Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:33:37 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Ca3SbN.save/ file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 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 59 34 9 2077 896 141 Max 60 35 10 2082 914 146 Sum 2145 1229 357 74893 32531 5185 bravais-lattice index = 14 lattice parameter (alat) = 9.1729 a.u. unit-cell volume = 771.8318 (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 = 46.0000 Ry charge density cutoff = 321.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.172919 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 Sb read from file: /users/gautes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 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. # 2 for Ca read from file: /users/gautes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1169 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 N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Sb 5.00 121.76000 Sb( 1.00) Ca 10.00 40.07800 Ca( 1.00) N 5.00 14.00670 N( 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= 254 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039370 k( 2) = ( 0.0000000 0.0151515 -0.0000000), wk = 0.0039370 k( 3) = ( 0.0000000 0.0303030 -0.0000000), wk = 0.0039370 k( 4) = ( 0.0000000 0.0454546 -0.0000000), wk = 0.0039370 k( 5) = ( 0.0000000 0.0606061 -0.0000000), wk = 0.0039370 k( 6) = ( 0.0000000 0.0757576 -0.0000000), wk = 0.0039370 k( 7) = ( 0.0000000 0.0909091 -0.0000000), wk = 0.0039370 k( 8) = ( 0.0000000 0.1060606 -0.0000000), wk = 0.0039370 k( 9) = ( 0.0000000 0.1212121 -0.0000000), wk = 0.0039370 k( 10) = ( 0.0000000 0.1363636 -0.0000000), wk = 0.0039370 k( 11) = ( 0.0000000 0.1515151 -0.0000000), wk = 0.0039370 k( 12) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0039370 k( 13) = ( 0.0000000 0.1818182 -0.0000000), wk = 0.0039370 k( 14) = ( 0.0000000 0.1969697 -0.0000000), wk = 0.0039370 k( 15) = ( 0.0000000 0.2121212 -0.0000000), wk = 0.0039370 k( 16) = ( 0.0000000 0.2272727 -0.0000000), wk = 0.0039370 k( 17) = ( 0.0000000 0.2424242 -0.0000000), wk = 0.0039370 k( 18) = ( 0.0000000 0.2575758 -0.0000000), wk = 0.0039370 k( 19) = ( 0.0000000 0.2727273 -0.0000000), wk = 0.0039370 k( 20) = ( 0.0000000 0.2878788 -0.0000000), wk = 0.0039370 k( 21) = ( 0.0000000 0.3030303 -0.0000000), wk = 0.0039370 k( 22) = ( 0.0000000 0.3181818 -0.0000000), wk = 0.0039370 k( 23) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0039370 k( 24) = ( 0.0000000 0.3484849 -0.0000000), wk = 0.0039370 k( 25) = ( 0.0000000 0.3636364 -0.0000000), wk = 0.0039370 k( 26) = ( 0.0000000 0.3787879 -0.0000000), wk = 0.0039370 k( 27) = ( 0.0000000 0.3939394 -0.0000000), wk = 0.0039370 k( 28) = ( 0.0000000 0.4090909 -0.0000000), wk = 0.0039370 k( 29) = ( 0.0000000 0.4242424 -0.0000000), wk = 0.0039370 k( 30) = ( 0.0000000 0.4393939 -0.0000000), wk = 0.0039370 k( 31) = ( 0.0000000 0.4545455 -0.0000000), wk = 0.0039370 k( 32) = ( 0.0000000 0.4696970 -0.0000000), wk = 0.0039370 k( 33) = ( 0.0000000 0.4848485 -0.0000000), wk = 0.0039370 k( 34) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0039370 k( 35) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0039370 k( 36) = ( 0.0151515 0.5000000 -0.0000000), wk = 0.0039370 k( 37) = ( 0.0303030 0.5000000 -0.0000000), wk = 0.0039370 k( 38) = ( 0.0454546 0.5000000 -0.0000000), wk = 0.0039370 k( 39) = ( 0.0606061 0.5000000 -0.0000000), wk = 0.0039370 k( 40) = ( 0.0757576 0.5000000 -0.0000000), wk = 0.0039370 k( 41) = ( 0.0909091 0.5000000 -0.0000000), wk = 0.0039370 k( 42) = ( 0.1060606 0.5000000 -0.0000000), wk = 0.0039370 k( 43) = ( 0.1212121 0.5000000 -0.0000000), wk = 0.0039370 k( 44) = ( 0.1363636 0.5000000 -0.0000000), wk = 0.0039370 k( 45) = ( 0.1515151 0.5000000 -0.0000000), wk = 0.0039370 k( 46) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0039370 k( 47) = ( 0.1818182 0.5000000 -0.0000000), wk = 0.0039370 k( 48) = ( 0.1969697 0.5000000 -0.0000000), wk = 0.0039370 k( 49) = ( 0.2121212 0.5000000 -0.0000000), wk = 0.0039370 k( 50) = ( 0.2272727 0.5000000 -0.0000000), wk = 0.0039370 k( 51) = ( 0.2424242 0.5000000 -0.0000000), wk = 0.0039370 k( 52) = ( 0.2575758 0.5000000 -0.0000000), wk = 0.0039370 k( 53) = ( 0.2727273 0.5000000 -0.0000000), wk = 0.0039370 k( 54) = ( 0.2878788 0.5000000 -0.0000000), wk = 0.0039370 k( 55) = ( 0.3030303 0.5000000 -0.0000000), wk = 0.0039370 k( 56) = ( 0.3181818 0.5000000 -0.0000000), wk = 0.0039370 k( 57) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0039370 k( 58) = ( 0.3484849 0.5000000 -0.0000000), wk = 0.0039370 k( 59) = ( 0.3636364 0.5000000 -0.0000000), wk = 0.0039370 k( 60) = ( 0.3787879 0.5000000 -0.0000000), wk = 0.0039370 k( 61) = ( 0.3939394 0.5000000 -0.0000000), wk = 0.0039370 k( 62) = ( 0.4090909 0.5000000 -0.0000000), wk = 0.0039370 k( 63) = ( 0.4242424 0.5000000 -0.0000000), wk = 0.0039370 k( 64) = ( 0.4393939 0.5000000 -0.0000000), wk = 0.0039370 k( 65) = ( 0.4545455 0.5000000 -0.0000000), wk = 0.0039370 k( 66) = ( 0.4696970 0.5000000 -0.0000000), wk = 0.0039370 k( 67) = ( 0.4848485 0.5000000 -0.0000000), wk = 0.0039370 k( 68) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0039370 k( 69) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0039370 k( 70) = ( 0.4891304 0.4891304 -0.0000000), wk = 0.0039370 k( 71) = ( 0.4782609 0.4782609 -0.0000000), wk = 0.0039370 k( 72) = ( 0.4673913 0.4673913 -0.0000000), wk = 0.0039370 k( 73) = ( 0.4565217 0.4565217 -0.0000000), wk = 0.0039370 k( 74) = ( 0.4456522 0.4456522 -0.0000000), wk = 0.0039370 k( 75) = ( 0.4347826 0.4347826 -0.0000000), wk = 0.0039370 k( 76) = ( 0.4239130 0.4239130 -0.0000000), wk = 0.0039370 k( 77) = ( 0.4130435 0.4130435 -0.0000000), wk = 0.0039370 k( 78) = ( 0.4021739 0.4021739 -0.0000000), wk = 0.0039370 k( 79) = ( 0.3913044 0.3913043 -0.0000000), wk = 0.0039370 k( 80) = ( 0.3804348 0.3804348 -0.0000000), wk = 0.0039370 k( 81) = ( 0.3695652 0.3695652 -0.0000000), wk = 0.0039370 k( 82) = ( 0.3586956 0.3586956 -0.0000000), wk = 0.0039370 k( 83) = ( 0.3478261 0.3478261 -0.0000000), wk = 0.0039370 k( 84) = ( 0.3369565 0.3369565 -0.0000000), wk = 0.0039370 k( 85) = ( 0.3260870 0.3260870 -0.0000000), wk = 0.0039370 k( 86) = ( 0.3152174 0.3152174 -0.0000000), wk = 0.0039370 k( 87) = ( 0.3043478 0.3043478 -0.0000000), wk = 0.0039370 k( 88) = ( 0.2934783 0.2934783 -0.0000000), wk = 0.0039370 k( 89) = ( 0.2826087 0.2826087 -0.0000000), wk = 0.0039370 k( 90) = ( 0.2717391 0.2717391 -0.0000000), wk = 0.0039370 k( 91) = ( 0.2608696 0.2608696 -0.0000000), wk = 0.0039370 k( 92) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0039370 k( 93) = ( 0.2391304 0.2391304 -0.0000000), wk = 0.0039370 k( 94) = ( 0.2282609 0.2282609 -0.0000000), wk = 0.0039370 k( 95) = ( 0.2173913 0.2173913 -0.0000000), wk = 0.0039370 k( 96) = ( 0.2065217 0.2065217 -0.0000000), wk = 0.0039370 k( 97) = ( 0.1956522 0.1956522 -0.0000000), wk = 0.0039370 k( 98) = ( 0.1847826 0.1847826 -0.0000000), wk = 0.0039370 k( 99) = ( 0.1739130 0.1739130 -0.0000000), wk = 0.0039370 k( 100) = ( 0.1630435 0.1630435 -0.0000000), wk = 0.0039370 k( 101) = ( 0.1521739 0.1521739 -0.0000000), wk = 0.0039370 k( 102) = ( 0.1413043 0.1413043 -0.0000000), wk = 0.0039370 k( 103) = ( 0.1304348 0.1304348 -0.0000000), wk = 0.0039370 k( 104) = ( 0.1195652 0.1195652 -0.0000000), wk = 0.0039370 k( 105) = ( 0.1086957 0.1086956 -0.0000000), wk = 0.0039370 k( 106) = ( 0.0978261 0.0978261 -0.0000000), wk = 0.0039370 k( 107) = ( 0.0869565 0.0869565 -0.0000000), wk = 0.0039370 k( 108) = ( 0.0760870 0.0760870 -0.0000000), wk = 0.0039370 k( 109) = ( 0.0652174 0.0652174 -0.0000000), wk = 0.0039370 k( 110) = ( 0.0543478 0.0543478 -0.0000000), wk = 0.0039370 k( 111) = ( 0.0434783 0.0434783 -0.0000000), wk = 0.0039370 k( 112) = ( 0.0326087 0.0326087 -0.0000000), wk = 0.0039370 k( 113) = ( 0.0217391 0.0217391 -0.0000000), wk = 0.0039370 k( 114) = ( 0.0108696 0.0108696 -0.0000000), wk = 0.0039370 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039370 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039370 k( 117) = ( 0.0087719 0.0087719 0.0087719), wk = 0.0039370 k( 118) = ( 0.0175439 0.0175439 0.0175439), wk = 0.0039370 k( 119) = ( 0.0263158 0.0263158 0.0263158), wk = 0.0039370 k( 120) = ( 0.0350877 0.0350877 0.0350877), wk = 0.0039370 k( 121) = ( 0.0438597 0.0438596 0.0438596), wk = 0.0039370 k( 122) = ( 0.0526316 0.0526316 0.0526316), wk = 0.0039370 k( 123) = ( 0.0614035 0.0614035 0.0614035), wk = 0.0039370 k( 124) = ( 0.0701754 0.0701754 0.0701754), wk = 0.0039370 k( 125) = ( 0.0789474 0.0789474 0.0789474), wk = 0.0039370 k( 126) = ( 0.0877193 0.0877193 0.0877193), wk = 0.0039370 k( 127) = ( 0.0964912 0.0964912 0.0964912), wk = 0.0039370 k( 128) = ( 0.1052632 0.1052632 0.1052632), wk = 0.0039370 k( 129) = ( 0.1140351 0.1140351 0.1140351), wk = 0.0039370 k( 130) = ( 0.1228070 0.1228070 0.1228070), wk = 0.0039370 k( 131) = ( 0.1315790 0.1315790 0.1315789), wk = 0.0039370 k( 132) = ( 0.1403509 0.1403509 0.1403509), wk = 0.0039370 k( 133) = ( 0.1491228 0.1491228 0.1491228), wk = 0.0039370 k( 134) = ( 0.1578947 0.1578947 0.1578947), wk = 0.0039370 k( 135) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0039370 k( 136) = ( 0.1754386 0.1754386 0.1754386), wk = 0.0039370 k( 137) = ( 0.1842105 0.1842105 0.1842105), wk = 0.0039370 k( 138) = ( 0.1929825 0.1929825 0.1929825), wk = 0.0039370 k( 139) = ( 0.2017544 0.2017544 0.2017544), wk = 0.0039370 k( 140) = ( 0.2105263 0.2105263 0.2105263), wk = 0.0039370 k( 141) = ( 0.2192983 0.2192982 0.2192982), wk = 0.0039370 k( 142) = ( 0.2280702 0.2280702 0.2280702), wk = 0.0039370 k( 143) = ( 0.2368421 0.2368421 0.2368421), wk = 0.0039370 k( 144) = ( 0.2456140 0.2456140 0.2456140), wk = 0.0039370 k( 145) = ( 0.2543860 0.2543860 0.2543860), wk = 0.0039370 k( 146) = ( 0.2631579 0.2631579 0.2631579), wk = 0.0039370 k( 147) = ( 0.2719298 0.2719298 0.2719298), wk = 0.0039370 k( 148) = ( 0.2807018 0.2807017 0.2807017), wk = 0.0039370 k( 149) = ( 0.2894737 0.2894737 0.2894737), wk = 0.0039370 k( 150) = ( 0.2982456 0.2982456 0.2982456), wk = 0.0039370 k( 151) = ( 0.3070175 0.3070175 0.3070175), wk = 0.0039370 k( 152) = ( 0.3157895 0.3157895 0.3157895), wk = 0.0039370 k( 153) = ( 0.3245614 0.3245614 0.3245614), wk = 0.0039370 k( 154) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0039370 k( 155) = ( 0.3421053 0.3421053 0.3421053), wk = 0.0039370 k( 156) = ( 0.3508772 0.3508772 0.3508772), wk = 0.0039370 k( 157) = ( 0.3596491 0.3596491 0.3596491), wk = 0.0039370 k( 158) = ( 0.3684211 0.3684210 0.3684210), wk = 0.0039370 k( 159) = ( 0.3771930 0.3771930 0.3771930), wk = 0.0039370 k( 160) = ( 0.3859649 0.3859649 0.3859649), wk = 0.0039370 k( 161) = ( 0.3947368 0.3947368 0.3947368), wk = 0.0039370 k( 162) = ( 0.4035088 0.4035088 0.4035088), wk = 0.0039370 k( 163) = ( 0.4122807 0.4122807 0.4122807), wk = 0.0039370 k( 164) = ( 0.4210526 0.4210526 0.4210526), wk = 0.0039370 k( 165) = ( 0.4298246 0.4298246 0.4298246), wk = 0.0039370 k( 166) = ( 0.4385965 0.4385965 0.4385965), wk = 0.0039370 k( 167) = ( 0.4473684 0.4473684 0.4473684), wk = 0.0039370 k( 168) = ( 0.4561404 0.4561403 0.4561403), wk = 0.0039370 k( 169) = ( 0.4649123 0.4649123 0.4649123), wk = 0.0039370 k( 170) = ( 0.4736842 0.4736842 0.4736842), wk = 0.0039370 k( 171) = ( 0.4824561 0.4824561 0.4824561), wk = 0.0039370 k( 172) = ( 0.4912281 0.4912281 0.4912281), wk = 0.0039370 k( 173) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039370 k( 174) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039370 k( 175) = ( 0.4891304 0.5000000 0.4891304), wk = 0.0039370 k( 176) = ( 0.4782609 0.5000000 0.4782609), wk = 0.0039370 k( 177) = ( 0.4673913 0.5000000 0.4673913), wk = 0.0039370 k( 178) = ( 0.4565217 0.5000000 0.4565217), wk = 0.0039370 k( 179) = ( 0.4456522 0.5000000 0.4456522), wk = 0.0039370 k( 180) = ( 0.4347826 0.5000000 0.4347826), wk = 0.0039370 k( 181) = ( 0.4239130 0.5000000 0.4239130), wk = 0.0039370 k( 182) = ( 0.4130435 0.5000000 0.4130435), wk = 0.0039370 k( 183) = ( 0.4021739 0.5000000 0.4021739), wk = 0.0039370 k( 184) = ( 0.3913044 0.5000000 0.3913043), wk = 0.0039370 k( 185) = ( 0.3804348 0.5000000 0.3804348), wk = 0.0039370 k( 186) = ( 0.3695652 0.5000000 0.3695652), wk = 0.0039370 k( 187) = ( 0.3586956 0.5000000 0.3586956), wk = 0.0039370 k( 188) = ( 0.3478261 0.5000000 0.3478261), wk = 0.0039370 k( 189) = ( 0.3369565 0.5000000 0.3369565), wk = 0.0039370 k( 190) = ( 0.3260870 0.5000000 0.3260870), wk = 0.0039370 k( 191) = ( 0.3152174 0.5000000 0.3152174), wk = 0.0039370 k( 192) = ( 0.3043478 0.5000000 0.3043478), wk = 0.0039370 k( 193) = ( 0.2934783 0.5000000 0.2934783), wk = 0.0039370 k( 194) = ( 0.2826087 0.5000000 0.2826087), wk = 0.0039370 k( 195) = ( 0.2717391 0.5000000 0.2717391), wk = 0.0039370 k( 196) = ( 0.2608696 0.5000000 0.2608696), wk = 0.0039370 k( 197) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0039370 k( 198) = ( 0.2391304 0.5000000 0.2391304), wk = 0.0039370 k( 199) = ( 0.2282609 0.5000000 0.2282609), wk = 0.0039370 k( 200) = ( 0.2173913 0.5000000 0.2173913), wk = 0.0039370 k( 201) = ( 0.2065217 0.5000000 0.2065217), wk = 0.0039370 k( 202) = ( 0.1956522 0.5000000 0.1956522), wk = 0.0039370 k( 203) = ( 0.1847826 0.5000000 0.1847826), wk = 0.0039370 k( 204) = ( 0.1739130 0.5000000 0.1739130), wk = 0.0039370 k( 205) = ( 0.1630435 0.5000000 0.1630435), wk = 0.0039370 k( 206) = ( 0.1521739 0.5000000 0.1521739), wk = 0.0039370 k( 207) = ( 0.1413043 0.5000000 0.1413043), wk = 0.0039370 k( 208) = ( 0.1304348 0.5000000 0.1304348), wk = 0.0039370 k( 209) = ( 0.1195652 0.5000000 0.1195652), wk = 0.0039370 k( 210) = ( 0.1086957 0.5000000 0.1086956), wk = 0.0039370 k( 211) = ( 0.0978261 0.5000000 0.0978261), wk = 0.0039370 k( 212) = ( 0.0869565 0.5000000 0.0869565), wk = 0.0039370 k( 213) = ( 0.0760870 0.5000000 0.0760870), wk = 0.0039370 k( 214) = ( 0.0652174 0.5000000 0.0652174), wk = 0.0039370 k( 215) = ( 0.0543478 0.5000000 0.0543478), wk = 0.0039370 k( 216) = ( 0.0434783 0.5000000 0.0434783), wk = 0.0039370 k( 217) = ( 0.0326087 0.5000000 0.0326087), wk = 0.0039370 k( 218) = ( 0.0217391 0.5000000 0.0217391), wk = 0.0039370 k( 219) = ( 0.0108696 0.5000000 0.0108696), wk = 0.0039370 k( 220) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0039370 k( 221) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0039370 k( 222) = ( 0.5000000 0.5000000 0.0151515), wk = 0.0039370 k( 223) = ( 0.5000000 0.5000000 0.0303030), wk = 0.0039370 k( 224) = ( 0.5000000 0.5000000 0.0454545), wk = 0.0039370 k( 225) = ( 0.5000000 0.5000000 0.0606061), wk = 0.0039370 k( 226) = ( 0.5000000 0.5000000 0.0757576), wk = 0.0039370 k( 227) = ( 0.5000000 0.5000000 0.0909091), wk = 0.0039370 k( 228) = ( 0.5000000 0.5000000 0.1060606), wk = 0.0039370 k( 229) = ( 0.5000000 0.5000000 0.1212121), wk = 0.0039370 k( 230) = ( 0.5000000 0.5000000 0.1363636), wk = 0.0039370 k( 231) = ( 0.5000000 0.5000000 0.1515151), wk = 0.0039370 k( 232) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0039370 k( 233) = ( 0.5000000 0.5000000 0.1818182), wk = 0.0039370 k( 234) = ( 0.5000000 0.5000000 0.1969697), wk = 0.0039370 k( 235) = ( 0.5000000 0.5000000 0.2121212), wk = 0.0039370 k( 236) = ( 0.5000000 0.5000000 0.2272727), wk = 0.0039370 k( 237) = ( 0.5000000 0.5000000 0.2424242), wk = 0.0039370 k( 238) = ( 0.5000000 0.5000000 0.2575758), wk = 0.0039370 k( 239) = ( 0.5000000 0.5000000 0.2727273), wk = 0.0039370 k( 240) = ( 0.5000000 0.5000000 0.2878788), wk = 0.0039370 k( 241) = ( 0.5000000 0.5000000 0.3030303), wk = 0.0039370 k( 242) = ( 0.5000000 0.5000000 0.3181818), wk = 0.0039370 k( 243) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0039370 k( 244) = ( 0.5000000 0.5000000 0.3484848), wk = 0.0039370 k( 245) = ( 0.5000000 0.5000000 0.3636364), wk = 0.0039370 k( 246) = ( 0.5000000 0.5000000 0.3787879), wk = 0.0039370 k( 247) = ( 0.5000000 0.5000000 0.3939394), wk = 0.0039370 k( 248) = ( 0.5000000 0.5000000 0.4090909), wk = 0.0039370 k( 249) = ( 0.5000000 0.5000000 0.4242424), wk = 0.0039370 k( 250) = ( 0.5000000 0.5000000 0.4393939), wk = 0.0039370 k( 251) = ( 0.5000000 0.5000000 0.4545454), wk = 0.0039370 k( 252) = ( 0.5000000 0.5000000 0.4696970), wk = 0.0039370 k( 253) = ( 0.5000000 0.5000000 0.4848485), wk = 0.0039370 k( 254) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039370 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039370 k( 2) = ( 0.0000000 0.0151515 0.0000000), wk = 0.0039370 k( 3) = ( 0.0000000 0.0303030 0.0000000), wk = 0.0039370 k( 4) = ( 0.0000000 0.0454546 0.0000000), wk = 0.0039370 k( 5) = ( 0.0000000 0.0606061 0.0000000), wk = 0.0039370 k( 6) = ( 0.0000000 0.0757576 0.0000000), wk = 0.0039370 k( 7) = ( 0.0000000 0.0909091 0.0000000), wk = 0.0039370 k( 8) = ( 0.0000000 0.1060606 0.0000000), wk = 0.0039370 k( 9) = ( 0.0000000 0.1212121 0.0000000), wk = 0.0039370 k( 10) = ( 0.0000000 0.1363636 0.0000000), wk = 0.0039370 k( 11) = ( 0.0000000 0.1515151 0.0000000), wk = 0.0039370 k( 12) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0039370 k( 13) = ( 0.0000000 0.1818182 0.0000000), wk = 0.0039370 k( 14) = ( 0.0000000 0.1969697 0.0000000), wk = 0.0039370 k( 15) = ( 0.0000000 0.2121212 0.0000000), wk = 0.0039370 k( 16) = ( 0.0000000 0.2272727 0.0000000), wk = 0.0039370 k( 17) = ( 0.0000000 0.2424242 0.0000000), wk = 0.0039370 k( 18) = ( 0.0000000 0.2575758 0.0000000), wk = 0.0039370 k( 19) = ( 0.0000000 0.2727273 0.0000000), wk = 0.0039370 k( 20) = ( 0.0000000 0.2878788 0.0000000), wk = 0.0039370 k( 21) = ( 0.0000000 0.3030303 0.0000000), wk = 0.0039370 k( 22) = ( 0.0000000 0.3181818 0.0000000), wk = 0.0039370 k( 23) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0039370 k( 24) = ( 0.0000000 0.3484849 0.0000000), wk = 0.0039370 k( 25) = ( 0.0000000 0.3636364 0.0000000), wk = 0.0039370 k( 26) = ( 0.0000000 0.3787879 0.0000000), wk = 0.0039370 k( 27) = ( 0.0000000 0.3939394 0.0000000), wk = 0.0039370 k( 28) = ( 0.0000000 0.4090909 0.0000000), wk = 0.0039370 k( 29) = ( 0.0000000 0.4242424 0.0000000), wk = 0.0039370 k( 30) = ( 0.0000000 0.4393939 0.0000000), wk = 0.0039370 k( 31) = ( 0.0000000 0.4545455 0.0000000), wk = 0.0039370 k( 32) = ( 0.0000000 0.4696970 0.0000000), wk = 0.0039370 k( 33) = ( 0.0000000 0.4848485 0.0000000), wk = 0.0039370 k( 34) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0039370 k( 35) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0039370 k( 36) = ( 0.0151515 0.5000000 0.0000000), wk = 0.0039370 k( 37) = ( 0.0303030 0.5000000 0.0000000), wk = 0.0039370 k( 38) = ( 0.0454546 0.5000000 0.0000000), wk = 0.0039370 k( 39) = ( 0.0606061 0.5000000 0.0000000), wk = 0.0039370 k( 40) = ( 0.0757576 0.5000000 0.0000000), wk = 0.0039370 k( 41) = ( 0.0909091 0.5000000 0.0000000), wk = 0.0039370 k( 42) = ( 0.1060606 0.5000000 0.0000000), wk = 0.0039370 k( 43) = ( 0.1212121 0.5000000 0.0000000), wk = 0.0039370 k( 44) = ( 0.1363636 0.5000000 0.0000000), wk = 0.0039370 k( 45) = ( 0.1515151 0.5000000 0.0000000), wk = 0.0039370 k( 46) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0039370 k( 47) = ( 0.1818182 0.5000000 0.0000000), wk = 0.0039370 k( 48) = ( 0.1969697 0.5000000 0.0000000), wk = 0.0039370 k( 49) = ( 0.2121212 0.5000000 0.0000000), wk = 0.0039370 k( 50) = ( 0.2272727 0.5000000 0.0000000), wk = 0.0039370 k( 51) = ( 0.2424242 0.5000000 0.0000000), wk = 0.0039370 k( 52) = ( 0.2575758 0.5000000 0.0000000), wk = 0.0039370 k( 53) = ( 0.2727273 0.5000000 0.0000000), wk = 0.0039370 k( 54) = ( 0.2878788 0.5000000 -0.0000000), wk = 0.0039370 k( 55) = ( 0.3030303 0.5000000 0.0000000), wk = 0.0039370 k( 56) = ( 0.3181818 0.5000000 -0.0000000), wk = 0.0039370 k( 57) = ( 0.3333333 0.5000000 0.0000000), wk = 0.0039370 k( 58) = ( 0.3484849 0.5000000 0.0000000), wk = 0.0039370 k( 59) = ( 0.3636364 0.5000000 0.0000000), wk = 0.0039370 k( 60) = ( 0.3787879 0.5000000 0.0000000), wk = 0.0039370 k( 61) = ( 0.3939394 0.5000000 0.0000000), wk = 0.0039370 k( 62) = ( 0.4090909 0.5000000 0.0000000), wk = 0.0039370 k( 63) = ( 0.4242424 0.5000000 0.0000000), wk = 0.0039370 k( 64) = ( 0.4393939 0.5000000 0.0000000), wk = 0.0039370 k( 65) = ( 0.4545455 0.5000000 0.0000000), wk = 0.0039370 k( 66) = ( 0.4696970 0.5000000 0.0000000), wk = 0.0039370 k( 67) = ( 0.4848485 0.5000000 0.0000000), wk = 0.0039370 k( 68) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0039370 k( 69) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0039370 k( 70) = ( 0.4891304 0.4891304 0.0000000), wk = 0.0039370 k( 71) = ( 0.4782609 0.4782609 0.0000000), wk = 0.0039370 k( 72) = ( 0.4673913 0.4673913 0.0000000), wk = 0.0039370 k( 73) = ( 0.4565217 0.4565217 0.0000000), wk = 0.0039370 k( 74) = ( 0.4456522 0.4456522 0.0000000), wk = 0.0039370 k( 75) = ( 0.4347826 0.4347826 0.0000000), wk = 0.0039370 k( 76) = ( 0.4239130 0.4239130 -0.0000000), wk = 0.0039370 k( 77) = ( 0.4130435 0.4130435 0.0000000), wk = 0.0039370 k( 78) = ( 0.4021739 0.4021739 0.0000000), wk = 0.0039370 k( 79) = ( 0.3913044 0.3913044 -0.0000000), wk = 0.0039370 k( 80) = ( 0.3804348 0.3804348 -0.0000000), wk = 0.0039370 k( 81) = ( 0.3695652 0.3695652 0.0000000), wk = 0.0039370 k( 82) = ( 0.3586956 0.3586956 0.0000000), wk = 0.0039370 k( 83) = ( 0.3478261 0.3478261 -0.0000000), wk = 0.0039370 k( 84) = ( 0.3369565 0.3369565 0.0000000), wk = 0.0039370 k( 85) = ( 0.3260870 0.3260870 0.0000000), wk = 0.0039370 k( 86) = ( 0.3152174 0.3152174 -0.0000000), wk = 0.0039370 k( 87) = ( 0.3043478 0.3043478 0.0000000), wk = 0.0039370 k( 88) = ( 0.2934783 0.2934783 0.0000000), wk = 0.0039370 k( 89) = ( 0.2826087 0.2826087 -0.0000000), wk = 0.0039370 k( 90) = ( 0.2717391 0.2717391 0.0000000), wk = 0.0039370 k( 91) = ( 0.2608696 0.2608696 0.0000000), wk = 0.0039370 k( 92) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0039370 k( 93) = ( 0.2391304 0.2391304 0.0000000), wk = 0.0039370 k( 94) = ( 0.2282609 0.2282609 0.0000000), wk = 0.0039370 k( 95) = ( 0.2173913 0.2173913 0.0000000), wk = 0.0039370 k( 96) = ( 0.2065217 0.2065217 0.0000000), wk = 0.0039370 k( 97) = ( 0.1956522 0.1956522 0.0000000), wk = 0.0039370 k( 98) = ( 0.1847826 0.1847826 0.0000000), wk = 0.0039370 k( 99) = ( 0.1739130 0.1739130 -0.0000000), wk = 0.0039370 k( 100) = ( 0.1630435 0.1630435 0.0000000), wk = 0.0039370 k( 101) = ( 0.1521739 0.1521739 -0.0000000), wk = 0.0039370 k( 102) = ( 0.1413043 0.1413043 -0.0000000), wk = 0.0039370 k( 103) = ( 0.1304348 0.1304348 0.0000000), wk = 0.0039370 k( 104) = ( 0.1195652 0.1195652 0.0000000), wk = 0.0039370 k( 105) = ( 0.1086957 0.1086957 0.0000000), wk = 0.0039370 k( 106) = ( 0.0978261 0.0978261 0.0000000), wk = 0.0039370 k( 107) = ( 0.0869565 0.0869565 -0.0000000), wk = 0.0039370 k( 108) = ( 0.0760870 0.0760870 0.0000000), wk = 0.0039370 k( 109) = ( 0.0652174 0.0652174 0.0000000), wk = 0.0039370 k( 110) = ( 0.0543478 0.0543478 0.0000000), wk = 0.0039370 k( 111) = ( 0.0434783 0.0434783 -0.0000000), wk = 0.0039370 k( 112) = ( 0.0326087 0.0326087 0.0000000), wk = 0.0039370 k( 113) = ( 0.0217391 0.0217391 -0.0000000), wk = 0.0039370 k( 114) = ( 0.0108696 0.0108696 0.0000000), wk = 0.0039370 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039370 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039370 k( 117) = ( 0.0087719 0.0087719 0.0087719), wk = 0.0039370 k( 118) = ( 0.0175439 0.0175439 0.0175439), wk = 0.0039370 k( 119) = ( 0.0263158 0.0263158 0.0263158), wk = 0.0039370 k( 120) = ( 0.0350877 0.0350877 0.0350877), wk = 0.0039370 k( 121) = ( 0.0438597 0.0438597 0.0438597), wk = 0.0039370 k( 122) = ( 0.0526316 0.0526316 0.0526316), wk = 0.0039370 k( 123) = ( 0.0614035 0.0614035 0.0614035), wk = 0.0039370 k( 124) = ( 0.0701754 0.0701754 0.0701754), wk = 0.0039370 k( 125) = ( 0.0789474 0.0789474 0.0789474), wk = 0.0039370 k( 126) = ( 0.0877193 0.0877193 0.0877193), wk = 0.0039370 k( 127) = ( 0.0964912 0.0964912 0.0964912), wk = 0.0039370 k( 128) = ( 0.1052632 0.1052632 0.1052632), wk = 0.0039370 k( 129) = ( 0.1140351 0.1140351 0.1140351), wk = 0.0039370 k( 130) = ( 0.1228070 0.1228070 0.1228070), wk = 0.0039370 k( 131) = ( 0.1315790 0.1315790 0.1315790), wk = 0.0039370 k( 132) = ( 0.1403509 0.1403509 0.1403509), wk = 0.0039370 k( 133) = ( 0.1491228 0.1491228 0.1491228), wk = 0.0039370 k( 134) = ( 0.1578947 0.1578947 0.1578947), wk = 0.0039370 k( 135) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0039370 k( 136) = ( 0.1754386 0.1754386 0.1754386), wk = 0.0039370 k( 137) = ( 0.1842105 0.1842105 0.1842105), wk = 0.0039370 k( 138) = ( 0.1929825 0.1929825 0.1929825), wk = 0.0039370 k( 139) = ( 0.2017544 0.2017544 0.2017544), wk = 0.0039370 k( 140) = ( 0.2105263 0.2105263 0.2105263), wk = 0.0039370 k( 141) = ( 0.2192983 0.2192983 0.2192983), wk = 0.0039370 k( 142) = ( 0.2280702 0.2280702 0.2280702), wk = 0.0039370 k( 143) = ( 0.2368421 0.2368421 0.2368421), wk = 0.0039370 k( 144) = ( 0.2456140 0.2456140 0.2456140), wk = 0.0039370 k( 145) = ( 0.2543860 0.2543860 0.2543860), wk = 0.0039370 k( 146) = ( 0.2631579 0.2631579 0.2631579), wk = 0.0039370 k( 147) = ( 0.2719298 0.2719298 0.2719298), wk = 0.0039370 k( 148) = ( 0.2807018 0.2807018 0.2807018), wk = 0.0039370 k( 149) = ( 0.2894737 0.2894737 0.2894737), wk = 0.0039370 k( 150) = ( 0.2982456 0.2982456 0.2982456), wk = 0.0039370 k( 151) = ( 0.3070175 0.3070175 0.3070175), wk = 0.0039370 k( 152) = ( 0.3157895 0.3157895 0.3157895), wk = 0.0039370 k( 153) = ( 0.3245614 0.3245614 0.3245614), wk = 0.0039370 k( 154) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0039370 k( 155) = ( 0.3421053 0.3421053 0.3421053), wk = 0.0039370 k( 156) = ( 0.3508772 0.3508772 0.3508772), wk = 0.0039370 k( 157) = ( 0.3596491 0.3596491 0.3596491), wk = 0.0039370 k( 158) = ( 0.3684211 0.3684211 0.3684211), wk = 0.0039370 k( 159) = ( 0.3771930 0.3771930 0.3771930), wk = 0.0039370 k( 160) = ( 0.3859649 0.3859649 0.3859649), wk = 0.0039370 k( 161) = ( 0.3947368 0.3947368 0.3947368), wk = 0.0039370 k( 162) = ( 0.4035088 0.4035088 0.4035088), wk = 0.0039370 k( 163) = ( 0.4122807 0.4122807 0.4122807), wk = 0.0039370 k( 164) = ( 0.4210526 0.4210526 0.4210526), wk = 0.0039370 k( 165) = ( 0.4298246 0.4298246 0.4298246), wk = 0.0039370 k( 166) = ( 0.4385965 0.4385965 0.4385965), wk = 0.0039370 k( 167) = ( 0.4473684 0.4473684 0.4473684), wk = 0.0039370 k( 168) = ( 0.4561404 0.4561404 0.4561404), wk = 0.0039370 k( 169) = ( 0.4649123 0.4649123 0.4649123), wk = 0.0039370 k( 170) = ( 0.4736842 0.4736842 0.4736842), wk = 0.0039370 k( 171) = ( 0.4824561 0.4824561 0.4824561), wk = 0.0039370 k( 172) = ( 0.4912281 0.4912281 0.4912281), wk = 0.0039370 k( 173) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039370 k( 174) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039370 k( 175) = ( 0.4891304 0.5000000 0.4891304), wk = 0.0039370 k( 176) = ( 0.4782609 0.5000000 0.4782609), wk = 0.0039370 k( 177) = ( 0.4673913 0.5000000 0.4673913), wk = 0.0039370 k( 178) = ( 0.4565217 0.5000000 0.4565217), wk = 0.0039370 k( 179) = ( 0.4456522 0.5000000 0.4456522), wk = 0.0039370 k( 180) = ( 0.4347826 0.5000000 0.4347826), wk = 0.0039370 k( 181) = ( 0.4239130 0.5000000 0.4239130), wk = 0.0039370 k( 182) = ( 0.4130435 0.5000000 0.4130435), wk = 0.0039370 k( 183) = ( 0.4021739 0.5000000 0.4021739), wk = 0.0039370 k( 184) = ( 0.3913044 0.5000000 0.3913044), wk = 0.0039370 k( 185) = ( 0.3804348 0.5000000 0.3804348), wk = 0.0039370 k( 186) = ( 0.3695652 0.5000000 0.3695652), wk = 0.0039370 k( 187) = ( 0.3586956 0.5000000 0.3586956), wk = 0.0039370 k( 188) = ( 0.3478261 0.5000000 0.3478261), wk = 0.0039370 k( 189) = ( 0.3369565 0.5000000 0.3369565), wk = 0.0039370 k( 190) = ( 0.3260870 0.5000000 0.3260870), wk = 0.0039370 k( 191) = ( 0.3152174 0.5000000 0.3152174), wk = 0.0039370 k( 192) = ( 0.3043478 0.5000000 0.3043478), wk = 0.0039370 k( 193) = ( 0.2934783 0.5000000 0.2934783), wk = 0.0039370 k( 194) = ( 0.2826087 0.5000000 0.2826087), wk = 0.0039370 k( 195) = ( 0.2717391 0.5000000 0.2717391), wk = 0.0039370 k( 196) = ( 0.2608696 0.5000000 0.2608696), wk = 0.0039370 k( 197) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0039370 k( 198) = ( 0.2391304 0.5000000 0.2391304), wk = 0.0039370 k( 199) = ( 0.2282609 0.5000000 0.2282609), wk = 0.0039370 k( 200) = ( 0.2173913 0.5000000 0.2173913), wk = 0.0039370 k( 201) = ( 0.2065217 0.5000000 0.2065217), wk = 0.0039370 k( 202) = ( 0.1956522 0.5000000 0.1956522), wk = 0.0039370 k( 203) = ( 0.1847826 0.5000000 0.1847826), wk = 0.0039370 k( 204) = ( 0.1739130 0.5000000 0.1739130), wk = 0.0039370 k( 205) = ( 0.1630435 0.5000000 0.1630435), wk = 0.0039370 k( 206) = ( 0.1521739 0.5000000 0.1521739), wk = 0.0039370 k( 207) = ( 0.1413043 0.5000000 0.1413043), wk = 0.0039370 k( 208) = ( 0.1304348 0.5000000 0.1304348), wk = 0.0039370 k( 209) = ( 0.1195652 0.5000000 0.1195652), wk = 0.0039370 k( 210) = ( 0.1086957 0.5000000 0.1086957), wk = 0.0039370 k( 211) = ( 0.0978261 0.5000000 0.0978261), wk = 0.0039370 k( 212) = ( 0.0869565 0.5000000 0.0869565), wk = 0.0039370 k( 213) = ( 0.0760870 0.5000000 0.0760870), wk = 0.0039370 k( 214) = ( 0.0652174 0.5000000 0.0652174), wk = 0.0039370 k( 215) = ( 0.0543478 0.5000000 0.0543478), wk = 0.0039370 k( 216) = ( 0.0434783 0.5000000 0.0434783), wk = 0.0039370 k( 217) = ( 0.0326087 0.5000000 0.0326087), wk = 0.0039370 k( 218) = ( 0.0217391 0.5000000 0.0217391), wk = 0.0039370 k( 219) = ( 0.0108696 0.5000000 0.0108696), wk = 0.0039370 k( 220) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0039370 k( 221) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0039370 k( 222) = ( 0.5000000 0.5000000 0.0151515), wk = 0.0039370 k( 223) = ( 0.5000000 0.5000000 0.0303030), wk = 0.0039370 k( 224) = ( 0.5000000 0.5000000 0.0454546), wk = 0.0039370 k( 225) = ( 0.5000000 0.5000000 0.0606061), wk = 0.0039370 k( 226) = ( 0.5000000 0.5000000 0.0757576), wk = 0.0039370 k( 227) = ( 0.5000000 0.5000000 0.0909091), wk = 0.0039370 k( 228) = ( 0.5000000 0.5000000 0.1060606), wk = 0.0039370 k( 229) = ( 0.5000000 0.5000000 0.1212121), wk = 0.0039370 k( 230) = ( 0.5000000 0.5000000 0.1363636), wk = 0.0039370 k( 231) = ( 0.5000000 0.5000000 0.1515151), wk = 0.0039370 k( 232) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0039370 k( 233) = ( 0.5000000 0.5000000 0.1818182), wk = 0.0039370 k( 234) = ( 0.5000000 0.5000000 0.1969697), wk = 0.0039370 k( 235) = ( 0.5000000 0.5000000 0.2121212), wk = 0.0039370 k( 236) = ( 0.5000000 0.5000000 0.2272727), wk = 0.0039370 k( 237) = ( 0.5000000 0.5000000 0.2424242), wk = 0.0039370 k( 238) = ( 0.5000000 0.5000000 0.2575758), wk = 0.0039370 k( 239) = ( 0.5000000 0.5000000 0.2727273), wk = 0.0039370 k( 240) = ( 0.5000000 0.5000000 0.2878788), wk = 0.0039370 k( 241) = ( 0.5000000 0.5000000 0.3030303), wk = 0.0039370 k( 242) = ( 0.5000000 0.5000000 0.3181818), wk = 0.0039370 k( 243) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0039370 k( 244) = ( 0.5000000 0.5000000 0.3484849), wk = 0.0039370 k( 245) = ( 0.5000000 0.5000000 0.3636364), wk = 0.0039370 k( 246) = ( 0.5000000 0.5000000 0.3787879), wk = 0.0039370 k( 247) = ( 0.5000000 0.5000000 0.3939394), wk = 0.0039370 k( 248) = ( 0.5000000 0.5000000 0.4090909), wk = 0.0039370 k( 249) = ( 0.5000000 0.5000000 0.4242424), wk = 0.0039370 k( 250) = ( 0.5000000 0.5000000 0.4393939), wk = 0.0039370 k( 251) = ( 0.5000000 0.5000000 0.4545455), wk = 0.0039370 k( 252) = ( 0.5000000 0.5000000 0.4696970), wk = 0.0039370 k( 253) = ( 0.5000000 0.5000000 0.4848485), wk = 0.0039370 k( 254) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039370 Dense grid: 74893 G-vectors FFT dimensions: ( 54, 54, 54) Smooth grid: 32531 G-vectors FFT dimensions: ( 40, 40, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.16 Mb ( 220, 48) NL pseudopotentials 0.25 Mb ( 110, 150) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.02 Mb ( 2079) G-vector shells 0.00 Mb ( 462) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.64 Mb ( 220, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.22 Mb ( 150, 2, 48) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./Ca3SbN.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 4.1 secs Computing kpt #: 2 total cpu time spent up to now is 4.9 secs Computing kpt #: 3 total cpu time spent up to now is 5.8 secs Computing kpt #: 4 total cpu time spent up to now is 6.8 secs Computing kpt #: 5 total cpu time spent up to now is 7.8 secs Computing kpt #: 6 total cpu time spent up to now is 8.7 secs Computing kpt #: 7 total cpu time spent up to now is 9.7 secs Computing kpt #: 8 total cpu time spent up to now is 10.7 secs Computing kpt #: 9 total cpu time spent up to now is 12.0 secs Computing kpt #: 10 total cpu time spent up to now is 12.9 secs Computing kpt #: 11 total cpu time spent up to now is 13.8 secs Computing kpt #: 12 total cpu time spent up to now is 14.6 secs Computing kpt #: 13 total cpu time spent up to now is 15.4 secs Computing kpt #: 14 total cpu time spent up to now is 16.3 secs Computing kpt #: 15 total cpu time spent up to now is 17.1 secs Computing kpt #: 16 total cpu time spent up to now is 17.9 secs Computing kpt #: 17 total cpu time spent up to now is 18.7 secs Computing kpt #: 18 total cpu time spent up to now is 19.5 secs Computing kpt #: 19 total cpu time spent up to now is 20.3 secs Computing kpt #: 20 total cpu time spent up to now is 21.2 secs Computing kpt #: 21 total cpu time spent up to now is 22.0 secs Computing kpt #: 22 total cpu time spent up to now is 22.8 secs Computing kpt #: 23 total cpu time spent up to now is 23.7 secs Computing kpt #: 24 total cpu time spent up to now is 24.5 secs Computing kpt #: 25 total cpu time spent up to now is 25.3 secs Computing kpt #: 26 total cpu time spent up to now is 26.2 secs Computing kpt #: 27 total cpu time spent up to now is 27.1 secs Computing kpt #: 28 total cpu time spent up to now is 28.0 secs Computing kpt #: 29 total cpu time spent up to now is 28.8 secs Computing kpt #: 30 total cpu time spent up to now is 29.8 secs Computing kpt #: 31 total cpu time spent up to now is 30.7 secs Computing kpt #: 32 total cpu time spent up to now is 31.7 secs Computing kpt #: 33 total cpu time spent up to now is 32.6 secs Computing kpt #: 34 total cpu time spent up to now is 33.5 secs Computing kpt #: 35 total cpu time spent up to now is 34.4 secs Computing kpt #: 36 total cpu time spent up to now is 35.5 secs Computing kpt #: 37 total cpu time spent up to now is 36.6 secs Computing kpt #: 38 total cpu time spent up to now is 37.9 secs Computing kpt #: 39 total cpu time spent up to now is 38.8 secs Computing kpt #: 40 total cpu time spent up to now is 39.8 secs Computing kpt #: 41 total cpu time spent up to now is 40.7 secs Computing kpt #: 42 total cpu time spent up to now is 41.6 secs Computing kpt #: 43 total cpu time spent up to now is 42.5 secs Computing kpt #: 44 total cpu time spent up to now is 43.4 secs Computing kpt #: 45 total cpu time spent up to now is 44.3 secs Computing kpt #: 46 total cpu time spent up to now is 45.1 secs Computing kpt #: 47 total cpu time spent up to now is 46.0 secs Computing kpt #: 48 total cpu time spent up to now is 46.9 secs Computing kpt #: 49 total cpu time spent up to now is 47.7 secs Computing kpt #: 50 total cpu time spent up to now is 48.6 secs Computing kpt #: 51 total cpu time spent up to now is 49.8 secs Computing kpt #: 52 total cpu time spent up to now is 51.0 secs Computing kpt #: 53 total cpu time spent up to now is 52.2 secs Computing kpt #: 54 total cpu time spent up to now is 53.6 secs Computing kpt #: 55 total cpu time spent up to now is 54.9 secs Computing kpt #: 56 total cpu time spent up to now is 56.3 secs Computing kpt #: 57 total cpu time spent up to now is 57.6 secs Computing kpt #: 58 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 59.1 secs Computing kpt #: 59 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 60.5 secs Computing kpt #: 60 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 62.0 secs Computing kpt #: 61 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 63.5 secs Computing kpt #: 62 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 64.9 secs Computing kpt #: 63 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 66.5 secs Computing kpt #: 64 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 68.0 secs Computing kpt #: 65 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 69.5 secs Computing kpt #: 66 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 70.9 secs Computing kpt #: 67 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 72.4 secs Computing kpt #: 68 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 73.8 secs Computing kpt #: 69 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 75.3 secs Computing kpt #: 70 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 76.7 secs Computing kpt #: 71 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 78.2 secs Computing kpt #: 72 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 79.6 secs Computing kpt #: 73 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 81.1 secs Computing kpt #: 74 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 82.6 secs Computing kpt #: 75 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 84.0 secs Computing kpt #: 76 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 85.4 secs Computing kpt #: 77 total cpu time spent up to now is 86.8 secs Computing kpt #: 78 total cpu time spent up to now is 88.0 secs Computing kpt #: 79 total cpu time spent up to now is 89.0 secs Computing kpt #: 80 total cpu time spent up to now is 89.9 secs Computing kpt #: 81 total cpu time spent up to now is 90.9 secs Computing kpt #: 82 total cpu time spent up to now is 91.9 secs Computing kpt #: 83 total cpu time spent up to now is 92.8 secs Computing kpt #: 84 total cpu time spent up to now is 93.6 secs Computing kpt #: 85 total cpu time spent up to now is 94.5 secs Computing kpt #: 86 total cpu time spent up to now is 95.3 secs Computing kpt #: 87 total cpu time spent up to now is 96.2 secs Computing kpt #: 88 total cpu time spent up to now is 97.0 secs Computing kpt #: 89 total cpu time spent up to now is 97.7 secs Computing kpt #: 90 total cpu time spent up to now is 98.5 secs Computing kpt #: 91 total cpu time spent up to now is 99.2 secs Computing kpt #: 92 total cpu time spent up to now is 100.0 secs Computing kpt #: 93 total cpu time spent up to now is 100.8 secs Computing kpt #: 94 total cpu time spent up to now is 101.6 secs Computing kpt #: 95 total cpu time spent up to now is 102.4 secs Computing kpt #: 96 total cpu time spent up to now is 103.1 secs Computing kpt #: 97 total cpu time spent up to now is 103.9 secs Computing kpt #: 98 total cpu time spent up to now is 104.7 secs Computing kpt #: 99 total cpu time spent up to now is 105.6 secs Computing kpt #: 100 total cpu time spent up to now is 106.3 secs Computing kpt #: 101 total cpu time spent up to now is 107.1 secs Computing kpt #: 102 total cpu time spent up to now is 107.9 secs Computing kpt #: 103 total cpu time spent up to now is 108.6 secs Computing kpt #: 104 total cpu time spent up to now is 109.4 secs Computing kpt #: 105 total cpu time spent up to now is 110.2 secs Computing kpt #: 106 total cpu time spent up to now is 111.3 secs Computing kpt #: 107 total cpu time spent up to now is 112.3 secs Computing kpt #: 108 total cpu time spent up to now is 114.0 secs Computing kpt #: 109 total cpu time spent up to now is 115.0 secs Computing kpt #: 110 total cpu time spent up to now is 116.1 secs Computing kpt #: 111 total cpu time spent up to now is 117.1 secs Computing kpt #: 112 total cpu time spent up to now is 118.0 secs Computing kpt #: 113 total cpu time spent up to now is 118.9 secs Computing kpt #: 114 total cpu time spent up to now is 119.7 secs Computing kpt #: 115 total cpu time spent up to now is 120.5 secs Computing kpt #: 116 total cpu time spent up to now is 121.3 secs Computing kpt #: 117 total cpu time spent up to now is 122.1 secs Computing kpt #: 118 total cpu time spent up to now is 123.0 secs Computing kpt #: 119 total cpu time spent up to now is 123.8 secs Computing kpt #: 120 total cpu time spent up to now is 124.8 secs Computing kpt #: 121 total cpu time spent up to now is 125.7 secs Computing kpt #: 122 total cpu time spent up to now is 126.7 secs Computing kpt #: 123 total cpu time spent up to now is 127.8 secs Computing kpt #: 124 total cpu time spent up to now is 128.9 secs Computing kpt #: 125 total cpu time spent up to now is 129.7 secs Computing kpt #: 126 total cpu time spent up to now is 130.5 secs Computing kpt #: 127 total cpu time spent up to now is 131.2 secs Computing kpt #: 128 total cpu time spent up to now is 132.0 secs Computing kpt #: 129 total cpu time spent up to now is 132.8 secs Computing kpt #: 130 total cpu time spent up to now is 133.5 secs Computing kpt #: 131 total cpu time spent up to now is 134.4 secs Computing kpt #: 132 total cpu time spent up to now is 135.2 secs Computing kpt #: 133 total cpu time spent up to now is 136.1 secs Computing kpt #: 134 total cpu time spent up to now is 137.0 secs Computing kpt #: 135 total cpu time spent up to now is 137.8 secs Computing kpt #: 136 total cpu time spent up to now is 138.7 secs Computing kpt #: 137 total cpu time spent up to now is 139.6 secs Computing kpt #: 138 total cpu time spent up to now is 140.5 secs Computing kpt #: 139 total cpu time spent up to now is 141.4 secs Computing kpt #: 140 total cpu time spent up to now is 142.2 secs Computing kpt #: 141 total cpu time spent up to now is 143.1 secs Computing kpt #: 142 total cpu time spent up to now is 144.0 secs Computing kpt #: 143 total cpu time spent up to now is 144.8 secs Computing kpt #: 144 total cpu time spent up to now is 145.7 secs Computing kpt #: 145 total cpu time spent up to now is 146.5 secs Computing kpt #: 146 total cpu time spent up to now is 147.3 secs Computing kpt #: 147 total cpu time spent up to now is 148.0 secs Computing kpt #: 148 total cpu time spent up to now is 148.8 secs Computing kpt #: 149 total cpu time spent up to now is 149.5 secs Computing kpt #: 150 total cpu time spent up to now is 150.2 secs Computing kpt #: 151 total cpu time spent up to now is 150.9 secs Computing kpt #: 152 total cpu time spent up to now is 151.6 secs Computing kpt #: 153 total cpu time spent up to now is 152.4 secs Computing kpt #: 154 total cpu time spent up to now is 153.1 secs Computing kpt #: 155 total cpu time spent up to now is 153.8 secs Computing kpt #: 156 total cpu time spent up to now is 154.5 secs Computing kpt #: 157 total cpu time spent up to now is 155.2 secs Computing kpt #: 158 total cpu time spent up to now is 155.9 secs Computing kpt #: 159 total cpu time spent up to now is 156.8 secs Computing kpt #: 160 total cpu time spent up to now is 157.7 secs Computing kpt #: 161 total cpu time spent up to now is 158.6 secs Computing kpt #: 162 total cpu time spent up to now is 159.6 secs Computing kpt #: 163 total cpu time spent up to now is 160.6 secs Computing kpt #: 164 total cpu time spent up to now is 161.7 secs Computing kpt #: 165 total cpu time spent up to now is 162.7 secs Computing kpt #: 166 total cpu time spent up to now is 163.7 secs Computing kpt #: 167 total cpu time spent up to now is 164.8 secs Computing kpt #: 168 total cpu time spent up to now is 165.8 secs Computing kpt #: 169 total cpu time spent up to now is 166.9 secs Computing kpt #: 170 total cpu time spent up to now is 167.9 secs Computing kpt #: 171 total cpu time spent up to now is 168.9 secs Computing kpt #: 172 total cpu time spent up to now is 169.9 secs Computing kpt #: 173 total cpu time spent up to now is 170.9 secs Computing kpt #: 174 total cpu time spent up to now is 172.1 secs Computing kpt #: 175 total cpu time spent up to now is 173.1 secs Computing kpt #: 176 total cpu time spent up to now is 174.2 secs Computing kpt #: 177 total cpu time spent up to now is 175.2 secs Computing kpt #: 178 total cpu time spent up to now is 176.2 secs Computing kpt #: 179 total cpu time spent up to now is 177.2 secs Computing kpt #: 180 total cpu time spent up to now is 178.4 secs Computing kpt #: 181 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 179.9 secs Computing kpt #: 182 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 181.4 secs Computing kpt #: 183 total cpu time spent up to now is 182.6 secs Computing kpt #: 184 total cpu time spent up to now is 183.8 secs Computing kpt #: 185 total cpu time spent up to now is 185.0 secs Computing kpt #: 186 total cpu time spent up to now is 186.1 secs Computing kpt #: 187 total cpu time spent up to now is 187.3 secs Computing kpt #: 188 total cpu time spent up to now is 188.3 secs Computing kpt #: 189 total cpu time spent up to now is 189.3 secs Computing kpt #: 190 total cpu time spent up to now is 190.3 secs Computing kpt #: 191 total cpu time spent up to now is 191.3 secs Computing kpt #: 192 total cpu time spent up to now is 192.3 secs Computing kpt #: 193 total cpu time spent up to now is 193.3 secs Computing kpt #: 194 total cpu time spent up to now is 194.4 secs Computing kpt #: 195 total cpu time spent up to now is 195.3 secs Computing kpt #: 196 total cpu time spent up to now is 196.2 secs Computing kpt #: 197 total cpu time spent up to now is 197.2 secs Computing kpt #: 198 total cpu time spent up to now is 198.2 secs Computing kpt #: 199 total cpu time spent up to now is 199.2 secs Computing kpt #: 200 total cpu time spent up to now is 200.2 secs Computing kpt #: 201 total cpu time spent up to now is 201.3 secs Computing kpt #: 202 total cpu time spent up to now is 202.4 secs Computing kpt #: 203 total cpu time spent up to now is 203.4 secs Computing kpt #: 204 total cpu time spent up to now is 204.5 secs Computing kpt #: 205 total cpu time spent up to now is 205.4 secs Computing kpt #: 206 total cpu time spent up to now is 206.6 secs Computing kpt #: 207 total cpu time spent up to now is 207.7 secs Computing kpt #: 208 total cpu time spent up to now is 208.7 secs Computing kpt #: 209 total cpu time spent up to now is 209.8 secs Computing kpt #: 210 total cpu time spent up to now is 210.9 secs Computing kpt #: 211 total cpu time spent up to now is 212.1 secs Computing kpt #: 212 total cpu time spent up to now is 213.1 secs Computing kpt #: 213 total cpu time spent up to now is 214.4 secs Computing kpt #: 214 total cpu time spent up to now is 215.7 secs Computing kpt #: 215 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 217.1 secs Computing kpt #: 216 total cpu time spent up to now is 218.4 secs Computing kpt #: 217 total cpu time spent up to now is 219.3 secs Computing kpt #: 218 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 220.8 secs Computing kpt #: 219 total cpu time spent up to now is 221.9 secs Computing kpt #: 220 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 223.3 secs Computing kpt #: 221 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 224.7 secs Computing kpt #: 222 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 226.2 secs Computing kpt #: 223 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 227.6 secs Computing kpt #: 224 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 229.1 secs Computing kpt #: 225 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 230.5 secs Computing kpt #: 226 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 232.0 secs Computing kpt #: 227 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 233.4 secs Computing kpt #: 228 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 234.8 secs Computing kpt #: 229 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 236.3 secs Computing kpt #: 230 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 237.7 secs Computing kpt #: 231 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 239.1 secs Computing kpt #: 232 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 240.6 secs Computing kpt #: 233 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 242.0 secs Computing kpt #: 234 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 243.4 secs Computing kpt #: 235 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 244.9 secs Computing kpt #: 236 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 246.3 secs Computing kpt #: 237 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 247.8 secs Computing kpt #: 238 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 249.2 secs Computing kpt #: 239 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 250.7 secs Computing kpt #: 240 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 252.2 secs Computing kpt #: 241 total cpu time spent up to now is 253.6 secs Computing kpt #: 242 total cpu time spent up to now is 254.8 secs Computing kpt #: 243 total cpu time spent up to now is 256.2 secs Computing kpt #: 244 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 257.7 secs Computing kpt #: 245 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 259.2 secs Computing kpt #: 246 total cpu time spent up to now is 260.2 secs Computing kpt #: 247 total cpu time spent up to now is 261.3 secs Computing kpt #: 248 total cpu time spent up to now is 262.4 secs Computing kpt #: 249 total cpu time spent up to now is 263.5 secs Computing kpt #: 250 total cpu time spent up to now is 264.5 secs Computing kpt #: 251 total cpu time spent up to now is 265.5 secs Computing kpt #: 252 total cpu time spent up to now is 266.5 secs Computing kpt #: 253 total cpu time spent up to now is 267.4 secs Computing kpt #: 254 total cpu time spent up to now is 268.5 secs ethr = 2.50E-08, avg # of iterations = 70.1 total cpu time spent up to now is 268.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4067 PWs) bands (ev): -32.9939 -32.9939 -32.8698 -32.8698 -32.8698 -32.8698 -14.6840 -14.6840 -14.6840 -14.6840 -14.5444 -14.5444 -14.1041 -14.1041 -13.9365 -13.9365 -13.9365 -13.9365 -13.7838 -13.7838 -13.7753 -13.7753 -13.7753 -13.7753 -3.5035 -3.5035 -2.7444 -2.7444 6.4839 6.4839 6.7864 6.7864 6.7864 6.7864 7.5213 7.5213 8.0073 8.0073 8.2939 8.2939 8.2939 8.2939 8.3194 8.3194 8.3368 8.3368 8.3368 8.3368 k = 0.0000 0.0152-0.0000 ( 4023 PWs) bands (ev): -32.9939 -32.9939 -32.8699 -32.8699 -32.8698 -32.8698 -14.6839 -14.6839 -14.6837 -14.6837 -14.5442 -14.5442 -14.1041 -14.1041 -13.9365 -13.9365 -13.9363 -13.9363 -13.7837 -13.7837 -13.7753 -13.7753 -13.7753 -13.7753 -3.5031 -3.5031 -2.7430 -2.7430 6.4815 6.4815 6.7828 6.7828 6.7861 6.7861 7.5156 7.5156 7.9989 7.9989 8.2525 8.2525 8.2803 8.2803 8.3039 8.3039 8.3627 8.3627 8.3950 8.3950 k = 0.0000 0.0303-0.0000 ( 4015 PWs) bands (ev): -32.9937 -32.9937 -32.8701 -32.8701 -32.8698 -32.8698 -14.6836 -14.6836 -14.6832 -14.6832 -14.5440 -14.5440 -14.1041 -14.1041 -13.9367 -13.9367 -13.9362 -13.9362 -13.7837 -13.7837 -13.7757 -13.7757 -13.7754 -13.7754 -3.5018 -3.5018 -2.7389 -2.7389 6.4742 6.4742 6.7722 6.7722 6.7853 6.7853 7.4985 7.4985 7.9750 7.9750 8.1866 8.1866 8.2674 8.2674 8.3045 8.3045 8.4106 8.4106 8.4641 8.4641 k = 0.0000 0.0455-0.0000 ( 4015 PWs) bands (ev): -32.9934 -32.9934 -32.8705 -32.8705 -32.8698 -32.8698 -14.6834 -14.6834 -14.6824 -14.6824 -14.5437 -14.5437 -14.1042 -14.1042 -13.9372 -13.9372 -13.9362 -13.9362 -13.7839 -13.7839 -13.7764 -13.7764 -13.7756 -13.7756 -3.4996 -3.4996 -2.7321 -2.7321 6.4614 6.4614 6.7557 6.7557 6.7839 6.7839 7.4705 7.4705 7.9393 7.9393 8.1206 8.1206 8.2650 8.2650 8.3068 8.3068 8.4669 8.4669 8.5342 8.5342 k = 0.0000 0.0606-0.0000 ( 4015 PWs) bands (ev): -32.9931 -32.9931 -32.8711 -32.8711 -32.8698 -32.8698 -14.6830 -14.6830 -14.6812 -14.6812 -14.5434 -14.5434 -14.1043 -14.1043 -13.9378 -13.9378 -13.9361 -13.9361 -13.7841 -13.7841 -13.7773 -13.7773 -13.7759 -13.7759 -3.4967 -3.4967 -2.7225 -2.7225 6.4423 6.4423 6.7347 6.7347 6.7820 6.7820 7.4326 7.4326 7.8958 7.8958 8.0555 8.0555 8.2718 8.2718 8.3101 8.3101 8.5282 8.5282 8.6048 8.6048 k = 0.0000 0.0758-0.0000 ( 4027 PWs) bands (ev): -32.9926 -32.9926 -32.8718 -32.8718 -32.8698 -32.8698 -14.6825 -14.6825 -14.6797 -14.6797 -14.5429 -14.5429 -14.1045 -14.1045 -13.9387 -13.9387 -13.9359 -13.9359 -13.7844 -13.7844 -13.7786 -13.7786 -13.7764 -13.7764 -3.4930 -3.4930 -2.7101 -2.7101 6.4159 6.4159 6.7112 6.7112 6.7795 6.7795 7.3859 7.3859 7.8478 7.8478 7.9917 7.9917 8.2857 8.2857 8.3144 8.3144 8.5927 8.5927 8.6756 8.6756 k = 0.0000 0.0909-0.0000 ( 4019 PWs) bands (ev): -32.9921 -32.9921 -32.8727 -32.8727 -32.8698 -32.8698 -14.6818 -14.6818 -14.6779 -14.6779 -14.5423 -14.5423 -14.1047 -14.1047 -13.9397 -13.9397 -13.9357 -13.9357 -13.7848 -13.7848 -13.7800 -13.7800 -13.7768 -13.7768 -3.4886 -3.4886 -2.6951 -2.6951 6.3810 6.3810 6.6868 6.6868 6.7766 6.7766 7.3316 7.3316 7.7973 7.7973 7.9293 7.9293 8.3051 8.3051 8.3196 8.3196 8.6596 8.6596 8.7465 8.7465 k = 0.0000 0.1061-0.0000 ( 4024 PWs) bands (ev): -32.9914 -32.9914 -32.8737 -32.8737 -32.8698 -32.8698 -14.6811 -14.6811 -14.6758 -14.6758 -14.5417 -14.5417 -14.1049 -14.1049 -13.9409 -13.9409 -13.9355 -13.9355 -13.7852 -13.7852 -13.7816 -13.7816 -13.7773 -13.7773 -3.4837 -3.4837 -2.6774 -2.6774 6.3370 6.3370 6.6632 6.6632 6.7731 6.7731 7.2712 7.2712 7.7457 7.7457 7.8684 7.8684 8.3256 8.3256 8.3286 8.3286 8.7279 8.7279 8.8172 8.8172 k = 0.0000 0.1212-0.0000 ( 4024 PWs) bands (ev): -32.9906 -32.9906 -32.8749 -32.8749 -32.8697 -32.8697 -14.6803 -14.6803 -14.6734 -14.6734 -14.5410 -14.5410 -14.1051 -14.1051 -13.9423 -13.9423 -13.9353 -13.9353 -13.7859 -13.7859 -13.7834 -13.7834 -13.7778 -13.7778 -3.4783 -3.4783 -2.6570 -2.6570 6.2837 6.2837 6.6410 6.6410 6.7691 6.7691 7.2061 7.2061 7.6940 7.6940 7.8093 7.8093 8.3325 8.3325 8.3555 8.3555 8.7973 8.7973 8.8876 8.8876 k = 0.0000 0.1364-0.0000 ( 4020 PWs) bands (ev): -32.9897 -32.9897 -32.8762 -32.8762 -32.8697 -32.8697 -14.6794 -14.6794 -14.6707 -14.6707 -14.5403 -14.5403 -14.1052 -14.1052 -13.9439 -13.9439 -13.9351 -13.9351 -13.7866 -13.7866 -13.7854 -13.7854 -13.7782 -13.7782 -3.4724 -3.4724 -2.6341 -2.6341 6.2217 6.2217 6.6204 6.6204 6.7646 6.7646 7.1377 7.1377 7.6428 7.6428 7.7519 7.7519 8.3402 8.3402 8.3850 8.3850 8.8671 8.8671 8.9575 8.9575 k = 0.0000 0.1515-0.0000 ( 4024 PWs) bands (ev): -32.9887 -32.9887 -32.8777 -32.8777 -32.8697 -32.8697 -14.6784 -14.6784 -14.6677 -14.6677 -14.5395 -14.5395 -14.1054 -14.1054 -13.9458 -13.9458 -13.9348 -13.9348 -13.7875 -13.7875 -13.7875 -13.7875 -13.7787 -13.7787 -3.4663 -3.4663 -2.6087 -2.6087 6.1517 6.1517 6.6012 6.6012 6.7597 6.7597 7.0674 7.0674 7.5929 7.5929 7.6964 7.6964 8.3486 8.3486 8.4168 8.4168 8.9370 8.9370 9.0266 9.0266 k = 0.0000 0.1667-0.0000 ( 4044 PWs) bands (ev): -32.9877 -32.9877 -32.8793 -32.8793 -32.8697 -32.8697 -14.6774 -14.6774 -14.6645 -14.6645 -14.5388 -14.5388 -14.1056 -14.1056 -13.9478 -13.9478 -13.9345 -13.9345 -13.7898 -13.7898 -13.7885 -13.7885 -13.7792 -13.7792 -3.4599 -3.4599 -2.5809 -2.5809 6.0746 6.0746 6.5829 6.5829 6.7544 6.7544 6.9963 6.9963 7.5445 7.5445 7.6429 7.6429 8.3577 8.3577 8.4504 8.4504 9.0068 9.0068 9.0616 9.0616 k = 0.0000 0.1818-0.0000 ( 4044 PWs) bands (ev): -32.9865 -32.9865 -32.8810 -32.8810 -32.8697 -32.8697 -14.6763 -14.6763 -14.6610 -14.6610 -14.5381 -14.5381 -14.1057 -14.1057 -13.9499 -13.9499 -13.9342 -13.9342 -13.7922 -13.7922 -13.7897 -13.7897 -13.7795 -13.7795 -3.4534 -3.4534 -2.5508 -2.5508 5.9915 5.9915 6.5652 6.5652 6.7486 6.7486 6.9257 6.9257 7.4981 7.4981 7.5915 7.5915 8.3674 8.3674 8.4857 8.4857 9.0760 9.0760 9.0977 9.0977 k = 0.0000 0.1970-0.0000 ( 4052 PWs) bands (ev): -32.9852 -32.9852 -32.8829 -32.8829 -32.8697 -32.8697 -14.6752 -14.6752 -14.6573 -14.6573 -14.5374 -14.5374 -14.1057 -14.1057 -13.9523 -13.9523 -13.9339 -13.9339 -13.7947 -13.7947 -13.7910 -13.7910 -13.7799 -13.7799 -3.4468 -3.4468 -2.5187 -2.5187 5.9032 5.9032 6.5477 6.5477 6.7425 6.7425 6.8565 6.8565 7.4539 7.4539 7.5423 7.5423 8.3776 8.3776 8.5224 8.5224 9.1364 9.1364 9.1444 9.1444 k = 0.0000 0.2121-0.0000 ( 4052 PWs) bands (ev): -32.9839 -32.9839 -32.8848 -32.8848 -32.8697 -32.8697 -14.6740 -14.6740 -14.6534 -14.6534 -14.5367 -14.5367 -14.1057 -14.1057 -13.9549 -13.9549 -13.9335 -13.9335 -13.7972 -13.7972 -13.7923 -13.7923 -13.7801 -13.7801 -3.4402 -3.4402 -2.4846 -2.4846 5.8107 5.8107 6.5300 6.5300 6.7360 6.7360 6.7896 6.7896 7.4121 7.4121 7.4953 7.4953 8.3884 8.3884 8.5605 8.5605 9.1776 9.1776 9.2118 9.2118 k = 0.0000 0.2273-0.0000 ( 4052 PWs) bands (ev): -32.9824 -32.9824 -32.8869 -32.8869 -32.8697 -32.8697 -14.6728 -14.6728 -14.6493 -14.6493 -14.5362 -14.5362 -14.1055 -14.1055 -13.9576 -13.9576 -13.9330 -13.9330 -13.7998 -13.7998 -13.7938 -13.7938 -13.7804 -13.7804 -3.4337 -3.4337 -2.4489 -2.4489 5.7150 5.7150 6.5119 6.5119 6.7258 6.7258 6.7292 6.7292 7.3727 7.3727 7.4508 7.4508 8.3995 8.3995 8.5996 8.5996 9.2211 9.2211 9.2779 9.2779 k = 0.0000 0.2424-0.0000 ( 4052 PWs) bands (ev): -32.9809 -32.9809 -32.8890 -32.8890 -32.8697 -32.8697 -14.6716 -14.6716 -14.6450 -14.6450 -14.5357 -14.5357 -14.1053 -14.1053 -13.9605 -13.9605 -13.9326 -13.9326 -13.8023 -13.8023 -13.7953 -13.7953 -13.7806 -13.7806 -3.4273 -3.4273 -2.4118 -2.4118 5.6171 5.6171 6.4929 6.4929 6.6659 6.6659 6.7222 6.7222 7.3359 7.3359 7.4086 7.4086 8.4109 8.4109 8.6398 8.6398 9.2667 9.2667 9.3423 9.3423 k = 0.0000 0.2576-0.0000 ( 4060 PWs) bands (ev): -32.9792 -32.9792 -32.8913 -32.8913 -32.8697 -32.8697 -14.6704 -14.6704 -14.6405 -14.6405 -14.5354 -14.5354 -14.1050 -14.1050 -13.9636 -13.9636 -13.9322 -13.9322 -13.8048 -13.8048 -13.7969 -13.7969 -13.7808 -13.7808 -3.4211 -3.4211 -2.3736 -2.3736 5.5179 5.5179 6.4722 6.4722 6.6109 6.6109 6.7149 6.7149 7.3016 7.3016 7.3688 7.3688 8.4226 8.4226 8.6807 8.6807 9.3142 9.3142 9.4049 9.4049 k = 0.0000 0.2727-0.0000 ( 4060 PWs) bands (ev): -32.9775 -32.9775 -32.8936 -32.8936 -32.8697 -32.8697 -14.6691 -14.6691 -14.6359 -14.6359 -14.5352 -14.5352 -14.1045 -14.1045 -13.9668 -13.9668 -13.9317 -13.9317 -13.8073 -13.8073 -13.7985 -13.7985 -13.7810 -13.7810 -3.4151 -3.4151 -2.3345 -2.3345 5.4184 5.4184 6.4489 6.4489 6.5622 6.5622 6.7074 6.7074 7.2700 7.2700 7.3316 7.3316 8.4343 8.4343 8.7221 8.7221 9.3633 9.3633 9.4653 9.4653 k = 0.0000 0.2879-0.0000 ( 4052 PWs) bands (ev): -32.9757 -32.9757 -32.8960 -32.8960 -32.8697 -32.8697 -14.6679 -14.6679 -14.6311 -14.6311 -14.5352 -14.5352 -14.1039 -14.1039 -13.9702 -13.9702 -13.9312 -13.9312 -13.8097 -13.8097 -13.8001 -13.8001 -13.7811 -13.7811 -3.4094 -3.4094 -2.2951 -2.2951 5.3196 5.3196 6.4217 6.4217 6.5211 6.5211 6.6998 6.6998 7.2408 7.2408 7.2970 7.2970 8.4460 8.4460 8.7640 8.7640 9.4138 9.4138 9.5235 9.5235 k = 0.0000 0.3030-0.0000 ( 4064 PWs) bands (ev): -32.9739 -32.9739 -32.8984 -32.8984 -32.8697 -32.8697 -14.6667 -14.6667 -14.6263 -14.6263 -14.5354 -14.5354 -14.1033 -14.1033 -13.9736 -13.9736 -13.9308 -13.9308 -13.8121 -13.8121 -13.8017 -13.8017 -13.7813 -13.7813 -3.4040 -3.4040 -2.2556 -2.2556 5.2226 5.2226 6.3900 6.3900 6.4884 6.4884 6.6922 6.6922 7.2141 7.2141 7.2649 7.2649 8.4576 8.4576 8.8059 8.8059 9.4652 9.4652 9.5789 9.5789 k = 0.0000 0.3182-0.0000 ( 4056 PWs) bands (ev): -32.9720 -32.9720 -32.9008 -32.9008 -32.8696 -32.8696 -14.6655 -14.6655 -14.6214 -14.6214 -14.5358 -14.5358 -14.1024 -14.1024 -13.9771 -13.9771 -13.9302 -13.9302 -13.8143 -13.8143 -13.8033 -13.8033 -13.7814 -13.7814 -3.3988 -3.3988 -2.2164 -2.2164 5.1282 5.1282 6.3553 6.3553 6.4628 6.4628 6.6846 6.6846 7.1898 7.1898 7.2354 7.2354 8.4690 8.4690 8.8475 8.8475 9.5172 9.5172 9.6316 9.6316 k = 0.0000 0.3333-0.0000 ( 4048 PWs) bands (ev): -32.9701 -32.9701 -32.9033 -32.9033 -32.8696 -32.8696 -14.6644 -14.6644 -14.6164 -14.6164 -14.5365 -14.5365 -14.1015 -14.1015 -13.9806 -13.9806 -13.9297 -13.9297 -13.8164 -13.8164 -13.8049 -13.8049 -13.7815 -13.7815 -3.3941 -3.3941 -2.1781 -2.1781 5.0374 5.0374 6.3200 6.3200 6.4420 6.4420 6.6771 6.6771 7.1679 7.1679 7.2085 7.2085 8.4801 8.4801 8.8886 8.8886 9.5693 9.5693 9.6811 9.6811 k = 0.0000 0.3485-0.0000 ( 4048 PWs) bands (ev): -32.9681 -32.9681 -32.9058 -32.9058 -32.8696 -32.8696 -14.6634 -14.6634 -14.6114 -14.6114 -14.5374 -14.5374 -14.1004 -14.1004 -13.9842 -13.9842 -13.9293 -13.9293 -13.8184 -13.8184 -13.8063 -13.8063 -13.7817 -13.7817 -3.3897 -3.3897 -2.1410 -2.1410 4.9511 4.9511 6.2859 6.2859 6.4245 6.4245 6.6698 6.6698 7.1482 7.1482 7.1841 7.1841 8.4907 8.4907 8.9286 8.9286 9.6209 9.6209 9.7273 9.7273 k = 0.0000 0.3636-0.0000 ( 4056 PWs) bands (ev): -32.9661 -32.9661 -32.9083 -32.9083 -32.8696 -32.8696 -14.6624 -14.6624 -14.6065 -14.6065 -14.5385 -14.5385 -14.0993 -14.0993 -13.9877 -13.9877 -13.9289 -13.9289 -13.8202 -13.8202 -13.8077 -13.8077 -13.7818 -13.7818 -3.3856 -3.3856 -2.1055 -2.1055 4.8701 4.8701 6.2539 6.2539 6.4092 6.4092 6.6628 6.6628 7.1307 7.1307 7.1623 7.1623 8.5007 8.5007 8.9672 8.9672 9.6716 9.6716 9.7698 9.7698 k = 0.0000 0.3788-0.0000 ( 4056 PWs) bands (ev): -32.9640 -32.9640 -32.9108 -32.9108 -32.8696 -32.8696 -14.6615 -14.6615 -14.6016 -14.6016 -14.5399 -14.5399 -14.0980 -14.0980 -13.9911 -13.9911 -13.9284 -13.9284 -13.8218 -13.8218 -13.8091 -13.8091 -13.7819 -13.7819 -3.3820 -3.3820 -2.0723 -2.0723 4.7952 4.7952 6.2248 6.2248 6.3957 6.3957 6.6561 6.6561 7.1152 7.1152 7.1429 7.1429 8.5100 8.5100 9.0039 9.0039 9.7205 9.7205 9.8086 9.8086 k = 0.0000 0.3939-0.0000 ( 4072 PWs) bands (ev): -32.9620 -32.9620 -32.9132 -32.9132 -32.8696 -32.8696 -14.6607 -14.6607 -14.5968 -14.5968 -14.5416 -14.5416 -14.0968 -14.0968 -13.9944 -13.9944 -13.9281 -13.9281 -13.8233 -13.8233 -13.8103 -13.8103 -13.7820 -13.7820 -3.3787 -3.3787 -2.0416 -2.0416 4.7272 4.7272 6.1987 6.1987 6.3838 6.3838 6.6499 6.6499 7.1018 7.1018 7.1260 7.1260 8.5186 8.5186 9.0381 9.0381 9.7668 9.7668 9.8433 9.8433 k = 0.0000 0.4091-0.0000 ( 4072 PWs) bands (ev): -32.9601 -32.9601 -32.9155 -32.9155 -32.8696 -32.8696 -14.6600 -14.6600 -14.5920 -14.5920 -14.5435 -14.5435 -14.0955 -14.0955 -13.9975 -13.9975 -13.9277 -13.9277 -13.8245 -13.8245 -13.8114 -13.8114 -13.7821 -13.7821 -3.3759 -3.3759 -2.0140 -2.0140 4.6668 4.6668 6.1760 6.1760 6.3735 6.3735 6.6444 6.6444 7.0903 7.0903 7.1115 7.1115 8.5262 8.5262 9.0693 9.0693 9.8099 9.8099 9.8739 9.8739 k = 0.0000 0.4242-0.0000 ( 4072 PWs) bands (ev): -32.9582 -32.9582 -32.9177 -32.9177 -32.8696 -32.8696 -14.6594 -14.6594 -14.5875 -14.5875 -14.5456 -14.5456 -14.0943 -14.0943 -14.0002 -14.0002 -13.9274 -13.9274 -13.8256 -13.8256 -13.8123 -13.8123 -13.7822 -13.7822 -3.3735 -3.3735 -1.9898 -1.9898 4.6145 4.6145 6.1566 6.1566 6.3647 6.3647 6.6395 6.6395 7.0807 7.0807 7.0993 7.0993 8.5328 8.5328 9.0970 9.0970 9.8486 9.8486 9.9001 9.9001 k = 0.0000 0.4394-0.0000 ( 4068 PWs) bands (ev): -32.9565 -32.9565 -32.9196 -32.9196 -32.8696 -32.8696 -14.6588 -14.6588 -14.5832 -14.5832 -14.5479 -14.5479 -14.0932 -14.0932 -14.0026 -14.0026 -13.9271 -13.9271 -13.8265 -13.8265 -13.8131 -13.8131 -13.7822 -13.7822 -3.3715 -3.3715 -1.9695 -1.9695 4.5709 4.5709 6.1407 6.1407 6.3574 6.3574 6.6353 6.6353 7.0729 7.0729 7.0894 7.0894 8.5384 8.5384 9.1206 9.1206 9.8820 9.8820 9.9217 9.9217 k = 0.0000 0.4545-0.0000 ( 4088 PWs) bands (ev): -32.9550 -32.9550 -32.9213 -32.9213 -32.8697 -32.8697 -14.6585 -14.6585 -14.5793 -14.5793 -14.5503 -14.5503 -14.0923 -14.0923 -14.0046 -14.0046 -13.9270 -13.9270 -13.8272 -13.8272 -13.8138 -13.8138 -13.7823 -13.7823 -3.3700 -3.3700 -1.9533 -1.9533 4.5365 4.5365 6.1283 6.1283 6.3517 6.3517 6.6320 6.6320 7.0669 7.0669 7.0818 7.0818 8.5428 8.5428 9.1395 9.1395 9.9093 9.9093 9.9386 9.9386 k = 0.0000 0.4697-0.0000 ( 4088 PWs) bands (ev): -32.9539 -32.9539 -32.9226 -32.9226 -32.8696 -32.8696 -14.6582 -14.6582 -14.5759 -14.5759 -14.5525 -14.5525 -14.0916 -14.0916 -14.0061 -14.0061 -13.9268 -13.9268 -13.8277 -13.8277 -13.8142 -13.8142 -13.7823 -13.7823 -3.3689 -3.3689 -1.9415 -1.9415 4.5117 4.5117 6.1194 6.1194 6.3477 6.3477 6.6296 6.6296 7.0627 7.0627 7.0763 7.0763 8.5460 8.5460 9.1534 9.1534 9.9294 9.9294 9.9508 9.9508 k = 0.0000 0.4848-0.0000 ( 4080 PWs) bands (ev): -32.9531 -32.9531 -32.9234 -32.9234 -32.8696 -32.8696 -14.6580 -14.6580 -14.5735 -14.5735 -14.5543 -14.5543 -14.0911 -14.0911 -14.0070 -14.0070 -13.9267 -13.9267 -13.8280 -13.8280 -13.8145 -13.8145 -13.7823 -13.7823 -3.3682 -3.3682 -1.9344 -1.9344 4.4967 4.4967 6.1141 6.1141 6.3452 6.3452 6.6281 6.6281 7.0601 7.0601 7.0731 7.0731 8.5480 8.5480 9.1618 9.1618 9.9418 9.9418 9.9582 9.9582 k = 0.0000 0.5000-0.0000 ( 4068 PWs) bands (ev): -32.9528 -32.9528 -32.9237 -32.9237 -32.8696 -32.8696 -14.6579 -14.6579 -14.5725 -14.5725 -14.5550 -14.5550 -14.0909 -14.0909 -14.0073 -14.0073 -13.9267 -13.9267 -13.8280 -13.8280 -13.8145 -13.8145 -13.7823 -13.7823 -3.3680 -3.3680 -1.9320 -1.9320 4.4916 4.4916 6.1123 6.1123 6.3444 6.3444 6.6277 6.6277 7.0593 7.0593 7.0720 7.0720 8.5486 8.5486 9.1647 9.1647 9.9460 9.9460 9.9606 9.9606 k = 0.0000 0.5000-0.0000 ( 4068 PWs) bands (ev): -32.9528 -32.9528 -32.9237 -32.9237 -32.8696 -32.8696 -14.6579 -14.6579 -14.5725 -14.5725 -14.5550 -14.5550 -14.0909 -14.0909 -14.0073 -14.0073 -13.9267 -13.9267 -13.8280 -13.8280 -13.8145 -13.8145 -13.7823 -13.7823 -3.3680 -3.3680 -1.9320 -1.9320 4.4916 4.4916 6.1123 6.1123 6.3444 6.3444 6.6277 6.6277 7.0593 7.0593 7.0720 7.0720 8.5486 8.5486 9.1647 9.1647 9.9460 9.9460 9.9606 9.9606 k = 0.0152 0.5000-0.0000 ( 4076 PWs) bands (ev): -32.9528 -32.9528 -32.9237 -32.9237 -32.8697 -32.8697 -14.6591 -14.6591 -14.5772 -14.5772 -14.5490 -14.5490 -14.0909 -14.0909 -14.0073 -14.0073 -13.9268 -13.9268 -13.8285 -13.8285 -13.8141 -13.8141 -13.7822 -13.7822 -3.3679 -3.3679 -1.9302 -1.9302 4.4901 4.4901 6.1080 6.1080 6.3444 6.3444 6.6260 6.6260 7.0594 7.0594 7.0721 7.0721 8.5511 8.5511 9.1641 9.1641 9.9364 9.9364 9.9664 9.9665 k = 0.0303 0.5000-0.0000 ( 4080 PWs) bands (ev): -32.9527 -32.9527 -32.9237 -32.9237 -32.8699 -32.8699 -14.6628 -14.6628 -14.5847 -14.5847 -14.5377 -14.5377 -14.0909 -14.0909 -14.0071 -14.0071 -13.9271 -13.9271 -13.8297 -13.8297 -13.8130 -13.8130 -13.7819 -13.7819 -3.3677 -3.3677 -1.9250 -1.9250 4.4857 4.4857 6.0952 6.0952 6.3444 6.3444 6.6211 6.6211 7.0596 7.0596 7.0723 7.0723 8.5588 8.5588 9.1623 9.1623 9.9254 9.9254 9.9664 9.9664 k = 0.0455 0.5000-0.0000 ( 4072 PWs) bands (ev): -32.9525 -32.9525 -32.9237 -32.9237 -32.8702 -32.8702 -14.6687 -14.6687 -14.5911 -14.5911 -14.5251 -14.5251 -14.0908 -14.0908 -14.0069 -14.0069 -13.9276 -13.9276 -13.8314 -13.8314 -13.8115 -13.8115 -13.7813 -13.7813 -3.3674 -3.3674 -1.9164 -1.9164 4.4783 4.4783 6.0737 6.0737 6.3444 6.3444 6.6134 6.6134 7.0601 7.0601 7.0727 7.0727 8.5715 8.5715 9.1597 9.1597 9.9186 9.9186 9.9622 9.9622 k = 0.0606 0.5000-0.0000 ( 4076 PWs) bands (ev): -32.9523 -32.9523 -32.9237 -32.9237 -32.8706 -32.8706 -14.6767 -14.6767 -14.5959 -14.5959 -14.5119 -14.5119 -14.0908 -14.0908 -14.0065 -14.0065 -13.9282 -13.9282 -13.8332 -13.8332 -13.8099 -13.8099 -13.7805 -13.7805 -3.3670 -3.3670 -1.9044 -1.9044 4.4681 4.4681 6.0435 6.0435 6.3443 6.3443 6.6036 6.6036 7.0605 7.0605 7.0731 7.0731 8.5891 8.5891 9.1567 9.1567 9.9164 9.9164 9.9558 9.9558 k = 0.0758 0.5000-0.0000 ( 4076 PWs) bands (ev): -32.9520 -32.9520 -32.9237 -32.9237 -32.8711 -32.8711 -14.6865 -14.6865 -14.5992 -14.5992 -14.4984 -14.4984 -14.0907 -14.0907 -14.0061 -14.0061 -13.9291 -13.9291 -13.8352 -13.8352 -13.8085 -13.8085 -13.7793 -13.7793 -3.3665 -3.3665 -1.8890 -1.8890 4.4552 4.4552 6.0046 6.0046 6.3436 6.3436 6.5925 6.5925 7.0609 7.0609 7.0734 7.0734 8.6111 8.6111 9.1540 9.1540 9.9186 9.9186 9.9476 9.9476 k = 0.0909 0.5000-0.0000 ( 4070 PWs) bands (ev): -32.9517 -32.9517 -32.9237 -32.9237 -32.8718 -32.8718 -14.6975 -14.6975 -14.6012 -14.6012 -14.4849 -14.4849 -14.0905 -14.0905 -14.0056 -14.0056 -13.9301 -13.9301 -13.8371 -13.8371 -13.8072 -13.8072 -13.7777 -13.7777 -3.3659 -3.3659 -1.8703 -1.8703 4.4399 4.4399 5.9573 5.9573 6.3418 6.3418 6.5814 6.5814 7.0613 7.0613 7.0735 7.0735 8.6375 8.6375 9.1523 9.1523 9.9244 9.9244 9.9385 9.9386 k = 0.1061 0.5000-0.0000 ( 4054 PWs) bands (ev): -32.9512 -32.9512 -32.9237 -32.9237 -32.8726 -32.8726 -14.7092 -14.7092 -14.6022 -14.6022 -14.4715 -14.4715 -14.0903 -14.0903 -14.0050 -14.0050 -13.9312 -13.9312 -13.8390 -13.8390 -13.8063 -13.8063 -13.7757 -13.7757 -3.3652 -3.3652 -1.8485 -1.8485 4.4223 4.4223 5.9019 5.9019 6.3382 6.3382 6.5715 6.5715 7.0614 7.0614 7.0733 7.0733 8.6678 8.6678 9.1522 9.1522 9.9239 9.9239 9.9384 9.9384 k = 0.1212 0.5000-0.0000 ( 4060 PWs) bands (ev): -32.9507 -32.9507 -32.9237 -32.9237 -32.8734 -32.8734 -14.7214 -14.7214 -14.6027 -14.6027 -14.4583 -14.4583 -14.0899 -14.0899 -14.0044 -14.0044 -13.9325 -13.9325 -13.8409 -13.8409 -13.8057 -13.8057 -13.7733 -13.7733 -3.3644 -3.3644 -1.8235 -1.8235 4.4026 4.4026 5.8389 5.8389 6.3318 6.3318 6.5640 6.5640 7.0612 7.0612 7.0728 7.0728 8.7016 8.7016 9.1540 9.1540 9.9122 9.9122 9.9518 9.9518 k = 0.1364 0.5000-0.0000 ( 4056 PWs) bands (ev): -32.9502 -32.9502 -32.9237 -32.9237 -32.8744 -32.8744 -14.7338 -14.7338 -14.6027 -14.6027 -14.4455 -14.4455 -14.0893 -14.0893 -14.0037 -14.0037 -13.9339 -13.9339 -13.8427 -13.8427 -13.8055 -13.8055 -13.7706 -13.7706 -3.3635 -3.3635 -1.7955 -1.7955 4.3812 4.3812 5.7688 5.7688 6.3220 6.3220 6.5601 6.5601 7.0603 7.0603 7.0719 7.0719 8.7386 8.7386 9.1585 9.1585 9.8986 9.8986 9.9694 9.9694 k = 0.1515 0.5000-0.0000 ( 4060 PWs) bands (ev): -32.9495 -32.9495 -32.9237 -32.9237 -32.8755 -32.8755 -14.7462 -14.7462 -14.6023 -14.6023 -14.4330 -14.4330 -14.0886 -14.0886 -14.0030 -14.0030 -13.9355 -13.9355 -13.8445 -13.8445 -13.8055 -13.8055 -13.7677 -13.7677 -3.3625 -3.3625 -1.7647 -1.7647 4.3581 4.3581 5.6924 5.6924 6.3085 6.3085 6.5604 6.5604 7.0585 7.0585 7.0710 7.0710 8.7783 8.7783 9.1659 9.1659 9.8840 9.8840 9.9903 9.9903 k = 0.1667 0.5000-0.0000 ( 4076 PWs) bands (ev): -32.9488 -32.9488 -32.9237 -32.9237 -32.8767 -32.8767 -14.7586 -14.7586 -14.6016 -14.6016 -14.4211 -14.4211 -14.0877 -14.0877 -14.0022 -14.0022 -13.9372 -13.9372 -13.8462 -13.8462 -13.8059 -13.8059 -13.7645 -13.7645 -3.3615 -3.3615 -1.7313 -1.7313 4.3338 4.3338 5.6104 5.6104 6.2915 6.2915 6.5647 6.5647 7.0552 7.0552 7.0704 7.0704 8.8205 8.8205 9.1763 9.1763 9.8687 9.8687 10.0142 10.0142 k = 0.1818 0.5000-0.0000 ( 4070 PWs) bands (ev): -32.9481 -32.9481 -32.9237 -32.9237 -32.8780 -32.8780 -14.7707 -14.7707 -14.6007 -14.6007 -14.4096 -14.4096 -14.0864 -14.0864 -14.0013 -14.0013 -13.9389 -13.9389 -13.8477 -13.8477 -13.8064 -13.8064 -13.7612 -13.7612 -3.3604 -3.3604 -1.6953 -1.6953 4.3084 4.3084 5.5236 5.5236 6.2716 6.2716 6.5729 6.5729 7.0505 7.0505 7.0700 7.0700 8.8648 8.8648 9.1900 9.1900 9.8528 9.8528 10.0406 10.0406 k = 0.1970 0.5000-0.0000 ( 4062 PWs) bands (ev): -32.9473 -32.9473 -32.9236 -32.9236 -32.8793 -32.8793 -14.7825 -14.7825 -14.5996 -14.5996 -14.3988 -14.3988 -14.0849 -14.0849 -14.0004 -14.0004 -13.9408 -13.9408 -13.8492 -13.8492 -13.8072 -13.8072 -13.7577 -13.7577 -3.3592 -3.3592 -1.6569 -1.6569 4.2822 4.2822 5.4328 5.4328 6.2496 6.2496 6.5842 6.5842 7.0442 7.0442 7.0700 7.0700 8.9107 8.9107 9.2069 9.2069 9.8367 9.8367 10.0694 10.0694 k = 0.2121 0.5000-0.0000 ( 4064 PWs) bands (ev): -32.9464 -32.9464 -32.9236 -32.9236 -32.8808 -32.8808 -14.7940 -14.7940 -14.5984 -14.5984 -14.3886 -14.3886 -14.0831 -14.0831 -13.9995 -13.9995 -13.9427 -13.9427 -13.8506 -13.8506 -13.8081 -13.8081 -13.7542 -13.7542 -3.3580 -3.3580 -1.6166 -1.6166 4.2554 4.2554 5.3390 5.3390 6.2261 6.2261 6.5981 6.5981 7.0367 7.0367 7.0701 7.0701 8.9580 8.9580 9.2269 9.2269 9.8203 9.8203 10.1003 10.1003 k = 0.2273 0.5000-0.0000 ( 4066 PWs) bands (ev): -32.9454 -32.9454 -32.9236 -32.9236 -32.8823 -32.8823 -14.8051 -14.8051 -14.5971 -14.5971 -14.3791 -14.3791 -14.0810 -14.0810 -13.9986 -13.9986 -13.9448 -13.9448 -13.8519 -13.8519 -13.8091 -13.8091 -13.7507 -13.7507 -3.3568 -3.3568 -1.5743 -1.5743 4.2281 4.2281 5.2430 5.2430 6.2017 6.2017 6.6140 6.6140 7.0280 7.0280 7.0704 7.0704 9.0063 9.0063 9.2499 9.2499 9.8039 9.8039 10.1329 10.1329 k = 0.2424 0.5000-0.0000 ( 4072 PWs) bands (ev): -32.9444 -32.9444 -32.9236 -32.9236 -32.8839 -32.8839 -14.8158 -14.8158 -14.5958 -14.5958 -14.3703 -14.3703 -14.0785 -14.0785 -13.9976 -13.9976 -13.9469 -13.9469 -13.8531 -13.8531 -13.8103 -13.8103 -13.7472 -13.7472 -3.3555 -3.3555 -1.5306 -1.5306 4.2006 4.2006 5.1457 5.1457 6.1770 6.1770 6.6314 6.6314 7.0182 7.0182 7.0707 7.0707 9.0551 9.0551 9.2754 9.2754 9.7877 9.7877 10.1670 10.1670 k = 0.2576 0.5000-0.0000 ( 4072 PWs) bands (ev): -32.9434 -32.9434 -32.9236 -32.9236 -32.8856 -32.8856 -14.8260 -14.8260 -14.5943 -14.5943 -14.3622 -14.3622 -14.0758 -14.0758 -13.9966 -13.9966 -13.9491 -13.9491 -13.8541 -13.8541 -13.8116 -13.8116 -13.7438 -13.7438 -3.3543 -3.3543 -1.4856 -1.4856 4.1730 4.1730 5.0481 5.0481 6.1524 6.1524 6.6500 6.6500 7.0077 7.0077 7.0711 7.0711 9.1043 9.1043 9.3034 9.3034 9.7717 9.7717 10.2024 10.2024 k = 0.2727 0.5000-0.0000 ( 4070 PWs) bands (ev): -32.9422 -32.9422 -32.9236 -32.9236 -32.8873 -32.8873 -14.8357 -14.8357 -14.5929 -14.5929 -14.3548 -14.3548 -14.0727 -14.0727 -13.9956 -13.9956 -13.9513 -13.9513 -13.8551 -13.8551 -13.8130 -13.8130 -13.7405 -13.7405 -3.3531 -3.3531 -1.4397 -1.4397 4.1454 4.1454 4.9510 4.9510 6.1281 6.1281 6.6693 6.6693 6.9966 6.9966 7.0715 7.0715 9.1534 9.1534 9.3332 9.3332 9.7562 9.7562 10.2386 10.2386 k = 0.2879 0.5000-0.0000 ( 4074 PWs) bands (ev): -32.9410 -32.9410 -32.9236 -32.9236 -32.8890 -32.8890 -14.8449 -14.8449 -14.5914 -14.5914 -14.3482 -14.3482 -14.0693 -14.0693 -13.9947 -13.9947 -13.9536 -13.9536 -13.8559 -13.8559 -13.8144 -13.8144 -13.7372 -13.7372 -3.3518 -3.3518 -1.3933 -1.3933 4.1179 4.1179 4.8555 4.8555 6.1045 6.1045 6.6890 6.6890 6.9852 6.9852 7.0718 7.0718 9.2020 9.2020 9.3645 9.3645 9.7412 9.7412 10.2753 10.2753 k = 0.3030 0.5000-0.0000 ( 4074 PWs) bands (ev): -32.9398 -32.9398 -32.9236 -32.9236 -32.8909 -32.8909 -14.8536 -14.8536 -14.5900 -14.5900 -14.3422 -14.3422 -14.0657 -14.0657 -13.9937 -13.9937 -13.9560 -13.9560 -13.8566 -13.8566 -13.8159 -13.8159 -13.7341 -13.7341 -3.3506 -3.3506 -1.3468 -1.3468 4.0905 4.0905 4.7625 4.7625 6.0818 6.0818 6.7089 6.7089 6.9735 6.9735 7.0722 7.0722 9.2499 9.2499 9.3969 9.3969 9.7268 9.7268 10.3123 10.3123 k = 0.3182 0.5000-0.0000 ( 4070 PWs) bands (ev): -32.9385 -32.9385 -32.9236 -32.9236 -32.8927 -32.8927 -14.8616 -14.8616 -14.5885 -14.5885 -14.3370 -14.3370 -14.0618 -14.0618 -13.9928 -13.9928 -13.9584 -13.9584 -13.8572 -13.8572 -13.8174 -13.8174 -13.7312 -13.7312 -3.3495 -3.3495 -1.3007 -1.3007 4.0633 4.0633 4.6730 4.6730 6.0602 6.0602 6.7285 6.7285 6.9620 6.9620 7.0726 7.0726 9.2967 9.2967 9.4298 9.4298 9.7132 9.7132 10.3491 10.3491 k = 0.3333 0.5000-0.0000 ( 4082 PWs) bands (ev): -32.9371 -32.9371 -32.9236 -32.9236 -32.8946 -32.8946 -14.8692 -14.8692 -14.5872 -14.5872 -14.3324 -14.3324 -14.0578 -14.0578 -13.9919 -13.9919 -13.9609 -13.9609 -13.8576 -13.8576 -13.8190 -13.8190 -13.7284 -13.7284 -3.3483 -3.3483 -1.2554 -1.2554 4.0362 4.0362 4.5881 4.5881 6.0399 6.0399 6.7476 6.7476 6.9507 6.9507 7.0730 7.0730 9.3419 9.3419 9.4627 9.4627 9.7004 9.7004 10.3852 10.3852 k = 0.3485 0.5000-0.0000 ( 4078 PWs) bands (ev): -32.9358 -32.9358 -32.9235 -32.9235 -32.8964 -32.8964 -14.8761 -14.8761 -14.5859 -14.5859 -14.3283 -14.3283 -14.0536 -14.0536 -13.9911 -13.9911 -13.9634 -13.9634 -13.8579 -13.8579 -13.8206 -13.8206 -13.7258 -13.7258 -3.3473 -3.3473 -1.2114 -1.2114 4.0091 4.0091 4.5088 4.5088 6.0209 6.0209 6.7660 6.7660 6.9399 6.9399 7.0733 7.0733 9.3853 9.3853 9.4952 9.4952 9.6886 9.6886 10.4204 10.4204 k = 0.3636 0.5000-0.0000 ( 4082 PWs) bands (ev): -32.9343 -32.9343 -32.9235 -32.9235 -32.8983 -32.8983 -14.8824 -14.8824 -14.5847 -14.5847 -14.3249 -14.3249 -14.0494 -14.0494 -13.9903 -13.9903 -13.9660 -13.9660 -13.8582 -13.8582 -13.8221 -13.8221 -13.7234 -13.7234 -3.3463 -3.3463 -1.1693 -1.1693 3.9819 3.9819 4.4362 4.4362 6.0034 6.0034 6.7832 6.7832 6.9298 6.9298 7.0737 7.0737 9.4263 9.4263 9.5266 9.5266 9.6777 9.6777 10.4541 10.4544 k = 0.3788 0.5000-0.0000 ( 4074 PWs) bands (ev): -32.9329 -32.9329 -32.9235 -32.9235 -32.9002 -32.9002 -14.8880 -14.8880 -14.5835 -14.5835 -14.3219 -14.3219 -14.0451 -14.0451 -13.9896 -13.9896 -13.9685 -13.9685 -13.8582 -13.8582 -13.8236 -13.8236 -13.7212 -13.7212 -3.3454 -3.3454 -1.1296 -1.1296 3.9547 3.9547 4.3711 4.3711 5.9875 5.9875 6.7991 6.7991 6.9207 6.9207 7.0740 7.0740 9.4646 9.4646 9.5563 9.5563 9.6681 9.6681 10.4858 10.4863 k = 0.3939 0.5000-0.0000 ( 4078 PWs) bands (ev): -32.9314 -32.9314 -32.9235 -32.9235 -32.9021 -32.9021 -14.8931 -14.8931 -14.5825 -14.5825 -14.3194 -14.3194 -14.0410 -14.0410 -13.9890 -13.9890 -13.9710 -13.9710 -13.8582 -13.8582 -13.8251 -13.8251 -13.7192 -13.7192 -3.3446 -3.3446 -1.0928 -1.0928 3.9276 3.9276 4.3142 4.3142 5.9733 5.9733 6.8132 6.8132 6.9128 6.9128 7.0742 7.0742 9.4997 9.4997 9.5838 9.5838 9.6598 9.6598 10.5151 10.5168 k = 0.4091 0.5000-0.0000 ( 4070 PWs) bands (ev): -32.9299 -32.9299 -32.9235 -32.9235 -32.9039 -32.9039 -14.8974 -14.8974 -14.5815 -14.5815 -14.3173 -14.3173 -14.0369 -14.0369 -13.9886 -13.9886 -13.9734 -13.9734 -13.8581 -13.8581 -13.8265 -13.8265 -13.7175 -13.7175 -3.3438 -3.3438 -1.0596 -1.0596 3.9011 3.9011 4.2661 4.2661 5.9608 5.9608 6.8251 6.8251 6.9064 6.9064 7.0745 7.0745 9.5312 9.5312 9.6079 9.6079 9.6535 9.6535 10.5421 10.5495 k = 0.4242 0.5000-0.0000 ( 4072 PWs) bands (ev): -32.9284 -32.9284 -32.9235 -32.9235 -32.9057 -32.9057 -14.9011 -14.9011 -14.5807 -14.5807 -14.3157 -14.3157 -14.0331 -14.0331 -13.9884 -13.9884 -13.9756 -13.9756 -13.8579 -13.8579 -13.8278 -13.8278 -13.7160 -13.7160 -3.3432 -3.3432 -1.0304 -1.0304 3.8758 3.8758 4.2266 4.2266 5.9502 5.9502 6.8346 6.8346 6.9018 6.9018 7.0747 7.0747 9.5587 9.5587 9.6257 9.6257 9.6517 9.6517 10.5646 10.5670 k = 0.4394 0.5000-0.0000 ( 4072 PWs) bands (ev): -32.9270 -32.9270 -32.9234 -32.9234 -32.9073 -32.9073 -14.9042 -14.9042 -14.5800 -14.5800 -14.3143 -14.3143 -14.0297 -14.0297 -13.9884 -13.9884 -13.9775 -13.9775 -13.8576 -13.8576 -13.8289 -13.8289 -13.7148 -13.7148 -3.3427 -3.3427 -1.0057 -1.0057 3.8530 3.8530 4.1955 4.1955 5.9414 5.9414 6.8414 6.8414 6.8991 6.8991 7.0749 7.0749 9.5816 9.5816 9.6316 9.6316 9.6598 9.6598 10.5852 10.6132 k = 0.4545 0.5000-0.0000 ( 4072 PWs) bands (ev): -32.9258 -32.9258 -32.9234 -32.9234 -32.9088 -32.9088 -14.9065 -14.9065 -14.5795 -14.5795 -14.3134 -14.3134 -14.0266 -14.0266 -13.9887 -13.9887 -13.9790 -13.9790 -13.8574 -13.8574 -13.8298 -13.8298 -13.7139 -13.7139 -3.3423 -3.3423 -0.9860 -0.9860 3.8336 3.8336 4.1722 4.1722 5.9346 5.9346 6.8457 6.8457 6.8981 6.8981 7.0750 7.0750 9.5994 9.5994 9.6309 9.6309 9.6722 9.6722 10.6013 10.6084 k = 0.4697 0.5000-0.0000 ( 4072 PWs) bands (ev): -32.9247 -32.9247 -32.9233 -32.9233 -32.9101 -32.9101 -14.9082 -14.9082 -14.5791 -14.5791 -14.3127 -14.3127 -14.0242 -14.0242 -13.9892 -13.9892 -13.9800 -13.9800 -13.8572 -13.8572 -13.8305 -13.8305 -13.7132 -13.7132 -3.3420 -3.3420 -0.9717 -0.9717 3.8189 3.8189 4.1561 4.1561 5.9297 5.9297 6.8479 6.8479 6.8983 6.8983 7.0751 7.0751 9.6112 9.6112 9.6303 9.6303 9.6824 9.6824 10.6051 10.6084 k = 0.4848 0.5000-0.0000 ( 4076 PWs) bands (ev): -32.9241 -32.9241 -32.9231 -32.9231 -32.9110 -32.9110 -14.9093 -14.9093 -14.5789 -14.5789 -14.3123 -14.3123 -14.0227 -14.0227 -13.9896 -13.9896 -13.9806 -13.9806 -13.8571 -13.8571 -13.8310 -13.8310 -13.7128 -13.7128 -3.3418 -3.3418 -0.9630 -0.9630 3.8096 3.8096 4.1467 4.1467 5.9267 5.9267 6.8488 6.8488 6.8988 6.8988 7.0752 7.0752 9.6168 9.6168 9.6314 9.6314 9.6888 9.6888 10.6096 10.6199 k = 0.5000 0.5000-0.0000 ( 4076 PWs) bands (ev): -32.9240 -32.9240 -32.9230 -32.9230 -32.9113 -32.9113 -14.9096 -14.9096 -14.5788 -14.5788 -14.3121 -14.3121 -14.0222 -14.0222 -13.9898 -13.9898 -13.9807 -13.9807 -13.8571 -13.8571 -13.8311 -13.8311 -13.7127 -13.7127 -3.3417 -3.3417 -0.9600 -0.9600 3.8065 3.8065 4.1435 4.1435 5.9257 5.9257 6.8491 6.8491 6.8991 6.8991 7.0752 7.0752 9.6180 9.6180 9.6324 9.6324 9.6910 9.6910 10.6110 10.6133 k = 0.5000 0.5000-0.0000 ( 4076 PWs) bands (ev): -32.9240 -32.9240 -32.9230 -32.9230 -32.9113 -32.9113 -14.9096 -14.9096 -14.5788 -14.5788 -14.3121 -14.3121 -14.0222 -14.0222 -13.9898 -13.9898 -13.9807 -13.9807 -13.8571 -13.8571 -13.8311 -13.8311 -13.7127 -13.7127 -3.3417 -3.3417 -0.9600 -0.9600 3.8065 3.8065 4.1435 4.1435 5.9257 5.9257 6.8491 6.8491 6.8991 6.8991 7.0752 7.0752 9.6180 9.6180 9.6324 9.6324 9.6910 9.6910 10.6109 10.6123 k = 0.4891 0.4891-0.0000 ( 4076 PWs) bands (ev): -32.9242 -32.9242 -32.9231 -32.9231 -32.9110 -32.9110 -14.9092 -14.9092 -14.5789 -14.5789 -14.3123 -14.3123 -14.0227 -14.0227 -13.9896 -13.9896 -13.9806 -13.9806 -13.8571 -13.8571 -13.8310 -13.8310 -13.7128 -13.7128 -3.3418 -3.3418 -0.9630 -0.9630 3.8097 3.8097 4.1467 4.1467 5.9268 5.9268 6.8488 6.8488 6.8988 6.8988 7.0752 7.0752 9.6168 9.6168 9.6314 9.6314 9.6888 9.6888 10.6095 10.6148 k = 0.4783 0.4783-0.0000 ( 4082 PWs) bands (ev): -32.9249 -32.9249 -32.9231 -32.9231 -32.9101 -32.9101 -14.9082 -14.9082 -14.5792 -14.5792 -14.3127 -14.3127 -14.0244 -14.0244 -13.9891 -13.9891 -13.9801 -13.9801 -13.8572 -13.8572 -13.8305 -13.8305 -13.7132 -13.7132 -3.3420 -3.3420 -0.9720 -0.9720 3.8194 3.8194 4.1563 4.1563 5.9298 5.9298 6.8478 6.8478 6.8984 6.8984 7.0751 7.0751 9.6115 9.6115 9.6298 9.6298 9.6820 9.6820 10.6032 10.6119 k = 0.4674 0.4674-0.0000 ( 4070 PWs) bands (ev): -32.9263 -32.9263 -32.9229 -32.9229 -32.9089 -32.9089 -14.9065 -14.9065 -14.5795 -14.5795 -14.3134 -14.3134 -14.0268 -14.0268 -13.9884 -13.9884 -13.9791 -13.9791 -13.8574 -13.8574 -13.8298 -13.8298 -13.7139 -13.7139 -3.3423 -3.3423 -0.9869 -0.9869 3.8355 3.8355 4.1722 4.1722 5.9349 5.9349 6.8453 6.8453 6.8986 6.8986 7.0750 7.0750 9.6003 9.6003 9.6294 9.6294 9.6711 9.6711 10.5906 10.5912 k = 0.4565 0.4565-0.0000 ( 4062 PWs) bands (ev): -32.9279 -32.9279 -32.9225 -32.9225 -32.9074 -32.9074 -14.9040 -14.9040 -14.5801 -14.5801 -14.3144 -14.3144 -14.0300 -14.0300 -13.9877 -13.9877 -13.9779 -13.9779 -13.8576 -13.8576 -13.8288 -13.8288 -13.7148 -13.7148 -3.3427 -3.3427 -1.0075 -1.0075 3.8576 3.8576 4.1944 4.1944 5.9420 5.9420 6.8404 6.8404 6.9005 6.9005 7.0749 7.0749 9.5834 9.5834 9.6288 9.6288 9.6571 9.6571 10.5713 10.5727 k = 0.4457 0.4457-0.0000 ( 4070 PWs) bands (ev): -32.9298 -32.9298 -32.9219 -32.9219 -32.9059 -32.9059 -14.9009 -14.9009 -14.5808 -14.5808 -14.3158 -14.3158 -14.0338 -14.0338 -13.9871 -13.9871 -13.9763 -13.9763 -13.8579 -13.8579 -13.8277 -13.8277 -13.7161 -13.7161 -3.3433 -3.3433 -1.0335 -1.0335 3.8857 3.8857 4.2229 4.2229 5.9510 5.9510 6.8326 6.8326 6.9047 6.9047 7.0749 7.0749 9.5616 9.5616 9.6211 9.6211 9.6463 9.6463 10.5462 10.5471 k = 0.4348 0.4348-0.0000 ( 4064 PWs) bands (ev): -32.9317 -32.9317 -32.9213 -32.9213 -32.9043 -32.9043 -14.8972 -14.8972 -14.5817 -14.5817 -14.3174 -14.3174 -14.0381 -14.0381 -13.9865 -13.9865 -13.9745 -13.9745 -13.8580 -13.8580 -13.8263 -13.8263 -13.7175 -13.7175 -3.3440 -3.3440 -1.0646 -1.0646 3.9193 3.9193 4.2577 4.2577 5.9621 5.9621 6.8221 6.8221 6.9114 6.9114 7.0748 7.0748 9.5356 9.5356 9.5996 9.5996 9.6453 9.6453 10.5168 10.5169 k = 0.4239 0.4239-0.0000 ( 4066 PWs) bands (ev): -32.9337 -32.9337 -32.9205 -32.9205 -32.9027 -32.9027 -14.8928 -14.8928 -14.5827 -14.5827 -14.3195 -14.3195 -14.0426 -14.0426 -13.9859 -13.9859 -13.9725 -13.9725 -13.8581 -13.8581 -13.8249 -13.8249 -13.7192 -13.7192 -3.3449 -3.3449 -1.1006 -1.1006 3.9583 3.9583 4.2986 4.2986 5.9751 5.9751 6.8091 6.8091 6.9205 6.9205 7.0749 7.0749 9.5058 9.5058 9.5699 9.5699 9.6481 9.6481 10.4834 10.4834 k = 0.4130 0.4130-0.0000 ( 4070 PWs) bands (ev): -32.9358 -32.9358 -32.9196 -32.9196 -32.9010 -32.9010 -14.8879 -14.8879 -14.5838 -14.5838 -14.3221 -14.3221 -14.0475 -14.0475 -13.9855 -13.9855 -13.9705 -13.9705 -13.8581 -13.8581 -13.8234 -13.8234 -13.7211 -13.7211 -3.3459 -3.3459 -1.1409 -1.1409 4.0021 4.0021 4.3454 4.3454 5.9899 5.9899 6.7944 6.7944 6.9318 6.9318 7.0751 7.0751 9.4727 9.4727 9.5349 9.5349 9.6520 9.6520 10.4466 10.4467 k = 0.4022 0.4022-0.0000 ( 4060 PWs) bands (ev): -32.9380 -32.9380 -32.9186 -32.9186 -32.8994 -32.8994 -14.8824 -14.8824 -14.5851 -14.5851 -14.3250 -14.3250 -14.0525 -14.0525 -13.9849 -13.9849 -13.9683 -13.9683 -13.8579 -13.8579 -13.8217 -13.8217 -13.7231 -13.7231 -3.3471 -3.3471 -1.1853 -1.1853 4.0506 4.0506 4.3981 4.3981 6.0067 6.0067 6.7783 6.7783 6.9452 6.9452 7.0755 7.0755 9.4368 9.4368 9.4953 9.4953 9.6562 9.6562 10.4069 10.4069 k = 0.3913 0.3913-0.0000 ( 4066 PWs) bands (ev): -32.9402 -32.9402 -32.9175 -32.9175 -32.8979 -32.8979 -14.8763 -14.8763 -14.5865 -14.5865 -14.3285 -14.3285 -14.0575 -14.0575 -13.9843 -13.9843 -13.9662 -13.9662 -13.8576 -13.8576 -13.8201 -13.8201 -13.7253 -13.7253 -3.3484 -3.3484 -1.2332 -1.2332 4.1034 4.1034 4.4563 4.4563 6.0252 6.0252 6.7612 6.7612 6.9604 6.9604 7.0762 7.0762 9.3984 9.3984 9.4517 9.4517 9.6603 9.6603 10.3643 10.3643 k = 0.3804 0.3804-0.0000 ( 4066 PWs) bands (ev): -32.9424 -32.9424 -32.9163 -32.9163 -32.8963 -32.8963 -14.8698 -14.8698 -14.5880 -14.5880 -14.3325 -14.3325 -14.0626 -14.0626 -13.9837 -13.9837 -13.9641 -13.9641 -13.8572 -13.8572 -13.8184 -13.8184 -13.7276 -13.7276 -3.3500 -3.3500 -1.2844 -1.2844 4.1603 4.1603 4.5199 4.5199 6.0455 6.0455 6.7437 6.7437 6.9775 6.9775 7.0772 7.0772 9.3579 9.3579 9.4047 9.4047 9.6640 9.6640 10.3194 10.3194 k = 0.3696 0.3696-0.0000 ( 4074 PWs) bands (ev): -32.9446 -32.9446 -32.9150 -32.9150 -32.8948 -32.8948 -14.8628 -14.8628 -14.5897 -14.5897 -14.3372 -14.3372 -14.0676 -14.0676 -13.9830 -13.9830 -13.9621 -13.9621 -13.8566 -13.8566 -13.8167 -13.8167 -13.7300 -13.7300 -3.3517 -3.3517 -1.3382 -1.3382 4.2210 4.2210 4.5884 4.5884 6.0674 6.0674 6.7260 6.7260 6.9963 6.9963 7.0786 7.0786 9.3156 9.3156 9.3546 9.3546 9.6670 9.6670 10.2722 10.2722 k = 0.3587 0.3587-0.0000 ( 4078 PWs) bands (ev): -32.9468 -32.9468 -32.9137 -32.9137 -32.8934 -32.8934 -14.8555 -14.8555 -14.5915 -14.5915 -14.3424 -14.3424 -14.0725 -14.0725 -13.9823 -13.9823 -13.9601 -13.9601 -13.8558 -13.8558 -13.8150 -13.8150 -13.7325 -13.7325 -3.3536 -3.3536 -1.3944 -1.3944 4.2853 4.2853 4.6616 4.6616 6.0910 6.0910 6.7085 6.7085 7.0169 7.0169 7.0806 7.0806 9.2719 9.2719 9.3021 9.3021 9.6689 9.6689 10.2232 10.2232 k = 0.3478 0.3478-0.0000 ( 4082 PWs) bands (ev): -32.9490 -32.9490 -32.9122 -32.9122 -32.8919 -32.8919 -14.8477 -14.8477 -14.5933 -14.5933 -14.3483 -14.3483 -14.0772 -14.0772 -13.9814 -13.9814 -13.9582 -13.9582 -13.8548 -13.8548 -13.8133 -13.8133 -13.7351 -13.7351 -3.3558 -3.3558 -1.4526 -1.4526 4.3530 4.3530 4.7390 4.7390 6.1160 6.1160 6.6916 6.6916 7.0389 7.0389 7.0834 7.0834 9.2264 9.2264 9.2481 9.2481 9.6695 9.6695 10.1725 10.1725 k = 0.3370 0.3370-0.0000 ( 4092 PWs) bands (ev): -32.9512 -32.9512 -32.9107 -32.9107 -32.8905 -32.8905 -14.8397 -14.8397 -14.5953 -14.5953 -14.3548 -14.3548 -14.0816 -14.0816 -13.9804 -13.9804 -13.9564 -13.9564 -13.8536 -13.8536 -13.8116 -13.8116 -13.7377 -13.7377 -3.3581 -3.3581 -1.5122 -1.5122 4.4239 4.4239 4.8203 4.8203 6.1424 6.1424 6.6754 6.6754 7.0618 7.0618 7.0879 7.0879 9.1782 9.1782 9.1945 9.1945 9.6684 9.6684 10.1205 10.1205 k = 0.3261 0.3261-0.0000 ( 4092 PWs) bands (ev): -32.9534 -32.9534 -32.9091 -32.9091 -32.8892 -32.8892 -14.8314 -14.8314 -14.5974 -14.5974 -14.3620 -14.3620 -14.0856 -14.0856 -13.9793 -13.9793 -13.9546 -13.9546 -13.8522 -13.8522 -13.8099 -13.8099 -13.7403 -13.7403 -3.3607 -3.3607 -1.5731 -1.5731 4.4978 4.4978 4.9051 4.9051 6.1701 6.1701 6.6604 6.6604 7.0811 7.0811 7.0985 7.0985 9.1247 9.1247 9.1443 9.1443 9.6654 9.6654 10.0673 10.0673 k = 0.3152 0.3152-0.0000 ( 4084 PWs) bands (ev): -32.9556 -32.9556 -32.9075 -32.9075 -32.8879 -32.8879 -14.8229 -14.8229 -14.5995 -14.5995 -14.3698 -14.3698 -14.0894 -14.0894 -13.9781 -13.9781 -13.9528 -13.9528 -13.8506 -13.8506 -13.8082 -13.8082 -13.7429 -13.7429 -3.3636 -3.3636 -1.6347 -1.6347 4.5746 4.5746 4.9930 4.9930 6.1989 6.1989 6.6467 6.6467 7.0906 7.0906 7.1217 7.1217 9.0670 9.0670 9.0971 9.0971 9.6601 9.6601 10.0133 10.0133 k = 0.3043 0.3043-0.0000 ( 4072 PWs) bands (ev): -32.9578 -32.9578 -32.9057 -32.9057 -32.8867 -32.8867 -14.8142 -14.8142 -14.6017 -14.6017 -14.3782 -14.3782 -14.0927 -14.0927 -13.9767 -13.9767 -13.9512 -13.9512 -13.8489 -13.8489 -13.8066 -13.8066 -13.7454 -13.7454 -3.3667 -3.3667 -1.6968 -1.6968 4.6540 4.6540 5.0835 5.0835 6.2287 6.2287 6.6345 6.6345 7.0975 7.0975 7.1503 7.1503 9.0076 9.0076 9.0511 9.0511 9.6522 9.6522 9.9586 9.9586 k = 0.2935 0.2935-0.0000 ( 4068 PWs) bands (ev): -32.9599 -32.9599 -32.9040 -32.9040 -32.8854 -32.8854 -14.8055 -14.8055 -14.6039 -14.6039 -14.3872 -14.3872 -14.0956 -14.0956 -13.9753 -13.9753 -13.9496 -13.9496 -13.8469 -13.8469 -13.8050 -13.8050 -13.7479 -13.7479 -3.3700 -3.3700 -1.7590 -1.7590 4.7358 4.7358 5.1764 5.1764 6.2592 6.2592 6.6241 6.6241 7.1050 7.1050 7.1814 7.1814 8.9475 8.9475 9.0057 9.0057 9.6414 9.6414 9.9034 9.9034 k = 0.2826 0.2826-0.0000 ( 4070 PWs) bands (ev): -32.9621 -32.9621 -32.9022 -32.9022 -32.8843 -32.8843 -14.7967 -14.7967 -14.6063 -14.6063 -14.3966 -14.3966 -14.0982 -14.0982 -13.9737 -13.9737 -13.9481 -13.9481 -13.8448 -13.8448 -13.8034 -13.8034 -13.7504 -13.7504 -3.3737 -3.3737 -1.8210 -1.8210 4.8199 4.8199 5.2712 5.2712 6.2904 6.2904 6.6157 6.6157 7.1137 7.1137 7.2144 7.2144 8.8871 8.8871 8.9609 8.9609 9.6274 9.6274 9.8480 9.8480 k = 0.2717 0.2717-0.0000 ( 4066 PWs) bands (ev): -32.9642 -32.9642 -32.9004 -32.9004 -32.8831 -32.8831 -14.7880 -14.7880 -14.6087 -14.6087 -14.4065 -14.4065 -14.1004 -14.1004 -13.9721 -13.9721 -13.9468 -13.9468 -13.8425 -13.8425 -13.8018 -13.8018 -13.7527 -13.7527 -3.3776 -3.3776 -1.8826 -1.8826 4.9059 4.9059 5.3675 5.3675 6.3219 6.3219 6.6094 6.6094 7.1239 7.1239 7.2494 7.2494 8.8269 8.8269 8.9168 8.9168 9.6100 9.6100 9.7925 9.7925 k = 0.2609 0.2609-0.0000 ( 4066 PWs) bands (ev): -32.9662 -32.9662 -32.8986 -32.8986 -32.8821 -32.8821 -14.7794 -14.7794 -14.6112 -14.6112 -14.4167 -14.4167 -14.1022 -14.1022 -13.9703 -13.9703 -13.9455 -13.9455 -13.8401 -13.8401 -13.8004 -13.8004 -13.7550 -13.7550 -3.3818 -3.3818 -1.9435 -1.9435 4.9937 4.9937 5.4650 5.4650 6.3536 6.3536 6.6053 6.6053 7.1360 7.1360 7.2861 7.2861 8.7670 8.7670 8.8735 8.8735 9.5890 9.5890 9.7372 9.7372 k = 0.2500 0.2500-0.0000 ( 4060 PWs) bands (ev): -32.9682 -32.9682 -32.8968 -32.8968 -32.8810 -32.8810 -14.7709 -14.7709 -14.6137 -14.6137 -14.4272 -14.4272 -14.1037 -14.1037 -13.9685 -13.9685 -13.9443 -13.9443 -13.8374 -13.8374 -13.7989 -13.7989 -13.7571 -13.7571 -3.3863 -3.3863 -2.0033 -2.0033 5.0828 5.0828 5.5632 5.5632 6.3852 6.3852 6.6036 6.6036 7.1502 7.1502 7.3246 7.3246 8.7078 8.7078 8.8312 8.8312 9.5642 9.5642 9.6822 9.6822 k = 0.2391 0.2391-0.0000 ( 4068 PWs) bands (ev): -32.9702 -32.9702 -32.8949 -32.8949 -32.8801 -32.8801 -14.7627 -14.7627 -14.6163 -14.6163 -14.4378 -14.4378 -14.1049 -14.1049 -13.9666 -13.9666 -13.9433 -13.9433 -13.8346 -13.8346 -13.7975 -13.7975 -13.7592 -13.7592 -3.3911 -3.3911 -2.0619 -2.0619 5.1731 5.1731 5.6618 5.6618 6.4166 6.4166 6.6044 6.6044 7.1668 7.1668 7.3649 7.3649 8.6495 8.6495 8.7899 8.7899 9.5353 9.5353 9.6280 9.6280 k = 0.2283 0.2283-0.0000 ( 4068 PWs) bands (ev): -32.9721 -32.9721 -32.8931 -32.8931 -32.8791 -32.8791 -14.7547 -14.7547 -14.6190 -14.6190 -14.4483 -14.4483 -14.1057 -14.1057 -13.9647 -13.9647 -13.9423 -13.9423 -13.8317 -13.8317 -13.7962 -13.7962 -13.7612 -13.7612 -3.3961 -3.3961 -2.1191 -2.1191 5.2642 5.2642 5.7602 5.7602 6.4476 6.4476 6.6078 6.6078 7.1860 7.1860 7.4068 7.4068 8.5924 8.5924 8.7497 8.7497 9.5022 9.5022 9.5747 9.5747 k = 0.2174 0.2174-0.0000 ( 4052 PWs) bands (ev): -32.9740 -32.9740 -32.8913 -32.8913 -32.8783 -32.8783 -14.7469 -14.7469 -14.6218 -14.6218 -14.4587 -14.4587 -14.1064 -14.1064 -13.9627 -13.9627 -13.9414 -13.9414 -13.8285 -13.8285 -13.7948 -13.7948 -13.7629 -13.7629 -3.4015 -3.4015 -2.1745 -2.1745 5.3556 5.3556 5.8578 5.8578 6.4784 6.4784 6.6137 6.6137 7.2080 7.2080 7.4505 7.4505 8.5366 8.5366 8.7109 8.7109 9.4648 9.4648 9.5227 9.5227 k = 0.2065 0.2065-0.0000 ( 4048 PWs) bands (ev): -32.9758 -32.9758 -32.8895 -32.8895 -32.8774 -32.8774 -14.7396 -14.7396 -14.6247 -14.6247 -14.4689 -14.4689 -14.1068 -14.1068 -13.9606 -13.9606 -13.9406 -13.9406 -13.8253 -13.8253 -13.7935 -13.7935 -13.7646 -13.7646 -3.4071 -3.4071 -2.2281 -2.2281 5.4471 5.4471 5.9541 5.9541 6.5091 6.5091 6.6221 6.6221 7.2332 7.2332 7.4956 7.4956 8.4824 8.4824 8.6734 8.6734 9.4229 9.4229 9.4723 9.4723 k = 0.1957 0.1957-0.0000 ( 4052 PWs) bands (ev): -32.9775 -32.9775 -32.8877 -32.8877 -32.8766 -32.8766 -14.7327 -14.7327 -14.6278 -14.6278 -14.4787 -14.4787 -14.1070 -14.1070 -13.9586 -13.9586 -13.9399 -13.9399 -13.8220 -13.8220 -13.7923 -13.7923 -13.7662 -13.7662 -3.4130 -3.4130 -2.2796 -2.2796 5.5382 5.5382 6.0480 6.0480 6.5401 6.5401 6.6329 6.6329 7.2617 7.2617 7.5422 7.5422 8.4299 8.4299 8.6373 8.6373 9.3772 9.3772 9.4230 9.4230 k = 0.1848 0.1848-0.0000 ( 4056 PWs) bands (ev): -32.9792 -32.9792 -32.8860 -32.8860 -32.8759 -32.8759 -14.7262 -14.7262 -14.6309 -14.6309 -14.4881 -14.4881 -14.1072 -14.1072 -13.9566 -13.9566 -13.9393 -13.9393 -13.8185 -13.8185 -13.7912 -13.7912 -13.7676 -13.7676 -3.4191 -3.4191 -2.3289 -2.3289 5.6284 5.6284 6.1384 6.1384 6.5721 6.5721 6.6464 6.6464 7.2935 7.2935 7.5902 7.5902 8.3794 8.3794 8.6028 8.6028 9.3286 9.3286 9.3741 9.3741 k = 0.1739 0.1739-0.0000 ( 4056 PWs) bands (ev): -32.9808 -32.9808 -32.8844 -32.8844 -32.8752 -32.8752 -14.7202 -14.7202 -14.6343 -14.6343 -14.4968 -14.4968 -14.1071 -14.1071 -13.9546 -13.9546 -13.9388 -13.9388 -13.8151 -13.8151 -13.7901 -13.7901 -13.7689 -13.7689 -3.4255 -3.4255 -2.3758 -2.3758 5.7172 5.7172 6.2236 6.2236 6.6053 6.6053 6.6636 6.6636 7.3289 7.3289 7.6392 7.6392 8.3311 8.3311 8.5698 8.5698 9.2781 9.2781 9.3251 9.3251 k = 0.1630 0.1630-0.0000 ( 4050 PWs) bands (ev): -32.9823 -32.9823 -32.8828 -32.8828 -32.8745 -32.8745 -14.7147 -14.7147 -14.6378 -14.6378 -14.5048 -14.5048 -14.1070 -14.1070 -13.9527 -13.9527 -13.9383 -13.9383 -13.8115 -13.8115 -13.7890 -13.7890 -13.7701 -13.7701 -3.4320 -3.4320 -2.4202 -2.4202 5.8040 5.8040 6.3016 6.3016 6.6371 6.6371 6.6885 6.6885 7.3677 7.3677 7.6892 7.6892 8.2853 8.2853 8.5386 8.5386 9.2261 9.2261 9.2757 9.2757 k = 0.1522 0.1522-0.0000 ( 4054 PWs) bands (ev): -32.9837 -32.9837 -32.8812 -32.8812 -32.8739 -32.8739 -14.7098 -14.7098 -14.6415 -14.6415 -14.5120 -14.5120 -14.1069 -14.1069 -13.9508 -13.9508 -13.9379 -13.9379 -13.8080 -13.8080 -13.7881 -13.7881 -13.7711 -13.7711 -3.4386 -3.4386 -2.4619 -2.4619 5.8883 5.8883 6.3706 6.3706 6.6620 6.6620 6.7284 6.7284 7.4098 7.4098 7.7398 7.7398 8.2422 8.2422 8.5090 8.5090 9.1726 9.1726 9.2264 9.2264 k = 0.1413 0.1413-0.0000 ( 4046 PWs) bands (ev): -32.9851 -32.9851 -32.8798 -32.8798 -32.8733 -32.8733 -14.7053 -14.7053 -14.6454 -14.6454 -14.5184 -14.5184 -14.1066 -14.1066 -13.9489 -13.9489 -13.9375 -13.9375 -13.8045 -13.8045 -13.7872 -13.7872 -13.7720 -13.7720 -3.4453 -3.4453 -2.5009 -2.5009 5.9695 5.9695 6.4297 6.4297 6.6804 6.6804 6.7837 6.7837 7.4551 7.4551 7.7907 7.7907 8.2021 8.2021 8.4813 8.4813 9.1170 9.1170 9.1777 9.1777 k = 0.1304 0.1304-0.0000 ( 4036 PWs) bands (ev): -32.9864 -32.9864 -32.8784 -32.8784 -32.8728 -32.8728 -14.7013 -14.7013 -14.6494 -14.6494 -14.5239 -14.5239 -14.1064 -14.1064 -13.9471 -13.9471 -13.9372 -13.9372 -13.8010 -13.8010 -13.7863 -13.7863 -13.7727 -13.7727 -3.4521 -3.4521 -2.5372 -2.5372 6.0467 6.0467 6.4795 6.4795 6.6954 6.6954 6.8499 6.8499 7.5032 7.5032 7.8413 7.8413 8.1656 8.1656 8.4554 8.4554 9.0592 9.0592 9.1301 9.1301 k = 0.1196 0.1196-0.0000 ( 4038 PWs) bands (ev): -32.9876 -32.9876 -32.8771 -32.8771 -32.8723 -32.8723 -14.6979 -14.6979 -14.6536 -14.6536 -14.5286 -14.5286 -14.1061 -14.1061 -13.9455 -13.9455 -13.9370 -13.9370 -13.7977 -13.7977 -13.7855 -13.7855 -13.7734 -13.7734 -3.4587 -3.4587 -2.5705 -2.5705 6.1193 6.1193 6.5220 6.5220 6.7087 6.7087 6.9235 6.9235 7.5540 7.5540 7.8910 7.8910 8.1334 8.1334 8.4314 8.4314 8.9988 8.9988 9.0832 9.0832 k = 0.1087 0.1087-0.0000 ( 4030 PWs) bands (ev): -32.9886 -32.9886 -32.8758 -32.8758 -32.8719 -32.8719 -14.6949 -14.6949 -14.6577 -14.6577 -14.5324 -14.5324 -14.1058 -14.1058 -13.9440 -13.9440 -13.9368 -13.9368 -13.7945 -13.7945 -13.7848 -13.7848 -13.7739 -13.7739 -3.4653 -3.4653 -2.6009 -2.6009 6.1864 6.1864 6.5595 6.5595 6.7209 6.7209 7.0012 7.0012 7.6069 7.6069 7.9386 7.9386 8.1065 8.1065 8.4093 8.4093 8.9361 8.9361 9.0356 9.0356 k = 0.0978 0.0978-0.0000 ( 4026 PWs) bands (ev): -32.9896 -32.9896 -32.8747 -32.8747 -32.8715 -32.8715 -14.6924 -14.6924 -14.6619 -14.6619 -14.5355 -14.5355 -14.1055 -14.1055 -13.9425 -13.9425 -13.9367 -13.9367 -13.7916 -13.7916 -13.7840 -13.7840 -13.7743 -13.7743 -3.4716 -3.4716 -2.6284 -2.6284 6.2473 6.2473 6.5937 6.5937 6.7320 6.7320 7.0804 7.0804 7.6614 7.6614 7.9816 7.9816 8.0879 8.0879 8.3893 8.3893 8.8713 8.8713 8.9834 8.9834 k = 0.0870 0.0870-0.0000 ( 4026 PWs) bands (ev): -32.9905 -32.9905 -32.8737 -32.8737 -32.8711 -32.8711 -14.6903 -14.6903 -14.6659 -14.6659 -14.5380 -14.5380 -14.1053 -14.1053 -13.9412 -13.9412 -13.9366 -13.9366 -13.7890 -13.7890 -13.7833 -13.7833 -13.7747 -13.7747 -3.4776 -3.4776 -2.6530 -2.6530 6.3012 6.3012 6.6260 6.6260 6.7423 6.7423 7.1588 7.1588 7.7168 7.7168 8.0131 8.0131 8.0850 8.0850 8.3712 8.3712 8.8049 8.8049 8.9216 8.9216 k = 0.0761 0.0761-0.0000 ( 4020 PWs) bands (ev): -32.9913 -32.9913 -32.8728 -32.8728 -32.8708 -32.8708 -14.6886 -14.6886 -14.6697 -14.6697 -14.5399 -14.5399 -14.1050 -14.1050 -13.9401 -13.9401 -13.9365 -13.9365 -13.7870 -13.7870 -13.7823 -13.7823 -13.7749 -13.7749 -3.4832 -3.4832 -2.6745 -2.6745 6.3477 6.3477 6.6568 6.6568 6.7517 6.7517 7.2344 7.2344 7.7718 7.7718 8.0261 8.0261 8.1058 8.1058 8.3552 8.3552 8.7372 8.7372 8.8507 8.8507 k = 0.0652 0.0652-0.0000 ( 4018 PWs) bands (ev): -32.9920 -32.9920 -32.8720 -32.8720 -32.8705 -32.8705 -14.6872 -14.6872 -14.6732 -14.6732 -14.5413 -14.5413 -14.1048 -14.1048 -13.9391 -13.9391 -13.9364 -13.9364 -13.7855 -13.7855 -13.7810 -13.7810 -13.7750 -13.7750 -3.4882 -3.4882 -2.6932 -2.6932 6.3867 6.3867 6.6862 6.6862 6.7602 6.7602 7.3052 7.3052 7.8243 7.8243 8.0347 8.0347 8.1385 8.1385 8.3413 8.3413 8.6689 8.6689 8.7750 8.7750 k = 0.0543 0.0543-0.0000 ( 4018 PWs) bands (ev): -32.9926 -32.9926 -32.8713 -32.8713 -32.8703 -32.8703 -14.6861 -14.6861 -14.6763 -14.6763 -14.5424 -14.5424 -14.1046 -14.1046 -13.9382 -13.9382 -13.9364 -13.9364 -13.7847 -13.7847 -13.7796 -13.7796 -13.7751 -13.7751 -3.4927 -3.4927 -2.7089 -2.7089 6.4183 6.4183 6.7135 6.7135 6.7678 6.7678 7.3690 7.3690 7.8719 7.8719 8.0528 8.0528 8.1719 8.1719 8.3295 8.3295 8.6006 8.6006 8.6979 8.6979 k = 0.0435 0.0435-0.0000 ( 4020 PWs) bands (ev): -32.9931 -32.9931 -32.8708 -32.8708 -32.8701 -32.8701 -14.6853 -14.6853 -14.6790 -14.6790 -14.5432 -14.5432 -14.1044 -14.1044 -13.9376 -13.9376 -13.9364 -13.9364 -13.7842 -13.7842 -13.7781 -13.7781 -13.7752 -13.7752 -3.4965 -3.4965 -2.7217 -2.7217 6.4429 6.4429 6.7379 6.7379 6.7742 6.7742 7.4234 7.4234 7.9126 7.9126 8.0858 8.0858 8.2027 8.2027 8.3197 8.3197 8.5337 8.5337 8.6208 8.6208 k = 0.0326 0.0326-0.0000 ( 4014 PWs) bands (ev): -32.9934 -32.9934 -32.8704 -32.8704 -32.8700 -32.8700 -14.6846 -14.6846 -14.6811 -14.6811 -14.5437 -14.5437 -14.1042 -14.1042 -13.9370 -13.9370 -13.9363 -13.9363 -13.7839 -13.7839 -13.7768 -13.7768 -13.7752 -13.7752 -3.4995 -3.4995 -2.7317 -2.7317 6.4613 6.4613 6.7583 6.7583 6.7794 6.7794 7.4665 7.4665 7.9472 7.9472 8.1330 8.1330 8.2301 8.2301 8.3122 8.3122 8.4696 8.4696 8.5445 8.5445 k = 0.0217 0.0217-0.0000 ( 4014 PWs) bands (ev): -32.9937 -32.9937 -32.8700 -32.8700 -32.8699 -32.8699 -14.6842 -14.6842 -14.6826 -14.6826 -14.5440 -14.5440 -14.1041 -14.1041 -13.9366 -13.9366 -13.9363 -13.9363 -13.7838 -13.7838 -13.7759 -13.7759 -13.7752 -13.7752 -3.5017 -3.5017 -2.7387 -2.7387 6.4740 6.4740 6.7736 6.7736 6.7833 6.7833 7.4973 7.4973 7.9768 7.9768 8.1902 8.1902 8.2547 8.2547 8.3069 8.3069 8.4111 8.4111 8.4697 8.4697 k = 0.0109 0.0109-0.0000 ( 4014 PWs) bands (ev): -32.9939 -32.9939 -32.8698 -32.8698 -32.8698 -32.8698 -14.6840 -14.6840 -14.6836 -14.6836 -14.5442 -14.5442 -14.1041 -14.1041 -13.9364 -13.9364 -13.9363 -13.9363 -13.7837 -13.7837 -13.7754 -13.7754 -13.7752 -13.7752 -3.5031 -3.5031 -2.7430 -2.7430 6.4814 6.4814 6.7832 6.7832 6.7856 6.7856 7.5154 7.5154 7.9989 7.9989 8.2527 8.2527 8.2780 8.2780 8.3045 8.3045 8.3624 8.3624 8.3970 8.3970 k = 0.0000 0.0000 0.0000 ( 4067 PWs) bands (ev): -32.9939 -32.9939 -32.8698 -32.8698 -32.8698 -32.8698 -14.6840 -14.6840 -14.6840 -14.6840 -14.5444 -14.5444 -14.1041 -14.1041 -13.9365 -13.9365 -13.9365 -13.9365 -13.7838 -13.7838 -13.7753 -13.7753 -13.7753 -13.7753 -3.5035 -3.5035 -2.7444 -2.7444 6.4839 6.4839 6.7864 6.7864 6.7864 6.7864 7.5213 7.5213 8.0073 8.0073 8.2939 8.2939 8.2939 8.2939 8.3194 8.3194 8.3368 8.3368 8.3368 8.3368 k = 0.0000 0.0000 0.0000 ( 4067 PWs) bands (ev): -32.9939 -32.9939 -32.8698 -32.8698 -32.8698 -32.8698 -14.6840 -14.6840 -14.6840 -14.6840 -14.5444 -14.5444 -14.1041 -14.1041 -13.9365 -13.9365 -13.9365 -13.9365 -13.7838 -13.7838 -13.7753 -13.7753 -13.7753 -13.7753 -3.5035 -3.5035 -2.7444 -2.7444 6.4839 6.4839 6.7864 6.7864 6.7864 6.7864 7.5213 7.5213 8.0073 8.0073 8.2939 8.2939 8.2939 8.2939 8.3194 8.3194 8.3368 8.3368 8.3368 8.3368 k = 0.0088 0.0088 0.0088 ( 4022 PWs) bands (ev): -32.9939 -32.9939 -32.8698 -32.8698 -32.8698 -32.8698 -14.6840 -14.6840 -14.6836 -14.6836 -14.5442 -14.5442 -14.1041 -14.1041 -13.9364 -13.9364 -13.9363 -13.9363 -13.7837 -13.7837 -13.7754 -13.7754 -13.7752 -13.7752 -3.5031 -3.5031 -2.7430 -2.7430 6.4815 6.4815 6.7835 6.7835 6.7854 6.7854 7.5155 7.5155 7.9991 7.9991 8.2569 8.2569 8.2706 8.2706 8.3107 8.3107 8.3586 8.3586 8.3975 8.3975 k = 0.0175 0.0175 0.0175 ( 4022 PWs) bands (ev): -32.9937 -32.9937 -32.8700 -32.8700 -32.8700 -32.8700 -14.6844 -14.6844 -14.6826 -14.6826 -14.5440 -14.5440 -14.1041 -14.1041 -13.9366 -13.9366 -13.9364 -13.9364 -13.7838 -13.7838 -13.7760 -13.7760 -13.7752 -13.7752 -3.5018 -3.5018 -2.7389 -2.7389 6.4743 6.4743 6.7746 6.7746 6.7825 6.7825 7.4976 7.4976 7.9786 7.9786 8.1999 8.1999 8.2323 8.2323 8.3320 8.3320 8.3923 8.3923 8.4741 8.4741 k = 0.0263 0.0263 0.0263 ( 4022 PWs) bands (ev): -32.9934 -32.9934 -32.8702 -32.8702 -32.8702 -32.8702 -14.6850 -14.6850 -14.6809 -14.6809 -14.5437 -14.5437 -14.1042 -14.1042 -13.9369 -13.9369 -13.9364 -13.9364 -13.7840 -13.7840 -13.7769 -13.7769 -13.7751 -13.7751 -3.4996 -3.4996 -2.7320 -2.7320 6.4621 6.4621 6.7601 6.7601 6.7780 6.7780 7.4670 7.4670 7.9535 7.9535 8.1476 8.1476 8.1904 8.1904 8.3622 8.3622 8.4266 8.4266 8.5561 8.5561 k = 0.0351 0.0351 0.0351 ( 4028 PWs) bands (ev): -32.9931 -32.9931 -32.8704 -32.8704 -32.8704 -32.8704 -14.6859 -14.6859 -14.6785 -14.6785 -14.5432 -14.5432 -14.1044 -14.1044 -13.9374 -13.9374 -13.9365 -13.9365 -13.7843 -13.7843 -13.7782 -13.7782 -13.7750 -13.7750 -3.4966 -3.4966 -2.7222 -2.7222 6.4447 6.4447 6.7399 6.7399 6.7724 6.7724 7.4234 7.4234 7.9295 7.9295 8.1009 8.1009 8.1462 8.1462 8.3967 8.3967 8.4607 8.4607 8.6419 8.6419 k = 0.0439 0.0439 0.0439 ( 4025 PWs) bands (ev): -32.9926 -32.9926 -32.8708 -32.8708 -32.8708 -32.8708 -14.6872 -14.6872 -14.6755 -14.6755 -14.5423 -14.5423 -14.1046 -14.1046 -13.9380 -13.9380 -13.9366 -13.9366 -13.7849 -13.7849 -13.7795 -13.7795 -13.7749 -13.7749 -3.4929 -3.4929 -2.7097 -2.7097 6.4218 6.4218 6.7144 6.7144 6.7659 6.7659 7.3680 7.3680 7.9071 7.9071 8.0618 8.0618 8.0999 8.0999 8.4331 8.4331 8.4944 8.4944 8.7302 8.7302 k = 0.0526 0.0526 0.0526 ( 4025 PWs) bands (ev): -32.9920 -32.9920 -32.8713 -32.8713 -32.8712 -32.8712 -14.6890 -14.6890 -14.6719 -14.6719 -14.5412 -14.5412 -14.1048 -14.1048 -13.9388 -13.9388 -13.9367 -13.9367 -13.7861 -13.7861 -13.7806 -13.7806 -13.7747 -13.7747 -3.4886 -3.4886 -2.6942 -2.6942 6.3932 6.3932 6.6838 6.6838 6.7592 6.7592 7.3029 7.3029 7.8828 7.8828 8.0341 8.0341 8.0518 8.0518 8.4705 8.4705 8.5280 8.5280 8.8201 8.8201 k = 0.0614 0.0614 0.0614 ( 4031 PWs) bands (ev): -32.9914 -32.9914 -32.8718 -32.8718 -32.8718 -32.8718 -14.6913 -14.6913 -14.6676 -14.6676 -14.5397 -14.5397 -14.1050 -14.1050 -13.9397 -13.9397 -13.9368 -13.9368 -13.7880 -13.7880 -13.7813 -13.7813 -13.7746 -13.7746 -3.4836 -3.4836 -2.6759 -2.6759 6.3589 6.3589 6.6483 6.6483 6.7525 6.7525 7.2305 7.2305 7.8519 7.8519 8.0020 8.0020 8.0213 8.0213 8.5084 8.5084 8.5617 8.5617 8.9107 8.9107 k = 0.0702 0.0702 0.0702 ( 4034 PWs) bands (ev): -32.9906 -32.9906 -32.8724 -32.8724 -32.8723 -32.8723 -14.6944 -14.6944 -14.6628 -14.6628 -14.5376 -14.5376 -14.1053 -14.1053 -13.9408 -13.9408 -13.9369 -13.9369 -13.7906 -13.7906 -13.7817 -13.7817 -13.7743 -13.7743 -3.4781 -3.4781 -2.6546 -2.6546 6.3190 6.3190 6.6083 6.6083 6.7460 6.7460 7.1534 7.1534 7.8135 7.8135 7.9509 7.9509 8.0231 8.0231 8.5467 8.5467 8.5957 8.5957 9.0011 9.0011 k = 0.0789 0.0789 0.0789 ( 4037 PWs) bands (ev): -32.9898 -32.9898 -32.8731 -32.8731 -32.8730 -32.8730 -14.6981 -14.6981 -14.6573 -14.6573 -14.5351 -14.5351 -14.1056 -14.1056 -13.9420 -13.9420 -13.9371 -13.9371 -13.7937 -13.7937 -13.7818 -13.7818 -13.7740 -13.7740 -3.4722 -3.4722 -2.6304 -2.6304 6.2736 6.2736 6.5641 6.5641 6.7393 6.7393 7.0735 7.0735 7.7702 7.7702 7.8987 7.8987 8.0361 8.0361 8.5853 8.5853 8.6301 8.6301 9.0764 9.0768 k = 0.0877 0.0877 0.0877 ( 4043 PWs) bands (ev): -32.9888 -32.9888 -32.8738 -32.8738 -32.8737 -32.8737 -14.7027 -14.7027 -14.6513 -14.6513 -14.5319 -14.5319 -14.1060 -14.1060 -13.9434 -13.9434 -13.9372 -13.9372 -13.7972 -13.7972 -13.7817 -13.7817 -13.7736 -13.7736 -3.4660 -3.4660 -2.6031 -2.6031 6.2230 6.2230 6.5159 6.5159 6.7317 6.7317 6.9929 6.9929 7.7240 7.7240 7.8458 7.8458 8.0572 8.0572 8.6244 8.6244 8.6651 8.6651 9.1224 9.1226 k = 0.0965 0.0965 0.0965 ( 4043 PWs) bands (ev): -32.9877 -32.9877 -32.8746 -32.8746 -32.8745 -32.8745 -14.7081 -14.7081 -14.6447 -14.6447 -14.5280 -14.5280 -14.1063 -14.1063 -13.9449 -13.9449 -13.9373 -13.9373 -13.8011 -13.8011 -13.7815 -13.7815 -13.7732 -13.7732 -3.4596 -3.4596 -2.5728 -2.5728 6.1677 6.1677 6.4639 6.4639 6.7213 6.7213 6.9146 6.9146 7.6766 7.6766 7.7926 7.7926 8.0845 8.0845 8.6640 8.6640 8.7009 8.7009 9.1715 9.1715 k = 0.1053 0.1053 0.1053 ( 4046 PWs) bands (ev): -32.9866 -32.9866 -32.8755 -32.8755 -32.8754 -32.8754 -14.7144 -14.7144 -14.6375 -14.6375 -14.5235 -14.5235 -14.1066 -14.1066 -13.9465 -13.9465 -13.9375 -13.9375 -13.8053 -13.8053 -13.7812 -13.7812 -13.7726 -13.7726 -3.4530 -3.4530 -2.5395 -2.5395 6.1080 6.1080 6.4085 6.4085 6.7018 6.7018 6.8453 6.8453 7.6288 7.6288 7.7393 7.7393 8.1169 8.1169 8.7043 8.7043 8.7376 8.7376 9.2235 9.2236 k = 0.1140 0.1140 0.1140 ( 4046 PWs) bands (ev): -32.9854 -32.9854 -32.8765 -32.8765 -32.8764 -32.8764 -14.7217 -14.7217 -14.6299 -14.6299 -14.5184 -14.5184 -14.1070 -14.1070 -13.9483 -13.9483 -13.9376 -13.9376 -13.8096 -13.8096 -13.7807 -13.7807 -13.7720 -13.7720 -3.4463 -3.4463 -2.5032 -2.5032 6.0443 6.0443 6.3499 6.3499 6.6610 6.6610 6.7979 6.7979 7.5813 7.5813 7.6863 7.6863 8.1533 8.1533 8.7453 8.7453 8.7754 8.7754 9.2781 9.2784 k = 0.1228 0.1228 0.1228 ( 4034 PWs) bands (ev): -32.9840 -32.9840 -32.8775 -32.8775 -32.8773 -32.8773 -14.7298 -14.7298 -14.6217 -14.6217 -14.5126 -14.5126 -14.1073 -14.1073 -13.9502 -13.9502 -13.9376 -13.9376 -13.8142 -13.8142 -13.7801 -13.7801 -13.7712 -13.7712 -3.4397 -3.4397 -2.4639 -2.4639 5.9771 5.9771 6.2883 6.2883 6.5957 6.5957 6.7756 6.7756 7.5344 7.5344 7.6340 7.6340 8.1935 8.1935 8.7871 8.7871 8.8142 8.8142 9.3353 9.3356 k = 0.1316 0.1316 0.1316 ( 4025 PWs) bands (ev): -32.9826 -32.9826 -32.8785 -32.8785 -32.8784 -32.8784 -14.7389 -14.7389 -14.6131 -14.6131 -14.5061 -14.5061 -14.1076 -14.1076 -13.9523 -13.9523 -13.9377 -13.9377 -13.8190 -13.8190 -13.7794 -13.7794 -13.7703 -13.7703 -3.4331 -3.4331 -2.4216 -2.4216 5.9068 5.9068 6.2239 6.2239 6.5180 6.5180 6.7666 6.7666 7.4884 7.4884 7.5826 7.5826 8.2367 8.2367 8.8298 8.8299 8.8542 8.8542 9.3948 9.3949 k = 0.1404 0.1404 0.1404 ( 4037 PWs) bands (ev): -32.9812 -32.9812 -32.8797 -32.8797 -32.8795 -32.8795 -14.7488 -14.7488 -14.6041 -14.6041 -14.4992 -14.4992 -14.1079 -14.1079 -13.9544 -13.9544 -13.9378 -13.9378 -13.8240 -13.8240 -13.7785 -13.7785 -13.7694 -13.7694 -3.4267 -3.4267 -2.3763 -2.3763 5.8337 5.8337 6.1571 6.1571 6.4357 6.4357 6.7632 6.7632 7.4436 7.4436 7.5323 7.5323 8.2828 8.2828 8.8735 8.8735 8.8954 8.8954 9.4562 9.4562 k = 0.1491 0.1491 0.1491 ( 4031 PWs) bands (ev): -32.9797 -32.9797 -32.8809 -32.8809 -32.8807 -32.8807 -14.7596 -14.7596 -14.5947 -14.5947 -14.4917 -14.4917 -14.1081 -14.1081 -13.9567 -13.9567 -13.9377 -13.9377 -13.8290 -13.8290 -13.7775 -13.7775 -13.7683 -13.7683 -3.4204 -3.4204 -2.3282 -2.3282 5.7584 5.7584 6.0880 6.0880 6.3516 6.3516 6.7625 6.7625 7.4001 7.4001 7.4835 7.4835 8.3314 8.3314 8.9182 8.9182 8.9379 8.9379 9.5196 9.5199 k = 0.1579 0.1579 0.1579 ( 4031 PWs) bands (ev): -32.9781 -32.9781 -32.8821 -32.8821 -32.8819 -32.8819 -14.7712 -14.7712 -14.5850 -14.5850 -14.4839 -14.4839 -14.1083 -14.1083 -13.9590 -13.9590 -13.9376 -13.9376 -13.8342 -13.8342 -13.7763 -13.7763 -13.7671 -13.7671 -3.4143 -3.4143 -2.2774 -2.2774 5.6811 5.6811 6.0169 6.0169 6.2670 6.2670 6.7634 6.7634 7.3581 7.3581 7.4362 7.4362 8.3824 8.3824 8.9639 8.9639 8.9816 8.9816 9.5846 9.5851 k = 0.1667 0.1667 0.1667 ( 4025 PWs) bands (ev): -32.9764 -32.9764 -32.8834 -32.8834 -32.8831 -32.8831 -14.7835 -14.7835 -14.5749 -14.5749 -14.4756 -14.4756 -14.1084 -14.1084 -13.9615 -13.9615 -13.9375 -13.9375 -13.8395 -13.8395 -13.7749 -13.7749 -13.7658 -13.7658 -3.4085 -3.4085 -2.2238 -2.2238 5.6021 5.6021 5.9441 5.9441 6.1824 6.1824 6.7653 6.7653 7.3177 7.3177 7.3906 7.3906 8.4354 8.4354 9.0106 9.0106 9.0266 9.0266 9.6511 9.6515 k = 0.1754 0.1754 0.1754 ( 4049 PWs) bands (ev): -32.9747 -32.9747 -32.8847 -32.8847 -32.8844 -32.8844 -14.7965 -14.7965 -14.5647 -14.5647 -14.4671 -14.4671 -14.1084 -14.1084 -13.9640 -13.9640 -13.9373 -13.9373 -13.8449 -13.8449 -13.7735 -13.7735 -13.7645 -13.7645 -3.4029 -3.4029 -2.1676 -2.1676 5.5220 5.5220 5.8697 5.8697 6.0980 6.0980 6.7680 6.7680 7.2789 7.2789 7.3468 7.3468 8.4903 8.4903 9.0583 9.0583 9.0728 9.0728 9.7189 9.7195 k = 0.1842 0.1842 0.1842 ( 4049 PWs) bands (ev): -32.9730 -32.9730 -32.8860 -32.8860 -32.8857 -32.8857 -14.8102 -14.8102 -14.5541 -14.5541 -14.4583 -14.4583 -14.1082 -14.1082 -13.9666 -13.9666 -13.9370 -13.9370 -13.8503 -13.8503 -13.7718 -13.7718 -13.7630 -13.7630 -3.3976 -3.3976 -2.1089 -2.1089 5.4408 5.4408 5.7942 5.7942 6.0141 6.0141 6.7713 6.7713 7.2419 7.2419 7.3050 7.3050 8.5468 8.5468 9.1071 9.1071 9.1202 9.1202 9.7879 9.7889 k = 0.1930 0.1930 0.1930 ( 4055 PWs) bands (ev): -32.9712 -32.9712 -32.8874 -32.8874 -32.8871 -32.8871 -14.8244 -14.8244 -14.5434 -14.5434 -14.4494 -14.4494 -14.1078 -14.1078 -13.9692 -13.9692 -13.9367 -13.9367 -13.8558 -13.8558 -13.7700 -13.7700 -13.7613 -13.7613 -3.3925 -3.3925 -2.0478 -2.0478 5.3591 5.3591 5.7177 5.7177 5.9307 5.9307 6.7750 6.7750 7.2066 7.2066 7.2651 7.2651 8.6046 8.6046 9.1568 9.1568 9.1687 9.1687 9.8581 9.8585 k = 0.2018 0.2018 0.2018 ( 4043 PWs) bands (ev): -32.9693 -32.9693 -32.8888 -32.8888 -32.8885 -32.8885 -14.8392 -14.8392 -14.5325 -14.5325 -14.4404 -14.4404 -14.1072 -14.1072 -13.9718 -13.9718 -13.9362 -13.9362 -13.8613 -13.8613 -13.7680 -13.7680 -13.7595 -13.7595 -3.3878 -3.3878 -1.9844 -1.9844 5.2769 5.2769 5.6406 5.6406 5.8480 5.8480 6.7789 6.7789 7.1731 7.1731 7.2272 7.2272 8.6636 8.6636 9.2075 9.2075 9.2184 9.2184 9.9291 9.9298 k = 0.2105 0.2105 0.2105 ( 4055 PWs) bands (ev): -32.9675 -32.9675 -32.8903 -32.8903 -32.8899 -32.8899 -14.8544 -14.8544 -14.5215 -14.5215 -14.4314 -14.4314 -14.1064 -14.1064 -13.9745 -13.9745 -13.9357 -13.9357 -13.8668 -13.8668 -13.7659 -13.7659 -13.7577 -13.7577 -3.3833 -3.3833 -1.9189 -1.9189 5.1947 5.1947 5.5630 5.5630 5.7659 5.7659 6.7830 6.7830 7.1413 7.1413 7.1912 7.1912 8.7235 8.7235 9.2589 9.2589 9.2690 9.2690 10.0008 10.0032 k = 0.2193 0.2193 0.2193 ( 4055 PWs) bands (ev): -32.9656 -32.9656 -32.8917 -32.8917 -32.8913 -32.8913 -14.8700 -14.8700 -14.5105 -14.5105 -14.4225 -14.4225 -14.1052 -14.1052 -13.9771 -13.9771 -13.9350 -13.9350 -13.8722 -13.8722 -13.7637 -13.7637 -13.7557 -13.7557 -3.3791 -3.3791 -1.8513 -1.8513 5.1125 5.1125 5.4852 5.4852 5.6847 5.6847 6.7873 6.7873 7.1113 7.1113 7.1573 7.1573 8.7841 8.7841 9.3112 9.3112 9.3205 9.3205 10.0733 10.0752 k = 0.2281 0.2281 0.2281 ( 4055 PWs) bands (ev): -32.9636 -32.9636 -32.8932 -32.8932 -32.8928 -32.8928 -14.8859 -14.8859 -14.4994 -14.4994 -14.4137 -14.4137 -14.1038 -14.1038 -13.9796 -13.9796 -13.9343 -13.9343 -13.8776 -13.8776 -13.7613 -13.7613 -13.7536 -13.7536 -3.3753 -3.3753 -1.7819 -1.7819 5.0307 5.0307 5.4075 5.4075 5.6042 5.6042 6.7915 6.7915 7.0830 7.0830 7.1253 7.1253 8.8449 8.8449 9.3641 9.3641 9.3728 9.3728 10.1462 10.1463 k = 0.2368 0.2368 0.2368 ( 4055 PWs) bands (ev): -32.9617 -32.9617 -32.8947 -32.8947 -32.8942 -32.8942 -14.9021 -14.9021 -14.4884 -14.4884 -14.4052 -14.4052 -14.1020 -14.1020 -13.9821 -13.9821 -13.9335 -13.9335 -13.8830 -13.8830 -13.7588 -13.7588 -13.7514 -13.7514 -3.3717 -3.3717 -1.7108 -1.7108 4.9494 4.9494 5.3301 5.3301 5.5245 5.5245 6.7957 6.7957 7.0564 7.0564 7.0952 7.0952 8.9058 8.9058 9.4176 9.4176 9.4259 9.4259 10.1905 10.1905 k = 0.2456 0.2456 0.2456 ( 4049 PWs) bands (ev): -32.9598 -32.9598 -32.8961 -32.8961 -32.8957 -32.8957 -14.9186 -14.9186 -14.4775 -14.4775 -14.3969 -14.3969 -14.0998 -14.0998 -13.9845 -13.9845 -13.9326 -13.9326 -13.8883 -13.8883 -13.7561 -13.7561 -13.7491 -13.7491 -3.3684 -3.3684 -1.6382 -1.6382 4.8689 4.8689 5.2533 5.2533 5.4458 5.4458 6.7997 6.7997 7.0315 7.0315 7.0670 7.0670 8.9664 8.9664 9.4716 9.4716 9.4795 9.4795 10.2146 10.2146 k = 0.2544 0.2544 0.2544 ( 4043 PWs) bands (ev): -32.9578 -32.9578 -32.8976 -32.8976 -32.8971 -32.8971 -14.9351 -14.9351 -14.4667 -14.4667 -14.3889 -14.3889 -14.0972 -14.0972 -13.9867 -13.9867 -13.9317 -13.9317 -13.8934 -13.8934 -13.7534 -13.7534 -13.7467 -13.7467 -3.3653 -3.3653 -1.5641 -1.5641 4.7893 4.7893 5.1772 5.1772 5.3679 5.3679 6.8034 6.8034 7.0083 7.0083 7.0406 7.0406 9.0264 9.0264 9.5259 9.5259 9.5335 9.5335 10.2345 10.2345 k = 0.2632 0.2632 0.2632 ( 4058 PWs) bands (ev): -32.9559 -32.9559 -32.8991 -32.8991 -32.8986 -32.8986 -14.9517 -14.9517 -14.4562 -14.4562 -14.3814 -14.3814 -14.0943 -14.0943 -13.9889 -13.9889 -13.9307 -13.9307 -13.8986 -13.8986 -13.7506 -13.7506 -13.7443 -13.7443 -3.3626 -3.3626 -1.4887 -1.4887 4.7108 4.7108 5.1020 5.1020 5.2910 5.2910 6.8069 6.8069 6.9866 6.9866 7.0161 7.0161 9.0853 9.0853 9.5802 9.5802 9.5878 9.5878 10.2514 10.2514 k = 0.2719 0.2719 0.2719 ( 4061 PWs) bands (ev): -32.9539 -32.9539 -32.9006 -32.9006 -32.9000 -32.9000 -14.9684 -14.9684 -14.4458 -14.4458 -14.3744 -14.3744 -14.0910 -14.0910 -13.9910 -13.9910 -13.9297 -13.9297 -13.9035 -13.9035 -13.7477 -13.7477 -13.7418 -13.7418 -3.3601 -3.3601 -1.4124 -1.4124 4.6336 4.6336 5.0280 5.0280 5.2150 5.2150 6.8100 6.8100 6.9665 6.9665 6.9932 6.9932 9.1428 9.1428 9.6347 9.6347 9.6422 9.6422 10.2658 10.2658 k = 0.2807 0.2807 0.2807 ( 4061 PWs) bands (ev): -32.9520 -32.9520 -32.9020 -32.9020 -32.9015 -32.9015 -14.9850 -14.9850 -14.4357 -14.4357 -14.3678 -14.3678 -14.0872 -14.0872 -13.9928 -13.9928 -13.9288 -13.9288 -13.9082 -13.9082 -13.7447 -13.7447 -13.7392 -13.7392 -3.3578 -3.3578 -1.3351 -1.3351 4.5577 4.5577 4.9554 4.9554 5.1400 5.1400 6.8127 6.8127 6.9479 6.9479 6.9720 6.9720 9.1985 9.1985 9.6889 9.6889 9.6965 9.6965 10.2781 10.2781 k = 0.2895 0.2895 0.2895 ( 4062 PWs) bands (ev): -32.9501 -32.9501 -32.9035 -32.9035 -32.9029 -32.9029 -15.0015 -15.0015 -14.4259 -14.4259 -14.3617 -14.3617 -14.0830 -14.0830 -13.9945 -13.9945 -13.9280 -13.9280 -13.9125 -13.9125 -13.7417 -13.7417 -13.7365 -13.7365 -3.3558 -3.3558 -1.2571 -1.2571 4.4835 4.4835 4.8843 4.8843 5.0661 5.0661 6.8150 6.8150 6.9308 6.9308 6.9524 6.9524 9.2519 9.2519 9.7429 9.7429 9.7506 9.7506 10.2887 10.2887 k = 0.2982 0.2982 0.2982 ( 4056 PWs) bands (ev): -32.9482 -32.9482 -32.9049 -32.9049 -32.9043 -32.9043 -15.0178 -15.0178 -14.4165 -14.4165 -14.3562 -14.3562 -14.0784 -14.0784 -13.9959 -13.9959 -13.9278 -13.9278 -13.9161 -13.9161 -13.7387 -13.7387 -13.7338 -13.7338 -3.3540 -3.3540 -1.1786 -1.1786 4.4109 4.4109 4.8149 4.8149 4.9933 4.9933 6.8168 6.8168 6.9150 6.9150 6.9343 6.9343 9.3026 9.3026 9.7963 9.7963 9.8043 9.8043 10.2978 10.2978 k = 0.3070 0.3070 0.3070 ( 4053 PWs) bands (ev): -32.9464 -32.9464 -32.9063 -32.9063 -32.9057 -32.9057 -15.0338 -15.0338 -14.4074 -14.4074 -14.3511 -14.3511 -14.0736 -14.0736 -13.9971 -13.9971 -13.9288 -13.9288 -13.9182 -13.9182 -13.7356 -13.7356 -13.7311 -13.7311 -3.3524 -3.3524 -1.0999 -1.0999 4.3401 4.3401 4.7473 4.7473 4.9216 4.9216 6.8181 6.8181 6.9007 6.9007 6.9178 6.9178 9.3503 9.3503 9.8489 9.8489 9.8573 9.8573 10.3059 10.3059 k = 0.3158 0.3158 0.3158 ( 4053 PWs) bands (ev): -32.9446 -32.9446 -32.9077 -32.9077 -32.9070 -32.9070 -15.0496 -15.0496 -14.3988 -14.3988 -14.3466 -14.3466 -14.0684 -14.0684 -13.9981 -13.9981 -13.9314 -13.9314 -13.9185 -13.9185 -13.7325 -13.7325 -13.7283 -13.7283 -3.3510 -3.3510 -1.0210 -1.0210 4.2712 4.2712 4.6818 4.6818 4.8511 4.8511 6.8189 6.8189 6.8876 6.8876 6.9026 6.9026 9.3945 9.3945 9.9006 9.9006 9.9095 9.9095 10.3131 10.3131 k = 0.3246 0.3246 0.3246 ( 4041 PWs) bands (ev): -32.9428 -32.9428 -32.9090 -32.9090 -32.9083 -32.9083 -15.0650 -15.0650 -14.3906 -14.3906 -14.3426 -14.3426 -14.0630 -14.0630 -13.9989 -13.9989 -13.9348 -13.9348 -13.9178 -13.9178 -13.7293 -13.7293 -13.7255 -13.7255 -3.3498 -3.3498 -0.9424 -0.9424 4.2044 4.2044 4.6184 4.6184 4.7820 4.7820 6.8192 6.8192 6.8758 6.8758 6.8887 6.8887 9.4350 9.4350 9.9512 9.9512 9.9607 9.9607 10.3197 10.3197 k = 0.3333 0.3333 0.3333 ( 4059 PWs) bands (ev): -32.9411 -32.9411 -32.9103 -32.9103 -32.9096 -32.9096 -15.0801 -15.0801 -14.3830 -14.3830 -14.3392 -14.3392 -14.0575 -14.0575 -13.9995 -13.9995 -13.9386 -13.9386 -13.9166 -13.9166 -13.7263 -13.7263 -13.7228 -13.7228 -3.3488 -3.3488 -0.8641 -0.8641 4.1397 4.1397 4.5573 4.5573 4.7143 4.7143 6.8190 6.8190 6.8652 6.8652 6.8761 6.8761 9.4714 9.4714 10.0003 10.0003 10.0105 10.0105 10.3256 10.3256 k = 0.3421 0.3421 0.3421 ( 4056 PWs) bands (ev): -32.9394 -32.9394 -32.9116 -32.9116 -32.9108 -32.9108 -15.0947 -15.0947 -14.3758 -14.3758 -14.3361 -14.3361 -14.0519 -14.0519 -13.9998 -13.9998 -13.9423 -13.9423 -13.9151 -13.9151 -13.7232 -13.7232 -13.7200 -13.7200 -3.3479 -3.3479 -0.7865 -0.7865 4.0773 4.0773 4.4986 4.4986 4.6481 4.6481 6.8183 6.8183 6.8557 6.8557 6.8648 6.8648 9.5037 9.5037 10.0478 10.0478 10.0589 10.0590 10.3313 10.3313 k = 0.3509 0.3509 0.3509 ( 4056 PWs) bands (ev): -32.9378 -32.9378 -32.9128 -32.9128 -32.9120 -32.9120 -15.1088 -15.1088 -14.3691 -14.3691 -14.3335 -14.3335 -14.0463 -14.0463 -13.9999 -13.9999 -13.9460 -13.9460 -13.9135 -13.9135 -13.7201 -13.7201 -13.7173 -13.7173 -3.3472 -3.3472 -0.7099 -0.7099 4.0172 4.0172 4.4424 4.4424 4.5836 4.5836 6.8171 6.8171 6.8472 6.8472 6.8545 6.8545 9.5317 9.5317 10.0935 10.0935 10.1057 10.1057 10.3368 10.3368 k = 0.3596 0.3596 0.3596 ( 4062 PWs) bands (ev): -32.9363 -32.9363 -32.9140 -32.9140 -32.9132 -32.9132 -15.1223 -15.1223 -14.3629 -14.3629 -14.3312 -14.3312 -14.0407 -14.0407 -13.9998 -13.9998 -13.9496 -13.9496 -13.9118 -13.9118 -13.7171 -13.7171 -13.7146 -13.7146 -3.3466 -3.3466 -0.6346 -0.6346 3.9594 3.9594 4.3889 4.3889 4.5209 4.5209 6.8154 6.8154 6.8398 6.8398 6.8453 6.8453 9.5555 9.5555 10.1369 10.1369 10.1505 10.1505 10.3421 10.3421 k = 0.3684 0.3684 0.3684 ( 4059 PWs) bands (ev): -32.9348 -32.9348 -32.9151 -32.9151 -32.9143 -32.9143 -15.1353 -15.1353 -14.3572 -14.3572 -14.3293 -14.3293 -14.0351 -14.0351 -13.9996 -13.9996 -13.9530 -13.9530 -13.9101 -13.9101 -13.7142 -13.7142 -13.7119 -13.7119 -3.3462 -3.3462 -0.5608 -0.5608 3.9042 3.9042 4.3381 4.3381 4.4603 4.4603 6.8134 6.8134 6.8333 6.8333 6.8371 6.8371 9.5752 9.5752 10.1779 10.1779 10.1933 10.1933 10.3475 10.3475 k = 0.3772 0.3772 0.3772 ( 4062 PWs) bands (ev): -32.9334 -32.9334 -32.9161 -32.9161 -32.9153 -32.9153 -15.1476 -15.1476 -14.3520 -14.3520 -14.3277 -14.3277 -14.0298 -14.0298 -13.9991 -13.9991 -13.9563 -13.9563 -13.9083 -13.9083 -13.7114 -13.7114 -13.7094 -13.7094 -3.3458 -3.3458 -0.4889 -0.4889 3.8516 3.8516 4.2901 4.2901 4.4019 4.4019 6.8111 6.8111 6.8276 6.8276 6.8298 6.8298 9.5911 9.5911 10.2159 10.2159 10.2338 10.2338 10.3531 10.3531 k = 0.3860 0.3860 0.3860 ( 4062 PWs) bands (ev): -32.9321 -32.9321 -32.9171 -32.9171 -32.9163 -32.9163 -15.1592 -15.1592 -14.3472 -14.3472 -14.3264 -14.3264 -14.0246 -14.0246 -13.9985 -13.9985 -13.9593 -13.9593 -13.9065 -13.9065 -13.7086 -13.7086 -13.7069 -13.7069 -3.3456 -3.3456 -0.4192 -0.4192 3.8017 3.8017 4.2451 4.2451 4.3459 4.3459 6.8087 6.8087 6.8226 6.8226 6.8233 6.8233 9.6035 9.6035 10.2504 10.2504 10.2717 10.2718 10.3593 10.3593 k = 0.3947 0.3947 0.3947 ( 4062 PWs) bands (ev): -32.9308 -32.9308 -32.9181 -32.9181 -32.9172 -32.9172 -15.1701 -15.1701 -14.3430 -14.3430 -14.3253 -14.3253 -14.0197 -14.0197 -13.9978 -13.9978 -13.9622 -13.9622 -13.9047 -13.9047 -13.7060 -13.7060 -13.7045 -13.7045 -3.3454 -3.3454 -0.3523 -0.3523 3.7546 3.7546 4.2031 4.2031 4.2927 4.2927 6.8062 6.8062 6.8177 6.8177 6.8182 6.8182 9.6127 9.6127 10.2805 10.2805 10.3070 10.3070 10.3665 10.3665 k = 0.4035 0.4035 0.4035 ( 4068 PWs) bands (ev): -32.9297 -32.9297 -32.9189 -32.9189 -32.9181 -32.9181 -15.1803 -15.1803 -14.3392 -14.3392 -14.3244 -14.3244 -14.0151 -14.0151 -13.9971 -13.9971 -13.9648 -13.9648 -13.9029 -13.9029 -13.7035 -13.7035 -13.7023 -13.7023 -3.3453 -3.3453 -0.2883 -0.2883 3.7103 3.7103 4.1641 4.1641 4.2424 4.2424 6.8038 6.8038 6.8128 6.8128 6.8142 6.8142 9.6192 9.6192 10.3049 10.3049 10.3394 10.3394 10.3758 10.3758 k = 0.4123 0.4123 0.4123 ( 4062 PWs) bands (ev): -32.9286 -32.9286 -32.9197 -32.9197 -32.9189 -32.9189 -15.1897 -15.1897 -14.3358 -14.3358 -14.3237 -14.3237 -14.0109 -14.0109 -13.9962 -13.9962 -13.9672 -13.9672 -13.9012 -13.9012 -13.7012 -13.7012 -13.7001 -13.7001 -3.3452 -3.3452 -0.2278 -0.2278 3.6690 3.6690 4.1284 4.1284 4.1954 4.1954 6.8015 6.8015 6.8085 6.8085 6.8106 6.8106 9.6234 9.6234 10.3223 10.3224 10.3686 10.3686 10.3876 10.3876 k = 0.4211 0.4211 0.4211 ( 4074 PWs) bands (ev): -32.9276 -32.9276 -32.9205 -32.9205 -32.9196 -32.9196 -15.1983 -15.1983 -14.3329 -14.3329 -14.3231 -14.3231 -14.0070 -14.0070 -13.9953 -13.9953 -13.9694 -13.9694 -13.8996 -13.8996 -13.6991 -13.6991 -13.6982 -13.6982 -3.3452 -3.3452 -0.1713 -0.1713 3.6309 3.6309 4.0958 4.0958 4.1518 4.1518 6.7994 6.7994 6.8048 6.8048 6.8073 6.8073 9.6258 9.6258 10.3331 10.3331 10.3942 10.3942 10.4011 10.4011 k = 0.4298 0.4298 0.4298 ( 4080 PWs) bands (ev): -32.9268 -32.9268 -32.9211 -32.9211 -32.9203 -32.9203 -15.2061 -15.2061 -14.3304 -14.3304 -14.3227 -14.3227 -14.0036 -14.0036 -13.9945 -13.9945 -13.9714 -13.9714 -13.8981 -13.8981 -13.6971 -13.6971 -13.6964 -13.6964 -3.3452 -3.3452 -0.1190 -0.1190 3.5960 3.5960 4.0665 4.0665 4.1120 4.1120 6.7976 6.7976 6.8017 6.8017 6.8043 6.8043 9.6266 9.6266 10.3389 10.3389 10.4136 10.4136 10.4156 10.4156 k = 0.4386 0.4386 0.4386 ( 4071 PWs) bands (ev): -32.9260 -32.9260 -32.9217 -32.9217 -32.9208 -32.9208 -15.2129 -15.2129 -14.3281 -14.3281 -14.3223 -14.3223 -14.0004 -14.0004 -13.9936 -13.9936 -13.9732 -13.9732 -13.8966 -13.8966 -13.6953 -13.6953 -13.6947 -13.6947 -3.3453 -3.3453 -0.0716 -0.0716 3.5646 3.5646 4.0405 4.0405 4.0762 4.0762 6.7961 6.7961 6.7991 6.7991 6.8016 6.8016 9.6265 9.6265 10.3412 10.3412 10.4228 10.4228 10.4317 10.4317 k = 0.4474 0.4474 0.4474 ( 4071 PWs) bands (ev): -32.9253 -32.9253 -32.9221 -32.9221 -32.9213 -32.9213 -15.2189 -15.2189 -14.3263 -14.3263 -14.3220 -14.3220 -13.9978 -13.9978 -13.9928 -13.9928 -13.9747 -13.9747 -13.8953 -13.8953 -13.6937 -13.6937 -13.6933 -13.6933 -3.3453 -3.3453 -0.0293 -0.0293 3.5369 3.5369 4.0179 4.0179 4.0447 4.0447 6.7949 6.7949 6.7969 6.7969 6.7992 6.7992 9.6257 9.6257 10.3411 10.3411 10.4277 10.4277 10.4410 10.4410 k = 0.4561 0.4561 0.4561 ( 4077 PWs) bands (ev): -32.9248 -32.9248 -32.9225 -32.9225 -32.9218 -32.9218 -15.2240 -15.2240 -14.3248 -14.3248 -14.3218 -14.3218 -13.9955 -13.9955 -13.9921 -13.9921 -13.9760 -13.9760 -13.8942 -13.8942 -13.6923 -13.6923 -13.6921 -13.6921 -3.3454 -3.3454 0.0073 0.0073 3.5129 3.5129 3.9987 3.9987 4.0177 4.0177 6.7938 6.7938 6.7952 6.7952 6.7971 6.7971 9.6244 9.6244 10.3393 10.3393 10.4292 10.4292 10.4432 10.4432 k = 0.4649 0.4649 0.4649 ( 4074 PWs) bands (ev): -32.9245 -32.9245 -32.9228 -32.9228 -32.9221 -32.9221 -15.2282 -15.2282 -14.3235 -14.3235 -14.3217 -14.3217 -13.9937 -13.9937 -13.9915 -13.9915 -13.9770 -13.9770 -13.8932 -13.8932 -13.6912 -13.6912 -13.6910 -13.6910 -3.3455 -3.3455 0.0378 0.0378 3.4930 3.4930 3.9830 3.9830 3.9953 3.9953 6.7930 6.7930 6.7938 6.7938 6.7953 6.7953 9.6231 9.6231 10.3366 10.3366 10.4290 10.4290 10.4403 10.4403 k = 0.4737 0.4737 0.4737 ( 4062 PWs) bands (ev): -32.9243 -32.9243 -32.9228 -32.9228 -32.9224 -32.9224 -15.2315 -15.2315 -14.3226 -14.3226 -14.3215 -14.3215 -13.9922 -13.9922 -13.9910 -13.9910 -13.9778 -13.9778 -13.8925 -13.8925 -13.6903 -13.6903 -13.6902 -13.6902 -3.3455 -3.3455 0.0620 0.0620 3.4773 3.4773 3.9708 3.9708 3.9777 3.9777 6.7924 6.7924 6.7928 6.7928 6.7939 6.7939 9.6218 9.6218 10.3337 10.3337 10.4284 10.4284 10.4356 10.4357 k = 0.4825 0.4825 0.4825 ( 4032 PWs) bands (ev): -32.9242 -32.9242 -32.9228 -32.9228 -32.9226 -32.9226 -15.2337 -15.2337 -14.3218 -14.3218 -14.3214 -14.3214 -13.9911 -13.9911 -13.9906 -13.9906 -13.9783 -13.9783 -13.8918 -13.8918 -13.6896 -13.6896 -13.6896 -13.6896 -3.3455 -3.3455 0.0794 0.0794 3.4660 3.4660 3.9620 3.9620 3.9651 3.9651 6.7919 6.7919 6.7920 6.7920 6.7930 6.7930 9.6208 9.6208 10.3312 10.3312 10.4279 10.4279 10.4314 10.4314 k = 0.4912 0.4912 0.4912 ( 4032 PWs) bands (ev): -32.9242 -32.9242 -32.9228 -32.9228 -32.9227 -32.9227 -15.2351 -15.2351 -14.3215 -14.3215 -14.3213 -14.3213 -13.9905 -13.9905 -13.9904 -13.9904 -13.9786 -13.9786 -13.8915 -13.8915 -13.6892 -13.6892 -13.6892 -13.6892 -3.3456 -3.3456 0.0900 0.0900 3.4591 3.4591 3.9567 3.9567 3.9575 3.9575 6.7916 6.7916 6.7916 6.7916 6.7925 6.7925 9.6201 9.6201 10.3294 10.3294 10.4275 10.4275 10.4284 10.4284 k = 0.5000 0.5000 0.5000 ( 4032 PWs) bands (ev): -32.9242 -32.9242 -32.9227 -32.9227 -32.9227 -32.9227 -15.2356 -15.2356 -14.3213 -14.3213 -14.3213 -14.3213 -13.9903 -13.9903 -13.9903 -13.9903 -13.9787 -13.9787 -13.8914 -13.8914 -13.6891 -13.6891 -13.6891 -13.6891 -3.3456 -3.3456 0.0935 0.0935 3.4568 3.4568 3.9550 3.9550 3.9550 3.9550 6.7915 6.7915 6.7915 6.7915 6.7923 6.7923 9.6199 9.6199 10.3288 10.3288 10.4274 10.4274 10.4274 10.4274 k = 0.5000 0.5000 0.5000 ( 4032 PWs) bands (ev): -32.9242 -32.9242 -32.9227 -32.9227 -32.9227 -32.9227 -15.2356 -15.2356 -14.3213 -14.3213 -14.3213 -14.3213 -13.9903 -13.9903 -13.9903 -13.9903 -13.9787 -13.9787 -13.8914 -13.8914 -13.6891 -13.6891 -13.6891 -13.6891 -3.3456 -3.3456 0.0935 0.0935 3.4568 3.4568 3.9550 3.9550 3.9550 3.9550 6.7915 6.7915 6.7915 6.7915 6.7923 6.7923 9.6199 9.6199 10.3288 10.3288 10.4274 10.4274 10.4274 10.4274 k = 0.4891 0.5000 0.4891 ( 4032 PWs) bands (ev): -32.9242 -32.9242 -32.9228 -32.9228 -32.9227 -32.9227 -15.2351 -15.2351 -14.3215 -14.3215 -14.3213 -14.3213 -13.9905 -13.9905 -13.9903 -13.9903 -13.9786 -13.9786 -13.8915 -13.8915 -13.6892 -13.6892 -13.6892 -13.6892 -3.3456 -3.3456 0.0899 0.0899 3.4592 3.4592 3.9562 3.9562 3.9581 3.9581 6.7915 6.7915 6.7917 6.7917 6.7925 6.7925 9.6201 9.6201 10.3295 10.3295 10.4275 10.4275 10.4285 10.4285 k = 0.4783 0.5000 0.4783 ( 4032 PWs) bands (ev): -32.9242 -32.9242 -32.9228 -32.9228 -32.9226 -32.9226 -15.2337 -15.2337 -14.3219 -14.3219 -14.3213 -14.3213 -13.9912 -13.9912 -13.9904 -13.9904 -13.9783 -13.9783 -13.8918 -13.8918 -13.6897 -13.6897 -13.6895 -13.6895 -3.3455 -3.3455 0.0791 0.0791 3.4661 3.4661 3.9601 3.9601 3.9675 3.9675 6.7913 6.7913 6.7925 6.7925 6.7932 6.7932 9.6208 9.6208 10.3312 10.3312 10.4277 10.4277 10.4317 10.4317 k = 0.4674 0.5000 0.4674 ( 4060 PWs) bands (ev): -32.9242 -32.9242 -32.9229 -32.9229 -32.9224 -32.9224 -15.2314 -15.2314 -14.3227 -14.3227 -14.3214 -14.3214 -13.9925 -13.9925 -13.9907 -13.9907 -13.9778 -13.9778 -13.8925 -13.8925 -13.6905 -13.6905 -13.6900 -13.6900 -3.3455 -3.3455 0.0613 0.0613 3.4775 3.4775 3.9665 3.9665 3.9831 3.9831 6.7909 6.7909 6.7936 6.7936 6.7946 6.7946 9.6218 9.6218 10.3337 10.3337 10.4274 10.4274 10.4370 10.4370 k = 0.4565 0.5000 0.4565 ( 4064 PWs) bands (ev): -32.9243 -32.9243 -32.9230 -32.9230 -32.9220 -32.9220 -15.2280 -15.2280 -14.3237 -14.3237 -14.3215 -14.3215 -13.9942 -13.9942 -13.9910 -13.9910 -13.9769 -13.9769 -13.8933 -13.8933 -13.6916 -13.6916 -13.6907 -13.6907 -3.3455 -3.3455 0.0368 0.0368 3.4930 3.4930 3.9758 3.9758 4.0047 4.0047 6.7904 6.7904 6.7952 6.7952 6.7967 6.7967 9.6232 9.6232 10.3366 10.3366 10.4262 10.4262 10.4445 10.4445 k = 0.4457 0.5000 0.4457 ( 4074 PWs) bands (ev): -32.9245 -32.9245 -32.9231 -32.9231 -32.9215 -32.9215 -15.2237 -15.2237 -14.3251 -14.3251 -14.3216 -14.3216 -13.9963 -13.9963 -13.9914 -13.9914 -13.9759 -13.9759 -13.8943 -13.8943 -13.6930 -13.6930 -13.6915 -13.6915 -3.3454 -3.3454 0.0059 0.0059 3.5121 3.5121 3.9879 3.9879 4.0322 4.0322 6.7897 6.7897 6.7972 6.7972 6.7995 6.7995 9.6248 9.6248 10.3387 10.3387 10.4228 10.4228 10.4541 10.4541 k = 0.4348 0.5000 0.4348 ( 4074 PWs) bands (ev): -32.9248 -32.9248 -32.9231 -32.9231 -32.9209 -32.9209 -15.2185 -15.2185 -14.3269 -14.3269 -14.3216 -14.3216 -13.9989 -13.9989 -13.9919 -13.9919 -13.9745 -13.9745 -13.8955 -13.8955 -13.6947 -13.6947 -13.6926 -13.6926 -3.3453 -3.3453 -0.0309 -0.0309 3.5343 3.5343 4.0033 4.0033 4.0655 4.0655 6.7888 6.7888 6.7996 6.7996 6.8031 6.8031 9.6264 9.6264 10.3387 10.3387 10.4166 10.4166 10.4660 10.4660 k = 0.4239 0.5000 0.4239 ( 4068 PWs) bands (ev): -32.9251 -32.9251 -32.9232 -32.9232 -32.9201 -32.9201 -15.2123 -15.2123 -14.3289 -14.3289 -14.3218 -14.3218 -14.0018 -14.0018 -13.9924 -13.9924 -13.9729 -13.9729 -13.8968 -13.8968 -13.6965 -13.6965 -13.6938 -13.6938 -3.3452 -3.3452 -0.0731 -0.0731 3.5590 3.5590 4.0222 4.0222 4.1041 4.1041 6.7878 6.7878 6.8025 6.8025 6.8073 6.8073 9.6278 9.6278 10.3344 10.3344 10.4084 10.4084 10.4801 10.4802 k = 0.4130 0.5000 0.4130 ( 4068 PWs) bands (ev): -32.9256 -32.9256 -32.9232 -32.9232 -32.9193 -32.9193 -15.2053 -15.2053 -14.3315 -14.3315 -14.3219 -14.3219 -14.0051 -14.0051 -13.9930 -13.9930 -13.9710 -13.9710 -13.8984 -13.8984 -13.6987 -13.6987 -13.6952 -13.6952 -3.3452 -3.3452 -0.1202 -0.1202 3.5857 3.5857 4.0449 4.0449 4.1479 4.1479 6.7865 6.7865 6.8058 6.8058 6.8124 6.8124 9.6288 9.6288 10.3228 10.3228 10.4006 10.4006 10.4878 10.4887 k = 0.4022 0.5000 0.4022 ( 4078 PWs) bands (ev): -32.9261 -32.9261 -32.9233 -32.9233 -32.9183 -32.9183 -15.1974 -15.1974 -14.3344 -14.3344 -14.3222 -14.3222 -14.0088 -14.0088 -13.9937 -13.9937 -13.9690 -13.9690 -13.9001 -13.9001 -13.7011 -13.7011 -13.6967 -13.6967 -3.3451 -3.3451 -0.1717 -0.1717 3.6137 3.6137 4.0718 4.0718 4.1963 4.1963 6.7851 6.7851 6.8095 6.8095 6.8183 6.8183 9.6290 9.6290 10.3026 10.3026 10.3950 10.3950 10.4732 10.4732 k = 0.3913 0.5000 0.3913 ( 4078 PWs) bands (ev): -32.9267 -32.9267 -32.9233 -32.9233 -32.9172 -32.9172 -15.1885 -15.1885 -14.3379 -14.3379 -14.3225 -14.3225 -14.0128 -14.0128 -13.9944 -13.9944 -13.9666 -13.9666 -13.9019 -13.9019 -13.7037 -13.7037 -13.6985 -13.6985 -3.3451 -3.3451 -0.2269 -0.2269 3.6424 3.6424 4.1030 4.1030 4.2491 4.2491 6.7836 6.7836 6.8137 6.8137 6.8250 6.8250 9.6284 9.6284 10.2746 10.2746 10.3913 10.3913 10.4567 10.4567 k = 0.3804 0.5000 0.3804 ( 4078 PWs) bands (ev): -32.9273 -32.9273 -32.9233 -32.9233 -32.9160 -32.9160 -15.1789 -15.1789 -14.3418 -14.3418 -14.3230 -14.3230 -14.0170 -14.0170 -13.9952 -13.9952 -13.9640 -13.9640 -13.9038 -13.9038 -13.7064 -13.7064 -13.7003 -13.7003 -3.3451 -3.3451 -0.2855 -0.2855 3.6713 3.6713 4.1390 4.1390 4.3057 4.3057 6.7818 6.7818 6.8183 6.8183 6.8327 6.8327 9.6266 9.6266 10.2403 10.2403 10.3883 10.3883 10.4386 10.4386 k = 0.3696 0.5000 0.3696 ( 4070 PWs) bands (ev): -32.9280 -32.9280 -32.9233 -32.9233 -32.9148 -32.9148 -15.1684 -15.1684 -14.3462 -14.3462 -14.3235 -14.3235 -14.0213 -14.0213 -13.9959 -13.9959 -13.9611 -13.9611 -13.9058 -13.9058 -13.7094 -13.7094 -13.7023 -13.7023 -3.3451 -3.3451 -0.3468 -0.3468 3.7001 3.7001 4.1799 4.1799 4.3658 4.3658 6.7798 6.7798 6.8233 6.8233 6.8412 6.8412 9.6233 9.6233 10.2011 10.2011 10.3853 10.3853 10.4189 10.4189 k = 0.3587 0.5000 0.3587 ( 4070 PWs) bands (ev): -32.9288 -32.9288 -32.9233 -32.9233 -32.9134 -32.9134 -15.1572 -15.1572 -14.3512 -14.3512 -14.3243 -14.3243 -14.0258 -14.0258 -13.9966 -13.9966 -13.9581 -13.9581 -13.9078 -13.9078 -13.7125 -13.7125 -13.7045 -13.7045 -3.3452 -3.3452 -0.4103 -0.4103 3.7285 3.7285 4.2258 4.2258 4.4288 4.4288 6.7775 6.7775 6.8288 6.8288 6.8507 6.8507 9.6182 9.6182 10.1577 10.1577 10.3815 10.3815 10.3979 10.3979 k = 0.3478 0.5000 0.3478 ( 4066 PWs) bands (ev): -32.9296 -32.9296 -32.9233 -32.9233 -32.9119 -32.9119 -15.1452 -15.1452 -14.3569 -14.3569 -14.3252 -14.3252 -14.0304 -14.0304 -13.9973 -13.9973 -13.9548 -13.9548 -13.9099 -13.9099 -13.7157 -13.7157 -13.7068 -13.7068 -3.3453 -3.3453 -0.4757 -0.4757 3.7564 3.7564 4.2765 4.2765 4.4944 4.4944 6.7750 6.7750 6.8347 6.8347 6.8610 6.8610 9.6111 9.6111 10.1108 10.1108 10.3739 10.3739 10.3785 10.3785 k = 0.3370 0.5000 0.3370 ( 4066 PWs) bands (ev): -32.9304 -32.9304 -32.9233 -32.9233 -32.9104 -32.9104 -15.1325 -15.1325 -14.3631 -14.3631 -14.3263 -14.3263 -14.0350 -14.0350 -13.9980 -13.9980 -13.9513 -13.9513 -13.9121 -13.9121 -13.7190 -13.7190 -13.7093 -13.7093 -3.3455 -3.3455 -0.5425 -0.5425 3.7838 3.7838 4.3319 4.3319 4.5622 4.5622 6.7723 6.7723 6.8410 6.8410 6.8723 6.8723 9.6018 9.6018 10.0607 10.0607 10.3513 10.3513 10.3720 10.3720 k = 0.3261 0.5000 0.3261 ( 4074 PWs) bands (ev): -32.9313 -32.9313 -32.9234 -32.9234 -32.9088 -32.9088 -15.1191 -15.1191 -14.3699 -14.3699 -14.3276 -14.3276 -14.0397 -14.0397 -13.9986 -13.9986 -13.9476 -13.9476 -13.9142 -13.9142 -13.7225 -13.7225 -13.7118 -13.7118 -3.3457 -3.3457 -0.6103 -0.6103 3.8107 3.8107 4.3917 4.3917 4.6317 4.6317 6.7692 6.7692 6.8477 6.8477 6.8844 6.8844 9.5900 9.5900 10.0077 10.0077 10.3266 10.3266 10.3655 10.3655 k = 0.3152 0.5000 0.3152 ( 4078 PWs) bands (ev): -32.9322 -32.9322 -32.9234 -32.9234 -32.9072 -32.9072 -15.1051 -15.1051 -14.3774 -14.3774 -14.3292 -14.3292 -14.0442 -14.0442 -13.9992 -13.9992 -13.9437 -13.9437 -13.9163 -13.9163 -13.7260 -13.7260 -13.7145 -13.7145 -3.3460 -3.3460 -0.6788 -0.6788 3.8372 3.8372 4.4556 4.4556 4.7026 4.7026 6.7658 6.7658 6.8548 6.8548 6.8973 6.8973 9.5756 9.5756 9.9522 9.9522 10.3010 10.3010 10.3581 10.3582 k = 0.3043 0.5000 0.3043 ( 4078 PWs) bands (ev): -32.9332 -32.9332 -32.9234 -32.9234 -32.9055 -32.9055 -15.0904 -15.0904 -14.3854 -14.3854 -14.3311 -14.3311 -14.0486 -14.0486 -13.9997 -13.9997 -13.9398 -13.9398 -13.9183 -13.9183 -13.7296 -13.7296 -13.7172 -13.7172 -3.3464 -3.3464 -0.7475 -0.7475 3.8635 3.8635 4.5232 4.5232 4.7746 4.7746 6.7620 6.7620 6.8623 6.8623 6.9109 6.9109 9.5587 9.5587 9.8944 9.8944 10.2746 10.2746 10.3500 10.3500 k = 0.2935 0.5000 0.2935 ( 4074 PWs) bands (ev): -32.9341 -32.9341 -32.9234 -32.9234 -32.9038 -32.9038 -15.0752 -15.0752 -14.3941 -14.3941 -14.3332 -14.3332 -14.0528 -14.0528 -14.0001 -14.0001 -13.9358 -13.9358 -13.9200 -13.9200 -13.7333 -13.7333 -13.7201 -13.7201 -3.3468 -3.3468 -0.8161 -0.8161 3.8897 3.8897 4.5941 4.5941 4.8473 4.8473 6.7578 6.7578 6.8701 6.8701 6.9252 6.9252 9.5391 9.5391 9.8346 9.8346 10.2477 10.2477 10.3410 10.3410 k = 0.2826 0.5000 0.2826 ( 4070 PWs) bands (ev): -32.9351 -32.9351 -32.9234 -32.9234 -32.9020 -32.9020 -15.0595 -15.0595 -14.4033 -14.4033 -14.3357 -14.3357 -14.0569 -14.0569 -14.0004 -14.0004 -13.9322 -13.9322 -13.9212 -13.9212 -13.7370 -13.7370 -13.7230 -13.7230 -3.3473 -3.3473 -0.8845 -0.8845 3.9160 3.9160 4.6678 4.6678 4.9208 4.9208 6.7532 6.7532 6.8783 6.8783 6.9400 6.9400 9.5172 9.5172 9.7730 9.7730 10.2205 10.2205 10.3313 10.3313 k = 0.2717 0.5000 0.2717 ( 4068 PWs) bands (ev): -32.9361 -32.9361 -32.9234 -32.9234 -32.9002 -32.9002 -15.0433 -15.0433 -14.4130 -14.4130 -14.3386 -14.3386 -14.0607 -14.0607 -14.0006 -14.0006 -13.9298 -13.9298 -13.9209 -13.9209 -13.7407 -13.7407 -13.7260 -13.7260 -3.3479 -3.3479 -0.9522 -0.9522 3.9424 3.9424 4.7437 4.7437 4.9946 4.9946 6.7482 6.7482 6.8867 6.8867 6.9552 6.9552 9.4930 9.4930 9.7100 9.7100 10.1932 10.1932 10.3211 10.3211 k = 0.2609 0.5000 0.2609 ( 4064 PWs) bands (ev): -32.9371 -32.9371 -32.9235 -32.9235 -32.8984 -32.8984 -15.0266 -15.0266 -14.4231 -14.4231 -14.3419 -14.3419 -14.0643 -14.0643 -14.0008 -14.0008 -13.9296 -13.9296 -13.9182 -13.9182 -13.7445 -13.7445 -13.7291 -13.7291 -3.3486 -3.3486 -1.0191 -1.0191 3.9691 3.9691 4.8216 4.8216 5.0687 5.0687 6.7426 6.7426 6.8955 6.8955 6.9706 6.9706 9.4669 9.4669 9.6458 9.6458 10.1658 10.1658 10.3103 10.3103 k = 0.2500 0.5000 0.2500 ( 4076 PWs) bands (ev): -32.9381 -32.9381 -32.9235 -32.9235 -32.8966 -32.8966 -15.0095 -15.0095 -14.4337 -14.4337 -14.3456 -14.3456 -14.0677 -14.0677 -14.0009 -14.0009 -13.9305 -13.9305 -13.9142 -13.9142 -13.7483 -13.7483 -13.7322 -13.7322 -3.3493 -3.3493 -1.0849 -1.0849 3.9960 3.9960 4.9006 4.9006 5.1431 5.1431 6.7366 6.7366 6.9045 6.9045 6.9860 6.9860 9.4392 9.4392 9.5807 9.5807 10.1388 10.1388 10.2990 10.2990 k = 0.2391 0.5000 0.2391 ( 4064 PWs) bands (ev): -32.9391 -32.9391 -32.9235 -32.9235 -32.8947 -32.8947 -14.9921 -14.9921 -14.4445 -14.4445 -14.3498 -14.3498 -14.0708 -14.0708 -14.0009 -14.0009 -13.9317 -13.9317 -13.9096 -13.9096 -13.7520 -13.7520 -13.7353 -13.7353 -3.3501 -3.3501 -1.1493 -1.1493 4.0233 4.0233 4.9804 4.9804 5.2177 5.2177 6.7300 6.7300 6.9137 6.9137 7.0013 7.0013 9.4104 9.4104 9.5150 9.5150 10.1122 10.1122 10.2871 10.2871 k = 0.2283 0.5000 0.2283 ( 4078 PWs) bands (ev): -32.9401 -32.9401 -32.9235 -32.9235 -32.8929 -32.8929 -14.9743 -14.9743 -14.4556 -14.4556 -14.3545 -14.3545 -14.0737 -14.0737 -14.0009 -14.0009 -13.9330 -13.9330 -13.9048 -13.9048 -13.7558 -13.7558 -13.7385 -13.7385 -3.3510 -3.3510 -1.2123 -1.2123 4.0509 4.0509 5.0602 5.0602 5.2926 5.2926 6.7229 6.7229 6.9232 6.9232 7.0161 7.0161 9.3810 9.3810 9.4490 9.4490 10.0862 10.0862 10.2746 10.2746 k = 0.2174 0.5000 0.2174 ( 4076 PWs) bands (ev): -32.9411 -32.9411 -32.9235 -32.9235 -32.8911 -32.8911 -14.9563 -14.9563 -14.4668 -14.4668 -14.3596 -14.3596 -14.0763 -14.0763 -14.0009 -14.0009 -13.9342 -13.9342 -13.8998 -13.8998 -13.7595 -13.7595 -13.7417 -13.7417 -3.3519 -3.3519 -1.2735 -1.2735 4.0789 4.0789 5.1395 5.1395 5.3678 5.3678 6.7152 6.7152 6.9327 6.9327 7.0304 7.0304 9.3514 9.3514 9.3832 9.3832 10.0611 10.0611 10.2616 10.2616 k = 0.2065 0.5000 0.2065 ( 4072 PWs) bands (ev): -32.9421 -32.9421 -32.9236 -32.9236 -32.8893 -32.8893 -14.9381 -14.9381 -14.4781 -14.4781 -14.3652 -14.3652 -14.0786 -14.0786 -14.0009 -14.0009 -13.9351 -13.9351 -13.8948 -13.8948 -13.7633 -13.7633 -13.7449 -13.7449 -3.3529 -3.3529 -1.3328 -1.3328 4.1071 4.1071 5.2175 5.2175 5.4434 5.4434 6.7070 6.7070 6.9423 6.9423 7.0439 7.0439 9.3168 9.3168 9.3233 9.3233 10.0370 10.0370 10.2480 10.2480 k = 0.1957 0.5000 0.1957 ( 4068 PWs) bands (ev): -32.9430 -32.9430 -32.9236 -32.9236 -32.8875 -32.8875 -14.9196 -14.9196 -14.4893 -14.4893 -14.3714 -14.3714 -14.0807 -14.0807 -14.0009 -14.0009 -13.9358 -13.9358 -13.8898 -13.8898 -13.7669 -13.7669 -13.7481 -13.7481 -3.3539 -3.3539 -1.3901 -1.3901 4.1355 4.1355 5.2938 5.2938 5.5195 5.5195 6.6983 6.6983 6.9520 6.9520 7.0563 7.0563 9.2526 9.2526 9.2946 9.2946 10.0142 10.0142 10.2336 10.2336 k = 0.1848 0.5000 0.1848 ( 4080 PWs) bands (ev): -32.9440 -32.9440 -32.9236 -32.9236 -32.8858 -32.8858 -14.9011 -14.9011 -14.5005 -14.5005 -14.3782 -14.3782 -14.0825 -14.0825 -14.0010 -14.0010 -13.9364 -13.9364 -13.8848 -13.8848 -13.7705 -13.7705 -13.7513 -13.7513 -3.3550 -3.3550 -1.4451 -1.4451 4.1640 4.1640 5.3677 5.3677 5.5959 5.5959 6.6891 6.6891 6.9617 6.9617 7.0674 7.0674 9.1888 9.1888 9.2680 9.2680 9.9927 9.9927 10.2186 10.2186 k = 0.1739 0.5000 0.1739 ( 4062 PWs) bands (ev): -32.9449 -32.9449 -32.9236 -32.9236 -32.8842 -32.8842 -14.8824 -14.8824 -14.5114 -14.5114 -14.3854 -14.3854 -14.0841 -14.0841 -14.0011 -14.0011 -13.9366 -13.9366 -13.8798 -13.8798 -13.7740 -13.7740 -13.7543 -13.7543 -3.3561 -3.3561 -1.4978 -1.4978 4.1925 4.1925 5.4389 5.4389 5.6724 5.6724 6.6795 6.6795 6.9713 6.9713 7.0770 7.0770 9.1263 9.1263 9.2434 9.2434 9.9728 9.9728 10.2029 10.2029 k = 0.1630 0.5000 0.1630 ( 4062 PWs) bands (ev): -32.9458 -32.9458 -32.9236 -32.9236 -32.8826 -32.8826 -14.8638 -14.8638 -14.5221 -14.5221 -14.3933 -14.3933 -14.0855 -14.0855 -14.0013 -14.0013 -13.9367 -13.9367 -13.8749 -13.8749 -13.7775 -13.7775 -13.7574 -13.7574 -3.3572 -3.3572 -1.5480 -1.5480 4.2209 4.2209 5.5072 5.5072 5.7487 5.7487 6.6695 6.6695 6.9808 6.9808 7.0850 7.0850 9.0654 9.0654 9.2211 9.2211 9.9545 9.9545 10.1865 10.1865 k = 0.1522 0.5000 0.1522 ( 4074 PWs) bands (ev): -32.9466 -32.9466 -32.9236 -32.9236 -32.8810 -32.8810 -14.8451 -14.8451 -14.5325 -14.5325 -14.4017 -14.4017 -14.0867 -14.0867 -14.0017 -14.0017 -13.9365 -13.9365 -13.8702 -13.8702 -13.7809 -13.7809 -13.7604 -13.7604 -3.3583 -3.3583 -1.5955 -1.5955 4.2490 4.2490 5.5723 5.5723 5.8241 5.8241 6.6593 6.6593 6.9900 6.9900 7.0913 7.0913 9.0065 9.0065 9.2016 9.2016 9.9380 9.9380 10.1695 10.1695 k = 0.1413 0.5000 0.1413 ( 4070 PWs) bands (ev): -32.9474 -32.9474 -32.9236 -32.9236 -32.8796 -32.8796 -14.8266 -14.8266 -14.5423 -14.5423 -14.4106 -14.4106 -14.0877 -14.0877 -14.0020 -14.0020 -13.9361 -13.9361 -13.8656 -13.8656 -13.7842 -13.7842 -13.7632 -13.7632 -3.3594 -3.3594 -1.6403 -1.6403 4.2766 4.2766 5.6344 5.6344 5.8980 5.8980 6.6489 6.6489 6.9990 6.9990 7.0957 7.0957 8.9499 8.9499 9.1850 9.1850 9.9236 9.9236 10.1518 10.1518 k = 0.1304 0.5000 0.1304 ( 4070 PWs) bands (ev): -32.9482 -32.9482 -32.9237 -32.9237 -32.8782 -32.8782 -14.8081 -14.8081 -14.5517 -14.5517 -14.4201 -14.4201 -14.0885 -14.0885 -14.0025 -14.0025 -13.9355 -13.9355 -13.8612 -13.8612 -13.7874 -13.7874 -13.7659 -13.7659 -3.3604 -3.3604 -1.6822 -1.6822 4.3036 4.3036 5.6933 5.6933 5.9695 5.9695 6.6385 6.6385 7.0077 7.0077 7.0983 7.0983 8.8958 8.8958 9.1715 9.1715 9.9112 9.9112 10.1336 10.1336 k = 0.1196 0.5000 0.1196 ( 4066 PWs) bands (ev): -32.9489 -32.9489 -32.9237 -32.9237 -32.8769 -32.8769 -14.7899 -14.7899 -14.5604 -14.5604 -14.4301 -14.4301 -14.0891 -14.0891 -14.0029 -14.0029 -13.9348 -13.9348 -13.8569 -13.8569 -13.7905 -13.7905 -13.7685 -13.7685 -3.3615 -3.3615 -1.7211 -1.7211 4.3296 4.3296 5.7492 5.7492 6.0377 6.0377 6.6285 6.6285 7.0160 7.0160 7.0992 7.0992 8.8446 8.8446 9.1612 9.1612 9.9011 9.9011 10.1151 10.1151 k = 0.1087 0.5000 0.1087 ( 4062 PWs) bands (ev): -32.9496 -32.9496 -32.9237 -32.9237 -32.8757 -32.8757 -14.7719 -14.7719 -14.5684 -14.5684 -14.4406 -14.4406 -14.0896 -14.0896 -14.0035 -14.0035 -13.9339 -13.9339 -13.8529 -13.8529 -13.7935 -13.7935 -13.7709 -13.7709 -3.3625 -3.3625 -1.7570 -1.7570 4.3546 4.3546 5.8021 5.8021 6.1016 6.1016 6.6191 6.6191 7.0238 7.0238 7.0985 7.0985 8.7965 8.7965 9.1539 9.1539 9.8933 9.8933 10.0964 10.0964 k = 0.0978 0.5000 0.0978 ( 4066 PWs) bands (ev): -32.9502 -32.9502 -32.9237 -32.9237 -32.8746 -32.8746 -14.7544 -14.7544 -14.5755 -14.5755 -14.4516 -14.4516 -14.0900 -14.0900 -14.0040 -14.0040 -13.9329 -13.9329 -13.8491 -13.8491 -13.7964 -13.7964 -13.7731 -13.7731 -3.3635 -3.3635 -1.7897 -1.7897 4.3782 4.3782 5.8519 5.8519 6.1600 6.1600 6.6108 6.6108 7.0311 7.0311 7.0964 7.0964 8.7519 8.7519 9.1494 9.1494 9.8879 9.8879 10.0777 10.0777 k = 0.0870 0.5000 0.0870 ( 4062 PWs) bands (ev): -32.9507 -32.9507 -32.9237 -32.9237 -32.8735 -32.8735 -14.7373 -14.7373 -14.5818 -14.5818 -14.4631 -14.4631 -14.0903 -14.0903 -14.0046 -14.0046 -13.9319 -13.9319 -13.8456 -13.8456 -13.7991 -13.7991 -13.7750 -13.7750 -3.3643 -3.3643 -1.8192 -1.8192 4.4002 4.4002 5.8986 5.8986 6.2118 6.2118 6.6043 6.6043 7.0378 7.0378 7.0932 7.0932 8.7111 8.7111 9.1475 9.1475 9.8849 9.8849 10.0593 10.0594 k = 0.0761 0.5000 0.0761 ( 4064 PWs) bands (ev): -32.9512 -32.9512 -32.9237 -32.9237 -32.8726 -32.8726 -14.7210 -14.7210 -14.5868 -14.5868 -14.4750 -14.4750 -14.0905 -14.0905 -14.0051 -14.0051 -13.9309 -13.9309 -13.8422 -13.8422 -13.8018 -13.8018 -13.7768 -13.7768 -3.3651 -3.3651 -1.8454 -1.8454 4.4203 4.4203 5.9419 5.9419 6.2555 6.2555 6.6002 6.6002 7.0437 7.0437 7.0893 7.0893 8.6744 8.6744 9.1477 9.1477 9.8845 9.8845 10.0416 10.0416 k = 0.0652 0.5000 0.0652 ( 4068 PWs) bands (ev): -32.9516 -32.9516 -32.9237 -32.9237 -32.8719 -32.8719 -14.7057 -14.7057 -14.5906 -14.5906 -14.4872 -14.4872 -14.0907 -14.0907 -14.0057 -14.0057 -13.9299 -13.9299 -13.8392 -13.8392 -13.8044 -13.8044 -13.7783 -13.7783 -3.3659 -3.3659 -1.8682 -1.8682 4.4384 4.4384 5.9817 5.9817 6.2903 6.2903 6.5994 6.5994 7.0489 7.0489 7.0850 7.0850 8.6418 8.6418 9.1495 9.1495 9.8867 9.8867 10.0250 10.0250 k = 0.0543 0.5000 0.0543 ( 4076 PWs) bands (ev): -32.9520 -32.9520 -32.9237 -32.9237 -32.8712 -32.8712 -14.6917 -14.6917 -14.5926 -14.5926 -14.4997 -14.4997 -14.0908 -14.0908 -14.0061 -14.0061 -13.9290 -13.9290 -13.8364 -13.8364 -13.8068 -13.8068 -13.7796 -13.7796 -3.3665 -3.3665 -1.8876 -1.8876 4.4542 4.4542 6.0176 6.0176 6.3154 6.3154 6.6019 6.6019 7.0532 7.0532 7.0807 7.0807 8.6139 8.6139 9.1524 9.1524 9.8915 9.8915 10.0098 10.0098 k = 0.0435 0.5000 0.0435 ( 4076 PWs) bands (ev): -32.9523 -32.9523 -32.9237 -32.9237 -32.8706 -32.8706 -14.6795 -14.6795 -14.5925 -14.5925 -14.5125 -14.5125 -14.0909 -14.0909 -14.0065 -14.0065 -13.9282 -13.9282 -13.8339 -13.8339 -13.8091 -13.8091 -13.7806 -13.7806 -3.3670 -3.3670 -1.9035 -1.9035 4.4674 4.4674 6.0491 6.0491 6.3314 6.3314 6.6075 6.6075 7.0564 7.0564 7.0770 7.0770 8.5906 8.5906 9.1559 9.1559 9.8989 9.8989 9.9964 9.9964 k = 0.0326 0.5000 0.0326 ( 4080 PWs) bands (ev): -32.9525 -32.9525 -32.9237 -32.9237 -32.8702 -32.8702 -14.6699 -14.6699 -14.5898 -14.5898 -14.5252 -14.5252 -14.0909 -14.0909 -14.0069 -14.0069 -13.9276 -13.9276 -13.8317 -13.8317 -13.8112 -13.8112 -13.7814 -13.7814 -3.3674 -3.3674 -1.9159 -1.9159 4.4779 4.4779 6.0753 6.0753 6.3400 6.3400 6.6145 6.6145 7.0585 7.0585 7.0742 7.0742 8.5723 8.5723 9.1593 9.1593 9.9090 9.9090 9.9852 9.9852 k = 0.0217 0.5000 0.0217 ( 4082 PWs) bands (ev): -32.9527 -32.9527 -32.9237 -32.9237 -32.8699 -32.8699 -14.6631 -14.6631 -14.5845 -14.5845 -14.5376 -14.5376 -14.0909 -14.0909 -14.0071 -14.0071 -13.9271 -13.9271 -13.8298 -13.8298 -13.8129 -13.8129 -13.7819 -13.7819 -3.3677 -3.3677 -1.9248 -1.9248 4.4855 4.4855 6.0953 6.0953 6.3435 6.3435 6.6212 6.6212 7.0593 7.0593 7.0727 7.0727 8.5592 8.5592 9.1622 9.1622 9.9214 9.9214 9.9762 9.9765 k = 0.0109 0.5000 0.0109 ( 4074 PWs) bands (ev): -32.9528 -32.9528 -32.9237 -32.9237 -32.8697 -32.8697 -14.6592 -14.6592 -14.5773 -14.5773 -14.5489 -14.5489 -14.0909 -14.0909 -14.0073 -14.0073 -13.9268 -13.9268 -13.8285 -13.8285 -13.8141 -13.8141 -13.7822 -13.7822 -3.3679 -3.3679 -1.9302 -1.9302 4.4901 4.4901 6.1080 6.1080 6.3443 6.3443 6.6260 6.6260 7.0593 7.0593 7.0721 7.0721 8.5512 8.5512 9.1641 9.1641 9.9356 9.9356 9.9682 9.9682 k = 0.0000 0.5000-0.0000 ( 4068 PWs) bands (ev): -32.9528 -32.9528 -32.9237 -32.9237 -32.8696 -32.8696 -14.6579 -14.6579 -14.5725 -14.5725 -14.5550 -14.5550 -14.0909 -14.0909 -14.0073 -14.0073 -13.9267 -13.9267 -13.8280 -13.8280 -13.8145 -13.8145 -13.7823 -13.7823 -3.3680 -3.3680 -1.9320 -1.9320 4.4916 4.4916 6.1123 6.1123 6.3444 6.3444 6.6277 6.6277 7.0593 7.0593 7.0720 7.0720 8.5486 8.5486 9.1647 9.1647 9.9460 9.9460 9.9606 9.9607 k = 0.5000 0.5000-0.0000 ( 4076 PWs) bands (ev): -32.9240 -32.9240 -32.9230 -32.9230 -32.9113 -32.9113 -14.9096 -14.9096 -14.5788 -14.5788 -14.3121 -14.3121 -14.0222 -14.0222 -13.9898 -13.9898 -13.9807 -13.9807 -13.8571 -13.8571 -13.8311 -13.8311 -13.7127 -13.7127 -3.3417 -3.3417 -0.9600 -0.9600 3.8065 3.8065 4.1435 4.1435 5.9257 5.9257 6.8491 6.8491 6.8991 6.8991 7.0752 7.0752 9.6180 9.6180 9.6324 9.6324 9.6910 9.6910 10.6110 10.6234 k = 0.5000 0.5000 0.0152 ( 4076 PWs) bands (ev): -32.9240 -32.9240 -32.9230 -32.9230 -32.9113 -32.9113 -14.9111 -14.9111 -14.5773 -14.5773 -14.3121 -14.3121 -14.0226 -14.0226 -13.9898 -13.9898 -13.9801 -13.9801 -13.8588 -13.8588 -13.8293 -13.8293 -13.7126 -13.7126 -3.3418 -3.3418 -0.9583 -0.9583 3.8060 3.8060 4.1432 4.1432 5.9213 5.9213 6.8486 6.8486 6.8985 6.8985 7.0745 7.0745 9.6204 9.6204 9.6347 9.6347 9.6912 9.6912 10.6112 10.6206 k = 0.5000 0.5000 0.0303 ( 4076 PWs) bands (ev): -32.9240 -32.9240 -32.9230 -32.9230 -32.9114 -32.9114 -14.9157 -14.9157 -14.5728 -14.5728 -14.3122 -14.3122 -14.0239 -14.0239 -13.9898 -13.9898 -13.9785 -13.9785 -13.8630 -13.8630 -13.8250 -13.8250 -13.7125 -13.7125 -3.3418 -3.3418 -0.9530 -0.9530 3.8045 3.8045 4.1420 4.1420 5.9079 5.9079 6.8472 6.8472 6.8967 6.8967 7.0723 7.0723 9.6276 9.6276 9.6415 9.6415 9.6918 9.6918 10.6115 10.6270 k = 0.5000 0.5000 0.0455 ( 4084 PWs) bands (ev): -32.9240 -32.9240 -32.9230 -32.9230 -32.9115 -32.9115 -14.9230 -14.9230 -14.5656 -14.5656 -14.3123 -14.3123 -14.0258 -14.0258 -13.9898 -13.9898 -13.9759 -13.9759 -13.8684 -13.8684 -13.8194 -13.8194 -13.7123 -13.7123 -3.3418 -3.3418 -0.9443 -0.9443 3.8020 3.8020 4.1400 4.1400 5.8858 5.8858 6.8448 6.8448 6.8938 6.8938 7.0687 7.0687 9.6393 9.6393 9.6521 9.6521 9.6932 9.6932 10.6136 10.6172 k = 0.5000 0.5000 0.0606 ( 4068 PWs) bands (ev): -32.9240 -32.9240 -32.9230 -32.9230 -32.9117 -32.9117 -14.9326 -14.9326 -14.5560 -14.5560 -14.3124 -14.3124 -14.0280 -14.0280 -13.9898 -13.9898 -13.9727 -13.9727 -13.8743 -13.8743 -13.8132 -13.8132 -13.7119 -13.7119 -3.3419 -3.3419 -0.9321 -0.9321 3.7986 3.7986 4.1373 4.1373 5.8552 5.8552 6.8417 6.8417 6.8898 6.8898 7.0637 7.0637 9.6556 9.6556 9.6650 9.6650 9.6970 9.6970 10.6128 10.6200 k = 0.5000 0.5000 0.0758 ( 4068 PWs) bands (ev): -32.9240 -32.9240 -32.9230 -32.9230 -32.9119 -32.9119 -14.9441 -14.9441 -14.5447 -14.5447 -14.3126 -14.3126 -14.0304 -14.0304 -13.9897 -13.9897 -13.9690 -13.9690 -13.8804 -13.8804 -13.8067 -13.8067 -13.7115 -13.7115 -3.3420 -3.3420 -0.9165 -0.9165 3.7942 3.7942 4.1338 4.1338 5.8163 5.8163 6.8379 6.8379 6.8850 6.8850 7.0574 7.0574 9.6756 9.6756 9.6762 9.6762 9.7073 9.7073 10.6143 10.6233 k = 0.5000 0.5000 0.0909 ( 4076 PWs) bands (ev): -32.9240 -32.9240 -32.9230 -32.9230 -32.9122 -32.9122 -14.9571 -14.9571 -14.5320 -14.5320 -14.3128 -14.3128 -14.0328 -14.0328 -13.9897 -13.9897 -13.9650 -13.9650 -13.8866 -13.8866 -13.8002 -13.8002 -13.7111 -13.7111 -3.3420 -3.3420 -0.8976 -0.8976 3.7888 3.7888 4.1295 4.1295 5.7695 5.7695 6.8336 6.8336 6.8793 6.8793 7.0499 7.0499 9.6804 9.6804 9.7006 9.7006 9.7274 9.7274 10.6143 10.6154 k = 0.5000 0.5000 0.1061 ( 4068 PWs) bands (ev): -32.9239 -32.9239 -32.9230 -32.9230 -32.9126 -32.9126 -14.9711 -14.9711 -14.5182 -14.5182 -14.3130 -14.3130 -14.0351 -14.0351 -13.9897 -13.9897 -13.9608 -13.9608 -13.8926 -13.8926 -13.7936 -13.7936 -13.7105 -13.7105 -3.3422 -3.3422 -0.8753 -0.8753 3.7826 3.7826 4.1246 4.1246 5.7152 5.7152 6.8289 6.8289 6.8731 6.8731 7.0412 7.0412 9.6819 9.6819 9.7288 9.7288 9.7543 9.7543 10.6147 10.6150 k = 0.5000 0.5000 0.1212 ( 4068 PWs) bands (ev): -32.9239 -32.9239 -32.9230 -32.9230 -32.9129 -32.9129 -14.9860 -14.9860 -14.5039 -14.5039 -14.3133 -14.3133 -14.0371 -14.0371 -13.9897 -13.9897 -13.9565 -13.9565 -13.8987 -13.8987 -13.7870 -13.7870 -13.7099 -13.7099 -3.3423 -3.3423 -0.8498 -0.8498 3.7755 3.7755 4.1190 4.1190 5.6540 5.6540 6.8239 6.8239 6.8664 6.8664 7.0315 7.0315 9.6820 9.6820 9.7601 9.7601 9.7856 9.7856 10.6143 10.6144 k = 0.5000 0.5000 0.1364 ( 4068 PWs) bands (ev): -32.9239 -32.9239 -32.9230 -32.9230 -32.9133 -32.9133 -15.0013 -15.0013 -14.4892 -14.4892 -14.3136 -14.3136 -14.0388 -14.0388 -13.9896 -13.9896 -13.9522 -13.9522 -13.9046 -13.9046 -13.7805 -13.7805 -13.7092 -13.7092 -3.3424 -3.3424 -0.8212 -0.8212 3.7676 3.7676 4.1128 4.1128 5.5864 5.5864 6.8188 6.8188 6.8594 6.8594 7.0209 7.0209 9.6815 9.6815 9.7943 9.7943 9.8202 9.8202 10.6132 10.6133 k = 0.5000 0.5000 0.1515 ( 4068 PWs) bands (ev): -32.9239 -32.9239 -32.9229 -32.9229 -32.9138 -32.9138 -15.0169 -15.0169 -14.4745 -14.4745 -14.3139 -14.3139 -14.0402 -14.0402 -13.9896 -13.9896 -13.9478 -13.9478 -13.9103 -13.9103 -13.7740 -13.7740 -13.7084 -13.7084 -3.3425 -3.3425 -0.7896 -0.7896 3.7589 3.7589 4.1061 4.1061 5.5129 5.5129 6.8138 6.8138 6.8523 6.8523 7.0095 7.0095 9.6804 9.6804 9.8309 9.8309 9.8574 9.8574 10.6111 10.6113 k = 0.5000 0.5000 0.1667 ( 4076 PWs) bands (ev): -32.9239 -32.9239 -32.9229 -32.9229 -32.9143 -32.9143 -15.0327 -15.0327 -14.4600 -14.4600 -14.3143 -14.3143 -14.0412 -14.0412 -13.9896 -13.9896 -13.9435 -13.9435 -13.9160 -13.9160 -13.7677 -13.7677 -13.7076 -13.7076 -3.3427 -3.3427 -0.7551 -0.7551 3.7495 3.7495 4.0988 4.0988 5.4342 5.4342 6.8089 6.8089 6.8452 6.8452 6.9974 6.9974 9.6789 9.6789 9.8693 9.8693 9.8966 9.8966 10.6079 10.6089 k = 0.5000 0.5000 0.1818 ( 4076 PWs) bands (ev): -32.9239 -32.9239 -32.9229 -32.9229 -32.9148 -32.9148 -15.0483 -15.0483 -14.4459 -14.4459 -14.3147 -14.3147 -14.0416 -14.0416 -13.9895 -13.9895 -13.9393 -13.9393 -13.9214 -13.9214 -13.7615 -13.7615 -13.7067 -13.7067 -3.3429 -3.3429 -0.7178 -0.7178 3.7394 3.7394 4.0910 4.0910 5.3510 5.3510 6.8043 6.8043 6.8383 6.8383 6.9848 6.9848 9.6771 9.6771 9.9092 9.9092 9.9373 9.9373 10.6034 10.6036 k = 0.5000 0.5000 0.1970 ( 4084 PWs) bands (ev): -32.9239 -32.9239 -32.9229 -32.9229 -32.9153 -32.9153 -15.0638 -15.0638 -14.4322 -14.4322 -14.3151 -14.3151 -14.0416 -14.0416 -13.9895 -13.9895 -13.9352 -13.9352 -13.9267 -13.9267 -13.7554 -13.7554 -13.7057 -13.7057 -3.3430 -3.3430 -0.6780 -0.6780 3.7286 3.7286 4.0828 4.0828 5.2640 5.2640 6.8000 6.8000 6.8316 6.8316 6.9718 6.9718 9.6748 9.6748 9.9499 9.9499 9.9789 9.9789 10.5977 10.5980 k = 0.5000 0.5000 0.2121 ( 4084 PWs) bands (ev): -32.9239 -32.9239 -32.9229 -32.9229 -32.9158 -32.9158 -15.0789 -15.0789 -14.4193 -14.4193 -14.3155 -14.3155 -14.0410 -14.0410 -13.9895 -13.9895 -13.9317 -13.9317 -13.9312 -13.9312 -13.7496 -13.7496 -13.7047 -13.7047 -3.3432 -3.3432 -0.6358 -0.6358 3.7172 3.7172 4.0743 4.0743 5.1738 5.1738 6.7962 6.7962 6.8254 6.8254 6.9584 6.9584 9.6723 9.6723 9.9911 9.9911 10.0210 10.0210 10.5907 10.5908 k = 0.5000 0.5000 0.2273 ( 4084 PWs) bands (ev): -32.9239 -32.9239 -32.9229 -32.9229 -32.9164 -32.9164 -15.0937 -15.0937 -14.4070 -14.4070 -14.3160 -14.3160 -14.0399 -14.0399 -13.9894 -13.9894 -13.9365 -13.9365 -13.9273 -13.9273 -13.7439 -13.7439 -13.7037 -13.7037 -3.3434 -3.3434 -0.5915 -0.5915 3.7053 3.7053 4.0656 4.0656 5.0814 5.0814 6.7929 6.7929 6.8197 6.8197 6.9450 6.9450 9.6694 9.6694 10.0322 10.0322 10.0630 10.0630 10.5827 10.5833 k = 0.5000 0.5000 0.2424 ( 4076 PWs) bands (ev): -32.9239 -32.9239 -32.9229 -32.9229 -32.9170 -32.9170 -15.1079 -15.1079 -14.3957 -14.3957 -14.3164 -14.3164 -14.0382 -14.0382 -13.9894 -13.9894 -13.9411 -13.9411 -13.9235 -13.9235 -13.7384 -13.7384 -13.7025 -13.7025 -3.3436 -3.3436 -0.5453 -0.5453 3.6928 3.6928 4.0566 4.0566 4.9873 4.9873 6.7902 6.7902 6.8145 6.8145 6.9315 6.9315 9.6662 9.6662 10.0727 10.0727 10.1044 10.1044 10.5737 10.5737 k = 0.5000 0.5000 0.2576 ( 4072 PWs) bands (ev): -32.9239 -32.9239 -32.9229 -32.9229 -32.9175 -32.9175 -15.1216 -15.1216 -14.3852 -14.3852 -14.3168 -14.3168 -14.0360 -14.0360 -13.9894 -13.9894 -13.9454 -13.9454 -13.9200 -13.9200 -13.7331 -13.7331 -13.7014 -13.7014 -3.3438 -3.3438 -0.4974 -0.4974 3.6799 3.6799 4.0476 4.0476 4.8925 4.8925 6.7879 6.7879 6.8098 6.8098 6.9181 6.9181 9.6628 9.6628 10.1122 10.1122 10.1449 10.1449 10.5639 10.5643 k = 0.5000 0.5000 0.2727 ( 4072 PWs) bands (ev): -32.9239 -32.9239 -32.9229 -32.9229 -32.9181 -32.9181 -15.1348 -15.1348 -14.3756 -14.3756 -14.3173 -14.3173 -14.0333 -14.0333 -13.9894 -13.9894 -13.9495 -13.9495 -13.9166 -13.9166 -13.7281 -13.7281 -13.7003 -13.7003 -3.3439 -3.3439 -0.4483 -0.4483 3.6665 3.6665 4.0386 4.0386 4.7978 4.7978 6.7862 6.7862 6.8058 6.8058 6.9049 6.9049 9.6592 9.6592 10.1501 10.1501 10.1840 10.1840 10.5537 10.5538 k = 0.5000 0.5000 0.2879 ( 4072 PWs) bands (ev): -32.9239 -32.9239 -32.9229 -32.9229 -32.9186 -32.9186 -15.1472 -15.1472 -14.3671 -14.3671 -14.3177 -14.3177 -14.0302 -14.0302 -13.9893 -13.9893 -13.9534 -13.9534 -13.9134 -13.9134 -13.7233 -13.7233 -13.6992 -13.6992 -3.3441 -3.3441 -0.3983 -0.3983 3.6525 3.6525 4.0296 4.0296 4.7040 4.7040 6.7850 6.7850 6.8023 6.8023 6.8920 6.8920 9.6555 9.6555 10.1859 10.1859 10.2214 10.2214 10.5433 10.5433 k = 0.5000 0.5000 0.3030 ( 4064 PWs) bands (ev): -32.9239 -32.9239 -32.9228 -32.9228 -32.9192 -32.9192 -15.1590 -15.1590 -14.3594 -14.3594 -14.3181 -14.3181 -14.0267 -14.0267 -13.9893 -13.9893 -13.9570 -13.9570 -13.9104 -13.9104 -13.7187 -13.7187 -13.6980 -13.6980 -3.3443 -3.3443 -0.3477 -0.3477 3.6381 3.6381 4.0209 4.0209 4.6120 4.6120 6.7843 6.7843 6.7994 6.7994 6.8796 6.8796 9.6517 9.6517 10.2193 10.2193 10.2567 10.2567 10.5330 10.5331 k = 0.5000 0.5000 0.3182 ( 4064 PWs) bands (ev): -32.9239 -32.9239 -32.9228 -32.9228 -32.9197 -32.9197 -15.1700 -15.1700 -14.3526 -14.3526 -14.3185 -14.3185 -14.0230 -14.0230 -13.9893 -13.9893 -13.9604 -13.9604 -13.9076 -13.9076 -13.7145 -13.7145 -13.6969 -13.6969 -3.3445 -3.3445 -0.2971 -0.2971 3.6231 3.6231 4.0123 4.0123 4.5228 4.5228 6.7840 6.7840 6.7971 6.7971 6.8677 6.8677 9.6479 9.6479 10.2495 10.2495 10.2895 10.2895 10.5234 10.5234 k = 0.5000 0.5000 0.3333 ( 4080 PWs) bands (ev): -32.9239 -32.9239 -32.9228 -32.9228 -32.9202 -32.9202 -15.1803 -15.1803 -14.3467 -14.3467 -14.3190 -14.3190 -14.0192 -14.0192 -13.9894 -13.9894 -13.9635 -13.9635 -13.9051 -13.9051 -13.7106 -13.7106 -13.6959 -13.6959 -3.3446 -3.3446 -0.2470 -0.2470 3.6076 3.6076 4.0041 4.0041 4.4373 4.4373 6.7841 6.7841 6.7953 6.7953 6.8563 6.8563 9.6441 9.6441 10.2762 10.2762 10.3196 10.3196 10.5147 10.5147 k = 0.5000 0.5000 0.3485 ( 4080 PWs) bands (ev): -32.9239 -32.9239 -32.9228 -32.9228 -32.9206 -32.9206 -15.1898 -15.1898 -14.3416 -14.3416 -14.3194 -14.3194 -14.0152 -14.0152 -13.9895 -13.9895 -13.9662 -13.9662 -13.9027 -13.9027 -13.7070 -13.7070 -13.6948 -13.6948 -3.3448 -3.3448 -0.1978 -0.1978 3.5915 3.5915 3.9963 3.9963 4.3565 4.3565 6.7845 6.7845 6.7939 6.7939 6.8458 6.8458 9.6404 9.6404 10.2985 10.2985 10.3466 10.3466 10.5073 10.5073 k = 0.5000 0.5000 0.3636 ( 4072 PWs) bands (ev): -32.9239 -32.9239 -32.9228 -32.9228 -32.9210 -32.9210 -15.1983 -15.1983 -14.3372 -14.3372 -14.3197 -14.3197 -14.0112 -14.0112 -13.9895 -13.9895 -13.9687 -13.9687 -13.9006 -13.9006 -13.7036 -13.7036 -13.6938 -13.6938 -3.3449 -3.3449 -0.1503 -0.1503 3.5748 3.5748 3.9890 3.9890 4.2814 4.2814 6.7852 6.7852 6.7929 6.7929 6.8360 6.8360 9.6369 9.6369 10.3161 10.3161 10.3701 10.3701 10.5008 10.5009 k = 0.5000 0.5000 0.3788 ( 4072 PWs) bands (ev): -32.9239 -32.9239 -32.9228 -32.9228 -32.9214 -32.9214 -15.2061 -15.2061 -14.3335 -14.3335 -14.3201 -14.3201 -14.0074 -14.0074 -13.9896 -13.9896 -13.9710 -13.9710 -13.8987 -13.8987 -13.7006 -13.7006 -13.6929 -13.6929 -3.3451 -3.3451 -0.1051 -0.1051 3.5576 3.5576 3.9822 3.9822 4.2129 4.2129 6.7860 6.7860 6.7923 6.7923 6.8270 6.8270 9.6336 9.6336 10.3284 10.3284 10.3896 10.3896 10.4929 10.4929 k = 0.5000 0.5000 0.3939 ( 4072 PWs) bands (ev): -32.9240 -32.9240 -32.9228 -32.9228 -32.9218 -32.9218 -15.2130 -15.2130 -14.3304 -14.3304 -14.3204 -14.3204 -14.0038 -14.0038 -13.9897 -13.9897 -13.9729 -13.9729 -13.8970 -13.8970 -13.6980 -13.6980 -13.6921 -13.6921 -3.3452 -3.3452 -0.0629 -0.0629 3.5400 3.5400 3.9761 3.9761 4.1517 4.1517 6.7869 6.7869 6.7919 6.7919 6.8189 6.8189 9.6305 9.6305 10.3356 10.3356 10.4047 10.4047 10.4809 10.4809 k = 0.5000 0.5000 0.4091 ( 4072 PWs) bands (ev): -32.9240 -32.9240 -32.9228 -32.9228 -32.9220 -32.9220 -15.2190 -15.2190 -14.3278 -14.3278 -14.3206 -14.3206 -14.0005 -14.0005 -13.9898 -13.9898 -13.9745 -13.9745 -13.8955 -13.8955 -13.6956 -13.6956 -13.6914 -13.6914 -3.3453 -3.3453 -0.0243 -0.0243 3.5224 3.5224 3.9706 3.9706 4.0986 4.0986 6.7879 6.7879 6.7917 6.7917 6.8119 6.8119 9.6278 9.6278 10.3385 10.3385 10.4154 10.4154 10.4675 10.4675 k = 0.5000 0.5000 0.4242 ( 4068 PWs) bands (ev): -32.9241 -32.9241 -32.9228 -32.9228 -32.9223 -32.9223 -15.2241 -15.2241 -14.3258 -14.3258 -14.3209 -14.3209 -13.9975 -13.9975 -13.9899 -13.9899 -13.9759 -13.9759 -13.8943 -13.8943 -13.6937 -13.6937 -13.6907 -13.6907 -3.3454 -3.3454 0.0099 0.0099 3.5054 3.5054 3.9659 3.9659 4.0539 4.0539 6.7889 6.7889 6.7917 6.7917 6.8058 6.8058 9.6254 9.6254 10.3383 10.3383 10.4221 10.4221 10.4552 10.4553 k = 0.5000 0.5000 0.4394 ( 4072 PWs) bands (ev): -32.9241 -32.9241 -32.9228 -32.9228 -32.9225 -32.9225 -15.2282 -15.2282 -14.3242 -14.3242 -14.3210 -14.3210 -13.9950 -13.9950 -13.9900 -13.9900 -13.9770 -13.9770 -13.8933 -13.8933 -13.6921 -13.6921 -13.6902 -13.6902 -3.3454 -3.3454 0.0390 0.0390 3.4897 3.4897 3.9620 3.9620 4.0177 4.0177 6.7897 6.7897 6.7917 6.7917 6.8008 6.8008 9.6235 9.6235 10.3362 10.3362 10.4255 10.4255 10.4451 10.4451 k = 0.5000 0.5000 0.4545 ( 4048 PWs) bands (ev): -32.9241 -32.9241 -32.9228 -32.9228 -32.9226 -32.9226 -15.2314 -15.2314 -14.3229 -14.3229 -14.3211 -14.3211 -13.9930 -13.9930 -13.9901 -13.9901 -13.9777 -13.9777 -13.8924 -13.8924 -13.6908 -13.6908 -13.6897 -13.6897 -3.3455 -3.3455 0.0624 0.0624 3.4762 3.4762 3.9590 3.9590 3.9899 3.9899 6.7905 6.7905 6.7918 6.7918 6.7968 6.7968 9.6220 9.6220 10.3336 10.3336 10.4270 10.4270 10.4373 10.4373 k = 0.5000 0.5000 0.4697 ( 4032 PWs) bands (ev): -32.9242 -32.9242 -32.9227 -32.9227 -32.9227 -32.9227 -15.2337 -15.2337 -14.3220 -14.3220 -14.3212 -14.3212 -13.9915 -13.9915 -13.9902 -13.9902 -13.9783 -13.9783 -13.8918 -13.8918 -13.6898 -13.6898 -13.6893 -13.6893 -3.3455 -3.3455 0.0796 0.0796 3.4657 3.4657 3.9568 3.9568 3.9704 3.9704 6.7910 6.7910 6.7919 6.7919 6.7941 6.7941 9.6208 9.6208 10.3311 10.3311 10.4275 10.4275 10.4318 10.4318 k = 0.5000 0.5000 0.4848 ( 4032 PWs) bands (ev): -32.9242 -32.9242 -32.9227 -32.9227 -32.9227 -32.9227 -15.2351 -15.2351 -14.3215 -14.3215 -14.3213 -14.3213 -13.9906 -13.9906 -13.9903 -13.9903 -13.9786 -13.9786 -13.8915 -13.8915 -13.6893 -13.6893 -13.6892 -13.6892 -3.3456 -3.3456 0.0900 0.0900 3.4591 3.4591 3.9554 3.9554 3.9588 3.9588 6.7914 6.7914 6.7917 6.7917 6.7926 6.7926 9.6201 9.6201 10.3294 10.3294 10.4274 10.4274 10.4285 10.4285 k = 0.5000 0.5000 0.5000 ( 4032 PWs) bands (ev): -32.9242 -32.9242 -32.9227 -32.9227 -32.9227 -32.9227 -15.2356 -15.2356 -14.3213 -14.3213 -14.3213 -14.3213 -13.9903 -13.9903 -13.9903 -13.9903 -13.9787 -13.9787 -13.8914 -13.8914 -13.6891 -13.6891 -13.6891 -13.6891 -3.3456 -3.3456 0.0935 0.0935 3.4568 3.4568 3.9550 3.9550 3.9550 3.9550 6.7915 6.7915 6.7915 6.7915 6.7923 6.7923 9.6199 9.6199 10.3288 10.3288 10.4274 10.4274 10.4274 10.4274 Writing output data file Ca3SbN.save init_run : 0.30s CPU 0.64s WALL ( 1 calls) electrons : 259.96s CPU 265.16s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.11s WALL ( 1 calls) potinit : 0.02s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 259.96s CPU 265.15s 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 : 0.06s CPU 0.10s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.05s WALL ( 254 calls) cegterg : 249.76s CPU 253.35s WALL ( 999 calls) Called by sum_band: Called by *egterg: h_psi : 112.07s CPU 114.07s WALL ( 19069 calls) s_psi : 8.02s CPU 8.03s WALL ( 19069 calls) g_psi : 0.33s CPU 0.32s WALL ( 17816 calls) cdiaghg : 112.12s CPU 113.44s WALL ( 18070 calls) cegterg:over : 8.04s CPU 8.05s WALL ( 17816 calls) cegterg:upda : 8.21s CPU 8.43s WALL ( 17816 calls) cegterg:last : 3.29s CPU 3.35s WALL ( 2037 calls) cdiaghg:chol : 6.46s CPU 6.31s WALL ( 18070 calls) cdiaghg:inve : 4.12s CPU 4.16s WALL ( 18070 calls) cdiaghg:para : 6.36s CPU 6.51s WALL ( 36140 calls) Called by h_psi: h_psi:vloc : 94.31s CPU 95.95s WALL ( 19069 calls) h_psi:vnl : 17.50s CPU 17.84s WALL ( 19069 calls) add_vuspsi : 9.01s CPU 9.16s WALL ( 19069 calls) General routines calbec : 8.45s CPU 8.63s WALL ( 19069 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 87.58s CPU 89.41s WALL ( 1131964 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.12s CPU 0.37s WALL ( 508 calls) Parallel routines fft_scatter : 32.14s CPU 33.18s WALL ( 1131987 calls) PWSCF : 4m32.23s CPU 5m 1.93s WALL This run was terminated on: 16:38:39 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=