -7.6214 -7.6214 0.7498 0.7498 1.4859 1.4859 1.7720 1.7720 4.3797 4.3797 4.3931 4.3931 4.9215 4.9215 8.3861 8.3861 8.6247 8.6247 9.8243 9.8243 9.8334 9.8334 k = 0.4667 0.5000-0.0000 ( 5400 PWs) bands (ev): -25.0068 -25.0068 -25.0036 -25.0036 -25.0012 -25.0012 -10.0980 -10.0980 -9.0665 -9.0665 -8.8094 -8.8094 -8.7163 -8.7163 -8.6689 -8.6689 -8.6047 -8.6047 -8.4691 -8.4691 -8.2938 -8.2938 -8.1324 -8.1324 -8.0583 -8.0583 -7.6180 -7.6180 0.7489 0.7489 1.4845 1.4845 1.7710 1.7710 4.3794 4.3794 4.3854 4.3854 4.9205 4.9205 8.3737 8.3737 8.6425 8.6425 9.8227 9.8227 9.8318 9.8318 k = 0.4833 0.5000-0.0000 ( 5416 PWs) bands (ev): -25.0054 -25.0054 -25.0036 -25.0036 -25.0025 -25.0025 -10.0999 -10.0999 -9.0671 -9.0671 -8.8091 -8.8091 -8.7160 -8.7160 -8.6690 -8.6690 -8.6046 -8.6046 -8.4685 -8.4685 -8.2940 -8.2940 -8.1323 -8.1323 -8.0581 -8.0581 -7.6159 -7.6159 0.7483 0.7483 1.4836 1.4836 1.7704 1.7704 4.3793 4.3793 4.3809 4.3809 4.9199 4.9199 8.3662 8.3662 8.6534 8.6534 9.8218 9.8218 9.8308 9.8308 k = 0.5000 0.5000-0.0000 ( 5440 PWs) bands (ev): -25.0044 -25.0044 -25.0036 -25.0036 -25.0036 -25.0036 -10.1005 -10.1005 -9.0674 -9.0674 -8.8090 -8.8090 -8.7159 -8.7159 -8.6690 -8.6690 -8.6046 -8.6046 -8.4683 -8.4683 -8.2941 -8.2941 -8.1322 -8.1322 -8.0581 -8.0581 -7.6152 -7.6152 0.7481 0.7481 1.4833 1.4833 1.7701 1.7701 4.3790 4.3790 4.3795 4.3795 4.9197 4.9197 8.3638 8.3638 8.6571 8.6571 9.8215 9.8215 9.8305 9.8305 k = 0.5000 0.5000-0.0000 ( 5440 PWs) bands (ev): -25.0044 -25.0044 -25.0036 -25.0036 -25.0036 -25.0036 -10.1005 -10.1005 -9.0674 -9.0674 -8.8090 -8.8090 -8.7159 -8.7159 -8.6690 -8.6690 -8.6046 -8.6046 -8.4683 -8.4683 -8.2941 -8.2941 -8.1322 -8.1322 -8.0581 -8.0581 -7.6152 -7.6152 0.7481 0.7481 1.4833 1.4833 1.7701 1.7701 4.3790 4.3790 4.3795 4.3795 4.9197 4.9197 8.3638 8.3638 8.6571 8.6571 9.8215 9.8215 9.8305 9.8305 k = 0.4884 0.4884-0.0000 ( 5424 PWs) bands (ev): -25.0054 -25.0054 -25.0035 -25.0035 -25.0026 -25.0026 -10.0999 -10.0999 -9.0671 -9.0671 -8.8091 -8.8091 -8.7160 -8.7160 -8.6690 -8.6690 -8.6046 -8.6046 -8.4685 -8.4685 -8.2940 -8.2940 -8.1323 -8.1323 -8.0581 -8.0581 -7.6159 -7.6159 0.7483 0.7483 1.4836 1.4836 1.7703 1.7703 4.3797 4.3797 4.3804 4.3804 4.9199 4.9199 8.3662 8.3662 8.6535 8.6535 9.8215 9.8215 9.8311 9.8311 k = 0.4767 0.4767-0.0000 ( 5416 PWs) bands (ev): -25.0068 -25.0068 -25.0034 -25.0034 -25.0013 -25.0013 -10.0981 -10.0981 -9.0665 -9.0665 -8.8094 -8.8094 -8.7163 -8.7163 -8.6690 -8.6690 -8.6047 -8.6047 -8.4691 -8.4691 -8.2938 -8.2938 -8.1324 -8.1324 -8.0584 -8.0584 -7.6179 -7.6179 0.7489 0.7489 1.4845 1.4845 1.7709 1.7709 4.3816 4.3816 4.3831 4.3831 4.9205 4.9205 8.3733 8.3733 8.6429 8.6429 9.8195 9.8195 9.8349 9.8349 k = 0.4651 0.4651-0.0000 ( 5412 PWs) bands (ev): -25.0082 -25.0082 -25.0033 -25.0033 -25.0000 -25.0000 -10.0951 -10.0951 -9.0655 -9.0655 -8.8099 -8.8099 -8.7168 -8.7168 -8.6689 -8.6689 -8.6049 -8.6049 -8.4701 -8.4701 -8.2935 -8.2935 -8.1327 -8.1327 -8.0587 -8.0587 -7.6213 -7.6213 0.7498 0.7498 1.4859 1.4859 1.7719 1.7719 4.3846 4.3846 4.3878 4.3878 4.9214 4.9214 8.3846 8.3846 8.6257 8.6257 9.8140 9.8140 9.8435 9.8435 k = 0.4535 0.4535-0.0000 ( 5408 PWs) bands (ev): -25.0097 -25.0097 -25.0030 -25.0030 -24.9988 -24.9988 -10.0909 -10.0909 -9.0640 -9.0640 -8.8107 -8.8107 -8.7175 -8.7175 -8.6687 -8.6687 -8.6052 -8.6052 -8.4714 -8.4714 -8.2931 -8.2931 -8.1331 -8.1331 -8.0592 -8.0592 -7.6260 -7.6260 0.7512 0.7512 1.4879 1.4879 1.7733 1.7733 4.3889 4.3889 4.3944 4.3944 4.9228 4.9228 8.3991 8.3991 8.6028 8.6028 9.8056 9.8056 9.8563 9.8563 k = 0.4419 0.4419-0.0000 ( 5400 PWs) bands (ev): -25.0112 -25.0112 -25.0028 -25.0028 -24.9976 -24.9976 -10.0855 -10.0855 -9.0622 -9.0622 -8.8116 -8.8116 -8.7183 -8.7183 -8.6685 -8.6685 -8.6056 -8.6056 -8.4732 -8.4732 -8.2925 -8.2925 -8.1337 -8.1337 -8.0598 -8.0598 -7.6320 -7.6320 0.7530 0.7530 1.4906 1.4906 1.7752 1.7752 4.3943 4.3943 4.4029 4.4029 4.9246 4.9246 8.4148 8.4148 8.5759 8.5759 9.7947 9.7947 9.8729 9.8729 k = 0.4302 0.4302-0.0000 ( 5402 PWs) bands (ev): -25.0128 -25.0128 -25.0024 -25.0024 -24.9965 -24.9965 -10.0790 -10.0790 -9.0599 -9.0599 -8.8128 -8.8128 -8.7194 -8.7194 -8.6683 -8.6683 -8.6060 -8.6060 -8.4752 -8.4752 -8.2918 -8.2918 -8.1345 -8.1345 -8.0606 -8.0606 -7.6394 -7.6394 0.7552 0.7552 1.4940 1.4940 1.7774 1.7774 4.4010 4.4010 4.4131 4.4131 4.9267 4.9267 8.4270 8.4270 8.5493 8.5493 9.7815 9.7815 9.8600 9.8600 k = 0.4186 0.4186-0.0000 ( 5394 PWs) bands (ev): -25.0143 -25.0143 -25.0020 -25.0020 -24.9954 -24.9954 -10.0713 -10.0713 -9.0573 -9.0573 -8.8141 -8.8141 -8.7207 -8.7207 -8.6679 -8.6679 -8.6064 -8.6064 -8.4776 -8.4776 -8.2910 -8.2910 -8.1355 -8.1355 -8.0615 -8.0615 -7.6480 -7.6480 0.7578 0.7578 1.4980 1.4980 1.7801 1.7801 4.4089 4.4089 4.4250 4.4250 4.9292 4.9292 8.4247 8.4247 8.5332 8.5332 9.7658 9.7658 9.7911 9.7911 k = 0.4070 0.4070-0.0000 ( 5392 PWs) bands (ev): -25.0159 -25.0159 -25.0015 -25.0015 -24.9943 -24.9943 -10.0625 -10.0625 -9.0542 -9.0542 -8.8155 -8.8155 -8.7223 -8.7223 -8.6675 -8.6675 -8.6070 -8.6070 -8.4804 -8.4804 -8.2901 -8.2901 -8.1367 -8.1367 -8.0626 -8.0626 -7.6578 -7.6578 0.7610 0.7610 1.5029 1.5029 1.7832 1.7832 4.4180 4.4180 4.4386 4.4386 4.9321 4.9321 8.3985 8.3985 8.5359 8.5359 9.7243 9.7243 9.7490 9.7490 k = 0.3953 0.3953-0.0000 ( 5394 PWs) bands (ev): -25.0176 -25.0176 -25.0010 -25.0010 -24.9933 -24.9933 -10.0525 -10.0525 -9.0508 -9.0508 -8.8171 -8.8171 -8.7241 -8.7241 -8.6671 -8.6671 -8.6075 -8.6075 -8.4834 -8.4834 -8.2892 -8.2892 -8.1382 -8.1382 -8.0639 -8.0639 -7.6689 -7.6689 0.7646 0.7646 1.5085 1.5085 1.7868 1.7868 4.4284 4.4284 4.4539 4.4539 4.9354 4.9354 8.3553 8.3553 8.5488 8.5488 9.6630 9.6630 9.7293 9.7293 k = 0.3837 0.3837-0.0000 ( 5394 PWs) bands (ev): -25.0192 -25.0192 -25.0004 -25.0004 -24.9923 -24.9923 -10.0415 -10.0415 -9.0469 -9.0469 -8.8188 -8.8188 -8.7261 -8.7261 -8.6665 -8.6665 -8.6081 -8.6081 -8.4866 -8.4866 -8.2882 -8.2882 -8.1400 -8.1400 -8.0654 -8.0654 -7.6810 -7.6810 0.7688 0.7688 1.5150 1.5150 1.7908 1.7908 4.4400 4.4400 4.4706 4.4706 4.9391 4.9391 8.3031 8.3031 8.5620 8.5620 9.6056 9.6056 9.7067 9.7068 k = 0.3721 0.3721-0.0000 ( 5410 PWs) bands (ev): -25.0209 -25.0209 -24.9998 -24.9998 -24.9914 -24.9914 -10.0294 -10.0294 -9.0427 -9.0427 -8.8206 -8.8206 -8.7283 -8.7283 -8.6658 -8.6658 -8.6087 -8.6087 -8.4901 -8.4901 -8.2871 -8.2871 -8.1420 -8.1420 -8.0672 -8.0672 -7.6943 -7.6943 0.7736 0.7736 1.5224 1.5224 1.7953 1.7953 4.4528 4.4528 4.4888 4.4888 4.9431 4.9431 8.2454 8.2454 8.5698 8.5698 9.5450 9.5450 9.6472 9.6472 k = 0.3605 0.3605-0.0000 ( 5412 PWs) bands (ev): -25.0225 -25.0225 -24.9991 -24.9991 -24.9905 -24.9905 -10.0163 -10.0163 -9.0381 -9.0381 -8.8224 -8.8224 -8.7308 -8.7308 -8.6651 -8.6651 -8.6093 -8.6093 -8.4938 -8.4938 -8.2861 -8.2861 -8.1441 -8.1441 -8.0694 -8.0694 -7.7087 -7.7087 0.7789 0.7789 1.5307 1.5307 1.8003 1.8003 4.4669 4.4669 4.5084 4.5084 4.9474 4.9474 8.1837 8.1837 8.5687 8.5687 9.4664 9.4664 9.5994 9.5994 k = 0.3488 0.3488-0.0000 ( 5400 PWs) bands (ev): -25.0242 -25.0242 -24.9983 -24.9983 -24.9896 -24.9896 -10.0021 -10.0021 -9.0331 -9.0331 -8.8244 -8.8244 -8.7334 -8.7334 -8.6642 -8.6642 -8.6098 -8.6098 -8.4976 -8.4976 -8.2850 -8.2850 -8.1465 -8.1465 -8.0720 -8.0720 -7.7240 -7.7240 0.7849 0.7849 1.5401 1.5401 1.8058 1.8058 4.4821 4.4821 4.5292 4.5292 4.9521 4.9521 8.1188 8.1188 8.5565 8.5565 9.3714 9.3714 9.5801 9.5801 k = 0.3372 0.3372-0.0000 ( 5406 PWs) bands (ev): -25.0259 -25.0259 -24.9976 -24.9976 -24.9888 -24.9888 -9.9870 -9.9870 -9.0277 -9.0277 -8.8264 -8.8264 -8.7363 -8.7363 -8.6633 -8.6633 -8.6104 -8.6104 -8.5016 -8.5016 -8.2840 -8.2840 -8.1490 -8.1490 -8.0751 -8.0751 -7.7402 -7.7402 0.7915 0.7915 1.5504 1.5504 1.8117 1.8117 4.4986 4.4986 4.5512 4.5512 4.9571 4.9571 8.0514 8.0514 8.5325 8.5325 9.2693 9.2693 9.5801 9.5801 k = 0.3256 0.3256-0.0000 ( 5404 PWs) bands (ev): -25.0276 -25.0276 -24.9968 -24.9968 -24.9881 -24.9881 -9.9709 -9.9709 -9.0219 -9.0219 -8.8284 -8.8284 -8.7394 -8.7394 -8.6622 -8.6622 -8.6109 -8.6109 -8.5056 -8.5056 -8.2830 -8.2830 -8.1515 -8.1515 -8.0787 -8.0787 -7.7573 -7.7573 0.7989 0.7989 1.5617 1.5617 1.8181 1.8181 4.5161 4.5161 4.5743 4.5743 4.9625 4.9625 7.9818 7.9818 8.4977 8.4977 9.1643 9.1643 9.5824 9.5824 k = 0.3140 0.3140-0.0000 ( 5404 PWs) bands (ev): -25.0292 -25.0292 -24.9960 -24.9960 -24.9873 -24.9873 -9.9540 -9.9540 -9.0159 -9.0159 -8.8305 -8.8305 -8.7428 -8.7428 -8.6611 -8.6611 -8.6114 -8.6114 -8.5096 -8.5096 -8.2821 -8.2821 -8.1542 -8.1542 -8.0830 -8.0830 -7.7751 -7.7751 0.8069 0.8069 1.5741 1.5741 1.8250 1.8250 4.5348 4.5348 4.5982 4.5982 4.9681 4.9681 7.9105 7.9105 8.4535 8.4535 9.0581 9.0581 9.5548 9.5548 k = 0.3023 0.3023-0.0000 ( 5416 PWs) bands (ev): -25.0309 -25.0309 -24.9951 -24.9951 -24.9866 -24.9866 -9.9362 -9.9362 -9.0094 -9.0094 -8.8326 -8.8326 -8.7463 -8.7463 -8.6600 -8.6600 -8.6118 -8.6118 -8.5136 -8.5136 -8.2813 -8.2813 -8.1568 -8.1568 -8.0880 -8.0880 -7.7937 -7.7937 0.8157 0.8157 1.5876 1.5876 1.8322 1.8322 4.5545 4.5545 4.6230 4.6230 4.9741 4.9741 7.8376 7.8376 8.4021 8.4021 8.9518 8.9518 9.5263 9.5263 k = 0.2907 0.2907-0.0000 ( 5411 PWs) bands (ev): -25.0326 -25.0326 -24.9942 -24.9942 -24.9859 -24.9859 -9.9176 -9.9176 -9.0026 -9.0026 -8.8347 -8.8347 -8.7500 -8.7500 -8.6587 -8.6587 -8.6122 -8.6122 -8.5175 -8.5175 -8.2806 -8.2806 -8.1594 -8.1594 -8.0937 -8.0937 -7.8128 -7.8128 0.8252 0.8252 1.6021 1.6021 1.8400 1.8400 4.5752 4.5752 4.6484 4.6484 4.9803 4.9803 7.7635 7.7635 8.3452 8.3452 8.8460 8.8460 9.4973 9.4973 k = 0.2791 0.2791-0.0000 ( 5411 PWs) bands (ev): -25.0342 -25.0342 -24.9933 -24.9933 -24.9853 -24.9853 -9.8982 -9.8982 -8.9955 -8.9955 -8.8368 -8.8368 -8.7540 -8.7540 -8.6575 -8.6575 -8.6126 -8.6126 -8.5213 -8.5213 -8.2801 -8.2801 -8.1620 -8.1620 -8.1002 -8.1002 -7.8324 -7.8324 0.8354 0.8354 1.6176 1.6176 1.8481 1.8481 4.5969 4.5969 4.6744 4.6744 4.9868 4.9868 7.6884 7.6884 8.2847 8.2847 8.7413 8.7413 9.4681 9.4681 k = 0.2674 0.2674-0.0000 ( 5411 PWs) bands (ev): -25.0358 -25.0358 -24.9924 -24.9924 -24.9847 -24.9847 -9.8782 -9.8782 -8.9881 -8.9881 -8.8390 -8.8390 -8.7581 -8.7581 -8.6561 -8.6561 -8.6129 -8.6129 -8.5250 -8.5250 -8.2797 -8.2797 -8.1645 -8.1645 -8.1075 -8.1075 -7.8523 -7.8523 0.8463 0.8463 1.6341 1.6341 1.8565 1.8565 4.6194 4.6194 4.7008 4.7008 4.9934 4.9934 7.6125 7.6125 8.2218 8.2218 8.6381 8.6381 9.4388 9.4388 k = 0.2558 0.2558-0.0000 ( 5411 PWs) bands (ev): -25.0374 -25.0374 -24.9915 -24.9915 -24.9841 -24.9841 -9.8575 -9.8575 -8.9804 -8.9804 -8.8412 -8.8412 -8.7623 -8.7623 -8.6547 -8.6547 -8.6131 -8.6131 -8.5284 -8.5284 -8.2796 -8.2796 -8.1669 -8.1669 -8.1156 -8.1156 -7.8726 -7.8726 0.8578 0.8578 1.6516 1.6516 1.8653 1.8653 4.6428 4.6428 4.7275 4.7275 5.0003 5.0003 7.5359 7.5359 8.1575 8.1575 8.5367 8.5367 9.4096 9.4096 k = 0.2442 0.2442-0.0000 ( 5403 PWs) bands (ev): -25.0390 -25.0390 -24.9906 -24.9906 -24.9836 -24.9836 -9.8363 -9.8363 -8.9724 -8.9724 -8.8434 -8.8434 -8.7668 -8.7668 -8.6533 -8.6533 -8.6133 -8.6133 -8.5315 -8.5315 -8.2796 -8.2796 -8.1692 -8.1692 -8.1245 -8.1245 -7.8930 -7.8930 0.8700 0.8700 1.6700 1.6700 1.8745 1.8745 4.6669 4.6669 4.7543 4.7543 5.0074 5.0074 7.4589 7.4589 8.0928 8.0928 8.4375 8.4375 9.3806 9.3806 k = 0.2326 0.2326-0.0000 ( 5403 PWs) bands (ev): -25.0405 -25.0405 -24.9896 -24.9896 -24.9831 -24.9831 -9.8146 -9.8146 -8.9643 -8.9643 -8.8456 -8.8456 -8.7714 -8.7714 -8.6518 -8.6518 -8.6135 -8.6135 -8.5343 -8.5343 -8.2799 -8.2799 -8.1716 -8.1716 -8.1340 -8.1340 -7.9134 -7.9134 0.8827 0.8827 1.6893 1.6893 1.8838 1.8838 4.6917 4.6917 4.7811 4.7811 5.0146 5.0146 7.3816 7.3816 8.0282 8.0282 8.3408 8.3408 9.3520 9.3520 k = 0.2209 0.2209-0.0000 ( 5401 PWs) bands (ev): -25.0420 -25.0420 -24.9887 -24.9887 -24.9826 -24.9826 -9.7925 -9.7925 -8.9560 -8.9560 -8.8479 -8.8479 -8.7761 -8.7761 -8.6503 -8.6503 -8.6136 -8.6136 -8.5369 -8.5369 -8.2804 -8.2804 -8.1744 -8.1744 -8.1439 -8.1439 -7.9337 -7.9337 0.8959 0.8959 1.7094 1.7094 1.8934 1.8934 4.7170 4.7170 4.8078 4.8078 5.0219 5.0219 7.3041 7.3041 7.9645 7.9645 8.2469 8.2469 9.3239 9.3239 k = 0.2093 0.2093-0.0000 ( 5409 PWs) bands (ev): -25.0435 -25.0435 -24.9878 -24.9878 -24.9821 -24.9821 -9.7700 -9.7700 -8.9475 -8.9475 -8.8501 -8.8501 -8.7810 -8.7810 -8.6486 -8.6486 -8.6137 -8.6137 -8.5391 -8.5391 -8.2812 -8.2812 -8.1781 -8.1781 -8.1535 -8.1535 -7.9539 -7.9539 0.9094 0.9094 1.7302 1.7302 1.9032 1.9032 4.7428 4.7428 4.8342 4.8342 5.0293 5.0293 7.2268 7.2268 7.9019 7.9019 8.1560 8.1560 9.2965 9.2965 k = 0.1977 0.1977-0.0000 ( 5413 PWs) bands (ev): -25.0449 -25.0449 -24.9870 -24.9870 -24.9817 -24.9817 -9.7474 -9.7474 -8.9390 -8.9390 -8.8523 -8.8523 -8.7859 -8.7859 -8.6470 -8.6470 -8.6138 -8.6138 -8.5409 -8.5409 -8.2823 -8.2823 -8.1842 -8.1842 -8.1613 -8.1613 -7.9737 -7.9737 0.9232 0.9232 1.7515 1.7515 1.9130 1.9130 4.7690 4.7690 4.8602 4.8602 5.0367 5.0367 7.1496 7.1496 7.8410 7.8410 8.0684 8.0684 9.2698 9.2698 k = 0.1860 0.1860-0.0000 ( 5411 PWs) bands (ev): -25.0462 -25.0462 -24.9861 -24.9861 -24.9813 -24.9813 -9.7246 -9.7246 -8.9305 -8.9305 -8.8546 -8.8546 -8.7908 -8.7908 -8.6452 -8.6452 -8.6139 -8.6139 -8.5424 -8.5424 -8.2836 -8.2836 -8.1934 -8.1934 -8.1663 -8.1663 -7.9932 -7.9932 0.9372 0.9372 1.7734 1.7734 1.9229 1.9229 4.7956 4.7956 4.8856 4.8856 5.0441 5.0441 7.0730 7.0730 7.7821 7.7821 7.9843 7.9843 9.2441 9.2441 k = 0.1744 0.1744-0.0000 ( 5407 PWs) bands (ev): -25.0475 -25.0475 -24.9853 -24.9853 -24.9810 -24.9810 -9.7018 -9.7018 -8.9221 -8.9221 -8.8568 -8.8568 -8.7957 -8.7957 -8.6434 -8.6434 -8.6140 -8.6140 -8.5436 -8.5436 -8.2853 -8.2853 -8.2052 -8.2052 -8.1691 -8.1691 -8.0121 -8.0121 0.9512 0.9512 1.7955 1.7955 1.9327 1.9327 4.8223 4.8223 4.9103 4.9103 5.0514 5.0514 6.9971 6.9971 7.7254 7.7254 7.9040 7.9040 9.2193 9.2193 k = 0.1628 0.1628-0.0000 ( 5399 PWs) bands (ev): -25.0487 -25.0487 -24.9845 -24.9845 -24.9806 -24.9806 -9.6791 -9.6791 -8.9139 -8.9139 -8.8589 -8.8589 -8.8005 -8.8005 -8.6414 -8.6414 -8.6141 -8.6141 -8.5444 -8.5444 -8.2873 -8.2873 -8.2183 -8.2183 -8.1707 -8.1707 -8.0304 -8.0304 0.9651 0.9651 1.8179 1.8179 1.9425 1.9425 4.8491 4.8491 4.9342 4.9342 5.0587 5.0587 6.9223 6.9223 7.6713 7.6713 7.8277 7.8277 9.1957 9.1957 k = 0.1512 0.1512-0.0000 ( 5401 PWs) bands (ev): -25.0499 -25.0499 -24.9837 -24.9837 -24.9803 -24.9803 -9.6567 -9.6567 -8.9061 -8.9061 -8.8610 -8.8610 -8.8051 -8.8051 -8.6394 -8.6394 -8.6141 -8.6141 -8.5450 -8.5450 -8.2897 -8.2897 -8.2320 -8.2320 -8.1717 -8.1717 -8.0480 -8.0480 0.9788 0.9788 1.8402 1.8402 1.9521 1.9521 4.8759 4.8759 4.9571 4.9571 5.0658 5.0658 6.8489 6.8489 7.6199 7.6199 7.7555 7.7555 9.1733 9.1733 k = 0.1395 0.1395-0.0000 ( 5399 PWs) bands (ev): -25.0510 -25.0510 -24.9830 -24.9830 -24.9800 -24.9800 -9.6347 -9.6347 -8.8988 -8.8988 -8.8630 -8.8630 -8.8094 -8.8094 -8.6372 -8.6372 -8.6142 -8.6142 -8.5453 -8.5453 -8.2927 -8.2927 -8.2456 -8.2456 -8.1724 -8.1724 -8.0649 -8.0649 0.9921 0.9921 1.8624 1.8624 1.9614 1.9614 4.9025 4.9025 4.9789 4.9789 5.0727 5.0727 6.7772 6.7772 7.5716 7.5716 7.6878 7.6878 9.1521 9.1521 k = 0.1279 0.1279-0.0000 ( 5419 PWs) bands (ev): -25.0521 -25.0521 -24.9823 -24.9823 -24.9798 -24.9798 -9.6133 -9.6133 -8.8922 -8.8922 -8.8650 -8.8650 -8.8134 -8.8134 -8.6350 -8.6350 -8.6143 -8.6143 -8.5454 -8.5454 -8.2964 -8.2964 -8.2587 -8.2587 -8.1728 -8.1728 -8.0809 -8.0809 1.0049 1.0049 1.8841 1.8841 1.9704 1.9704 4.9287 4.9287 4.9995 4.9995 5.0794 5.0794 6.7077 6.7077 7.5264 7.5264 7.6246 7.6246 9.1324 9.1324 k = 0.1163 0.1163-0.0000 ( 5415 PWs) bands (ev): -25.0530 -25.0530 -24.9817 -24.9817 -24.9795 -24.9795 -9.5926 -9.5926 -8.8864 -8.8864 -8.8669 -8.8669 -8.8167 -8.8167 -8.6326 -8.6326 -8.6143 -8.6143 -8.5453 -8.5453 -8.3012 -8.3012 -8.2705 -8.2705 -8.1730 -8.1730 -8.0959 -8.0959 1.0171 1.0171 1.9052 1.9052 1.9790 1.9790 4.9543 4.9543 5.0187 5.0187 5.0859 5.0859 6.6409 6.6409 7.4847 7.4847 7.5663 7.5663 9.1141 9.1141 k = 0.1047 0.1047-0.0000 ( 5405 PWs) bands (ev): -25.0539 -25.0539 -24.9811 -24.9811 -24.9793 -24.9793 -9.5729 -9.5729 -8.8816 -8.8816 -8.8686 -8.8686 -8.8193 -8.8193 -8.6302 -8.6302 -8.6144 -8.6144 -8.5451 -8.5451 -8.3076 -8.3076 -8.2804 -8.2804 -8.1731 -8.1731 -8.1098 -8.1098 1.0285 1.0285 1.9253 1.9253 1.9870 1.9870 4.9791 4.9791 5.0365 5.0365 5.0920 5.0920 6.5774 6.5774 7.4464 7.4464 7.5129 7.5129 9.0973 9.0973 k = 0.0930 0.0930-0.0000 ( 5409 PWs) bands (ev): -25.0547 -25.0547 -24.9805 -24.9805 -24.9791 -24.9791 -9.5543 -9.5543 -8.8781 -8.8781 -8.8702 -8.8702 -8.8211 -8.8211 -8.6277 -8.6277 -8.6144 -8.6144 -8.5448 -8.5448 -8.3155 -8.3155 -8.2881 -8.2881 -8.1731 -8.1731 -8.1226 -8.1226 1.0390 1.0390 1.9443 1.9443 1.9945 1.9945 5.0028 5.0028 5.0528 5.0528 5.0978 5.0978 6.5176 6.5176 7.4118 7.4118 7.4646 7.4646 9.0821 9.0821 k = 0.0814 0.0814-0.0000 ( 5417 PWs) bands (ev): -25.0553 -25.0553 -24.9801 -24.9801 -24.9790 -24.9790 -9.5372 -9.5372 -8.8759 -8.8759 -8.8717 -8.8717 -8.8220 -8.8220 -8.6253 -8.6253 -8.6145 -8.6145 -8.5445 -8.5445 -8.3241 -8.3241 -8.2941 -8.2941 -8.1730 -8.1730 -8.1341 -8.1341 1.0485 1.0485 1.9619 1.9619 2.0014 2.0014 5.0248 5.0248 5.0676 5.0676 5.1033 5.1033 6.4623 6.4623 7.3810 7.3810 7.4217 7.4217 9.0686 9.0686 k = 0.0698 0.0698-0.0000 ( 5417 PWs) bands (ev): -25.0560 -25.0560 -24.9796 -24.9796 -24.9788 -24.9788 -9.5216 -9.5216 -8.8749 -8.8749 -8.8730 -8.8730 -8.8221 -8.8221 -8.6229 -8.6229 -8.6145 -8.6145 -8.5441 -8.5441 -8.3327 -8.3327 -8.2990 -8.2990 -8.1729 -8.1729 -8.1442 -8.1442 1.0570 1.0570 1.9778 1.9778 2.0074 2.0074 5.0449 5.0449 5.0808 5.0808 5.1084 5.1084 6.4122 6.4122 7.3541 7.3541 7.3841 7.3841 9.0567 9.0567 k = 0.0581 0.0581-0.0000 ( 5425 PWs) bands (ev): -25.0565 -25.0565 -24.9793 -24.9793 -24.9787 -24.9787 -9.5080 -9.5080 -8.8748 -8.8748 -8.8741 -8.8741 -8.8215 -8.8215 -8.6207 -8.6207 -8.6146 -8.6146 -8.5437 -8.5437 -8.3405 -8.3405 -8.3032 -8.3032 -8.1729 -8.1729 -8.1528 -8.1528 1.0643 1.0643 1.9917 1.9917 2.0127 2.0127 5.0621 5.0621 5.0926 5.0926 5.1132 5.1132 6.3680 6.3680 7.3312 7.3312 7.3521 7.3521 9.0464 9.0465 k = 0.0465 0.0465-0.0000 ( 5433 PWs) bands (ev): -25.0569 -25.0569 -24.9790 -24.9790 -24.9786 -24.9786 -9.4964 -9.4964 -8.8754 -8.8754 -8.8749 -8.8749 -8.8207 -8.8207 -8.6187 -8.6187 -8.6147 -8.6147 -8.5434 -8.5434 -8.3470 -8.3470 -8.3069 -8.3069 -8.1728 -8.1728 -8.1599 -8.1599 1.0704 1.0704 2.0035 2.0035 2.0171 2.0171 5.0759 5.0759 5.1033 5.1033 5.1175 5.1175 6.3305 6.3305 7.3123 7.3123 7.3258 7.3258 9.0379 9.0379 k = 0.0349 0.0349-0.0000 ( 5437 PWs) bands (ev): -25.0572 -25.0572 -24.9788 -24.9788 -24.9786 -24.9786 -9.4871 -9.4871 -8.8761 -8.8761 -8.8757 -8.8757 -8.8198 -8.8198 -8.6171 -8.6171 -8.6147 -8.6147 -8.5431 -8.5431 -8.3522 -8.3522 -8.3100 -8.3100 -8.1727 -8.1727 -8.1654 -8.1654 1.0751 1.0751 2.0128 2.0128 2.0206 2.0206 5.0859 5.0859 5.1127 5.1127 5.1213 5.1213 6.3003 6.3003 7.2976 7.2976 7.3052 7.3052 9.0310 9.0310 k = 0.0233 0.0233-0.0000 ( 5445 PWs) bands (ev): -25.0575 -25.0575 -24.9786 -24.9786 -24.9785 -24.9785 -9.4804 -9.4804 -8.8767 -8.8767 -8.8764 -8.8764 -8.8191 -8.8191 -8.6158 -8.6158 -8.6148 -8.6148 -8.5428 -8.5428 -8.3560 -8.3560 -8.3123 -8.3123 -8.1726 -8.1726 -8.1694 -8.1694 1.0786 1.0786 2.0197 2.0197 2.0232 2.0232 5.0924 5.0924 5.1202 5.1202 5.1243 5.1243 6.2782 6.2782 7.2870 7.2870 7.2904 7.2904 9.0256 9.0256 k = 0.0116 0.0116-0.0000 ( 5449 PWs) bands (ev): -25.0576 -25.0576 -24.9785 -24.9785 -24.9785 -24.9785 -9.4762 -9.4762 -8.8770 -8.8770 -8.8769 -8.8769 -8.8186 -8.8186 -8.6151 -8.6151 -8.6148 -8.6148 -8.5427 -8.5427 -8.3582 -8.3582 -8.3138 -8.3138 -8.1726 -8.1726 -8.1718 -8.1718 1.0807 1.0807 2.0238 2.0238 2.0247 2.0247 5.0960 5.0960 5.1251 5.1251 5.1262 5.1262 6.2648 6.2648 7.2807 7.2807 7.2815 7.2815 9.0220 9.0226 k = 0.0000 0.0000 0.0000 ( 5449 PWs) bands (ev): -25.0577 -25.0577 -24.9785 -24.9785 -24.9785 -24.9785 -9.4749 -9.4749 -8.8771 -8.8771 -8.8771 -8.8771 -8.8184 -8.8184 -8.6148 -8.6148 -8.6148 -8.6148 -8.5427 -8.5427 -8.3589 -8.3589 -8.3143 -8.3143 -8.1726 -8.1726 -8.1726 -8.1726 1.0814 1.0814 2.0252 2.0252 2.0252 2.0252 5.0971 5.0971 5.1269 5.1269 5.1269 5.1269 6.2602 6.2602 7.2786 7.2786 7.2786 7.2786 9.0205 9.0205 k = 0.0000 0.0000 0.0000 ( 5449 PWs) bands (ev): -25.0577 -25.0577 -24.9785 -24.9785 -24.9785 -24.9785 -9.4749 -9.4749 -8.8771 -8.8771 -8.8771 -8.8771 -8.8184 -8.8184 -8.6148 -8.6148 -8.6148 -8.6148 -8.5427 -8.5427 -8.3589 -8.3589 -8.3143 -8.3143 -8.1726 -8.1726 -8.1726 -8.1726 1.0814 1.0814 2.0252 2.0252 2.0252 2.0252 5.0971 5.0971 5.1269 5.1269 5.1269 5.1269 6.2602 6.2602 7.2786 7.2786 7.2786 7.2786 9.0205 9.0205 k = 0.0096 0.0096 0.0096 ( 5449 PWs) bands (ev): -25.0576 -25.0576 -24.9785 -24.9785 -24.9785 -24.9785 -9.4763 -9.4763 -8.8770 -8.8770 -8.8769 -8.8769 -8.8186 -8.8186 -8.6151 -8.6151 -8.6148 -8.6148 -8.5427 -8.5427 -8.3582 -8.3582 -8.3138 -8.3138 -8.1726 -8.1726 -8.1718 -8.1718 1.0806 1.0806 2.0239 2.0239 2.0245 2.0245 5.0960 5.0960 5.1252 5.1252 5.1260 5.1260 6.2649 6.2649 7.2811 7.2811 7.2812 7.2812 9.0220 9.0229 k = 0.0192 0.0192 0.0192 ( 5449 PWs) bands (ev): -25.0575 -25.0575 -24.9786 -24.9786 -24.9786 -24.9786 -9.4805 -9.4805 -8.8766 -8.8766 -8.8765 -8.8765 -8.8191 -8.8191 -8.6158 -8.6158 -8.6148 -8.6148 -8.5429 -8.5429 -8.3559 -8.3559 -8.3123 -8.3123 -8.1725 -8.1725 -8.1694 -8.1694 1.0785 1.0785 2.0201 2.0201 2.0225 2.0225 5.0924 5.0924 5.1206 5.1206 5.1236 5.1236 6.2787 6.2787 7.2887 7.2887 7.2892 7.2892 9.0262 9.0263 k = 0.0288 0.0288 0.0288 ( 5434 PWs) bands (ev): -25.0572 -25.0572 -24.9787 -24.9787 -24.9787 -24.9787 -9.4875 -9.4875 -8.8759 -8.8759 -8.8759 -8.8759 -8.8198 -8.8198 -8.6171 -8.6171 -8.6147 -8.6147 -8.5431 -8.5431 -8.3521 -8.3521 -8.3098 -8.3098 -8.1725 -8.1725 -8.1655 -8.1655 1.0750 1.0750 2.0139 2.0139 2.0191 2.0191 5.0864 5.0864 5.1133 5.1133 5.1194 5.1194 6.3014 6.3014 7.3013 7.3013 7.3026 7.3026 9.0333 9.0334 k = 0.0385 0.0385 0.0385 ( 5428 PWs) bands (ev): -25.0569 -25.0569 -24.9788 -24.9788 -24.9788 -24.9788 -9.4970 -9.4970 -8.8753 -8.8753 -8.8749 -8.8749 -8.8207 -8.8207 -8.6188 -8.6188 -8.6147 -8.6147 -8.5434 -8.5434 -8.3468 -8.3468 -8.3066 -8.3066 -8.1724 -8.1724 -8.1600 -8.1600 1.0701 1.0701 2.0054 2.0054 2.0144 2.0144 5.0774 5.0774 5.1043 5.1043 5.1137 5.1137 6.3323 6.3323 7.3189 7.3189 7.3211 7.3211 9.0431 9.0432 k = 0.0481 0.0481 0.0481 ( 5434 PWs) bands (ev): -25.0564 -25.0564 -24.9790 -24.9790 -24.9790 -24.9790 -9.5090 -9.5090 -8.8751 -8.8751 -8.8738 -8.8738 -8.8214 -8.8214 -8.6208 -8.6208 -8.6146 -8.6146 -8.5437 -8.5437 -8.3401 -8.3401 -8.3027 -8.3027 -8.1723 -8.1723 -8.1531 -8.1531 1.0639 1.0639 1.9946 1.9946 2.0085 2.0085 5.0654 5.0654 5.0940 5.0940 5.1063 5.1063 6.3709 6.3709 7.3414 7.3414 7.3448 7.3448 9.0557 9.0557 k = 0.0577 0.0577 0.0577 ( 5422 PWs) bands (ev): -25.0559 -25.0559 -24.9793 -24.9793 -24.9793 -24.9793 -9.5232 -9.5232 -8.8755 -8.8755 -8.8725 -8.8725 -8.8217 -8.8217 -8.6232 -8.6232 -8.6145 -8.6145 -8.5440 -8.5440 -8.3322 -8.3322 -8.2982 -8.2982 -8.1721 -8.1721 -8.1446 -8.1446 1.0565 1.0565 1.9819 1.9819 2.0014 2.0014 5.0506 5.0506 5.0829 5.0829 5.0974 5.0974 6.4164 6.4164 7.3687 7.3687 7.3735 7.3735 9.0708 9.0708 k = 0.0673 0.0673 0.0673 ( 5413 PWs) bands (ev): -25.0553 -25.0553 -24.9795 -24.9795 -24.9795 -24.9795 -9.5393 -9.5393 -8.8769 -8.8769 -8.8709 -8.8709 -8.8213 -8.8213 -8.6257 -8.6257 -8.6142 -8.6142 -8.5444 -8.5444 -8.3234 -8.3234 -8.2929 -8.2929 -8.1719 -8.1719 -8.1347 -8.1347 1.0480 1.0480 1.9673 1.9673 1.9932 1.9932 5.0336 5.0336 5.0709 5.0709 5.0869 5.0869 6.4680 6.4680 7.4007 7.4007 7.4071 7.4071 9.0884 9.0886 k = 0.0769 0.0769 0.0769 ( 5413 PWs) bands (ev): -25.0546 -25.0546 -24.9799 -24.9799 -24.9799 -24.9799 -9.5573 -9.5573 -8.8795 -8.8795 -8.8693 -8.8693 -8.8199 -8.8199 -8.6284 -8.6284 -8.6139 -8.6139 -8.5447 -8.5447 -8.3144 -8.3144 -8.2866 -8.2866 -8.1717 -8.1717 -8.1235 -8.1235 1.0384 1.0384 1.9512 1.9512 1.9841 1.9841 5.0149 5.0149 5.0579 5.0579 5.0750 5.0750 6.5252 6.5252 7.4373 7.4373 7.4455 7.4455 9.1084 9.1084 k = 0.0865 0.0865 0.0865 ( 5410 PWs) bands (ev): -25.0538 -25.0538 -24.9802 -24.9802 -24.9802 -24.9802 -9.5768 -9.5768 -8.8834 -8.8834 -8.8676 -8.8676 -8.8176 -8.8176 -8.6313 -8.6313 -8.6135 -8.6135 -8.5449 -8.5449 -8.3057 -8.3057 -8.2788 -8.2788 -8.1714 -8.1714 -8.1111 -8.1111 1.0279 1.0279 1.9337 1.9337 1.9740 1.9740 4.9950 4.9950 5.0437 5.0437 5.0615 5.0615 6.5871 6.5871 7.4782 7.4782 7.4884 7.4884 9.1305 9.1305 k = 0.0962 0.0962 0.0962 ( 5422 PWs) bands (ev): -25.0529 -25.0529 -24.9807 -24.9807 -24.9807 -24.9807 -9.5976 -9.5976 -8.8884 -8.8884 -8.8658 -8.8658 -8.8143 -8.8143 -8.6343 -8.6343 -8.6129 -8.6129 -8.5450 -8.5450 -8.2982 -8.2982 -8.2690 -8.2690 -8.1711 -8.1711 -8.0975 -8.0975 1.0165 1.0165 1.9151 1.9151 1.9632 1.9632 4.9744 4.9744 5.0282 5.0282 5.0467 5.0467 6.6532 6.6532 7.5234 7.5234 7.5357 7.5357 9.1546 9.1546 k = 0.1058 0.1058 0.1058 ( 5422 PWs) bands (ev): -25.0519 -25.0519 -24.9811 -24.9811 -24.9811 -24.9811 -9.6196 -9.6196 -8.8944 -8.8944 -8.8640 -8.8640 -8.8102 -8.8102 -8.6374 -8.6374 -8.6121 -8.6121 -8.5450 -8.5450 -8.2919 -8.2919 -8.2573 -8.2573 -8.1707 -8.1707 -8.0828 -8.0828 1.0045 1.0045 1.8957 1.8957 1.9518 1.9518 4.9534 4.9534 5.0116 5.0116 5.0304 5.0304 6.7229 6.7229 7.5727 7.5727 7.5872 7.5872 9.1809 9.1824 k = 0.1154 0.1154 0.1154 ( 5422 PWs) bands (ev): -25.0509 -25.0509 -24.9816 -24.9816 -24.9816 -24.9816 -9.6426 -9.6426 -8.9011 -8.9011 -8.8623 -8.8623 -8.8055 -8.8055 -8.6406 -8.6406 -8.6111 -8.6111 -8.5447 -8.5447 -8.2866 -8.2866 -8.2444 -8.2444 -8.1702 -8.1702 -8.0672 -8.0672 0.9920 0.9920 1.8757 1.8757 1.9398 1.9398 4.9321 4.9321 4.9937 4.9937 5.0129 5.0129 6.7958 6.7958 7.6259 7.6259 7.6427 7.6427 9.2078 9.2088 k = 0.1250 0.1250 0.1250 ( 5416 PWs) bands (ev): -25.0497 -25.0497 -24.9821 -24.9821 -24.9821 -24.9821 -9.6663 -9.6663 -8.9082 -8.9082 -8.8607 -8.8607 -8.8002 -8.8002 -8.6440 -8.6440 -8.6098 -8.6098 -8.5442 -8.5442 -8.2817 -8.2817 -8.2308 -8.2308 -8.1696 -8.1696 -8.0507 -8.0507 0.9790 0.9790 1.8554 1.8554 1.9273 1.9273 4.9106 4.9106 4.9746 4.9746 4.9941 4.9941 6.8714 6.8714 7.6827 7.6827 7.7018 7.7018 9.2362 9.2376 k = 0.1346 0.1346 0.1346 ( 5404 PWs) bands (ev): -25.0485 -25.0485 -24.9826 -24.9826 -24.9826 -24.9826 -9.6907 -9.6907 -8.9157 -8.9157 -8.8592 -8.8592 -8.7945 -8.7945 -8.6475 -8.6475 -8.6082 -8.6082 -8.5435 -8.5435 -8.2772 -8.2772 -8.2170 -8.2170 -8.1689 -8.1689 -8.0333 -8.0333 0.9657 0.9657 1.8350 1.8350 1.9146 1.9146 4.8892 4.8892 4.9545 4.9545 4.9741 4.9741 6.9492 6.9492 7.7431 7.7431 7.7645 7.7645 9.2654 9.2662 k = 0.1442 0.1442 0.1442 ( 5410 PWs) bands (ev): -25.0473 -25.0473 -24.9832 -24.9832 -24.9832 -24.9832 -9.7156 -9.7156 -8.9234 -8.9234 -8.8579 -8.8579 -8.7885 -8.7885 -8.6512 -8.6512 -8.6063 -8.6063 -8.5426 -8.5426 -8.2729 -8.2729 -8.2034 -8.2034 -8.1682 -8.1682 -8.0151 -8.0151 0.9523 0.9523 1.8147 1.8147 1.9017 1.9017 4.8677 4.8677 4.9332 4.9332 4.9530 4.9530 7.0289 7.0289 7.8066 7.8066 7.8304 7.8304 9.2947 9.2949 k = 0.1538 0.1538 0.1538 ( 5404 PWs) bands (ev): -25.0459 -25.0459 -24.9838 -24.9838 -24.9838 -24.9838 -9.7409 -9.7409 -8.9310 -8.9310 -8.8569 -8.8569 -8.7822 -8.7822 -8.6550 -8.6550 -8.6040 -8.6040 -8.5414 -8.5414 -8.2686 -8.2686 -8.1902 -8.1902 -8.1674 -8.1674 -7.9962 -7.9962 0.9390 0.9390 1.7948 1.7948 1.8887 1.8887 4.8463 4.8463 4.9109 4.9109 4.9309 4.9309 7.1102 7.1102 7.8731 7.8731 7.8993 7.8993 9.3235 9.3239 k = 0.1635 0.1635 0.1635 ( 5392 PWs) bands (ev): -25.0446 -25.0446 -24.9844 -24.9844 -24.9844 -24.9844 -9.7664 -9.7664 -8.9385 -8.9385 -8.8562 -8.8562 -8.7758 -8.7758 -8.6590 -8.6590 -8.6014 -8.6014 -8.5399 -8.5399 -8.2644 -8.2644 -8.1777 -8.1777 -8.1664 -8.1664 -7.9766 -7.9766 0.9258 0.9258 1.7753 1.7753 1.8758 1.8758 4.8250 4.8250 4.8876 4.8876 4.9077 4.9077 7.1926 7.1926 7.9424 7.9424 7.9708 7.9708 9.3517 9.3525 k = 0.1731 0.1731 0.1731 ( 5404 PWs) bands (ev): -25.0431 -25.0431 -24.9851 -24.9851 -24.9851 -24.9851 -9.7920 -9.7920 -8.9457 -8.9457 -8.8558 -8.8558 -8.7693 -8.7693 -8.6631 -8.6631 -8.5983 -8.5983 -8.5381 -8.5381 -8.2601 -8.2601 -8.1661 -8.1661 -8.1654 -8.1654 -7.9564 -7.9564 0.9129 0.9129 1.7565 1.7565 1.8630 1.8630 4.8036 4.8036 4.8635 4.8635 4.8837 4.8837 7.2758 7.2758 8.0141 8.0141 8.0448 8.0448 9.3779 9.3779 k = 0.1827 0.1827 0.1827 ( 5416 PWs) bands (ev): -25.0417 -25.0417 -24.9858 -24.9858 -24.9858 -24.9858 -9.8177 -9.8177 -8.9527 -8.9527 -8.8558 -8.8558 -8.7629 -8.7629 -8.6673 -8.6673 -8.5949 -8.5949 -8.5361 -8.5361 -8.2557 -8.2557 -8.1642 -8.1642 -8.1555 -8.1555 -7.9356 -7.9356 0.9004 0.9004 1.7386 1.7386 1.8504 1.8504 4.7823 4.7823 4.8386 4.8386 4.8588 4.8588 7.3596 7.3596 8.0880 8.0880 8.1207 8.1207 9.4025 9.4028 k = 0.1923 0.1923 0.1923 ( 5410 PWs) bands (ev): -25.0402 -25.0402 -24.9865 -24.9865 -24.9865 -24.9865 -9.8434 -9.8434 -8.9592 -8.9592 -8.8561 -8.8561 -8.7565 -8.7565 -8.6715 -8.6715 -8.5910 -8.5910 -8.5339 -8.5339 -8.2513 -8.2513 -8.1629 -8.1629 -8.1461 -8.1461 -7.9144 -7.9144 0.8884 0.8884 1.7217 1.7217 1.8381 1.8381 4.7610 4.7610 4.8129 4.8129 4.8332 4.8332 7.4437 7.4437 8.1635 8.1635 8.1982 8.1982 9.4248 9.4252 k = 0.2019 0.2019 0.2019 ( 5410 PWs) bands (ev): -25.0386 -25.0386 -24.9872 -24.9872 -24.9872 -24.9872 -9.8689 -9.8689 -8.9652 -8.9652 -8.8569 -8.8569 -8.7504 -8.7504 -8.6756 -8.6756 -8.5867 -8.5867 -8.5314 -8.5314 -8.2468 -8.2468 -8.1615 -8.1615 -8.1378 -8.1378 -7.8928 -7.8928 0.8771 0.8771 1.7058 1.7058 1.8263 1.8263 4.7397 4.7397 4.7867 4.7867 4.8070 4.8070 7.5276 7.5276 8.2404 8.2404 8.2769 8.2769 9.4442 9.4442 k = 0.2115 0.2115 0.2115 ( 5410 PWs) bands (ev): -25.0370 -25.0370 -24.9879 -24.9879 -24.9879 -24.9879 -9.8942 -9.8942 -8.9707 -8.9707 -8.8580 -8.8580 -8.7446 -8.7446 -8.6795 -8.6795 -8.5821 -8.5821 -8.5287 -8.5287 -8.2422 -8.2422 -8.1599 -8.1599 -8.1307 -8.1307 -7.8709 -7.8709 0.8665 0.8665 1.6912 1.6912 1.8149 1.8149 4.7182 4.7182 4.7598 4.7598 4.7801 4.7801 7.6112 7.6112 8.3181 8.3181 8.3561 8.3561 9.4602 9.4603 k = 0.2212 0.2212 0.2212 ( 5422 PWs) bands (ev): -25.0354 -25.0354 -24.9887 -24.9887 -24.9887 -24.9887 -9.9192 -9.9192 -8.9755 -8.9755 -8.8595 -8.8595 -8.7395 -8.7395 -8.6828 -8.6828 -8.5771 -8.5771 -8.5259 -8.5259 -8.2376 -8.2376 -8.1582 -8.1582 -8.1249 -8.1249 -7.8488 -7.8488 0.8568 0.8568 1.6778 1.6778 1.8040 1.8040 4.6966 4.6966 4.7326 4.7326 4.7528 4.7528 7.6939 7.6939 8.3960 8.3960 8.4351 8.4351 9.4729 9.4729 k = 0.2308 0.2308 0.2308 ( 5419 PWs) bands (ev): -25.0338 -25.0338 -24.9894 -24.9894 -24.9894 -24.9894 -9.9439 -9.9439 -8.9798 -8.9798 -8.8614 -8.8614 -8.7354 -8.7354 -8.6853 -8.6853 -8.5718 -8.5718 -8.5229 -8.5229 -8.2328 -8.2328 -8.1564 -8.1564 -8.1203 -8.1203 -7.8267 -7.8267 0.8479 0.8479 1.6658 1.6658 1.7937 1.7937 4.6748 4.6748 4.7049 4.7049 4.7250 4.7250 7.7756 7.7756 8.4732 8.4732 8.5130 8.5130 9.4824 9.4824 k = 0.2404 0.2404 0.2404 ( 5419 PWs) bands (ev): -25.0322 -25.0322 -24.9901 -24.9901 -24.9901 -24.9901 -9.9682 -9.9682 -8.9834 -8.9834 -8.8636 -8.8636 -8.7328 -8.7328 -8.6865 -8.6865 -8.5662 -8.5662 -8.5198 -8.5198 -8.2280 -8.2280 -8.1544 -8.1544 -8.1170 -8.1170 -7.8046 -7.8046 0.8400 0.8400 1.6552 1.6552 1.7840 1.7840 4.6528 4.6528 4.6771 4.6771 4.6969 4.6969 7.8557 7.8557 8.5485 8.5485 8.5885 8.5885 9.4893 9.4893 k = 0.2500 0.2500 0.2500 ( 5395 PWs) bands (ev): -25.0305 -25.0305 -24.9909 -24.9909 -24.9909 -24.9909 -9.9921 -9.9921 -8.9863 -8.9863 -8.8661 -8.8661 -8.7319 -8.7319 -8.6860 -8.6860 -8.5603 -8.5603 -8.5166 -8.5166 -8.2232 -8.2232 -8.1523 -8.1523 -8.1148 -8.1148 -7.7826 -7.7826 0.8332 0.8332 1.6460 1.6460 1.7750 1.7750 4.6305 4.6305 4.6492 4.6492 4.6686 4.6686 7.9339 7.9339 8.6206 8.6206 8.6598 8.6598 9.4950 9.4950 k = 0.2596 0.2596 0.2596 ( 5416 PWs) bands (ev): -25.0289 -25.0289 -24.9916 -24.9916 -24.9916 -24.9916 -10.0154 -10.0154 -8.9886 -8.9886 -8.8689 -8.8689 -8.7328 -8.7328 -8.6838 -8.6838 -8.5543 -8.5543 -8.5133 -8.5133 -8.2185 -8.2185 -8.1501 -8.1501 -8.1137 -8.1137 -7.7609 -7.7609 0.8273 0.8273 1.6383 1.6383 1.7667 1.7667 4.6077 4.6077 4.6214 4.6214 4.6402 4.6402 8.0095 8.0095 8.6874 8.6874 8.7249 8.7249 9.5016 9.5016 k = 0.2692 0.2692 0.2692 ( 5410 PWs) bands (ev): -25.0272 -25.0272 -24.9924 -24.9924 -24.9924 -24.9924 -10.0382 -10.0382 -8.9901 -8.9901 -8.8720 -8.8720 -8.7352 -8.7352 -8.6803 -8.6803 -8.5482 -8.5482 -8.5099 -8.5099 -8.2139 -8.2139 -8.1477 -8.1477 -8.1137 -8.1137 -7.7395 -7.7395 0.8224 0.8224 1.6321 1.6321 1.7591 1.7591 4.5840 4.5840 4.5942 4.5942 4.6117 4.6117 8.0821 8.0821 8.7464 8.7464 8.7808 8.7808 9.5118 9.5118 k = 0.2788 0.2788 0.2788 ( 5416 PWs) bands (ev): -25.0256 -25.0256 -24.9931 -24.9931 -24.9931 -24.9931 -10.0604 -10.0604 -8.9910 -8.9910 -8.8753 -8.8753 -8.7385 -8.7385 -8.6760 -8.6760 -8.5419 -8.5419 -8.5065 -8.5065 -8.2094 -8.2094 -8.1453 -8.1453 -8.1146 -8.1146 -7.7184 -7.7184 0.8186 0.8186 1.6273 1.6273 1.7522 1.7522 4.5589 4.5589 4.5684 4.5684 4.5833 4.5833 8.1510 8.1510 8.7946 8.7946 8.8248 8.8248 9.5290 9.5290 k = 0.2885 0.2885 0.2885 ( 5416 PWs) bands (ev): -25.0240 -25.0240 -24.9938 -24.9938 -24.9938 -24.9938 -10.0819 -10.0819 -8.9912 -8.9912 -8.8787 -8.8787 -8.7424 -8.7424 -8.6711 -8.6711 -8.5357 -8.5357 -8.5031 -8.5031 -8.2052 -8.2052 -8.1427 -8.1427 -8.1163 -8.1163 -7.6978 -7.6978 0.8158 0.8158 1.6240 1.6240 1.7460 1.7460 4.5324 4.5324 4.5439 4.5439 4.5551 4.5551 8.2155 8.2155 8.8295 8.8295 8.8546 8.8546 9.5566 9.5566 k = 0.2981 0.2981 0.2981 ( 5415 PWs) bands (ev): -25.0224 -25.0224 -24.9946 -24.9946 -24.9946 -24.9946 -10.1028 -10.1028 -8.9907 -8.9907 -8.8823 -8.8823 -8.7467 -8.7467 -8.6660 -8.6660 -8.5294 -8.5294 -8.4997 -8.4997 -8.2015 -8.2015 -8.1400 -8.1400 -8.1186 -8.1186 -7.6777 -7.6777 0.8139 0.8139 1.6222 1.6222 1.7405 1.7405 4.5053 4.5053 4.5201 4.5201 4.5271 4.5271 8.2749 8.2749 8.8495 8.8495 8.8693 8.8693 9.5964 9.5964 k = 0.3077 0.3077 0.3077 ( 5406 PWs) bands (ev): -25.0209 -25.0209 -24.9953 -24.9953 -24.9953 -24.9953 -10.1229 -10.1229 -8.9896 -8.9896 -8.8860 -8.8860 -8.7510 -8.7510 -8.6607 -8.6607 -8.5231 -8.5231 -8.4963 -8.4963 -8.1985 -8.1985 -8.1373 -8.1373 -8.1212 -8.1212 -7.6581 -7.6581 0.8129 0.8129 1.6217 1.6217 1.7357 1.7357 4.4782 4.4782 4.4965 4.4965 4.4995 4.4995 8.3282 8.3282 8.8549 8.8549 8.8698 8.8698 9.5668 9.5668 k = 0.3173 0.3173 0.3173 ( 5415 PWs) bands (ev): -25.0193 -25.0193 -24.9959 -24.9959 -24.9959 -24.9959 -10.1422 -10.1422 -8.9880 -8.9880 -8.8898 -8.8898 -8.7554 -8.7554 -8.6555 -8.6555 -8.5170 -8.5170 -8.4930 -8.4930 -8.1964 -8.1964 -8.1344 -8.1344 -8.1238 -8.1238 -7.6392 -7.6392 0.8128 0.8128 1.6225 1.6225 1.7316 1.7316 4.4514 4.4514 4.4723 4.4723 4.4730 4.4730 8.3749 8.3749 8.8475 8.8475 8.8584 8.8584 9.5263 9.5263 k = 0.3269 0.3269 0.3269 ( 5427 PWs) bands (ev): -25.0179 -25.0179 -24.9966 -24.9966 -24.9966 -24.9966 -10.1608 -10.1608 -8.9858 -8.9858 -8.8936 -8.8936 -8.7596 -8.7596 -8.6504 -8.6504 -8.5111 -8.5111 -8.4898 -8.4898 -8.1957 -8.1957 -8.1316 -8.1316 -8.1260 -8.1260 -7.6210 -7.6210 0.8135 0.8135 1.6246 1.6246 1.7282 1.7282 4.4252 4.4252 4.4457 4.4457 4.4495 4.4495 8.4140 8.4140 8.8300 8.8300 8.8378 8.8378 9.4936 9.4936 k = 0.3365 0.3365 0.3365 ( 5427 PWs) bands (ev): -25.0164 -25.0164 -24.9973 -24.9973 -24.9973 -24.9973 -10.1785 -10.1785 -8.9831 -8.9831 -8.8974 -8.8974 -8.7637 -8.7637 -8.6455 -8.6455 -8.5052 -8.5052 -8.4866 -8.4866 -8.1965 -8.1965 -8.1286 -8.1286 -8.1274 -8.1274 -7.6035 -7.6035 0.8149 0.8149 1.6278 1.6278 1.7253 1.7253 4.3995 4.3995 4.4197 4.4197 4.4261 4.4261 8.4453 8.4453 8.8051 8.8051 8.8105 8.8105 9.4691 9.4691 k = 0.3462 0.3462 0.3462 ( 5415 PWs) bands (ev): -25.0150 -25.0150 -24.9979 -24.9979 -24.9979 -24.9979 -10.1954 -10.1954 -8.9800 -8.9800 -8.9011 -8.9011 -8.7675 -8.7675 -8.6407 -8.6407 -8.4996 -8.4996 -8.4834 -8.4834 -8.1992 -8.1992 -8.1277 -8.1277 -8.1257 -8.1257 -7.5868 -7.5868 0.8169 0.8169 1.6321 1.6321 1.7230 1.7230 4.3746 4.3746 4.3945 4.3945 4.4029 4.4029 8.4685 8.4685 8.7752 8.7752 8.7789 8.7789 9.4525 9.4525 k = 0.3558 0.3558 0.3558 ( 5415 PWs) bands (ev): -25.0137 -25.0137 -24.9985 -24.9985 -24.9985 -24.9985 -10.2114 -10.2114 -8.9766 -8.9766 -8.9048 -8.9048 -8.7710 -8.7710 -8.6362 -8.6362 -8.4942 -8.4942 -8.4804 -8.4804 -8.2037 -8.2037 -8.1270 -8.1270 -8.1228 -8.1228 -7.5709 -7.5709 0.8194 0.8194 1.6374 1.6374 1.7213 1.7213 4.3505 4.3505 4.3702 4.3702 4.3799 4.3799 8.4838 8.4838 8.7421 8.7421 8.7444 8.7444 9.4435 9.4435 k = 0.3654 0.3654 0.3654 ( 5415 PWs) bands (ev): -25.0124 -25.0124 -24.9991 -24.9991 -24.9991 -24.9991 -10.2265 -10.2265 -8.9729 -8.9729 -8.9084 -8.9084 -8.7742 -8.7742 -8.6318 -8.6318 -8.4891 -8.4891 -8.4775 -8.4775 -8.2097 -8.2097 -8.1254 -8.1254 -8.1198 -8.1198 -7.5559 -7.5559 0.8223 0.8223 1.6435 1.6435 1.7201 1.7201 4.3274 4.3274 4.3469 4.3469 4.3574 4.3574 8.4920 8.4920 8.7073 8.7073 8.7086 8.7086 9.4413 9.4413 k = 0.3750 0.3750 0.3750 ( 5412 PWs) bands (ev): -25.0112 -25.0112 -24.9996 -24.9996 -24.9996 -24.9996 -10.2406 -10.2406 -8.9690 -8.9690 -8.9119 -8.9119 -8.7769 -8.7769 -8.6278 -8.6278 -8.4843 -8.4843 -8.4746 -8.4746 -8.2170 -8.2170 -8.1230 -8.1230 -8.1170 -8.1170 -7.5417 -7.5417 0.8256 0.8256 1.6502 1.6502 1.7192 1.7192 4.3053 4.3053 4.3246 4.3246 4.3354 4.3354 8.4940 8.4940 8.6720 8.6720 8.6724 8.6724 9.4446 9.4446 k = 0.3846 0.3846 0.3846 ( 5436 PWs) bands (ev): -25.0101 -25.0101 -25.0001 -25.0001 -25.0001 -25.0001 -10.2538 -10.2538 -8.9651 -8.9651 -8.9152 -8.9152 -8.7793 -8.7793 -8.6240 -8.6240 -8.4798 -8.4798 -8.4719 -8.4719 -8.2252 -8.2252 -8.1202 -8.1202 -8.1142 -8.1142 -7.5285 -7.5285 0.8290 0.8290 1.6575 1.6575 1.7188 1.7188 4.2843 4.2843 4.3035 4.3035 4.3140 4.3140 8.4911 8.4911 8.6367 8.6367 8.6371 8.6371 9.4522 9.4522 k = 0.3942 0.3942 0.3942 ( 5442 PWs) bands (ev): -25.0091 -25.0091 -25.0006 -25.0006 -25.0006 -25.0006 -10.2661 -10.2661 -8.9611 -8.9611 -8.9184 -8.9184 -8.7812 -8.7812 -8.6205 -8.6205 -8.4756 -8.4756 -8.4694 -8.4694 -8.2339 -8.2339 -8.1172 -8.1172 -8.1116 -8.1116 -7.5163 -7.5163 0.8327 0.8327 1.6651 1.6651 1.7187 1.7187 4.2646 4.2646 4.2836 4.2836 4.2935 4.2935 8.4845 8.4845 8.6021 8.6021 8.6031 8.6031 9.4628 9.4628 k = 0.4038 0.4038 0.4038 ( 5445 PWs) bands (ev): -25.0081 -25.0081 -25.0011 -25.0011 -25.0011 -25.0011 -10.2773 -10.2773 -8.9572 -8.9572 -8.9213 -8.9213 -8.7827 -8.7827 -8.6172 -8.6172 -8.4717 -8.4717 -8.4669 -8.4669 -8.2430 -8.2430 -8.1140 -8.1140 -8.1090 -8.1090 -7.5050 -7.5050 0.8363 0.8363 1.6729 1.6729 1.7188 1.7188 4.2461 4.2461 4.2652 4.2652 4.2741 4.2741 8.4754 8.4754 8.5692 8.5692 8.5708 8.5708 9.4752 9.4752 k = 0.4135 0.4135 0.4135 ( 5445 PWs) bands (ev): -25.0072 -25.0072 -25.0015 -25.0015 -25.0015 -25.0015 -10.2875 -10.2875 -8.9535 -8.9535 -8.9241 -8.9241 -8.7837 -8.7837 -8.6143 -8.6143 -8.4682 -8.4682 -8.4646 -8.4646 -8.2521 -8.2521 -8.1109 -8.1109 -8.1066 -8.1066 -7.4947 -7.4947 0.8399 0.8399 1.6807 1.6807 1.7191 1.7191 4.2290 4.2290 4.2481 4.2481 4.2559 4.2559 8.4648 8.4648 8.5384 8.5384 8.5405 8.5405 9.4883 9.4883 k = 0.4231 0.4231 0.4231 ( 5445 PWs) bands (ev): -25.0064 -25.0064 -25.0018 -25.0018 -25.0018 -25.0018 -10.2966 -10.2966 -8.9501 -8.9501 -8.9266 -8.9266 -8.7843 -8.7843 -8.6117 -8.6117 -8.4651 -8.4651 -8.4625 -8.4625 -8.2610 -8.2610 -8.1080 -8.1080 -8.1044 -8.1044 -7.4854 -7.4854 0.8434 0.8434 1.6884 1.6884 1.7196 1.7196 4.2134 4.2134 4.2327 4.2327 4.2391 4.2391 8.4536 8.4536 8.5101 8.5101 8.5126 8.5126 9.5014 9.5014 k = 0.4327 0.4327 0.4327 ( 5451 PWs) bands (ev): -25.0057 -25.0057 -25.0022 -25.0022 -25.0021 -25.0021 -10.3047 -10.3047 -8.9470 -8.9470 -8.9288 -8.9288 -8.7846 -8.7846 -8.6093 -8.6093 -8.4623 -8.4623 -8.4605 -8.4605 -8.2696 -8.2696 -8.1052 -8.1052 -8.1024 -8.1024 -7.4772 -7.4772 0.8467 0.8467 1.6956 1.6956 1.7202 1.7202 4.1992 4.1992 4.2188 4.2188 4.2239 4.2239 8.4423 8.4423 8.4845 8.4845 8.4874 8.4874 9.5139 9.5139 k = 0.4423 0.4423 0.4423 ( 5445 PWs) bands (ev): -25.0050 -25.0050 -25.0024 -25.0024 -25.0024 -25.0024 -10.3118 -10.3118 -8.9441 -8.9441 -8.9308 -8.9308 -8.7845 -8.7845 -8.6073 -8.6073 -8.4598 -8.4598 -8.4587 -8.4587 -8.2775 -8.2775 -8.1027 -8.1027 -8.1006 -8.1006 -7.4700 -7.4700 0.8496 0.8496 1.7023 1.7023 1.7208 1.7208 4.1867 4.1867 4.2066 4.2066 4.2105 4.2105 8.4318 8.4318 8.4619 8.4619 8.4652 8.4652 9.5253 9.5253 k = 0.4519 0.4519 0.4519 ( 5460 PWs) bands (ev): -25.0045 -25.0045 -25.0027 -25.0027 -25.0027 -25.0027 -10.3178 -10.3178 -8.9418 -8.9418 -8.9325 -8.9325 -8.7843 -8.7843 -8.6056 -8.6056 -8.4578 -8.4578 -8.4571 -8.4571 -8.2847 -8.2847 -8.1006 -8.1006 -8.0991 -8.0991 -7.4640 -7.4640 0.8523 0.8523 1.7083 1.7083 1.7214 1.7214 4.1759 4.1759 4.1962 4.1962 4.1989 4.1989 8.4222 8.4222 8.4425 8.4425 8.4461 8.4461 9.5353 9.5353 k = 0.4615 0.4615 0.4615 ( 5460 PWs) bands (ev): -25.0040 -25.0040 -25.0029 -25.0029 -25.0029 -25.0029 -10.3227 -10.3227 -8.9398 -8.9398 -8.9338 -8.9338 -8.7839 -8.7839 -8.6042 -8.6042 -8.4561 -8.4561 -8.4557 -8.4557 -8.2908 -8.2908 -8.0988 -8.0988 -8.0978 -8.0978 -7.4590 -7.4590 0.8545 0.8545 1.7134 1.7134 1.7219 1.7219 4.1668 4.1668 4.1876 4.1876 4.1893 4.1893 8.4139 8.4139 8.4264 8.4264 8.4304 8.4304 9.5437 9.5437 k = 0.4712 0.4712 0.4712 ( 5460 PWs) bands (ev): -25.0037 -25.0037 -25.0030 -25.0030 -25.0030 -25.0030 -10.3265 -10.3265 -8.9383 -8.9383 -8.9349 -8.9349 -8.7835 -8.7835 -8.6031 -8.6031 -8.4548 -8.4548 -8.4546 -8.4546 -8.2958 -8.2958 -8.0973 -8.0973 -8.0968 -8.0968 -7.4551 -7.4551 0.8563 0.8563 1.7175 1.7175 1.7224 1.7224 4.1596 4.1596 4.1808 4.1808 4.1818 4.1818 8.4071 8.4071 8.4138 8.4138 8.4181 8.4181 9.5503 9.5503 k = 0.4808 0.4808 0.4808 ( 5460 PWs) bands (ev): -25.0034 -25.0034 -25.0032 -25.0032 -25.0032 -25.0032 -10.3293 -10.3293 -8.9372 -8.9372 -8.9357 -8.9357 -8.7831 -8.7831 -8.6023 -8.6023 -8.4538 -8.4538 -8.4537 -8.4537 -8.2995 -8.2995 -8.0963 -8.0963 -8.0960 -8.0960 -7.4523 -7.4523 0.8576 0.8576 1.7206 1.7206 1.7227 1.7227 4.1544 4.1544 4.1760 4.1760 4.1764 4.1764 8.4020 8.4020 8.4047 8.4047 8.4095 8.4095 9.5551 9.5551 k = 0.4904 0.4904 0.4904 ( 5448 PWs) bands (ev): -25.0033 -25.0033 -25.0032 -25.0032 -25.0032 -25.0032 -10.3309 -10.3309 -8.9366 -8.9366 -8.9362 -8.9362 -8.7828 -8.7828 -8.6018 -8.6018 -8.4532 -8.4532 -8.4532 -8.4532 -8.3017 -8.3017 -8.0956 -8.0956 -8.0956 -8.0956 -7.4506 -7.4506 0.8583 0.8583 1.7224 1.7224 1.7230 1.7230 4.1513 4.1513 4.1731 4.1731 4.1732 4.1732 8.3986 8.3986 8.3993 8.3993 8.4045 8.4045 9.5579 9.5579 k = 0.5000 0.5000 0.5000 ( 5400 PWs) bands (ev): -25.0032 -25.0032 -25.0032 -25.0032 -25.0032 -25.0032 -10.3315 -10.3315 -8.9363 -8.9363 -8.9363 -8.9363 -8.7827 -8.7827 -8.6016 -8.6016 -8.4530 -8.4530 -8.4530 -8.4530 -8.3025 -8.3025 -8.0954 -8.0954 -8.0954 -8.0954 -7.4500 -7.4500 0.8586 0.8586 1.7230 1.7230 1.7230 1.7230 4.1502 4.1502 4.1721 4.1721 4.1721 4.1721 8.3974 8.3974 8.3974 8.3974 8.4029 8.4029 9.5589 9.5589 k = 0.5000 0.5000 0.5000 ( 5400 PWs) bands (ev): -25.0032 -25.0032 -25.0032 -25.0032 -25.0032 -25.0032 -10.3315 -10.3315 -8.9363 -8.9363 -8.9363 -8.9363 -8.7827 -8.7827 -8.6016 -8.6016 -8.4530 -8.4530 -8.4530 -8.4530 -8.3025 -8.3025 -8.0954 -8.0954 -8.0954 -8.0954 -7.4500 -7.4500 0.8586 0.8586 1.7230 1.7230 1.7230 1.7230 4.1502 4.1502 4.1721 4.1721 4.1721 4.1721 8.3974 8.3974 8.3974 8.3974 8.4029 8.4029 9.5589 9.5589 k = 0.4884 0.5000 0.4884 ( 5442 PWs) bands (ev): -25.0033 -25.0033 -25.0032 -25.0032 -25.0032 -25.0032 -10.3309 -10.3309 -8.9366 -8.9366 -8.9362 -8.9362 -8.7828 -8.7828 -8.6018 -8.6018 -8.4533 -8.4533 -8.4531 -8.4531 -8.3018 -8.3018 -8.0957 -8.0957 -8.0955 -8.0955 -7.4506 -7.4506 0.8584 0.8584 1.7224 1.7224 1.7230 1.7230 4.1512 4.1512 4.1729 4.1729 4.1733 4.1733 8.3985 8.3985 8.3993 8.3993 8.4045 8.4045 9.5580 9.5580 k = 0.4767 0.5000 0.4767 ( 5446 PWs) bands (ev): -25.0034 -25.0034 -25.0032 -25.0032 -25.0031 -25.0031 -10.3293 -10.3293 -8.9373 -8.9373 -8.9357 -8.9357 -8.7831 -8.7831 -8.6022 -8.6022 -8.4540 -8.4540 -8.4535 -8.4535 -8.2996 -8.2996 -8.0965 -8.0965 -8.0957 -8.0957 -7.4522 -7.4522 0.8576 0.8576 1.7205 1.7205 1.7229 1.7229 4.1543 4.1543 4.1753 4.1753 4.1770 4.1770 8.4013 8.4013 8.4046 8.4046 8.4098 8.4098 9.5551 9.5551 k = 0.4651 0.5000 0.4651 ( 5450 PWs) bands (ev): -25.0036 -25.0036 -25.0032 -25.0032 -25.0029 -25.0029 -10.3267 -10.3267 -8.9384 -8.9384 -8.9348 -8.9348 -8.7835 -8.7835 -8.6030 -8.6030 -8.4551 -8.4551 -8.4541 -8.4541 -8.2960 -8.2960 -8.0979 -8.0979 -8.0961 -8.0961 -7.4549 -7.4549 0.8563 0.8563 1.7174 1.7174 1.7227 1.7227 4.1591 4.1591 4.1794 4.1794 4.1830 4.1830 8.4055 8.4055 8.4129 8.4129 8.4197 8.4197 9.5504 9.5504 k = 0.4535 0.5000 0.4535 ( 5450 PWs) bands (ev): -25.0038 -25.0038 -25.0033 -25.0033 -25.0027 -25.0027 -10.3229 -10.3229 -8.9401 -8.9401 -8.9336 -8.9336 -8.7839 -8.7839 -8.6041 -8.6041 -8.4567 -8.4567 -8.4549 -8.4549 -8.2911 -8.2911 -8.0998 -8.0998 -8.0966 -8.0966 -7.4587 -7.4587 0.8546 0.8546 1.7131 1.7131 1.7224 1.7224 4.1655 4.1655 4.1855 4.1855 4.1915 4.1915 8.4110 8.4110 8.4241 8.4241 8.4339 8.4339 9.5437 9.5437 k = 0.4419 0.5000 0.4419 ( 5458 PWs) bands (ev): -25.0042 -25.0042 -25.0033 -25.0033 -25.0024 -25.0024 -10.3182 -10.3182 -8.9422 -8.9422 -8.9321 -8.9321 -8.7842 -8.7842 -8.6055 -8.6055 -8.4587 -8.4587 -8.4559 -8.4559 -8.2851 -8.2851 -8.1022 -8.1022 -8.0973 -8.0973 -7.4635 -7.4635 0.8524 0.8524 1.7078 1.7078 1.7222 1.7222 4.1729 4.1729 4.1936 4.1936 4.2024 4.2024 8.4180 8.4180 8.4383 8.4383 8.4521 8.4521 9.5351 9.5351 k = 0.4302 0.5000 0.4302 ( 5450 PWs) bands (ev): -25.0046 -25.0046 -25.0033 -25.0033 -25.0021 -25.0021 -10.3124 -10.3124 -8.9447 -8.9447 -8.9303 -8.9303 -8.7844 -8.7844 -8.6072 -8.6072 -8.4611 -8.4611 -8.4571 -8.4571 -8.2780 -8.2780 -8.1050 -8.1050 -8.0982 -8.0982 -7.4693 -7.4693 0.8497 0.8497 1.7014 1.7014 1.7220 1.7220 4.1811 4.1811 4.2042 4.2042 4.2157 4.2157 8.4264 8.4264 8.4556 8.4556 8.4737 8.4737 9.5245 9.5245 k = 0.4186 0.5000 0.4186 ( 5446 PWs) bands (ev): -25.0050 -25.0050 -25.0033 -25.0033 -25.0016 -25.0016 -10.3056 -10.3056 -8.9477 -8.9477 -8.9281 -8.9281 -8.7844 -8.7844 -8.6092 -8.6092 -8.4638 -8.4638 -8.4584 -8.4584 -8.2702 -8.2702 -8.1083 -8.1083 -8.0992 -8.0992 -7.4761 -7.4761 0.8467 0.8467 1.6942 1.6942 1.7219 1.7219 4.1896 4.1896 4.2171 4.2171 4.2313 4.2313 8.4364 8.4364 8.4759 8.4759 8.4984 8.4984 9.5121 9.5121 k = 0.4070 0.5000 0.4070 ( 5440 PWs) bands (ev): -25.0055 -25.0055 -25.0033 -25.0033 -25.0012 -25.0012 -10.2977 -10.2977 -8.9512 -8.9512 -8.9257 -8.9257 -8.7840 -8.7840 -8.6115 -8.6115 -8.4670 -8.4670 -8.4599 -8.4599 -8.2617 -8.2617 -8.1119 -8.1119 -8.1003 -8.1003 -7.4839 -7.4839 0.8434 0.8434 1.6863 1.6863 1.7219 1.7219 4.1986 4.1986 4.2323 4.2323 4.2491 4.2491 8.4478 8.4478 8.4993 8.4993 8.5255 8.5255 9.4979 9.4979 k = 0.3953 0.5000 0.3953 ( 5436 PWs) bands (ev): -25.0061 -25.0061 -25.0033 -25.0033 -25.0006 -25.0006 -10.2889 -10.2889 -8.9550 -8.9550 -8.9230 -8.9230 -8.7833 -8.7833 -8.6141 -8.6141 -8.4705 -8.4705 -8.4616 -8.4616 -8.2528 -8.2528 -8.1159 -8.1159 -8.1016 -8.1016 -7.4925 -7.4925 0.8398 0.8398 1.6777 1.6777 1.7222 1.7222 4.2080 4.2080 4.2496 4.2496 4.2690 4.2690 8.4606 8.4606 8.5257 8.5257 8.5544 8.5544 9.4822 9.4822 k = 0.3837 0.5000 0.3837 ( 5440 PWs) bands (ev): -25.0068 -25.0068 -25.0033 -25.0033 -25.0000 -25.0000 -10.2792 -10.2792 -8.9591 -8.9591 -8.9201 -8.9201 -8.7821 -8.7821 -8.6170 -8.6170 -8.4743 -8.4743 -8.4634 -8.4634 -8.2437 -8.2437 -8.1202 -8.1202 -8.1030 -8.1030 -7.5020 -7.5020 0.8360 0.8360 1.6687 1.6687 1.7227 1.7227 4.2177 4.2177 4.2688 4.2688 4.2908 4.2908 8.4750 8.4750 8.5551 8.5551 8.5840 8.5840 9.4655 9.4655 k = 0.3721 0.5000 0.3721 ( 5440 PWs) bands (ev): -25.0075 -25.0075 -25.0033 -25.0033 -24.9994 -24.9994 -10.2686 -10.2686 -8.9635 -8.9635 -8.9170 -8.9170 -8.7805 -8.7805 -8.6202 -8.6202 -8.4785 -8.4785 -8.4653 -8.4653 -8.2345 -8.2345 -8.1246 -8.1246 -8.1046 -8.1046 -7.5123 -7.5123 0.8320 0.8320 1.6594 1.6594 1.7236 1.7236 4.2277 4.2277 4.2896 4.2896 4.3143 4.3143 8.4908 8.4908 8.5874 8.5874 8.6134 8.6134 9.4484 9.4484 k = 0.3605 0.5000 0.3605 ( 5422 PWs) bands (ev): -25.0083 -25.0083 -25.0033 -25.0033 -24.9987 -24.9987 -10.2570 -10.2570 -8.9680 -8.9680 -8.9136 -8.9136 -8.7783 -8.7783 -8.6237 -8.6237 -8.4829 -8.4829 -8.4674 -8.4674 -8.2255 -8.2255 -8.1290 -8.1290 -8.1062 -8.1062 -7.5233 -7.5233 0.8279 0.8279 1.6499 1.6499 1.7249 1.7249 4.2379 4.2379 4.3120 4.3120 4.3394 4.3394 8.5080 8.5080 8.6226 8.6226 8.6413 8.6413 9.4319 9.4319 k = 0.3488 0.5000 0.3488 ( 5428 PWs) bands (ev): -25.0091 -25.0091 -25.0034 -25.0034 -24.9980 -24.9980 -10.2446 -10.2446 -8.9726 -8.9726 -8.9101 -8.9101 -8.7757 -8.7757 -8.6275 -8.6275 -8.4877 -8.4877 -8.4696 -8.4696 -8.2170 -8.2170 -8.1334 -8.1334 -8.1079 -8.1079 -7.5350 -7.5350 0.8238 0.8238 1.6403 1.6403 1.7266 1.7266 4.2484 4.2484 4.3359 4.3359 4.3660 4.3660 8.5266 8.5266 8.6598 8.6598 8.6667 8.6667 9.4172 9.4172 k = 0.3372 0.5000 0.3372 ( 5428 PWs) bands (ev): -25.0099 -25.0099 -25.0034 -25.0034 -24.9972 -24.9972 -10.2314 -10.2314 -8.9771 -8.9771 -8.9065 -8.9065 -8.7727 -8.7727 -8.6316 -8.6316 -8.4927 -8.4927 -8.4719 -8.4719 -8.2093 -8.2093 -8.1374 -8.1374 -8.1097 -8.1097 -7.5473 -7.5473 0.8197 0.8197 1.6309 1.6309 1.7288 1.7288 4.2588 4.2588 4.3610 4.3610 4.3937 4.3937 8.5466 8.5466 8.6844 8.6844 8.7025 8.7025 9.4059 9.4059 k = 0.3256 0.5000 0.3256 ( 5428 PWs) bands (ev): -25.0108 -25.0108 -25.0034 -25.0034 -24.9964 -24.9964 -10.2175 -10.2175 -8.9816 -8.9816 -8.9027 -8.9027 -8.7692 -8.7692 -8.6359 -8.6359 -8.4980 -8.4980 -8.4743 -8.4743 -8.2029 -8.2029 -8.1408 -8.1408 -8.1114 -8.1114 -7.5601 -7.5601 0.8156 0.8156 1.6217 1.6217 1.7315 1.7315 4.2692 4.2692 4.3873 4.3873 4.4224 4.4224 8.5678 8.5678 8.6971 8.6971 8.7461 8.7461 9.3997 9.3997 k = 0.3140 0.5000 0.3140 ( 5428 PWs) bands (ev): -25.0117 -25.0117 -25.0034 -25.0034 -24.9956 -24.9956 -10.2028 -10.2028 -8.9860 -8.9860 -8.8988 -8.8988 -8.7654 -8.7654 -8.6405 -8.6405 -8.5035 -8.5035 -8.4769 -8.4769 -8.1984 -8.1984 -8.1431 -8.1431 -8.1128 -8.1128 -7.5733 -7.5733 0.8117 0.8117 1.6129 1.6129 1.7348 1.7348 4.2795 4.2795 4.4147 4.4147 4.4519 4.4519 8.5901 8.5901 8.7011 8.7011 8.7925 8.7925 9.4001 9.4001 k = 0.3023 0.5000 0.3023 ( 5434 PWs) bands (ev): -25.0127 -25.0127 -25.0035 -25.0035 -24.9948 -24.9948 -10.1875 -10.1875 -8.9901 -8.9901 -8.8949 -8.8949 -8.7612 -8.7612 -8.6454 -8.6454 -8.5093 -8.5093 -8.4796 -8.4796 -8.1962 -8.1962 -8.1443 -8.1443 -8.1138 -8.1138 -7.5869 -7.5869 0.8079 0.8079 1.6046 1.6046 1.7387 1.7387 4.2896 4.2896 4.4428 4.4428 4.4820 4.4820 8.6129 8.6129 8.6958 8.6958 8.8416 8.8416 9.4081 9.4081 k = 0.2907 0.5000 0.2907 ( 5440 PWs) bands (ev): -25.0137 -25.0137 -25.0035 -25.0035 -24.9939 -24.9939 -10.1715 -10.1715 -8.9939 -8.9939 -8.8909 -8.8909 -8.7568 -8.7568 -8.6504 -8.6504 -8.5152 -8.5152 -8.4824 -8.4824 -8.1964 -8.1964 -8.1446 -8.1446 -8.1140 -8.1140 -7.6007 -7.6007 0.8043 0.8043 1.5969 1.5969 1.7432 1.7432 4.2994 4.2994 4.4718 4.4718 4.5126 4.5126 8.6329 8.6329 8.6842 8.6842 8.8934 8.8934 9.4238 9.4238 k = 0.2791 0.5000 0.2791 ( 5428 PWs) bands (ev): -25.0146 -25.0146 -25.0035 -25.0035 -24.9930 -24.9930 -10.1550 -10.1550 -8.9973 -8.9973 -8.8869 -8.8869 -8.7521 -8.7521 -8.6556 -8.6556 -8.5212 -8.5212 -8.4853 -8.4853 -8.1987 -8.1987 -8.1447 -8.1447 -8.1129 -8.1129 -7.6147 -7.6147 0.8009 0.8009 1.5898 1.5898 1.7483 1.7483 4.3088 4.3088 4.5013 4.5013 4.5434 4.5434 8.6331 8.6331 8.6839 8.6839 8.9477 8.9477 9.4462 9.4462 k = 0.2674 0.5000 0.2674 ( 5428 PWs) bands (ev): -25.0156 -25.0156 -25.0035 -25.0035 -24.9921 -24.9921 -10.1380 -10.1380 -9.0003 -9.0003 -8.8830 -8.8830 -8.7474 -8.7474 -8.6609 -8.6609 -8.5274 -8.5274 -8.4884 -8.4884 -8.2026 -8.2026 -8.1454 -8.1454 -8.1105 -8.1105 -7.6288 -7.6288 0.7977 0.7977 1.5836 1.5836 1.7541 1.7541 4.3177 4.3177 4.5312 4.5312 4.5742 4.5742 8.6042 8.6042 8.7052 8.7052 9.0044 9.0044 9.3747 9.3747 k = 0.2558 0.5000 0.2558 ( 5420 PWs) bands (ev): -25.0167 -25.0167 -25.0036 -25.0036 -24.9912 -24.9912 -10.1206 -10.1206 -9.0029 -9.0029 -8.8790 -8.8790 -8.7425 -8.7425 -8.6663 -8.6663 -8.5337 -8.5337 -8.4916 -8.4916 -8.2075 -8.2075 -8.1469 -8.1469 -8.1070 -8.1070 -7.6429 -7.6429 0.7947 0.7947 1.5782 1.5782 1.7606 1.7606 4.3261 4.3261 4.5614 4.5614 4.6049 4.6049 8.5628 8.5628 8.7329 8.7329 9.0634 9.0634 9.2772 9.2772 k = 0.2442 0.5000 0.2442 ( 5420 PWs) bands (ev): -25.0177 -25.0177 -25.0036 -25.0036 -24.9903 -24.9903 -10.1028 -10.1028 -9.0050 -9.0050 -8.8752 -8.8752 -8.7378 -8.7378 -8.6715 -8.6715 -8.5400 -8.5400 -8.4949 -8.4949 -8.2131 -8.2131 -8.1492 -8.1492 -8.1027 -8.1027 -7.6569 -7.6569 0.7919 0.7919 1.5737 1.5737 1.7676 1.7676 4.3339 4.3339 4.5916 4.5916 4.6352 4.6352 8.5143 8.5143 8.7628 8.7628 9.1247 9.1247 9.1827 9.1827 k = 0.2326 0.5000 0.2326 ( 5428 PWs) bands (ev): -25.0187 -25.0187 -25.0036 -25.0036 -24.9894 -24.9894 -10.0848 -10.0848 -9.0066 -9.0066 -8.8715 -8.8715 -8.7334 -8.7334 -8.6766 -8.6766 -8.5463 -8.5463 -8.4984 -8.4984 -8.2191 -8.2191 -8.1522 -8.1522 -8.0980 -8.0980 -7.6706 -7.6706 0.7894 0.7894 1.5702 1.5702 1.7754 1.7754 4.3411 4.3411 4.6219 4.6219 4.6651 4.6651 8.4608 8.4608 8.7939 8.7939 9.0915 9.0915 9.1882 9.1882 k = 0.2209 0.5000 0.2209 ( 5422 PWs) bands (ev): -25.0197 -25.0197 -25.0037 -25.0037 -24.9885 -24.9885 -10.0666 -10.0666 -9.0077 -9.0077 -8.8680 -8.8680 -8.7294 -8.7294 -8.6813 -8.6813 -8.5526 -8.5526 -8.5019 -8.5019 -8.2254 -8.2254 -8.1556 -8.1556 -8.0933 -8.0933 -7.6841 -7.6841 0.7870 0.7870 1.5676 1.5676 1.7837 1.7837 4.3477 4.3477 4.6519 4.6519 4.6944 4.6944 8.4038 8.4038 8.8253 8.8253 9.0047 9.0047 9.2537 9.2537 k = 0.2093 0.5000 0.2093 ( 5426 PWs) bands (ev): -25.0207 -25.0207 -25.0037 -25.0037 -24.9876 -24.9876 -10.0483 -10.0483 -9.0083 -9.0083 -8.8646 -8.8646 -8.7264 -8.7264 -8.6851 -8.6851 -8.5588 -8.5588 -8.5056 -8.5056 -8.2319 -8.2319 -8.1592 -8.1592 -8.0887 -8.0887 -7.6973 -7.6973 0.7848 0.7848 1.5659 1.5659 1.7926 1.7926 4.3535 4.3535 4.6815 4.6815 4.7229 4.7229 8.3442 8.3442 8.8523 8.8523 8.9267 8.9267 9.3210 9.3210 k = 0.1977 0.5000 0.1977 ( 5426 PWs) bands (ev): -25.0216 -25.0216 -25.0037 -25.0037 -24.9867 -24.9867 -10.0300 -10.0300 -9.0084 -9.0084 -8.8615 -8.8615 -8.7247 -8.7247 -8.6876 -8.6876 -8.5648 -8.5648 -8.5094 -8.5094 -8.2386 -8.2386 -8.1631 -8.1631 -8.0844 -8.0844 -7.7099 -7.7099 0.7827 0.7827 1.5652 1.5652 1.8020 1.8020 4.3586 4.3586 4.7106 4.7106 4.7505 4.7505 8.2831 8.2831 8.8251 8.8251 8.9073 8.9073 9.3902 9.3902 k = 0.1860 0.5000 0.1860 ( 5422 PWs) bands (ev): -25.0226 -25.0226 -25.0037 -25.0037 -24.9858 -24.9858 -10.0118 -10.0118 -9.0081 -9.0081 -8.8585 -8.8585 -8.7249 -8.7249 -8.6884 -8.6884 -8.5707 -8.5707 -8.5133 -8.5133 -8.2454 -8.2454 -8.1670 -8.1670 -8.0804 -8.0804 -7.7221 -7.7221 0.7808 0.7808 1.5653 1.5653 1.8120 1.8120 4.3630 4.3630 4.7390 4.7390 4.7770 4.7770 8.2213 8.2213 8.7534 8.7534 8.9366 8.9366 9.4608 9.4608 k = 0.1744 0.5000 0.1744 ( 5422 PWs) bands (ev): -25.0235 -25.0235 -25.0038 -25.0038 -24.9850 -24.9850 -9.9938 -9.9938 -9.0073 -9.0073 -8.8559 -8.8559 -8.7269 -8.7269 -8.6875 -8.6875 -8.5763 -8.5763 -8.5173 -8.5173 -8.2522 -8.2522 -8.1709 -8.1709 -8.0768 -8.0768 -7.7336 -7.7336 0.7789 0.7789 1.5662 1.5662 1.8223 1.8223 4.3667 4.3667 4.7665 4.7665 4.8024 4.8024 8.1595 8.1595 8.6813 8.6813 8.9703 8.9703 9.5329 9.5329 k = 0.1628 0.5000 0.1628 ( 5422 PWs) bands (ev): -25.0244 -25.0244 -25.0038 -25.0038 -24.9842 -24.9842 -9.9761 -9.9761 -9.0061 -9.0061 -8.8536 -8.8536 -8.7302 -8.7302 -8.6853 -8.6853 -8.5816 -8.5816 -8.5214 -8.5214 -8.2590 -8.2590 -8.1748 -8.1748 -8.0735 -8.0735 -7.7446 -7.7446 0.7771 0.7771 1.5678 1.5678 1.8331 1.8331 4.3696 4.3696 4.7930 4.7930 4.8265 4.8265 8.0983 8.0983 8.6126 8.6126 9.0044 9.0044 9.6061 9.6061 k = 0.1512 0.5000 0.1512 ( 5418 PWs) bands (ev): -25.0252 -25.0252 -25.0038 -25.0038 -24.9835 -24.9835 -9.9588 -9.9588 -9.0044 -9.0044 -8.8516 -8.8516 -8.7343 -8.7343 -8.6825 -8.6825 -8.5865 -8.5865 -8.5257 -8.5257 -8.2657 -8.2657 -8.1785 -8.1785 -8.0706 -8.0706 -7.7548 -7.7548 0.7754 0.7754 1.5701 1.5701 1.8441 1.8441 4.3718 4.3718 4.8184 4.8184 4.8493 4.8493 8.0385 8.0385 8.5477 8.5477 9.0380 9.0380 9.6802 9.6802 k = 0.1395 0.5000 0.1395 ( 5414 PWs) bands (ev): -25.0260 -25.0260 -25.0038 -25.0038 -24.9827 -24.9827 -9.9421 -9.9421 -9.0025 -9.0025 -8.8500 -8.8500 -8.7388 -8.7388 -8.6795 -8.6795 -8.5909 -8.5909 -8.5300 -8.5300 -8.2723 -8.2723 -8.1822 -8.1822 -8.0680 -8.0680 -7.7644 -7.7644 0.7738 0.7738 1.5729 1.5729 1.8552 1.8552 4.3734 4.3734 4.8425 4.8425 4.8706 4.8706 7.9806 7.9806 8.4871 8.4871 9.0705 9.0705 9.7548 9.7548 k = 0.1279 0.5000 0.1279 ( 5418 PWs) bands (ev): -25.0268 -25.0268 -25.0038 -25.0038 -24.9820 -24.9820 -9.9260 -9.9260 -9.0003 -9.0003 -8.8487 -8.8487 -8.7433 -8.7433 -8.6766 -8.6766 -8.5947 -8.5947 -8.5344 -8.5344 -8.2788 -8.2788 -8.1856 -8.1856 -8.0658 -8.0658 -7.7732 -7.7732 0.7723 0.7723 1.5760 1.5760 1.8664 1.8664 4.3744 4.3744 4.8652 4.8652 4.8905 4.8905 7.9252 7.9252 8.4309 8.4309 9.1012 9.1012 9.8295 9.8295 k = 0.1163 0.5000 0.1163 ( 5406 PWs) bands (ev): -25.0275 -25.0275 -25.0039 -25.0039 -24.9814 -24.9814 -9.9108 -9.9108 -8.9978 -8.9978 -8.8477 -8.8477 -8.7478 -8.7478 -8.6740 -8.6740 -8.5977 -8.5977 -8.5388 -8.5388 -8.2850 -8.2850 -8.1887 -8.1887 -8.0639 -8.0639 -7.7812 -7.7812 0.7708 0.7708 1.5793 1.5793 1.8774 1.8774 4.3748 4.3748 4.8863 4.8863 4.9088 4.9088 7.8728 7.8728 8.3791 8.3791 9.1297 9.1297 9.8991 9.8992 k = 0.1047 0.5000 0.1047 ( 5410 PWs) bands (ev): -25.0281 -25.0281 -25.0039 -25.0039 -24.9808 -24.9808 -9.8965 -9.8965 -8.9952 -8.9952 -8.8470 -8.8470 -8.7522 -8.7522 -8.6718 -8.6718 -8.6000 -8.6000 -8.5433 -8.5433 -8.2909 -8.2909 -8.1916 -8.1916 -8.0622 -8.0622 -7.7885 -7.7885 0.7693 0.7693 1.5828 1.5828 1.8882 1.8882 4.3748 4.3748 4.9057 4.9057 4.9256 4.9256 7.8238 7.8238 8.3320 8.3320 9.1553 9.1553 9.9227 9.9227 k = 0.0930 0.5000 0.0930 ( 5394 PWs) bands (ev): -25.0287 -25.0287 -25.0039 -25.0039 -24.9802 -24.9802 -9.8832 -9.8832 -8.9926 -8.9926 -8.8466 -8.8466 -8.7562 -8.7562 -8.6702 -8.6702 -8.6013 -8.6013 -8.5479 -8.5479 -8.2964 -8.2964 -8.1943 -8.1943 -8.0609 -8.0609 -7.7949 -7.7949 0.7680 0.7680 1.5863 1.5863 1.8986 1.8986 4.3744 4.3744 4.9233 4.9233 4.9408 4.9408 7.7787 7.7787 8.2896 8.2896 9.1776 9.1776 9.9399 9.9399 k = 0.0814 0.5000 0.0814 ( 5398 PWs) bands (ev): -25.0293 -25.0293 -25.0039 -25.0039 -24.9798 -24.9798 -9.8712 -9.8712 -8.9899 -8.9899 -8.8464 -8.8464 -8.7600 -8.7600 -8.6692 -8.6692 -8.6016 -8.6016 -8.5524 -8.5524 -8.3014 -8.3014 -8.1966 -8.1966 -8.0598 -8.0598 -7.8006 -7.8006 0.7668 0.7668 1.5897 1.5897 1.9083 1.9083 4.3737 4.3737 4.9390 4.9390 4.9543 4.9543 7.7380 7.7380 8.2520 8.2520 9.1966 9.1966 9.9546 9.9546 k = 0.0698 0.5000 0.0698 ( 5398 PWs) bands (ev): -25.0297 -25.0297 -25.0039 -25.0039 -24.9794 -24.9794 -9.8604 -9.8604 -8.9874 -8.9874 -8.8464 -8.8464 -8.7633 -8.7633 -8.6687 -8.6687 -8.6011 -8.6011 -8.5570 -8.5570 -8.3060 -8.3060 -8.1987 -8.1987 -8.0588 -8.0588 -7.8056 -7.8056 0.7657 0.7657 1.5929 1.5929 1.9172 1.9172 4.3728 4.3728 4.9526 4.9526 4.9662 4.9662 7.7019 7.7019 8.2192 8.2192 9.2122 9.2122 9.9670 9.9670 k = 0.0581 0.5000 0.0581 ( 5398 PWs) bands (ev): -25.0301 -25.0301 -25.0039 -25.0039 -24.9790 -24.9790 -9.8511 -9.8511 -8.9851 -8.9851 -8.8466 -8.8466 -8.7663 -8.7663 -8.6685 -8.6685 -8.5997 -8.5997 -8.5616 -8.5616 -8.3099 -8.3099 -8.2004 -8.2004 -8.0581 -8.0581 -7.8097 -7.8097 0.7647 0.7647 1.5957 1.5957 1.9250 1.9250 4.3719 4.3719 4.9641 4.9641 4.9764 4.9764 7.6708 7.6708 8.1914 8.1914 9.2245 9.2245 9.9771 9.9771 k = 0.0465 0.5000 0.0465 ( 5408 PWs) bands (ev): -25.0304 -25.0304 -25.0039 -25.0039 -24.9787 -24.9787 -9.8434 -9.8434 -8.9830 -8.9830 -8.8468 -8.8468 -8.7687 -8.7687 -8.6687 -8.6687 -8.5976 -8.5976 -8.5661 -8.5661 -8.3132 -8.3132 -8.2018 -8.2018 -8.0575 -8.0575 -7.8131 -7.8131 0.7639 0.7639 1.5981 1.5981 1.9318 1.9318 4.3709 4.3709 4.9735 4.9735 4.9850 4.9850 7.6450 7.6450 8.1685 8.1685 9.2338 9.2338 9.9852 9.9852 k = 0.0349 0.5000 0.0349 ( 5404 PWs) bands (ev): -25.0307 -25.0307 -25.0039 -25.0039 -24.9785 -24.9785 -9.8372 -9.8372 -8.9813 -8.9813 -8.8471 -8.8471 -8.7707 -8.7707 -8.6690 -8.6690 -8.5950 -8.5950 -8.5705 -8.5705 -8.3158 -8.3158 -8.2029 -8.2029 -8.0571 -8.0571 -7.8158 -7.8158 0.7632 0.7632 1.6001 1.6001 1.9372 1.9372 4.3701 4.3701 4.9807 4.9807 4.9917 4.9917 7.6247 7.6247 8.1507 8.1507 9.2405 9.2405 9.9914 9.9914 k = 0.0233 0.5000 0.0233 ( 5408 PWs) bands (ev): -25.0309 -25.0309 -25.0039 -25.0039 -24.9783 -24.9783 -9.8328 -9.8328 -8.9801 -8.9801 -8.8473 -8.8473 -8.7722 -8.7722 -8.6693 -8.6693 -8.5920 -8.5920 -8.5747 -8.5747 -8.3177 -8.3177 -8.2037 -8.2037 -8.0568 -8.0568 -7.8176 -7.8176 0.7627 0.7627 1.6015 1.6015 1.9411 1.9411 4.3694 4.3694 4.9859 4.9859 4.9967 4.9967 7.6101 7.6101 8.1380 8.1380 9.2450 9.2450 9.9957 9.9957 k = 0.0116 0.5000 0.0116 ( 5406 PWs) bands (ev): -25.0310 -25.0310 -25.0039 -25.0039 -24.9782 -24.9782 -9.8301 -9.8301 -8.9793 -8.9793 -8.8474 -8.8474 -8.7731 -8.7731 -8.6695 -8.6695 -8.5890 -8.5890 -8.5784 -8.5784 -8.3189 -8.3189 -8.2042 -8.2042 -8.0567 -8.0567 -7.8188 -7.8188 0.7624 0.7624 1.6024 1.6024 1.9436 1.9436 4.3690 4.3690 4.9889 4.9889 4.9996 4.9996 7.6012 7.6012 8.1303 8.1303 9.2476 9.2476 9.9983 9.9983 k = 0.0000 0.5000-0.0000 ( 5406 PWs) bands (ev): -25.0310 -25.0310 -25.0039 -25.0039 -24.9782 -24.9782 -9.8292 -9.8292 -8.9790 -8.9790 -8.8474 -8.8474 -8.7734 -8.7734 -8.6695 -8.6695 -8.5872 -8.5872 -8.5804 -8.5804 -8.3193 -8.3193 -8.2043 -8.2043 -8.0566 -8.0566 -7.8191 -7.8191 0.7623 0.7623 1.6027 1.6027 1.9444 1.9444 4.3689 4.3689 4.9899 4.9899 5.0006 5.0006 7.5983 7.5983 8.1278 8.1278 9.2484 9.2484 9.9991 9.9991 k = 0.5000 0.5000-0.0000 ( 5440 PWs) bands (ev): -25.0044 -25.0044 -25.0036 -25.0036 -25.0036 -25.0036 -10.1005 -10.1005 -9.0674 -9.0674 -8.8090 -8.8090 -8.7159 -8.7159 -8.6690 -8.6690 -8.6046 -8.6046 -8.4683 -8.4683 -8.2941 -8.2941 -8.1322 -8.1322 -8.0581 -8.0581 -7.6152 -7.6152 0.7481 0.7481 1.4833 1.4833 1.7701 1.7701 4.3790 4.3790 4.3795 4.3795 4.9197 4.9197 8.3638 8.3638 8.6571 8.6571 9.8215 9.8215 9.8305 9.8305 k = 0.5000 0.5000 0.0167 ( 5424 PWs) bands (ev): -25.0044 -25.0044 -25.0036 -25.0036 -25.0036 -25.0036 -10.1013 -10.1013 -9.0670 -9.0670 -8.8098 -8.8098 -8.7151 -8.7151 -8.6703 -8.6703 -8.6033 -8.6033 -8.4683 -8.4683 -8.2934 -8.2934 -8.1324 -8.1324 -8.0584 -8.0584 -7.6149 -7.6149 0.7484 0.7484 1.4839 1.4839 1.7699 1.7699 4.3784 4.3784 4.3790 4.3790 4.9173 4.9173 8.3643 8.3643 8.6600 8.6600 9.8036 9.8036 9.8179 9.8179 k = 0.5000 0.5000 0.0333 ( 5408 PWs) bands (ev): -25.0044 -25.0044 -25.0036 -25.0036 -25.0036 -25.0036 -10.1035 -10.1035 -9.0660 -9.0660 -8.8121 -8.8121 -8.7127 -8.7127 -8.6739 -8.6739 -8.5996 -8.5996 -8.4683 -8.4683 -8.2911 -8.2911 -8.1329 -8.1329 -8.0592 -8.0592 -7.6138 -7.6138 0.7494 0.7494 1.4857 1.4857 1.7693 1.7693 4.3768 4.3768 4.3774 4.3774 4.9102 4.9102 8.3659 8.3659 8.6687 8.6687 9.7579 9.7579 9.7827 9.7827 k = 0.5000 0.5000 0.0500 ( 5400 PWs) bands (ev): -25.0043 -25.0043 -25.0036 -25.0036 -25.0036 -25.0036 -10.1071 -10.1071 -9.0642 -9.0642 -8.8157 -8.8157 -8.7090 -8.7090 -8.6792 -8.6792 -8.5942 -8.5942 -8.4682 -8.4682 -8.2875 -8.2875 -8.1338 -8.1338 -8.0606 -8.0606 -7.6121 -7.6121 0.7510 0.7510 1.4887 1.4887 1.7682 1.7682 4.3740 4.3740 4.3747 4.3747 4.8986 4.8986 8.3684 8.3684 8.6832 8.6832 9.6968 9.6968 9.7309 9.7309 k = 0.5000 0.5000 0.0667 ( 5392 PWs) bands (ev): -25.0043 -25.0043 -25.0035 -25.0035 -25.0035 -25.0035 -10.1121 -10.1121 -9.0619 -9.0619 -8.8203 -8.8203 -8.7043 -8.7043 -8.6856 -8.6856 -8.5878 -8.5878 -8.4682 -8.4682 -8.2825 -8.2825 -8.1351 -8.1351 -8.0624 -8.0624 -7.6097 -7.6097 0.7533 0.7533 1.4928 1.4928 1.7667 1.7667 4.3702 4.3702 4.3710 4.3710 4.8825 4.8825 8.3718 8.3718 8.7033 8.7033 9.6280 9.6280 9.6684 9.6684 k = 0.5000 0.5000 0.0833 ( 5384 PWs) bands (ev): -25.0043 -25.0043 -25.0035 -25.0035 -25.0035 -25.0035 -10.1184 -10.1184 -9.0588 -9.0588 -8.8257 -8.8257 -8.6989 -8.6989 -8.6926 -8.6926 -8.5807 -8.5807 -8.4681 -8.4681 -8.2763 -8.2763 -8.1368 -8.1368 -8.0647 -8.0647 -7.6066 -7.6066 0.7561 0.7561 1.4981 1.4981 1.7649 1.7649 4.3653 4.3653 4.3664 4.3664 4.8623 4.8623 8.3758 8.3758 8.7288 8.7288 9.5555 9.5555 9.5993 9.5993 k = 0.5000 0.5000 0.1000 ( 5392 PWs) bands (ev): -25.0043 -25.0043 -25.0035 -25.0035 -25.0035 -25.0035 -10.1259 -10.1259 -9.0552 -9.0552 -8.8316 -8.8316 -8.7000 -8.7000 -8.6930 -8.6930 -8.5732 -8.5732 -8.4679 -8.4679 -8.2690 -8.2690 -8.1391 -8.1391 -8.0673 -8.0673 -7.6029 -7.6029 0.7595 0.7595 1.5044 1.5044 1.7627 1.7627 4.3595 4.3595 4.3608 4.3608 4.8383 4.8383 8.3803 8.3803 8.7595 8.7595 9.4813 9.4813 9.5265 9.5265 k = 0.5000 0.5000 0.1167 ( 5384 PWs) bands (ev): -25.0042 -25.0042 -25.0035 -25.0035 -25.0035 -25.0035 -10.1344 -10.1344 -9.0510 -9.0510 -8.8378 -8.8378 -8.7075 -8.7075 -8.6867 -8.6867 -8.5655 -8.5655 -8.4677 -8.4677 -8.2607 -8.2607 -8.1420 -8.1420 -8.0701 -8.0701 -7.5985 -7.5985 0.7635 0.7635 1.5117 1.5117 1.7603 1.7603 4.3526 4.3526 4.3542 4.3542 4.8109 4.8109 8.3851 8.3851 8.7951 8.7951 9.4066 9.4066 9.4518 9.4518 k = 0.5000 0.5000 0.1333 ( 5388 PWs) bands (ev): -25.0042 -25.0042 -25.0035 -25.0035 -25.0035 -25.0035 -10.1439 -10.1439 -9.0462 -9.0462 -8.8443 -8.8443 -8.7150 -8.7150 -8.6803 -8.6803 -8.5578 -8.5578 -8.4674 -8.4674 -8.2516 -8.2516 -8.1455 -8.1455 -8.0730 -8.0730 -7.5934 -7.5934 0.7678 0.7678 1.5200 1.5200 1.7577 1.7577 4.3449 4.3449 4.3469 4.3469 4.7803 4.7803 8.3900 8.3900 8.8352 8.8352 9.3323 9.3323 9.3765 9.3765 k = 0.5000 0.5000 0.1500 ( 5404 PWs) bands (ev): -25.0041 -25.0041 -25.0035 -25.0035 -25.0035 -25.0035 -10.1542 -10.1542 -9.0409 -9.0409 -8.8509 -8.8509 -8.7224 -8.7224 -8.6739 -8.6739 -8.5501 -8.5501 -8.4671 -8.4671 -8.2418 -8.2418 -8.1499 -8.1499 -8.0759 -8.0759 -7.5878 -7.5878 0.7726 0.7726 1.5292 1.5292 1.7548 1.7548 4.3364 4.3364 4.3388 4.3388 4.7472 4.7472 8.3948 8.3948 8.8793 8.8793 9.2591 9.2591 9.3016 9.3016 k = 0.5000 0.5000 0.1667 ( 5420 PWs) bands (ev): -25.0041 -25.0041 -25.0035 -25.0035 -25.0035 -25.0035 -10.1651 -10.1651 -9.0351 -9.0351 -8.8575 -8.8575 -8.7296 -8.7296 -8.6676 -8.6676 -8.5425 -8.5425 -8.4667 -8.4667 -8.2316 -8.2316 -8.1550 -8.1550 -8.0787 -8.0787 -7.5815 -7.5815 0.7778 0.7778 1.5392 1.5392 1.7519 1.7519 4.3272 4.3272 4.3300 4.3300 4.7119 4.7119 8.3993 8.3993 8.9269 8.9269 9.1874 9.1874 9.2277 9.2277 k = 0.5000 0.5000 0.1833 ( 5420 PWs) bands (ev): -25.0040 -25.0040 -25.0035 -25.0035 -25.0035 -25.0035 -10.1766 -10.1766 -9.0289 -9.0289 -8.8640 -8.8640 -8.7366 -8.7366 -8.6614 -8.6614 -8.5350 -8.5350 -8.4661 -8.4661 -8.2210 -8.2210 -8.1610 -8.1610 -8.0812 -8.0812 -7.5747 -7.5747 0.7832 0.7832 1.5499 1.5499 1.7490 1.7490 4.3173 4.3173 4.3206 4.3206 4.6749 4.6749 8.4033 8.4033 8.9770 8.9770 9.1179 9.1179 9.1552 9.1552 k = 0.5000 0.5000 0.2000 ( 5428 PWs) bands (ev): -25.0040 -25.0040 -25.0035 -25.0035 -25.0035 -25.0035 -10.1884 -10.1884 -9.0224 -9.0224 -8.8705 -8.8705 -8.7433 -8.7433 -8.6554 -8.6554 -8.5277 -8.5277 -8.4655 -8.4655 -8.2102 -8.2102 -8.1677 -8.1677 -8.0835 -8.0835 -7.5673 -7.5673 0.7888 0.7888 1.5612 1.5612 1.7460 1.7460 4.3068 4.3068 4.3107 4.3107 4.6367 4.6367 8.4068 8.4068 9.0241 9.0241 9.0557 9.0557 9.0847 9.0847 k = 0.5000 0.5000 0.2167 ( 5436 PWs) bands (ev): -25.0039 -25.0039 -25.0034 -25.0034 -25.0034 -25.0034 -10.2004 -10.2004 -9.0155 -9.0155 -8.8768 -8.8768 -8.7496 -8.7496 -8.6496 -8.6496 -8.5206 -8.5206 -8.4648 -8.4648 -8.1994 -8.1994 -8.1753 -8.1753 -8.0856 -8.0856 -7.5595 -7.5595 0.7946 0.7946 1.5730 1.5730 1.7431 1.7431 4.2959 4.2959 4.3004 4.3004 4.5976 4.5976 8.4096 8.4096 8.9815 8.9815 9.0165 9.0165 9.0871 9.0871 k = 0.5000 0.5000 0.2333 ( 5444 PWs) bands (ev): -25.0039 -25.0039 -25.0034 -25.0034 -25.0034 -25.0034 -10.2125 -10.2125 -9.0085 -9.0085 -8.8830 -8.8830 -8.7555 -8.7555 -8.6441 -8.6441 -8.5138 -8.5138 -8.4641 -8.4641 -8.1888 -8.1888 -8.1835 -8.1835 -8.0873 -8.0873 -7.5513 -7.5513 0.8005 0.8005 1.5851 1.5851 1.7403 1.7403 4.2846 4.2846 4.2898 4.2898 4.5582 4.5582 8.4118 8.4118 8.9194 8.9194 8.9509 8.9509 9.1409 9.1409 k = 0.5000 0.5000 0.2500 ( 5452 PWs) bands (ev): -25.0038 -25.0038 -25.0034 -25.0034 -25.0034 -25.0034 -10.2246 -10.2246 -9.0013 -9.0013 -8.8889 -8.8889 -8.7609 -8.7609 -8.6389 -8.6389 -8.5073 -8.5073 -8.4632 -8.4632 -8.1924 -8.1924 -8.1783 -8.1783 -8.0888 -8.0888 -7.5427 -7.5427 0.8063 0.8063 1.5975 1.5975 1.7377 1.7377 4.2731 4.2731 4.2790 4.2790 4.5190 4.5190 8.4133 8.4133 8.8596 8.8596 8.8881 8.8881 9.1947 9.1947 k = 0.5000 0.5000 0.2667 ( 5444 PWs) bands (ev): -25.0038 -25.0038 -25.0034 -25.0034 -25.0034 -25.0034 -10.2364 -10.2364 -8.9941 -8.9941 -8.8946 -8.8946 -8.7658 -8.7658 -8.6340 -8.6340 -8.5010 -8.5010 -8.4623 -8.4623 -8.2017 -8.2017 -8.1682 -8.1682 -8.0901 -8.0901 -7.5340 -7.5340 0.8121 0.8121 1.6101 1.6101 1.7353 1.7353 4.2614 4.2614 4.2682 4.2682 4.4802 4.4802 8.4141 8.4141 8.8028 8.8028 8.8284 8.8284 9.2470 9.2470 k = 0.5000 0.5000 0.2833 ( 5444 PWs) bands (ev): -25.0037 -25.0037 -25.0034 -25.0034 -25.0034 -25.0034 -10.2480 -10.2480 -8.9870 -8.9870 -8.9000 -8.9000 -8.7702 -8.7702 -8.6294 -8.6294 -8.4950 -8.4950 -8.4614 -8.4614 -8.2114 -8.2114 -8.1586 -8.1586 -8.0911 -8.0911 -7.5251 -7.5251 0.8178 0.8178 1.6226 1.6226 1.7331 1.7331 4.2498 4.2498 4.2574 4.2574 4.4423 4.4423 8.4143 8.4143 8.7490 8.7490 8.7719 8.7719 9.2967 9.2967 k = 0.5000 0.5000 0.3000 ( 5456 PWs) bands (ev): -25.0036 -25.0036 -25.0034 -25.0034 -25.0034 -25.0034 -10.2591 -10.2591 -8.9800 -8.9800 -8.9051 -8.9051 -8.7740 -8.7740 -8.6252 -8.6252 -8.4894 -8.4894 -8.4605 -8.4605 -8.2213 -8.2213 -8.1495 -8.1495 -8.0920 -8.0920 -7.5162 -7.5162 0.8232 0.8232 1.6350 1.6350 1.7311 1.7311 4.2383 4.2383 4.2467 4.2467 4.4058 4.4058 8.4139 8.4139 8.6987 8.6987 8.7190 8.7190 9.3427 9.3427 k = 0.5000 0.5000 0.3167 ( 5440 PWs) bands (ev): -25.0036 -25.0036 -25.0033 -25.0033 -25.0033 -25.0033 -10.2698 -10.2698 -8.9733 -8.9733 -8.9098 -8.9098 -8.7771 -8.7771 -8.6214 -8.6214 -8.4841 -8.4841 -8.4595 -8.4595 -8.2313 -8.2313 -8.1410 -8.1410 -8.0927 -8.0927 -7.5074 -7.5074 0.8285 0.8285 1.6471 1.6471 1.7294 1.7294 4.2270 4.2270 4.2364 4.2364 4.3708 4.3708 8.4131 8.4131 8.6518 8.6518 8.6697 8.6697 9.3843 9.3843 k = 0.5000 0.5000 0.3333 ( 5448 PWs) bands (ev): -25.0035 -25.0035 -25.0033 -25.0033 -25.0033 -25.0033 -10.2798 -10.2798 -8.9670 -8.9670 -8.9143 -8.9143 -8.7797 -8.7797 -8.6179 -8.6179 -8.4791 -8.4791 -8.4586 -8.4586 -8.2413 -8.2413 -8.1332 -8.1332 -8.0933 -8.0933 -7.4988 -7.4988 0.8334 0.8334 1.6587 1.6587 1.7279 1.7279 4.2161 4.2161 4.2265 4.2265 4.3379 4.3379 8.4118 8.4118 8.6086 8.6086 8.6242 8.6242 9.4210 9.4210 k = 0.5000 0.5000 0.3500 ( 5440 PWs) bands (ev): -25.0035 -25.0035 -25.0033 -25.0033 -25.0033 -25.0033 -10.2891 -10.2891 -8.9612 -8.9612 -8.9183 -8.9183 -8.7816 -8.7816 -8.6147 -8.6147 -8.4745 -8.4745 -8.4577 -8.4577 -8.2510 -8.2510 -8.1261 -8.1261 -8.0938 -8.0938 -7.4906 -7.4906 0.8380 0.8380 1.6697 1.6697 1.7267 1.7267 4.2057 4.2057 4.2171 4.2171 4.3072 4.3072 8.4103 8.4103 8.5692 8.5692 8.5826 8.5826 9.4526 9.4526 k = 0.5000 0.5000 0.3667 ( 5448 PWs) bands (ev): -25.0034 -25.0034 -25.0033 -25.0033 -25.0033 -25.0033 -10.2976 -10.2976 -8.9559 -8.9559 -8.9221 -8.9221 -8.7829 -8.7829 -8.6119 -8.6119 -8.4703 -8.4703 -8.4568 -8.4568 -8.2604 -8.2604 -8.1196 -8.1196 -8.0942 -8.0942 -7.4828 -7.4828 0.8421 0.8421 1.6801 1.6801 1.7257 1.7257 4.1959 4.1959 4.2083 4.2083 4.2791 4.2791 8.4086 8.4086 8.5336 8.5336 8.5451 8.5451 9.4791 9.4791 k = 0.5000 0.5000 0.3833 ( 5444 PWs) bands (ev): -25.0034 -25.0034 -25.0033 -25.0033 -25.0033 -25.0033 -10.3053 -10.3053 -8.9512 -8.9512 -8.9253 -8.9253 -8.7837 -8.7837 -8.6095 -8.6095 -8.4665 -8.4665 -8.4560 -8.4560 -8.2692 -8.2692 -8.1140 -8.1140 -8.0945 -8.0945 -7.4757 -7.4757 0.8459 0.8459 1.6895 1.6895 1.7249 1.7249 4.1868 4.1868 4.2003 4.2003 4.2538 4.2538 8.4068 8.4068 8.5021 8.5021 8.5118 8.5118 9.5008 9.5008 k = 0.5000 0.5000 0.4000 ( 5444 PWs) bands (ev): -25.0033 -25.0033 -25.0033 -25.0033 -25.0033 -25.0033 -10.3121 -10.3121 -8.9472 -8.9472 -8.9282 -8.9282 -8.7840 -8.7840 -8.6074 -8.6074 -8.4631 -8.4631 -8.4553 -8.4553 -8.2773 -8.2773 -8.1090 -8.1090 -8.0948 -8.0948 -7.4692 -7.4692 0.8492 0.8492 1.6980 1.6980 1.7243 1.7243 4.1785 4.1785 4.1931 4.1931 4.2317 4.2317 8.4051 8.4051 8.4745 8.4745 8.4827 8.4827 9.5182 9.5182 k = 0.5000 0.5000 0.4167 ( 5460 PWs) bands (ev): -25.0033 -25.0033 -25.0033 -25.0033 -25.0033 -25.0033 -10.3179 -10.3179 -8.9438 -8.9438 -8.9307 -8.9307 -8.7840 -8.7840 -8.6056 -8.6056 -8.4602 -8.4602 -8.4546 -8.4546 -8.2846 -8.2846 -8.1049 -8.1049 -8.0950 -8.0950 -7.4636 -7.4636 0.8521 0.8521 1.7055 1.7055 1.7238 1.7238 4.1710 4.1710 4.1869 4.1869 4.2129 4.2129 8.4034 8.4034 8.4511 8.4511 8.4579 8.4579 9.5319 9.5319 k = 0.5000 0.5000 0.4333 ( 5460 PWs) bands (ev): -25.0033 -25.0033 -25.0033 -25.0033 -25.0033 -25.0033 -10.3228 -10.3228 -8.9411 -8.9411 -8.9327 -8.9327 -8.7838 -8.7838 -8.6042 -8.6042 -8.4577 -8.4577 -8.4541 -8.4541 -8.2908 -8.2908 -8.1015 -8.1015 -8.0952 -8.0952 -7.4588 -7.4588 0.8544 0.8544 1.7117 1.7117 1.7235 1.7235 4.1644 4.1644 4.1816 4.1816 4.1976 4.1976 8.4019 8.4019 8.4318 8.4318 8.4376 8.4376 9.5423 9.5423 k = 0.5000 0.5000 0.4500 ( 5460 PWs) bands (ev): -25.0033 -25.0033 -25.0033 -25.0033 -25.0033 -25.0033 -10.3266 -10.3266 -8.9390 -8.9390 -8.9343 -8.9343 -8.7834 -8.7834 -8.6031 -8.6031 -8.4557 -8.4557 -8.4536 -8.4536 -8.2958 -8.2958 -8.0988 -8.0988 -8.0953 -8.0953 -7.4550 -7.4550 0.8562 0.8562 1.7166 1.7166 1.7233 1.7233 4.1587 4.1587 4.1775 4.1775 4.1860 4.1860 8.4006 8.4006 8.4168 8.4168 8.4219 8.4219 9.5498 9.5498 k = 0.5000 0.5000 0.4667 ( 5460 PWs) bands (ev): -25.0033 -25.0033 -25.0032 -25.0032 -25.0032 -25.0032 -10.3293 -10.3293 -8.9375 -8.9375 -8.9354 -8.9354 -8.7831 -8.7831 -8.6023 -8.6023 -8.4542 -8.4542 -8.4533 -8.4533 -8.2995 -8.2995 -8.0969 -8.0969 -8.0954 -8.0954 -7.4523 -7.4523 0.8576 0.8576 1.7201 1.7201 1.7231 1.7231 4.1542 4.1542 4.1745 4.1745 4.1781 4.1781 8.3994 8.3994 8.4060 8.4060 8.4108 8.4108 9.5550 9.5550 k = 0.5000 0.5000 0.4833 ( 5440 PWs) bands (ev): -25.0032 -25.0032 -25.0032 -25.0032 -25.0032 -25.0032 -10.3309 -10.3309 -8.9366 -8.9366 -8.9361 -8.9361 -8.7828 -8.7828 -8.6018 -8.6018 -8.4533 -8.4533 -8.4531 -8.4531 -8.3017 -8.3017 -8.0958 -8.0958 -8.0954 -8.0954 -7.4506 -7.4506 0.8583 0.8583 1.7223 1.7223 1.7231 1.7231 4.1513 4.1513 4.1727 4.1727 4.1736 4.1736 8.3982 8.3982 8.3996 8.3996 8.4046 8.4046 9.5579 9.5579 k = 0.5000 0.5000 0.5000 ( 5400 PWs) bands (ev): -25.0032 -25.0032 -25.0032 -25.0032 -25.0032 -25.0032 -10.3315 -10.3315 -8.9363 -8.9363 -8.9363 -8.9363 -8.7827 -8.7827 -8.6016 -8.6016 -8.4530 -8.4530 -8.4530 -8.4530 -8.3025 -8.3025 -8.0954 -8.0954 -8.0954 -8.0954 -7.4500 -7.4500 0.8586 0.8586 1.7230 1.7230 1.7230 1.7230 4.1502 4.1502 4.1721 4.1721 4.1721 4.1721 8.3974 8.3974 8.3974 8.3974 8.4029 8.4029 9.5589 9.5589 Writing output data file K3IO.save init_run : 0.39s CPU 0.50s WALL ( 1 calls) electrons : 154.96s CPU 157.04s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 154.95s CPU 157.04s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.09s CPU 0.13s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.05s WALL ( 234 calls) cegterg : 143.81s CPU 145.55s WALL ( 507 calls) Called by sum_band: Called by *egterg: h_psi : 78.98s CPU 80.15s WALL ( 8851 calls) s_psi : 5.00s CPU 4.99s WALL ( 8851 calls) g_psi : 0.26s CPU 0.24s WALL ( 8110 calls) cdiaghg : 52.54s CPU 53.26s WALL ( 8344 calls) cegterg:over : 5.46s CPU 5.35s WALL ( 8110 calls) cegterg:upda : 5.67s CPU 5.77s WALL ( 8110 calls) cegterg:last : 2.10s CPU 2.14s WALL ( 975 calls) cdiaghg:chol : 2.88s CPU 2.97s WALL ( 8344 calls) cdiaghg:inve : 1.88s CPU 1.96s WALL ( 8344 calls) cdiaghg:para : 3.16s CPU 3.01s WALL ( 16688 calls) Called by h_psi: h_psi:vloc : 68.32s CPU 69.09s WALL ( 8851 calls) h_psi:vnl : 10.48s CPU 10.83s WALL ( 8851 calls) add_vuspsi : 5.56s CPU 5.70s WALL ( 8851 calls) General routines calbec : 4.90s CPU 5.11s WALL ( 8851 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 63.77s CPU 64.70s WALL ( 613368 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.10s CPU 0.16s WALL ( 468 calls) Parallel routines fft_scatter : 21.17s CPU 22.08s WALL ( 613391 calls) PWSCF : 2m47.92s CPU 2m58.43s WALL This run was terminated on: 11:21:29 30Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=