Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:47:59 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: ./KPdF3.save/ file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized file K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized file Pd.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 5S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 77 33 9 3073 867 137 Max 78 34 10 3076 882 142 Sum 2785 1201 357 110699 31463 5041 bravais-lattice index = 14 lattice parameter (alat) = 8.0181 a.u. unit-cell volume = 515.4845 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 59.0000 Ry charge density cutoff = 545.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.018107 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 F read from file: /users/gautes/Pseudo/F.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: ce20c52fa94def3fe434d52ed9f7ea44 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1105 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for K read from file: /users/gautes/Pseudo/K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3dd1b7807415f540a701f2a402ca1bb0 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1165 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Pd read from file: /users/gautes/Pseudo/Pd.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 7926b04c0aa9b348bf6cb39d90ce6236 Pseudo is Ultrasoft + core correction, Zval = 18.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1235 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential F 7.00 18.99840 F( 1.00) K 9.00 39.09830 K( 1.00) Pd 18.00 106.42000 Pd( 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= 291 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034364 k( 2) = ( 0.0000000 0.0131579 -0.0000000), wk = 0.0034364 k( 3) = ( 0.0000000 0.0263158 -0.0000000), wk = 0.0034364 k( 4) = ( 0.0000000 0.0394737 -0.0000000), wk = 0.0034364 k( 5) = ( 0.0000000 0.0526316 -0.0000000), wk = 0.0034364 k( 6) = ( 0.0000000 0.0657895 -0.0000000), wk = 0.0034364 k( 7) = ( 0.0000000 0.0789474 -0.0000000), wk = 0.0034364 k( 8) = ( 0.0000000 0.0921053 -0.0000000), wk = 0.0034364 k( 9) = ( 0.0000000 0.1052632 -0.0000000), wk = 0.0034364 k( 10) = ( 0.0000000 0.1184210 -0.0000000), wk = 0.0034364 k( 11) = ( 0.0000000 0.1315790 -0.0000000), wk = 0.0034364 k( 12) = ( 0.0000000 0.1447368 -0.0000000), wk = 0.0034364 k( 13) = ( 0.0000000 0.1578947 -0.0000000), wk = 0.0034364 k( 14) = ( 0.0000000 0.1710526 -0.0000000), wk = 0.0034364 k( 15) = ( 0.0000000 0.1842105 -0.0000000), wk = 0.0034364 k( 16) = ( 0.0000000 0.1973684 -0.0000000), wk = 0.0034364 k( 17) = ( 0.0000000 0.2105263 -0.0000000), wk = 0.0034364 k( 18) = ( 0.0000000 0.2236842 -0.0000000), wk = 0.0034364 k( 19) = ( 0.0000000 0.2368421 -0.0000000), wk = 0.0034364 k( 20) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0034364 k( 21) = ( 0.0000000 0.2631579 -0.0000000), wk = 0.0034364 k( 22) = ( 0.0000000 0.2763158 -0.0000000), wk = 0.0034364 k( 23) = ( 0.0000000 0.2894737 -0.0000000), wk = 0.0034364 k( 24) = ( 0.0000000 0.3026316 -0.0000000), wk = 0.0034364 k( 25) = ( 0.0000000 0.3157895 -0.0000000), wk = 0.0034364 k( 26) = ( 0.0000000 0.3289474 -0.0000000), wk = 0.0034364 k( 27) = ( 0.0000000 0.3421053 -0.0000000), wk = 0.0034364 k( 28) = ( 0.0000000 0.3552632 -0.0000000), wk = 0.0034364 k( 29) = ( 0.0000000 0.3684211 -0.0000000), wk = 0.0034364 k( 30) = ( 0.0000000 0.3815789 -0.0000000), wk = 0.0034364 k( 31) = ( 0.0000000 0.3947368 -0.0000000), wk = 0.0034364 k( 32) = ( 0.0000000 0.4078947 -0.0000000), wk = 0.0034364 k( 33) = ( 0.0000000 0.4210526 -0.0000000), wk = 0.0034364 k( 34) = ( 0.0000000 0.4342105 -0.0000000), wk = 0.0034364 k( 35) = ( 0.0000000 0.4473684 -0.0000000), wk = 0.0034364 k( 36) = ( 0.0000000 0.4605263 -0.0000000), wk = 0.0034364 k( 37) = ( 0.0000000 0.4736842 -0.0000000), wk = 0.0034364 k( 38) = ( 0.0000000 0.4868421 -0.0000000), wk = 0.0034364 k( 39) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0034364 k( 40) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0034364 k( 41) = ( 0.0131579 0.5000000 -0.0000000), wk = 0.0034364 k( 42) = ( 0.0263158 0.5000000 -0.0000000), wk = 0.0034364 k( 43) = ( 0.0394737 0.5000000 -0.0000000), wk = 0.0034364 k( 44) = ( 0.0526316 0.5000000 -0.0000000), wk = 0.0034364 k( 45) = ( 0.0657895 0.5000000 -0.0000000), wk = 0.0034364 k( 46) = ( 0.0789474 0.5000000 -0.0000000), wk = 0.0034364 k( 47) = ( 0.0921053 0.5000000 -0.0000000), wk = 0.0034364 k( 48) = ( 0.1052632 0.5000000 -0.0000000), wk = 0.0034364 k( 49) = ( 0.1184210 0.5000000 -0.0000000), wk = 0.0034364 k( 50) = ( 0.1315790 0.5000000 -0.0000000), wk = 0.0034364 k( 51) = ( 0.1447368 0.5000000 -0.0000000), wk = 0.0034364 k( 52) = ( 0.1578947 0.5000000 -0.0000000), wk = 0.0034364 k( 53) = ( 0.1710526 0.5000000 -0.0000000), wk = 0.0034364 k( 54) = ( 0.1842105 0.5000000 -0.0000000), wk = 0.0034364 k( 55) = ( 0.1973684 0.5000000 -0.0000000), wk = 0.0034364 k( 56) = ( 0.2105263 0.5000000 -0.0000000), wk = 0.0034364 k( 57) = ( 0.2236842 0.5000000 -0.0000000), wk = 0.0034364 k( 58) = ( 0.2368421 0.5000000 -0.0000000), wk = 0.0034364 k( 59) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0034364 k( 60) = ( 0.2631579 0.5000000 -0.0000000), wk = 0.0034364 k( 61) = ( 0.2763158 0.5000000 -0.0000000), wk = 0.0034364 k( 62) = ( 0.2894737 0.5000000 -0.0000000), wk = 0.0034364 k( 63) = ( 0.3026316 0.5000000 -0.0000000), wk = 0.0034364 k( 64) = ( 0.3157895 0.5000000 -0.0000000), wk = 0.0034364 k( 65) = ( 0.3289474 0.5000000 -0.0000000), wk = 0.0034364 k( 66) = ( 0.3421053 0.5000000 -0.0000000), wk = 0.0034364 k( 67) = ( 0.3552632 0.5000000 -0.0000000), wk = 0.0034364 k( 68) = ( 0.3684211 0.5000000 -0.0000000), wk = 0.0034364 k( 69) = ( 0.3815789 0.5000000 -0.0000000), wk = 0.0034364 k( 70) = ( 0.3947368 0.5000000 -0.0000000), wk = 0.0034364 k( 71) = ( 0.4078947 0.5000000 -0.0000000), wk = 0.0034364 k( 72) = ( 0.4210526 0.5000000 -0.0000000), wk = 0.0034364 k( 73) = ( 0.4342105 0.5000000 -0.0000000), wk = 0.0034364 k( 74) = ( 0.4473684 0.5000000 -0.0000000), wk = 0.0034364 k( 75) = ( 0.4605263 0.5000000 -0.0000000), wk = 0.0034364 k( 76) = ( 0.4736842 0.5000000 -0.0000000), wk = 0.0034364 k( 77) = ( 0.4868421 0.5000000 -0.0000000), wk = 0.0034364 k( 78) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0034364 k( 79) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0034364 k( 80) = ( 0.4905660 0.4905660 -0.0000000), wk = 0.0034364 k( 81) = ( 0.4811321 0.4811321 -0.0000000), wk = 0.0034364 k( 82) = ( 0.4716981 0.4716981 -0.0000000), wk = 0.0034364 k( 83) = ( 0.4622641 0.4622641 -0.0000000), wk = 0.0034364 k( 84) = ( 0.4528302 0.4528302 -0.0000000), wk = 0.0034364 k( 85) = ( 0.4433962 0.4433962 -0.0000000), wk = 0.0034364 k( 86) = ( 0.4339623 0.4339623 -0.0000000), wk = 0.0034364 k( 87) = ( 0.4245283 0.4245283 -0.0000000), wk = 0.0034364 k( 88) = ( 0.4150943 0.4150943 -0.0000000), wk = 0.0034364 k( 89) = ( 0.4056604 0.4056604 -0.0000000), wk = 0.0034364 k( 90) = ( 0.3962264 0.3962264 -0.0000000), wk = 0.0034364 k( 91) = ( 0.3867925 0.3867924 -0.0000000), wk = 0.0034364 k( 92) = ( 0.3773585 0.3773585 -0.0000000), wk = 0.0034364 k( 93) = ( 0.3679245 0.3679245 -0.0000000), wk = 0.0034364 k( 94) = ( 0.3584906 0.3584906 -0.0000000), wk = 0.0034364 k( 95) = ( 0.3490566 0.3490566 -0.0000000), wk = 0.0034364 k( 96) = ( 0.3396226 0.3396226 -0.0000000), wk = 0.0034364 k( 97) = ( 0.3301887 0.3301887 -0.0000000), wk = 0.0034364 k( 98) = ( 0.3207547 0.3207547 -0.0000000), wk = 0.0034364 k( 99) = ( 0.3113207 0.3113207 -0.0000000), wk = 0.0034364 k( 100) = ( 0.3018868 0.3018868 -0.0000000), wk = 0.0034364 k( 101) = ( 0.2924528 0.2924528 -0.0000000), wk = 0.0034364 k( 102) = ( 0.2830189 0.2830189 -0.0000000), wk = 0.0034364 k( 103) = ( 0.2735849 0.2735849 -0.0000000), wk = 0.0034364 k( 104) = ( 0.2641509 0.2641509 -0.0000000), wk = 0.0034364 k( 105) = ( 0.2547170 0.2547170 -0.0000000), wk = 0.0034364 k( 106) = ( 0.2452830 0.2452830 -0.0000000), wk = 0.0034364 k( 107) = ( 0.2358491 0.2358491 -0.0000000), wk = 0.0034364 k( 108) = ( 0.2264151 0.2264151 -0.0000000), wk = 0.0034364 k( 109) = ( 0.2169811 0.2169811 -0.0000000), wk = 0.0034364 k( 110) = ( 0.2075472 0.2075472 -0.0000000), wk = 0.0034364 k( 111) = ( 0.1981132 0.1981132 -0.0000000), wk = 0.0034364 k( 112) = ( 0.1886792 0.1886792 -0.0000000), wk = 0.0034364 k( 113) = ( 0.1792453 0.1792453 -0.0000000), wk = 0.0034364 k( 114) = ( 0.1698113 0.1698113 -0.0000000), wk = 0.0034364 k( 115) = ( 0.1603774 0.1603774 -0.0000000), wk = 0.0034364 k( 116) = ( 0.1509434 0.1509434 -0.0000000), wk = 0.0034364 k( 117) = ( 0.1415094 0.1415094 -0.0000000), wk = 0.0034364 k( 118) = ( 0.1320755 0.1320755 -0.0000000), wk = 0.0034364 k( 119) = ( 0.1226415 0.1226415 -0.0000000), wk = 0.0034364 k( 120) = ( 0.1132076 0.1132075 -0.0000000), wk = 0.0034364 k( 121) = ( 0.1037736 0.1037736 -0.0000000), wk = 0.0034364 k( 122) = ( 0.0943396 0.0943396 -0.0000000), wk = 0.0034364 k( 123) = ( 0.0849057 0.0849057 -0.0000000), wk = 0.0034364 k( 124) = ( 0.0754717 0.0754717 -0.0000000), wk = 0.0034364 k( 125) = ( 0.0660377 0.0660377 -0.0000000), wk = 0.0034364 k( 126) = ( 0.0566038 0.0566038 -0.0000000), wk = 0.0034364 k( 127) = ( 0.0471698 0.0471698 -0.0000000), wk = 0.0034364 k( 128) = ( 0.0377359 0.0377358 -0.0000000), wk = 0.0034364 k( 129) = ( 0.0283019 0.0283019 -0.0000000), wk = 0.0034364 k( 130) = ( 0.0188679 0.0188679 -0.0000000), wk = 0.0034364 k( 131) = ( 0.0094340 0.0094340 -0.0000000), wk = 0.0034364 k( 132) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034364 k( 133) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034364 k( 134) = ( 0.0076923 0.0076923 0.0076923), wk = 0.0034364 k( 135) = ( 0.0153846 0.0153846 0.0153846), wk = 0.0034364 k( 136) = ( 0.0230769 0.0230769 0.0230769), wk = 0.0034364 k( 137) = ( 0.0307692 0.0307692 0.0307692), wk = 0.0034364 k( 138) = ( 0.0384615 0.0384615 0.0384615), wk = 0.0034364 k( 139) = ( 0.0461539 0.0461538 0.0461538), wk = 0.0034364 k( 140) = ( 0.0538462 0.0538461 0.0538461), wk = 0.0034364 k( 141) = ( 0.0615385 0.0615385 0.0615385), wk = 0.0034364 k( 142) = ( 0.0692308 0.0692308 0.0692308), wk = 0.0034364 k( 143) = ( 0.0769231 0.0769231 0.0769231), wk = 0.0034364 k( 144) = ( 0.0846154 0.0846154 0.0846154), wk = 0.0034364 k( 145) = ( 0.0923077 0.0923077 0.0923077), wk = 0.0034364 k( 146) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0034364 k( 147) = ( 0.1076923 0.1076923 0.1076923), wk = 0.0034364 k( 148) = ( 0.1153846 0.1153846 0.1153846), wk = 0.0034364 k( 149) = ( 0.1230769 0.1230769 0.1230769), wk = 0.0034364 k( 150) = ( 0.1307692 0.1307692 0.1307692), wk = 0.0034364 k( 151) = ( 0.1384615 0.1384615 0.1384615), wk = 0.0034364 k( 152) = ( 0.1461539 0.1461538 0.1461538), wk = 0.0034364 k( 153) = ( 0.1538461 0.1538461 0.1538461), wk = 0.0034364 k( 154) = ( 0.1615385 0.1615385 0.1615385), wk = 0.0034364 k( 155) = ( 0.1692308 0.1692308 0.1692308), wk = 0.0034364 k( 156) = ( 0.1769231 0.1769231 0.1769231), wk = 0.0034364 k( 157) = ( 0.1846154 0.1846154 0.1846154), wk = 0.0034364 k( 158) = ( 0.1923077 0.1923077 0.1923077), wk = 0.0034364 k( 159) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0034364 k( 160) = ( 0.2076923 0.2076923 0.2076923), wk = 0.0034364 k( 161) = ( 0.2153846 0.2153846 0.2153846), wk = 0.0034364 k( 162) = ( 0.2230769 0.2230769 0.2230769), wk = 0.0034364 k( 163) = ( 0.2307692 0.2307692 0.2307692), wk = 0.0034364 k( 164) = ( 0.2384615 0.2384615 0.2384615), wk = 0.0034364 k( 165) = ( 0.2461539 0.2461538 0.2461538), wk = 0.0034364 k( 166) = ( 0.2538461 0.2538461 0.2538461), wk = 0.0034364 k( 167) = ( 0.2615385 0.2615385 0.2615385), wk = 0.0034364 k( 168) = ( 0.2692308 0.2692308 0.2692308), wk = 0.0034364 k( 169) = ( 0.2769231 0.2769231 0.2769231), wk = 0.0034364 k( 170) = ( 0.2846154 0.2846154 0.2846154), wk = 0.0034364 k( 171) = ( 0.2923077 0.2923077 0.2923077), wk = 0.0034364 k( 172) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0034364 k( 173) = ( 0.3076923 0.3076923 0.3076923), wk = 0.0034364 k( 174) = ( 0.3153846 0.3153846 0.3153846), wk = 0.0034364 k( 175) = ( 0.3230769 0.3230769 0.3230769), wk = 0.0034364 k( 176) = ( 0.3307692 0.3307692 0.3307692), wk = 0.0034364 k( 177) = ( 0.3384615 0.3384615 0.3384615), wk = 0.0034364 k( 178) = ( 0.3461538 0.3461538 0.3461538), wk = 0.0034364 k( 179) = ( 0.3538462 0.3538461 0.3538461), wk = 0.0034364 k( 180) = ( 0.3615385 0.3615385 0.3615385), wk = 0.0034364 k( 181) = ( 0.3692308 0.3692308 0.3692308), wk = 0.0034364 k( 182) = ( 0.3769231 0.3769231 0.3769231), wk = 0.0034364 k( 183) = ( 0.3846154 0.3846154 0.3846154), wk = 0.0034364 k( 184) = ( 0.3923077 0.3923077 0.3923077), wk = 0.0034364 k( 185) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0034364 k( 186) = ( 0.4076923 0.4076923 0.4076923), wk = 0.0034364 k( 187) = ( 0.4153846 0.4153846 0.4153846), wk = 0.0034364 k( 188) = ( 0.4230769 0.4230769 0.4230769), wk = 0.0034364 k( 189) = ( 0.4307692 0.4307692 0.4307692), wk = 0.0034364 k( 190) = ( 0.4384615 0.4384615 0.4384615), wk = 0.0034364 k( 191) = ( 0.4461539 0.4461538 0.4461538), wk = 0.0034364 k( 192) = ( 0.4538462 0.4538461 0.4538461), wk = 0.0034364 k( 193) = ( 0.4615385 0.4615385 0.4615385), wk = 0.0034364 k( 194) = ( 0.4692308 0.4692308 0.4692308), wk = 0.0034364 k( 195) = ( 0.4769231 0.4769231 0.4769231), wk = 0.0034364 k( 196) = ( 0.4846154 0.4846154 0.4846154), wk = 0.0034364 k( 197) = ( 0.4923077 0.4923077 0.4923077), wk = 0.0034364 k( 198) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034364 k( 199) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034364 k( 200) = ( 0.4905660 0.5000000 0.4905660), wk = 0.0034364 k( 201) = ( 0.4811321 0.5000000 0.4811321), wk = 0.0034364 k( 202) = ( 0.4716981 0.5000000 0.4716981), wk = 0.0034364 k( 203) = ( 0.4622641 0.5000000 0.4622641), wk = 0.0034364 k( 204) = ( 0.4528302 0.5000000 0.4528302), wk = 0.0034364 k( 205) = ( 0.4433962 0.5000000 0.4433962), wk = 0.0034364 k( 206) = ( 0.4339623 0.5000000 0.4339623), wk = 0.0034364 k( 207) = ( 0.4245283 0.5000000 0.4245283), wk = 0.0034364 k( 208) = ( 0.4150943 0.5000000 0.4150943), wk = 0.0034364 k( 209) = ( 0.4056604 0.5000000 0.4056604), wk = 0.0034364 k( 210) = ( 0.3962264 0.5000000 0.3962264), wk = 0.0034364 k( 211) = ( 0.3867925 0.5000000 0.3867924), wk = 0.0034364 k( 212) = ( 0.3773585 0.5000000 0.3773585), wk = 0.0034364 k( 213) = ( 0.3679245 0.5000000 0.3679245), wk = 0.0034364 k( 214) = ( 0.3584906 0.5000000 0.3584906), wk = 0.0034364 k( 215) = ( 0.3490566 0.5000000 0.3490566), wk = 0.0034364 k( 216) = ( 0.3396226 0.5000000 0.3396226), wk = 0.0034364 k( 217) = ( 0.3301887 0.5000000 0.3301887), wk = 0.0034364 k( 218) = ( 0.3207547 0.5000000 0.3207547), wk = 0.0034364 k( 219) = ( 0.3113207 0.5000000 0.3113207), wk = 0.0034364 k( 220) = ( 0.3018868 0.5000000 0.3018868), wk = 0.0034364 k( 221) = ( 0.2924528 0.5000000 0.2924528), wk = 0.0034364 k( 222) = ( 0.2830189 0.5000000 0.2830189), wk = 0.0034364 k( 223) = ( 0.2735849 0.5000000 0.2735849), wk = 0.0034364 k( 224) = ( 0.2641509 0.5000000 0.2641509), wk = 0.0034364 k( 225) = ( 0.2547170 0.5000000 0.2547170), wk = 0.0034364 k( 226) = ( 0.2452830 0.5000000 0.2452830), wk = 0.0034364 k( 227) = ( 0.2358491 0.5000000 0.2358491), wk = 0.0034364 k( 228) = ( 0.2264151 0.5000000 0.2264151), wk = 0.0034364 k( 229) = ( 0.2169811 0.5000000 0.2169811), wk = 0.0034364 k( 230) = ( 0.2075472 0.5000000 0.2075472), wk = 0.0034364 k( 231) = ( 0.1981132 0.5000000 0.1981132), wk = 0.0034364 k( 232) = ( 0.1886792 0.5000000 0.1886792), wk = 0.0034364 k( 233) = ( 0.1792453 0.5000000 0.1792453), wk = 0.0034364 k( 234) = ( 0.1698113 0.5000000 0.1698113), wk = 0.0034364 k( 235) = ( 0.1603774 0.5000000 0.1603774), wk = 0.0034364 k( 236) = ( 0.1509434 0.5000000 0.1509434), wk = 0.0034364 k( 237) = ( 0.1415094 0.5000000 0.1415094), wk = 0.0034364 k( 238) = ( 0.1320755 0.5000000 0.1320755), wk = 0.0034364 k( 239) = ( 0.1226415 0.5000000 0.1226415), wk = 0.0034364 k( 240) = ( 0.1132076 0.5000000 0.1132075), wk = 0.0034364 k( 241) = ( 0.1037736 0.5000000 0.1037736), wk = 0.0034364 k( 242) = ( 0.0943396 0.5000000 0.0943396), wk = 0.0034364 k( 243) = ( 0.0849057 0.5000000 0.0849057), wk = 0.0034364 k( 244) = ( 0.0754717 0.5000000 0.0754717), wk = 0.0034364 k( 245) = ( 0.0660377 0.5000000 0.0660377), wk = 0.0034364 k( 246) = ( 0.0566038 0.5000000 0.0566038), wk = 0.0034364 k( 247) = ( 0.0471698 0.5000000 0.0471698), wk = 0.0034364 k( 248) = ( 0.0377359 0.5000000 0.0377358), wk = 0.0034364 k( 249) = ( 0.0283019 0.5000000 0.0283019), wk = 0.0034364 k( 250) = ( 0.0188679 0.5000000 0.0188679), wk = 0.0034364 k( 251) = ( 0.0094340 0.5000000 0.0094340), wk = 0.0034364 k( 252) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0034364 k( 253) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0034364 k( 254) = ( 0.5000000 0.5000000 0.0131579), wk = 0.0034364 k( 255) = ( 0.5000000 0.5000000 0.0263158), wk = 0.0034364 k( 256) = ( 0.5000000 0.5000000 0.0394737), wk = 0.0034364 k( 257) = ( 0.5000000 0.5000000 0.0526316), wk = 0.0034364 k( 258) = ( 0.5000000 0.5000000 0.0657895), wk = 0.0034364 k( 259) = ( 0.5000000 0.5000000 0.0789474), wk = 0.0034364 k( 260) = ( 0.5000000 0.5000000 0.0921053), wk = 0.0034364 k( 261) = ( 0.5000000 0.5000000 0.1052632), wk = 0.0034364 k( 262) = ( 0.5000000 0.5000000 0.1184210), wk = 0.0034364 k( 263) = ( 0.5000000 0.5000000 0.1315789), wk = 0.0034364 k( 264) = ( 0.5000000 0.5000000 0.1447368), wk = 0.0034364 k( 265) = ( 0.5000000 0.5000000 0.1578947), wk = 0.0034364 k( 266) = ( 0.5000000 0.5000000 0.1710526), wk = 0.0034364 k( 267) = ( 0.5000000 0.5000000 0.1842105), wk = 0.0034364 k( 268) = ( 0.5000000 0.5000000 0.1973684), wk = 0.0034364 k( 269) = ( 0.5000000 0.5000000 0.2105263), wk = 0.0034364 k( 270) = ( 0.5000000 0.5000000 0.2236842), wk = 0.0034364 k( 271) = ( 0.5000000 0.5000000 0.2368421), wk = 0.0034364 k( 272) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0034364 k( 273) = ( 0.5000000 0.5000000 0.2631579), wk = 0.0034364 k( 274) = ( 0.5000000 0.5000000 0.2763158), wk = 0.0034364 k( 275) = ( 0.5000000 0.5000000 0.2894737), wk = 0.0034364 k( 276) = ( 0.5000000 0.5000000 0.3026316), wk = 0.0034364 k( 277) = ( 0.5000000 0.5000000 0.3157895), wk = 0.0034364 k( 278) = ( 0.5000000 0.5000000 0.3289474), wk = 0.0034364 k( 279) = ( 0.5000000 0.5000000 0.3421053), wk = 0.0034364 k( 280) = ( 0.5000000 0.5000000 0.3552632), wk = 0.0034364 k( 281) = ( 0.5000000 0.5000000 0.3684210), wk = 0.0034364 k( 282) = ( 0.5000000 0.5000000 0.3815789), wk = 0.0034364 k( 283) = ( 0.5000000 0.5000000 0.3947368), wk = 0.0034364 k( 284) = ( 0.5000000 0.5000000 0.4078947), wk = 0.0034364 k( 285) = ( 0.5000000 0.5000000 0.4210526), wk = 0.0034364 k( 286) = ( 0.5000000 0.5000000 0.4342105), wk = 0.0034364 k( 287) = ( 0.5000000 0.5000000 0.4473684), wk = 0.0034364 k( 288) = ( 0.5000000 0.5000000 0.4605263), wk = 0.0034364 k( 289) = ( 0.5000000 0.5000000 0.4736842), wk = 0.0034364 k( 290) = ( 0.5000000 0.5000000 0.4868421), wk = 0.0034364 k( 291) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034364 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034364 k( 2) = ( 0.0000000 0.0131579 0.0000000), wk = 0.0034364 k( 3) = ( 0.0000000 0.0263158 0.0000000), wk = 0.0034364 k( 4) = ( 0.0000000 0.0394737 0.0000000), wk = 0.0034364 k( 5) = ( 0.0000000 0.0526316 0.0000000), wk = 0.0034364 k( 6) = ( 0.0000000 0.0657895 0.0000000), wk = 0.0034364 k( 7) = ( 0.0000000 0.0789474 0.0000000), wk = 0.0034364 k( 8) = ( 0.0000000 0.0921053 0.0000000), wk = 0.0034364 k( 9) = ( 0.0000000 0.1052632 0.0000000), wk = 0.0034364 k( 10) = ( 0.0000000 0.1184210 0.0000000), wk = 0.0034364 k( 11) = ( 0.0000000 0.1315790 0.0000000), wk = 0.0034364 k( 12) = ( 0.0000000 0.1447368 0.0000000), wk = 0.0034364 k( 13) = ( 0.0000000 0.1578947 0.0000000), wk = 0.0034364 k( 14) = ( 0.0000000 0.1710526 0.0000000), wk = 0.0034364 k( 15) = ( 0.0000000 0.1842105 0.0000000), wk = 0.0034364 k( 16) = ( 0.0000000 0.1973684 0.0000000), wk = 0.0034364 k( 17) = ( 0.0000000 0.2105263 0.0000000), wk = 0.0034364 k( 18) = ( 0.0000000 0.2236842 0.0000000), wk = 0.0034364 k( 19) = ( 0.0000000 0.2368421 0.0000000), wk = 0.0034364 k( 20) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0034364 k( 21) = ( 0.0000000 0.2631579 0.0000000), wk = 0.0034364 k( 22) = ( 0.0000000 0.2763158 0.0000000), wk = 0.0034364 k( 23) = ( 0.0000000 0.2894737 0.0000000), wk = 0.0034364 k( 24) = ( 0.0000000 0.3026316 0.0000000), wk = 0.0034364 k( 25) = ( 0.0000000 0.3157895 0.0000000), wk = 0.0034364 k( 26) = ( 0.0000000 0.3289474 0.0000000), wk = 0.0034364 k( 27) = ( 0.0000000 0.3421053 0.0000000), wk = 0.0034364 k( 28) = ( 0.0000000 0.3552632 0.0000000), wk = 0.0034364 k( 29) = ( 0.0000000 0.3684211 0.0000000), wk = 0.0034364 k( 30) = ( 0.0000000 0.3815789 0.0000000), wk = 0.0034364 k( 31) = ( 0.0000000 0.3947368 0.0000000), wk = 0.0034364 k( 32) = ( 0.0000000 0.4078947 0.0000000), wk = 0.0034364 k( 33) = ( 0.0000000 0.4210526 0.0000000), wk = 0.0034364 k( 34) = ( 0.0000000 0.4342105 0.0000000), wk = 0.0034364 k( 35) = ( 0.0000000 0.4473684 0.0000000), wk = 0.0034364 k( 36) = ( 0.0000000 0.4605263 0.0000000), wk = 0.0034364 k( 37) = ( 0.0000000 0.4736842 0.0000000), wk = 0.0034364 k( 38) = ( 0.0000000 0.4868421 0.0000000), wk = 0.0034364 k( 39) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0034364 k( 40) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0034364 k( 41) = ( 0.0131579 0.5000000 0.0000000), wk = 0.0034364 k( 42) = ( 0.0263158 0.5000000 0.0000000), wk = 0.0034364 k( 43) = ( 0.0394737 0.5000000 0.0000000), wk = 0.0034364 k( 44) = ( 0.0526316 0.5000000 0.0000000), wk = 0.0034364 k( 45) = ( 0.0657895 0.5000000 0.0000000), wk = 0.0034364 k( 46) = ( 0.0789474 0.5000000 0.0000000), wk = 0.0034364 k( 47) = ( 0.0921053 0.5000000 0.0000000), wk = 0.0034364 k( 48) = ( 0.1052632 0.5000000 0.0000000), wk = 0.0034364 k( 49) = ( 0.1184210 0.5000000 0.0000000), wk = 0.0034364 k( 50) = ( 0.1315790 0.5000000 0.0000000), wk = 0.0034364 k( 51) = ( 0.1447368 0.5000000 0.0000000), wk = 0.0034364 k( 52) = ( 0.1578947 0.5000000 0.0000000), wk = 0.0034364 k( 53) = ( 0.1710526 0.5000000 0.0000000), wk = 0.0034364 k( 54) = ( 0.1842105 0.5000000 0.0000000), wk = 0.0034364 k( 55) = ( 0.1973684 0.5000000 0.0000000), wk = 0.0034364 k( 56) = ( 0.2105263 0.5000000 0.0000000), wk = 0.0034364 k( 57) = ( 0.2236842 0.5000000 0.0000000), wk = 0.0034364 k( 58) = ( 0.2368421 0.5000000 0.0000000), wk = 0.0034364 k( 59) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0034364 k( 60) = ( 0.2631579 0.5000000 0.0000000), wk = 0.0034364 k( 61) = ( 0.2763158 0.5000000 0.0000000), wk = 0.0034364 k( 62) = ( 0.2894737 0.5000000 0.0000000), wk = 0.0034364 k( 63) = ( 0.3026316 0.5000000 0.0000000), wk = 0.0034364 k( 64) = ( 0.3157895 0.5000000 0.0000000), wk = 0.0034364 k( 65) = ( 0.3289474 0.5000000 0.0000000), wk = 0.0034364 k( 66) = ( 0.3421053 0.5000000 0.0000000), wk = 0.0034364 k( 67) = ( 0.3552632 0.5000000 0.0000000), wk = 0.0034364 k( 68) = ( 0.3684211 0.5000000 0.0000000), wk = 0.0034364 k( 69) = ( 0.3815789 0.5000000 0.0000000), wk = 0.0034364 k( 70) = ( 0.3947368 0.5000000 0.0000000), wk = 0.0034364 k( 71) = ( 0.4078947 0.5000000 0.0000000), wk = 0.0034364 k( 72) = ( 0.4210526 0.5000000 0.0000000), wk = 0.0034364 k( 73) = ( 0.4342105 0.5000000 -0.0000000), wk = 0.0034364 k( 74) = ( 0.4473684 0.5000000 0.0000000), wk = 0.0034364 k( 75) = ( 0.4605263 0.5000000 0.0000000), wk = 0.0034364 k( 76) = ( 0.4736842 0.5000000 0.0000000), wk = 0.0034364 k( 77) = ( 0.4868421 0.5000000 0.0000000), wk = 0.0034364 k( 78) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0034364 k( 79) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0034364 k( 80) = ( 0.4905660 0.4905660 0.0000000), wk = 0.0034364 k( 81) = ( 0.4811321 0.4811321 0.0000000), wk = 0.0034364 k( 82) = ( 0.4716981 0.4716981 0.0000000), wk = 0.0034364 k( 83) = ( 0.4622641 0.4622641 0.0000000), wk = 0.0034364 k( 84) = ( 0.4528302 0.4528302 0.0000000), wk = 0.0034364 k( 85) = ( 0.4433962 0.4433962 0.0000000), wk = 0.0034364 k( 86) = ( 0.4339623 0.4339623 0.0000000), wk = 0.0034364 k( 87) = ( 0.4245283 0.4245283 0.0000000), wk = 0.0034364 k( 88) = ( 0.4150943 0.4150943 0.0000000), wk = 0.0034364 k( 89) = ( 0.4056604 0.4056604 0.0000000), wk = 0.0034364 k( 90) = ( 0.3962264 0.3962264 0.0000000), wk = 0.0034364 k( 91) = ( 0.3867925 0.3867925 0.0000000), wk = 0.0034364 k( 92) = ( 0.3773585 0.3773585 0.0000000), wk = 0.0034364 k( 93) = ( 0.3679245 0.3679245 0.0000000), wk = 0.0034364 k( 94) = ( 0.3584906 0.3584906 0.0000000), wk = 0.0034364 k( 95) = ( 0.3490566 0.3490566 0.0000000), wk = 0.0034364 k( 96) = ( 0.3396226 0.3396226 0.0000000), wk = 0.0034364 k( 97) = ( 0.3301887 0.3301887 0.0000000), wk = 0.0034364 k( 98) = ( 0.3207547 0.3207547 0.0000000), wk = 0.0034364 k( 99) = ( 0.3113207 0.3113207 0.0000000), wk = 0.0034364 k( 100) = ( 0.3018868 0.3018868 0.0000000), wk = 0.0034364 k( 101) = ( 0.2924528 0.2924528 0.0000000), wk = 0.0034364 k( 102) = ( 0.2830189 0.2830189 0.0000000), wk = 0.0034364 k( 103) = ( 0.2735849 0.2735849 0.0000000), wk = 0.0034364 k( 104) = ( 0.2641509 0.2641509 0.0000000), wk = 0.0034364 k( 105) = ( 0.2547170 0.2547170 0.0000000), wk = 0.0034364 k( 106) = ( 0.2452830 0.2452830 0.0000000), wk = 0.0034364 k( 107) = ( 0.2358491 0.2358491 0.0000000), wk = 0.0034364 k( 108) = ( 0.2264151 0.2264151 0.0000000), wk = 0.0034364 k( 109) = ( 0.2169811 0.2169811 0.0000000), wk = 0.0034364 k( 110) = ( 0.2075472 0.2075472 0.0000000), wk = 0.0034364 k( 111) = ( 0.1981132 0.1981132 0.0000000), wk = 0.0034364 k( 112) = ( 0.1886792 0.1886792 0.0000000), wk = 0.0034364 k( 113) = ( 0.1792453 0.1792453 0.0000000), wk = 0.0034364 k( 114) = ( 0.1698113 0.1698113 0.0000000), wk = 0.0034364 k( 115) = ( 0.1603774 0.1603774 0.0000000), wk = 0.0034364 k( 116) = ( 0.1509434 0.1509434 0.0000000), wk = 0.0034364 k( 117) = ( 0.1415094 0.1415094 0.0000000), wk = 0.0034364 k( 118) = ( 0.1320755 0.1320755 0.0000000), wk = 0.0034364 k( 119) = ( 0.1226415 0.1226415 0.0000000), wk = 0.0034364 k( 120) = ( 0.1132076 0.1132076 0.0000000), wk = 0.0034364 k( 121) = ( 0.1037736 0.1037736 0.0000000), wk = 0.0034364 k( 122) = ( 0.0943396 0.0943396 0.0000000), wk = 0.0034364 k( 123) = ( 0.0849057 0.0849057 0.0000000), wk = 0.0034364 k( 124) = ( 0.0754717 0.0754717 0.0000000), wk = 0.0034364 k( 125) = ( 0.0660377 0.0660377 0.0000000), wk = 0.0034364 k( 126) = ( 0.0566038 0.0566038 0.0000000), wk = 0.0034364 k( 127) = ( 0.0471698 0.0471698 0.0000000), wk = 0.0034364 k( 128) = ( 0.0377359 0.0377359 0.0000000), wk = 0.0034364 k( 129) = ( 0.0283019 0.0283019 0.0000000), wk = 0.0034364 k( 130) = ( 0.0188679 0.0188679 0.0000000), wk = 0.0034364 k( 131) = ( 0.0094340 0.0094340 0.0000000), wk = 0.0034364 k( 132) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034364 k( 133) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034364 k( 134) = ( 0.0076923 0.0076923 0.0076923), wk = 0.0034364 k( 135) = ( 0.0153846 0.0153846 0.0153846), wk = 0.0034364 k( 136) = ( 0.0230769 0.0230769 0.0230769), wk = 0.0034364 k( 137) = ( 0.0307692 0.0307692 0.0307692), wk = 0.0034364 k( 138) = ( 0.0384615 0.0384615 0.0384615), wk = 0.0034364 k( 139) = ( 0.0461539 0.0461539 0.0461539), wk = 0.0034364 k( 140) = ( 0.0538462 0.0538462 0.0538462), wk = 0.0034364 k( 141) = ( 0.0615385 0.0615385 0.0615385), wk = 0.0034364 k( 142) = ( 0.0692308 0.0692308 0.0692308), wk = 0.0034364 k( 143) = ( 0.0769231 0.0769231 0.0769231), wk = 0.0034364 k( 144) = ( 0.0846154 0.0846154 0.0846154), wk = 0.0034364 k( 145) = ( 0.0923077 0.0923077 0.0923077), wk = 0.0034364 k( 146) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0034364 k( 147) = ( 0.1076923 0.1076923 0.1076923), wk = 0.0034364 k( 148) = ( 0.1153846 0.1153846 0.1153846), wk = 0.0034364 k( 149) = ( 0.1230769 0.1230769 0.1230769), wk = 0.0034364 k( 150) = ( 0.1307692 0.1307692 0.1307692), wk = 0.0034364 k( 151) = ( 0.1384615 0.1384615 0.1384615), wk = 0.0034364 k( 152) = ( 0.1461539 0.1461539 0.1461539), wk = 0.0034364 k( 153) = ( 0.1538461 0.1538461 0.1538461), wk = 0.0034364 k( 154) = ( 0.1615385 0.1615385 0.1615385), wk = 0.0034364 k( 155) = ( 0.1692308 0.1692308 0.1692308), wk = 0.0034364 k( 156) = ( 0.1769231 0.1769231 0.1769231), wk = 0.0034364 k( 157) = ( 0.1846154 0.1846154 0.1846154), wk = 0.0034364 k( 158) = ( 0.1923077 0.1923077 0.1923077), wk = 0.0034364 k( 159) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0034364 k( 160) = ( 0.2076923 0.2076923 0.2076923), wk = 0.0034364 k( 161) = ( 0.2153846 0.2153846 0.2153846), wk = 0.0034364 k( 162) = ( 0.2230769 0.2230769 0.2230769), wk = 0.0034364 k( 163) = ( 0.2307692 0.2307692 0.2307692), wk = 0.0034364 k( 164) = ( 0.2384615 0.2384615 0.2384615), wk = 0.0034364 k( 165) = ( 0.2461539 0.2461539 0.2461539), wk = 0.0034364 k( 166) = ( 0.2538461 0.2538461 0.2538461), wk = 0.0034364 k( 167) = ( 0.2615385 0.2615385 0.2615385), wk = 0.0034364 k( 168) = ( 0.2692308 0.2692308 0.2692308), wk = 0.0034364 k( 169) = ( 0.2769231 0.2769231 0.2769231), wk = 0.0034364 k( 170) = ( 0.2846154 0.2846154 0.2846154), wk = 0.0034364 k( 171) = ( 0.2923077 0.2923077 0.2923077), wk = 0.0034364 k( 172) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0034364 k( 173) = ( 0.3076923 0.3076923 0.3076923), wk = 0.0034364 k( 174) = ( 0.3153846 0.3153846 0.3153846), wk = 0.0034364 k( 175) = ( 0.3230769 0.3230769 0.3230769), wk = 0.0034364 k( 176) = ( 0.3307692 0.3307692 0.3307692), wk = 0.0034364 k( 177) = ( 0.3384615 0.3384615 0.3384615), wk = 0.0034364 k( 178) = ( 0.3461538 0.3461538 0.3461538), wk = 0.0034364 k( 179) = ( 0.3538462 0.3538462 0.3538462), wk = 0.0034364 k( 180) = ( 0.3615385 0.3615385 0.3615385), wk = 0.0034364 k( 181) = ( 0.3692308 0.3692308 0.3692308), wk = 0.0034364 k( 182) = ( 0.3769231 0.3769231 0.3769231), wk = 0.0034364 k( 183) = ( 0.3846154 0.3846154 0.3846154), wk = 0.0034364 k( 184) = ( 0.3923077 0.3923077 0.3923077), wk = 0.0034364 k( 185) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0034364 k( 186) = ( 0.4076923 0.4076923 0.4076923), wk = 0.0034364 k( 187) = ( 0.4153846 0.4153846 0.4153846), wk = 0.0034364 k( 188) = ( 0.4230769 0.4230769 0.4230769), wk = 0.0034364 k( 189) = ( 0.4307692 0.4307692 0.4307692), wk = 0.0034364 k( 190) = ( 0.4384615 0.4384615 0.4384615), wk = 0.0034364 k( 191) = ( 0.4461539 0.4461539 0.4461539), wk = 0.0034364 k( 192) = ( 0.4538462 0.4538462 0.4538462), wk = 0.0034364 k( 193) = ( 0.4615385 0.4615385 0.4615385), wk = 0.0034364 k( 194) = ( 0.4692308 0.4692308 0.4692308), wk = 0.0034364 k( 195) = ( 0.4769231 0.4769231 0.4769231), wk = 0.0034364 k( 196) = ( 0.4846154 0.4846154 0.4846154), wk = 0.0034364 k( 197) = ( 0.4923077 0.4923077 0.4923077), wk = 0.0034364 k( 198) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034364 k( 199) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034364 k( 200) = ( 0.4905660 0.5000000 0.4905660), wk = 0.0034364 k( 201) = ( 0.4811321 0.5000000 0.4811321), wk = 0.0034364 k( 202) = ( 0.4716981 0.5000000 0.4716981), wk = 0.0034364 k( 203) = ( 0.4622641 0.5000000 0.4622641), wk = 0.0034364 k( 204) = ( 0.4528302 0.5000000 0.4528302), wk = 0.0034364 k( 205) = ( 0.4433962 0.5000000 0.4433962), wk = 0.0034364 k( 206) = ( 0.4339623 0.5000000 0.4339623), wk = 0.0034364 k( 207) = ( 0.4245283 0.5000000 0.4245283), wk = 0.0034364 k( 208) = ( 0.4150943 0.5000000 0.4150943), wk = 0.0034364 k( 209) = ( 0.4056604 0.5000000 0.4056604), wk = 0.0034364 k( 210) = ( 0.3962264 0.5000000 0.3962264), wk = 0.0034364 k( 211) = ( 0.3867925 0.5000000 0.3867925), wk = 0.0034364 k( 212) = ( 0.3773585 0.5000000 0.3773585), wk = 0.0034364 k( 213) = ( 0.3679245 0.5000000 0.3679245), wk = 0.0034364 k( 214) = ( 0.3584906 0.5000000 0.3584906), wk = 0.0034364 k( 215) = ( 0.3490566 0.5000000 0.3490566), wk = 0.0034364 k( 216) = ( 0.3396226 0.5000000 0.3396226), wk = 0.0034364 k( 217) = ( 0.3301887 0.5000000 0.3301887), wk = 0.0034364 k( 218) = ( 0.3207547 0.5000000 0.3207547), wk = 0.0034364 k( 219) = ( 0.3113207 0.5000000 0.3113207), wk = 0.0034364 k( 220) = ( 0.3018868 0.5000000 0.3018868), wk = 0.0034364 k( 221) = ( 0.2924528 0.5000000 0.2924528), wk = 0.0034364 k( 222) = ( 0.2830189 0.5000000 0.2830189), wk = 0.0034364 k( 223) = ( 0.2735849 0.5000000 0.2735849), wk = 0.0034364 k( 224) = ( 0.2641509 0.5000000 0.2641509), wk = 0.0034364 k( 225) = ( 0.2547170 0.5000000 0.2547170), wk = 0.0034364 k( 226) = ( 0.2452830 0.5000000 0.2452830), wk = 0.0034364 k( 227) = ( 0.2358491 0.5000000 0.2358491), wk = 0.0034364 k( 228) = ( 0.2264151 0.5000000 0.2264151), wk = 0.0034364 k( 229) = ( 0.2169811 0.5000000 0.2169811), wk = 0.0034364 k( 230) = ( 0.2075472 0.5000000 0.2075472), wk = 0.0034364 k( 231) = ( 0.1981132 0.5000000 0.1981132), wk = 0.0034364 k( 232) = ( 0.1886792 0.5000000 0.1886792), wk = 0.0034364 k( 233) = ( 0.1792453 0.5000000 0.1792453), wk = 0.0034364 k( 234) = ( 0.1698113 0.5000000 0.1698113), wk = 0.0034364 k( 235) = ( 0.1603774 0.5000000 0.1603774), wk = 0.0034364 k( 236) = ( 0.1509434 0.5000000 0.1509434), wk = 0.0034364 k( 237) = ( 0.1415094 0.5000000 0.1415094), wk = 0.0034364 k( 238) = ( 0.1320755 0.5000000 0.1320755), wk = 0.0034364 k( 239) = ( 0.1226415 0.5000000 0.1226415), wk = 0.0034364 k( 240) = ( 0.1132076 0.5000000 0.1132076), wk = 0.0034364 k( 241) = ( 0.1037736 0.5000000 0.1037736), wk = 0.0034364 k( 242) = ( 0.0943396 0.5000000 0.0943396), wk = 0.0034364 k( 243) = ( 0.0849057 0.5000000 0.0849057), wk = 0.0034364 k( 244) = ( 0.0754717 0.5000000 0.0754717), wk = 0.0034364 k( 245) = ( 0.0660377 0.5000000 0.0660377), wk = 0.0034364 k( 246) = ( 0.0566038 0.5000000 0.0566038), wk = 0.0034364 k( 247) = ( 0.0471698 0.5000000 0.0471698), wk = 0.0034364 k( 248) = ( 0.0377359 0.5000000 0.0377359), wk = 0.0034364 k( 249) = ( 0.0283019 0.5000000 0.0283019), wk = 0.0034364 k( 250) = ( 0.0188679 0.5000000 0.0188679), wk = 0.0034364 k( 251) = ( 0.0094340 0.5000000 0.0094340), wk = 0.0034364 k( 252) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0034364 k( 253) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0034364 k( 254) = ( 0.5000000 0.5000000 0.0131579), wk = 0.0034364 k( 255) = ( 0.5000000 0.5000000 0.0263158), wk = 0.0034364 k( 256) = ( 0.5000000 0.5000000 0.0394737), wk = 0.0034364 k( 257) = ( 0.5000000 0.5000000 0.0526316), wk = 0.0034364 k( 258) = ( 0.5000000 0.5000000 0.0657895), wk = 0.0034364 k( 259) = ( 0.5000000 0.5000000 0.0789474), wk = 0.0034364 k( 260) = ( 0.5000000 0.5000000 0.0921053), wk = 0.0034364 k( 261) = ( 0.5000000 0.5000000 0.1052632), wk = 0.0034364 k( 262) = ( 0.5000000 0.5000000 0.1184210), wk = 0.0034364 k( 263) = ( 0.5000000 0.5000000 0.1315790), wk = 0.0034364 k( 264) = ( 0.5000000 0.5000000 0.1447368), wk = 0.0034364 k( 265) = ( 0.5000000 0.5000000 0.1578947), wk = 0.0034364 k( 266) = ( 0.5000000 0.5000000 0.1710526), wk = 0.0034364 k( 267) = ( 0.5000000 0.5000000 0.1842105), wk = 0.0034364 k( 268) = ( 0.5000000 0.5000000 0.1973684), wk = 0.0034364 k( 269) = ( 0.5000000 0.5000000 0.2105263), wk = 0.0034364 k( 270) = ( 0.5000000 0.5000000 0.2236842), wk = 0.0034364 k( 271) = ( 0.5000000 0.5000000 0.2368421), wk = 0.0034364 k( 272) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0034364 k( 273) = ( 0.5000000 0.5000000 0.2631579), wk = 0.0034364 k( 274) = ( 0.5000000 0.5000000 0.2763158), wk = 0.0034364 k( 275) = ( 0.5000000 0.5000000 0.2894737), wk = 0.0034364 k( 276) = ( 0.5000000 0.5000000 0.3026316), wk = 0.0034364 k( 277) = ( 0.5000000 0.5000000 0.3157895), wk = 0.0034364 k( 278) = ( 0.5000000 0.5000000 0.3289474), wk = 0.0034364 k( 279) = ( 0.5000000 0.5000000 0.3421053), wk = 0.0034364 k( 280) = ( 0.5000000 0.5000000 0.3552632), wk = 0.0034364 k( 281) = ( 0.5000000 0.5000000 0.3684211), wk = 0.0034364 k( 282) = ( 0.5000000 0.5000000 0.3815789), wk = 0.0034364 k( 283) = ( 0.5000000 0.5000000 0.3947368), wk = 0.0034364 k( 284) = ( 0.5000000 0.5000000 0.4078947), wk = 0.0034364 k( 285) = ( 0.5000000 0.5000000 0.4210526), wk = 0.0034364 k( 286) = ( 0.5000000 0.5000000 0.4342105), wk = 0.0034364 k( 287) = ( 0.5000000 0.5000000 0.4473684), wk = 0.0034364 k( 288) = ( 0.5000000 0.5000000 0.4605263), wk = 0.0034364 k( 289) = ( 0.5000000 0.5000000 0.4736842), wk = 0.0034364 k( 290) = ( 0.5000000 0.5000000 0.4868421), wk = 0.0034364 k( 291) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034364 Dense grid: 110699 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 31463 G-vectors FFT dimensions: ( 40, 40, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.21 Mb ( 240, 58) NL pseudopotentials 0.20 Mb ( 120, 110) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 3076) G-vector shells 0.00 Mb ( 607) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.85 Mb ( 240, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.19 Mb ( 110, 2, 58) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./KPdF3.save/charge-density.dat Starting wfc are 60 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.2 secs Computing kpt #: 2 total cpu time spent up to now is 3.8 secs Computing kpt #: 3 total cpu time spent up to now is 4.8 secs Computing kpt #: 4 total cpu time spent up to now is 5.9 secs Computing kpt #: 5 total cpu time spent up to now is 6.8 secs Computing kpt #: 6 total cpu time spent up to now is 7.6 secs Computing kpt #: 7 total cpu time spent up to now is 8.4 secs Computing kpt #: 8 total cpu time spent up to now is 9.2 secs Computing kpt #: 9 total cpu time spent up to now is 10.1 secs Computing kpt #: 10 total cpu time spent up to now is 11.1 secs Computing kpt #: 11 total cpu time spent up to now is 11.9 secs Computing kpt #: 12 total cpu time spent up to now is 12.4 secs Computing kpt #: 13 total cpu time spent up to now is 13.3 secs Computing kpt #: 14 total cpu time spent up to now is 14.1 secs Computing kpt #: 15 total cpu time spent up to now is 14.8 secs Computing kpt #: 16 total cpu time spent up to now is 15.4 secs Computing kpt #: 17 total cpu time spent up to now is 16.4 secs Computing kpt #: 18 total cpu time spent up to now is 17.2 secs Computing kpt #: 19 total cpu time spent up to now is 17.9 secs Computing kpt #: 20 total cpu time spent up to now is 18.7 secs Computing kpt #: 21 total cpu time spent up to now is 19.4 secs Computing kpt #: 22 total cpu time spent up to now is 20.0 secs Computing kpt #: 23 total cpu time spent up to now is 20.6 secs Computing kpt #: 24 total cpu time spent up to now is 21.8 secs Computing kpt #: 25 total cpu time spent up to now is 22.8 secs Computing kpt #: 26 total cpu time spent up to now is 23.5 secs Computing kpt #: 27 total cpu time spent up to now is 24.3 secs Computing kpt #: 28 total cpu time spent up to now is 24.8 secs Computing kpt #: 29 total cpu time spent up to now is 25.4 secs Computing kpt #: 30 total cpu time spent up to now is 25.9 secs Computing kpt #: 31 total cpu time spent up to now is 26.5 secs Computing kpt #: 32 total cpu time spent up to now is 27.0 secs Computing kpt #: 33 total cpu time spent up to now is 27.5 secs Computing kpt #: 34 total cpu time spent up to now is 28.0 secs Computing kpt #: 35 total cpu time spent up to now is 28.5 secs Computing kpt #: 36 total cpu time spent up to now is 29.0 secs Computing kpt #: 37 total cpu time spent up to now is 29.5 secs Computing kpt #: 38 total cpu time spent up to now is 30.0 secs Computing kpt #: 39 total cpu time spent up to now is 30.6 secs Computing kpt #: 40 total cpu time spent up to now is 31.1 secs Computing kpt #: 41 total cpu time spent up to now is 31.6 secs Computing kpt #: 42 total cpu time spent up to now is 32.1 secs Computing kpt #: 43 total cpu time spent up to now is 32.6 secs Computing kpt #: 44 total cpu time spent up to now is 33.0 secs Computing kpt #: 45 total cpu time spent up to now is 33.5 secs Computing kpt #: 46 total cpu time spent up to now is 34.0 secs Computing kpt #: 47 total cpu time spent up to now is 34.5 secs Computing kpt #: 48 total cpu time spent up to now is 34.9 secs Computing kpt #: 49 total cpu time spent up to now is 35.4 secs Computing kpt #: 50 total cpu time spent up to now is 35.8 secs Computing kpt #: 51 total cpu time spent up to now is 36.2 secs Computing kpt #: 52 total cpu time spent up to now is 36.7 secs Computing kpt #: 53 total cpu time spent up to now is 37.1 secs Computing kpt #: 54 total cpu time spent up to now is 37.5 secs Computing kpt #: 55 total cpu time spent up to now is 37.9 secs Computing kpt #: 56 total cpu time spent up to now is 38.4 secs Computing kpt #: 57 total cpu time spent up to now is 38.8 secs Computing kpt #: 58 total cpu time spent up to now is 39.2 secs Computing kpt #: 59 total cpu time spent up to now is 39.6 secs Computing kpt #: 60 total cpu time spent up to now is 40.0 secs Computing kpt #: 61 total cpu time spent up to now is 40.4 secs Computing kpt #: 62 total cpu time spent up to now is 40.9 secs Computing kpt #: 63 total cpu time spent up to now is 41.3 secs Computing kpt #: 64 total cpu time spent up to now is 41.7 secs Computing kpt #: 65 total cpu time spent up to now is 42.1 secs Computing kpt #: 66 total cpu time spent up to now is 42.5 secs Computing kpt #: 67 total cpu time spent up to now is 42.9 secs Computing kpt #: 68 total cpu time spent up to now is 43.3 secs Computing kpt #: 69 total cpu time spent up to now is 43.8 secs Computing kpt #: 70 total cpu time spent up to now is 44.2 secs Computing kpt #: 71 total cpu time spent up to now is 44.6 secs Computing kpt #: 72 total cpu time spent up to now is 45.0 secs Computing kpt #: 73 total cpu time spent up to now is 45.4 secs Computing kpt #: 74 total cpu time spent up to now is 45.8 secs Computing kpt #: 75 total cpu time spent up to now is 46.2 secs Computing kpt #: 76 total cpu time spent up to now is 46.6 secs Computing kpt #: 77 total cpu time spent up to now is 47.0 secs Computing kpt #: 78 total cpu time spent up to now is 47.4 secs Computing kpt #: 79 total cpu time spent up to now is 47.8 secs Computing kpt #: 80 total cpu time spent up to now is 48.1 secs Computing kpt #: 81 total cpu time spent up to now is 48.5 secs Computing kpt #: 82 total cpu time spent up to now is 48.9 secs Computing kpt #: 83 total cpu time spent up to now is 49.3 secs Computing kpt #: 84 total cpu time spent up to now is 49.8 secs Computing kpt #: 85 total cpu time spent up to now is 50.2 secs Computing kpt #: 86 total cpu time spent up to now is 50.6 secs Computing kpt #: 87 total cpu time spent up to now is 51.0 secs Computing kpt #: 88 total cpu time spent up to now is 51.4 secs Computing kpt #: 89 total cpu time spent up to now is 51.8 secs Computing kpt #: 90 total cpu time spent up to now is 52.3 secs Computing kpt #: 91 total cpu time spent up to now is 52.7 secs Computing kpt #: 92 total cpu time spent up to now is 53.1 secs Computing kpt #: 93 total cpu time spent up to now is 53.5 secs Computing kpt #: 94 total cpu time spent up to now is 53.9 secs Computing kpt #: 95 total cpu time spent up to now is 54.4 secs Computing kpt #: 96 total cpu time spent up to now is 54.8 secs Computing kpt #: 97 total cpu time spent up to now is 55.2 secs Computing kpt #: 98 total cpu time spent up to now is 55.6 secs Computing kpt #: 99 total cpu time spent up to now is 56.1 secs Computing kpt #: 100 total cpu time spent up to now is 56.5 secs Computing kpt #: 101 total cpu time spent up to now is 56.9 secs Computing kpt #: 102 total cpu time spent up to now is 57.4 secs Computing kpt #: 103 total cpu time spent up to now is 57.8 secs Computing kpt #: 104 total cpu time spent up to now is 58.2 secs Computing kpt #: 105 total cpu time spent up to now is 58.7 secs Computing kpt #: 106 total cpu time spent up to now is 59.1 secs Computing kpt #: 107 total cpu time spent up to now is 59.5 secs Computing kpt #: 108 total cpu time spent up to now is 60.0 secs Computing kpt #: 109 total cpu time spent up to now is 60.4 secs Computing kpt #: 110 total cpu time spent up to now is 60.8 secs Computing kpt #: 111 total cpu time spent up to now is 61.3 secs Computing kpt #: 112 total cpu time spent up to now is 61.7 secs Computing kpt #: 113 total cpu time spent up to now is 62.1 secs Computing kpt #: 114 total cpu time spent up to now is 62.6 secs Computing kpt #: 115 total cpu time spent up to now is 63.0 secs Computing kpt #: 116 total cpu time spent up to now is 63.4 secs Computing kpt #: 117 total cpu time spent up to now is 63.9 secs Computing kpt #: 118 total cpu time spent up to now is 64.3 secs Computing kpt #: 119 total cpu time spent up to now is 64.8 secs Computing kpt #: 120 total cpu time spent up to now is 65.3 secs Computing kpt #: 121 total cpu time spent up to now is 65.8 secs Computing kpt #: 122 total cpu time spent up to now is 66.3 secs Computing kpt #: 123 total cpu time spent up to now is 66.8 secs Computing kpt #: 124 total cpu time spent up to now is 67.7 secs Computing kpt #: 125 total cpu time spent up to now is 68.7 secs Computing kpt #: 126 total cpu time spent up to now is 69.3 secs Computing kpt #: 127 total cpu time spent up to now is 69.9 secs Computing kpt #: 128 total cpu time spent up to now is 70.6 secs Computing kpt #: 129 total cpu time spent up to now is 71.3 secs Computing kpt #: 130 total cpu time spent up to now is 71.9 secs Computing kpt #: 131 total cpu time spent up to now is 72.4 secs Computing kpt #: 132 total cpu time spent up to now is 72.9 secs Computing kpt #: 133 total cpu time spent up to now is 73.4 secs Computing kpt #: 134 total cpu time spent up to now is 74.0 secs Computing kpt #: 135 total cpu time spent up to now is 75.0 secs Computing kpt #: 136 total cpu time spent up to now is 75.8 secs Computing kpt #: 137 total cpu time spent up to now is 76.5 secs Computing kpt #: 138 total cpu time spent up to now is 77.1 secs Computing kpt #: 139 total cpu time spent up to now is 77.6 secs Computing kpt #: 140 total cpu time spent up to now is 78.2 secs Computing kpt #: 141 total cpu time spent up to now is 78.7 secs Computing kpt #: 142 total cpu time spent up to now is 79.2 secs Computing kpt #: 143 total cpu time spent up to now is 79.6 secs Computing kpt #: 144 total cpu time spent up to now is 80.1 secs Computing kpt #: 145 total cpu time spent up to now is 80.6 secs Computing kpt #: 146 total cpu time spent up to now is 81.0 secs Computing kpt #: 147 total cpu time spent up to now is 81.5 secs Computing kpt #: 148 total cpu time spent up to now is 81.9 secs Computing kpt #: 149 total cpu time spent up to now is 82.4 secs Computing kpt #: 150 total cpu time spent up to now is 82.8 secs Computing kpt #: 151 total cpu time spent up to now is 83.2 secs Computing kpt #: 152 total cpu time spent up to now is 83.7 secs Computing kpt #: 153 total cpu time spent up to now is 84.1 secs Computing kpt #: 154 total cpu time spent up to now is 84.5 secs Computing kpt #: 155 total cpu time spent up to now is 85.0 secs Computing kpt #: 156 total cpu time spent up to now is 85.4 secs Computing kpt #: 157 total cpu time spent up to now is 86.0 secs Computing kpt #: 158 total cpu time spent up to now is 86.4 secs Computing kpt #: 159 total cpu time spent up to now is 86.9 secs Computing kpt #: 160 total cpu time spent up to now is 87.3 secs Computing kpt #: 161 total cpu time spent up to now is 87.7 secs Computing kpt #: 162 total cpu time spent up to now is 88.2 secs Computing kpt #: 163 total cpu time spent up to now is 88.6 secs Computing kpt #: 164 total cpu time spent up to now is 89.1 secs Computing kpt #: 165 total cpu time spent up to now is 89.5 secs Computing kpt #: 166 total cpu time spent up to now is 90.0 secs Computing kpt #: 167 total cpu time spent up to now is 90.4 secs Computing kpt #: 168 total cpu time spent up to now is 90.9 secs Computing kpt #: 169 total cpu time spent up to now is 91.3 secs Computing kpt #: 170 total cpu time spent up to now is 91.8 secs Computing kpt #: 171 total cpu time spent up to now is 92.2 secs Computing kpt #: 172 total cpu time spent up to now is 92.7 secs Computing kpt #: 173 total cpu time spent up to now is 93.1 secs Computing kpt #: 174 total cpu time spent up to now is 93.5 secs Computing kpt #: 175 total cpu time spent up to now is 94.0 secs Computing kpt #: 176 total cpu time spent up to now is 94.4 secs Computing kpt #: 177 total cpu time spent up to now is 94.8 secs Computing kpt #: 178 total cpu time spent up to now is 95.3 secs Computing kpt #: 179 total cpu time spent up to now is 95.7 secs Computing kpt #: 180 total cpu time spent up to now is 96.1 secs Computing kpt #: 181 total cpu time spent up to now is 96.5 secs Computing kpt #: 182 total cpu time spent up to now is 97.0 secs Computing kpt #: 183 total cpu time spent up to now is 97.4 secs Computing kpt #: 184 total cpu time spent up to now is 97.8 secs Computing kpt #: 185 total cpu time spent up to now is 98.3 secs Computing kpt #: 186 total cpu time spent up to now is 98.7 secs Computing kpt #: 187 total cpu time spent up to now is 99.1 secs Computing kpt #: 188 total cpu time spent up to now is 99.5 secs Computing kpt #: 189 total cpu time spent up to now is 100.0 secs Computing kpt #: 190 total cpu time spent up to now is 100.5 secs Computing kpt #: 191 total cpu time spent up to now is 100.9 secs Computing kpt #: 192 total cpu time spent up to now is 101.3 secs Computing kpt #: 193 total cpu time spent up to now is 101.7 secs Computing kpt #: 194 total cpu time spent up to now is 102.1 secs Computing kpt #: 195 total cpu time spent up to now is 102.6 secs Computing kpt #: 196 total cpu time spent up to now is 103.0 secs Computing kpt #: 197 total cpu time spent up to now is 103.4 secs Computing kpt #: 198 total cpu time spent up to now is 103.8 secs Computing kpt #: 199 total cpu time spent up to now is 104.2 secs Computing kpt #: 200 total cpu time spent up to now is 104.7 secs Computing kpt #: 201 total cpu time spent up to now is 105.2 secs Computing kpt #: 202 total cpu time spent up to now is 105.6 secs Computing kpt #: 203 total cpu time spent up to now is 106.0 secs Computing kpt #: 204 total cpu time spent up to now is 106.4 secs Computing kpt #: 205 total cpu time spent up to now is 106.9 secs Computing kpt #: 206 total cpu time spent up to now is 107.3 secs Computing kpt #: 207 total cpu time spent up to now is 107.7 secs Computing kpt #: 208 total cpu time spent up to now is 108.2 secs Computing kpt #: 209 total cpu time spent up to now is 108.6 secs Computing kpt #: 210 total cpu time spent up to now is 109.1 secs Computing kpt #: 211 total cpu time spent up to now is 109.5 secs Computing kpt #: 212 total cpu time spent up to now is 109.9 secs Computing kpt #: 213 total cpu time spent up to now is 110.4 secs Computing kpt #: 214 total cpu time spent up to now is 110.8 secs Computing kpt #: 215 total cpu time spent up to now is 111.3 secs Computing kpt #: 216 total cpu time spent up to now is 111.7 secs Computing kpt #: 217 total cpu time spent up to now is 112.2 secs Computing kpt #: 218 total cpu time spent up to now is 112.7 secs Computing kpt #: 219 total cpu time spent up to now is 113.2 secs Computing kpt #: 220 total cpu time spent up to now is 113.8 secs Computing kpt #: 221 total cpu time spent up to now is 114.3 secs Computing kpt #: 222 total cpu time spent up to now is 114.8 secs Computing kpt #: 223 total cpu time spent up to now is 115.4 secs Computing kpt #: 224 total cpu time spent up to now is 115.9 secs Computing kpt #: 225 total cpu time spent up to now is 116.4 secs Computing kpt #: 226 total cpu time spent up to now is 116.8 secs Computing kpt #: 227 total cpu time spent up to now is 117.3 secs Computing kpt #: 228 total cpu time spent up to now is 117.7 secs Computing kpt #: 229 total cpu time spent up to now is 118.2 secs Computing kpt #: 230 total cpu time spent up to now is 118.6 secs Computing kpt #: 231 total cpu time spent up to now is 119.1 secs Computing kpt #: 232 total cpu time spent up to now is 119.5 secs Computing kpt #: 233 total cpu time spent up to now is 119.9 secs Computing kpt #: 234 total cpu time spent up to now is 120.4 secs Computing kpt #: 235 total cpu time spent up to now is 120.8 secs Computing kpt #: 236 total cpu time spent up to now is 121.2 secs Computing kpt #: 237 total cpu time spent up to now is 121.7 secs Computing kpt #: 238 total cpu time spent up to now is 122.1 secs Computing kpt #: 239 total cpu time spent up to now is 122.6 secs Computing kpt #: 240 total cpu time spent up to now is 123.1 secs Computing kpt #: 241 total cpu time spent up to now is 123.5 secs Computing kpt #: 242 total cpu time spent up to now is 124.0 secs Computing kpt #: 243 total cpu time spent up to now is 124.5 secs Computing kpt #: 244 total cpu time spent up to now is 124.9 secs Computing kpt #: 245 total cpu time spent up to now is 125.4 secs Computing kpt #: 246 total cpu time spent up to now is 125.9 secs Computing kpt #: 247 total cpu time spent up to now is 126.4 secs Computing kpt #: 248 total cpu time spent up to now is 126.9 secs Computing kpt #: 249 total cpu time spent up to now is 127.4 secs Computing kpt #: 250 total cpu time spent up to now is 127.9 secs Computing kpt #: 251 total cpu time spent up to now is 128.4 secs Computing kpt #: 252 total cpu time spent up to now is 128.9 secs Computing kpt #: 253 total cpu time spent up to now is 129.2 secs Computing kpt #: 254 total cpu time spent up to now is 129.6 secs Computing kpt #: 255 total cpu time spent up to now is 130.0 secs Computing kpt #: 256 total cpu time spent up to now is 130.4 secs Computing kpt #: 257 total cpu time spent up to now is 130.8 secs Computing kpt #: 258 total cpu time spent up to now is 131.2 secs Computing kpt #: 259 total cpu time spent up to now is 131.6 secs Computing kpt #: 260 total cpu time spent up to now is 132.0 secs Computing kpt #: 261 total cpu time spent up to now is 132.4 secs Computing kpt #: 262 total cpu time spent up to now is 132.7 secs Computing kpt #: 263 total cpu time spent up to now is 133.1 secs Computing kpt #: 264 total cpu time spent up to now is 133.5 secs Computing kpt #: 265 total cpu time spent up to now is 133.9 secs Computing kpt #: 266 total cpu time spent up to now is 134.4 secs Computing kpt #: 267 total cpu time spent up to now is 134.8 secs Computing kpt #: 268 total cpu time spent up to now is 135.1 secs Computing kpt #: 269 total cpu time spent up to now is 135.5 secs Computing kpt #: 270 total cpu time spent up to now is 136.0 secs Computing kpt #: 271 total cpu time spent up to now is 136.4 secs Computing kpt #: 272 total cpu time spent up to now is 136.8 secs Computing kpt #: 273 total cpu time spent up to now is 137.2 secs Computing kpt #: 274 total cpu time spent up to now is 137.6 secs Computing kpt #: 275 total cpu time spent up to now is 138.0 secs Computing kpt #: 276 total cpu time spent up to now is 138.5 secs Computing kpt #: 277 total cpu time spent up to now is 138.9 secs Computing kpt #: 278 total cpu time spent up to now is 139.3 secs Computing kpt #: 279 total cpu time spent up to now is 139.7 secs Computing kpt #: 280 total cpu time spent up to now is 140.2 secs Computing kpt #: 281 total cpu time spent up to now is 140.6 secs Computing kpt #: 282 total cpu time spent up to now is 141.1 secs Computing kpt #: 283 total cpu time spent up to now is 141.5 secs Computing kpt #: 284 total cpu time spent up to now is 142.0 secs Computing kpt #: 285 total cpu time spent up to now is 142.5 secs Computing kpt #: 286 total cpu time spent up to now is 142.9 secs Computing kpt #: 287 total cpu time spent up to now is 143.3 secs Computing kpt #: 288 total cpu time spent up to now is 143.7 secs Computing kpt #: 289 total cpu time spent up to now is 144.1 secs Computing kpt #: 290 total cpu time spent up to now is 144.5 secs Computing kpt #: 291 total cpu time spent up to now is 144.9 secs ethr = 2.08E-08, avg # of iterations = 23.1 total cpu time spent up to now is 144.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3911 PWs) bands (ev): -77.3096 -77.3096 -46.1416 -46.1416 -41.6791 -41.6791 -41.6791 -41.6791 -22.5132 -22.5132 -16.5338 -16.5338 -16.2070 -16.2070 -16.2070 -16.2070 -6.1600 -6.1600 -5.8949 -5.8949 -5.8949 -5.8949 1.2132 1.2132 1.2931 1.2931 1.2931 1.2931 2.7438 2.7438 2.7438 2.7438 2.7730 2.7730 2.7872 2.7872 2.8544 2.8544 2.8544 2.8544 4.6049 4.6049 4.6049 4.6049 4.9525 4.9525 5.5554 5.5554 5.5554 5.5554 9.5209 9.5209 13.4141 13.4141 13.4141 13.4141 15.7160 15.7160 k = 0.0000 0.0132-0.0000 ( 3899 PWs) bands (ev): -77.3096 -77.3096 -46.1416 -46.1416 -41.6791 -41.6791 -41.6791 -41.6791 -22.5132 -22.5132 -16.5336 -16.5336 -16.2070 -16.2070 -16.2070 -16.2070 -6.1600 -6.1600 -5.8949 -5.8949 -5.8948 -5.8948 1.2124 1.2124 1.2914 1.2914 1.2932 1.2932 2.7427 2.7427 2.7433 2.7433 2.7723 2.7723 2.7861 2.7861 2.8524 2.8524 2.8537 2.8537 4.6056 4.6056 4.6072 4.6072 4.9538 4.9538 5.5555 5.5555 5.5597 5.5597 9.5237 9.5237 13.4153 13.4153 13.4154 13.4154 15.7155 15.7157 k = 0.0000 0.0263-0.0000 ( 3899 PWs) bands (ev): -77.3096 -77.3096 -46.1416 -46.1416 -41.6791 -41.6791 -41.6791 -41.6791 -22.5132 -22.5132 -16.5331 -16.5331 -16.2070 -16.2070 -16.2070 -16.2070 -6.1600 -6.1600 -5.8949 -5.8949 -5.8947 -5.8947 1.2098 1.2098 1.2867 1.2867 1.2935 1.2935 2.7395 2.7395 2.7418 2.7418 2.7701 2.7701 2.7823 2.7823 2.8463 2.8463 2.8517 2.8517 4.6075 4.6075 4.6139 4.6139 4.9575 4.9575 5.5556 5.5556 5.5724 5.5724 9.5322 9.5322 13.4188 13.4188 13.4193 13.4193 15.7138 15.7139 k = 0.0000 0.0395-0.0000 ( 3899 PWs) bands (ev): -77.3096 -77.3096 -46.1416 -46.1416 -41.6791 -41.6791 -41.6791 -41.6791 -22.5131 -22.5131 -16.5322 -16.5322 -16.2070 -16.2070 -16.2069 -16.2069 -6.1599 -6.1599 -5.8950 -5.8950 -5.8946 -5.8946 1.2047 1.2047 1.2798 1.2798 1.2941 1.2941 2.7338 2.7338 2.7391 2.7391 2.7665 2.7665 2.7757 2.7757 2.8370 2.8370 2.8484 2.8484 4.6105 4.6105 4.6249 4.6249 4.9636 4.9636 5.5559 5.5559 5.5932 5.5932 9.5463 9.5463 13.4247 13.4247 13.4258 13.4258 15.7110 15.7111 k = 0.0000 0.0526-0.0000 ( 3903 PWs) bands (ev): -77.3096 -77.3096 -46.1416 -46.1416 -41.6791 -41.6791 -41.6791 -41.6791 -22.5130 -22.5130 -16.5310 -16.5310 -16.2069 -16.2069 -16.2068 -16.2068 -6.1598 -6.1598 -5.8950 -5.8950 -5.8943 -5.8943 1.1955 1.1955 1.2721 1.2721 1.2949 1.2949 2.7254 2.7254 2.7349 2.7349 2.7618 2.7618 2.7659 2.7659 2.8260 2.8260 2.8444 2.8444 4.6146 4.6146 4.6399 4.6399 4.9721 4.9721 5.5562 5.5562 5.6216 5.6216 9.5659 9.5659 13.4328 13.4328 13.4346 13.4346 15.7071 15.7072 k = 0.0000 0.0658-0.0000 ( 3903 PWs) bands (ev): -77.3096 -77.3096 -46.1416 -46.1416 -41.6792 -41.6792 -41.6791 -41.6791 -22.5128 -22.5128 -16.5295 -16.5295 -16.2069 -16.2069 -16.2066 -16.2066 -6.1597 -6.1597 -5.8951 -5.8951 -5.8940 -5.8940 1.1809 1.1809 1.2653 1.2653 1.2959 1.2959 2.7141 2.7141 2.7283 2.7283 2.7520 2.7520 2.7562 2.7562 2.8152 2.8152 2.8399 2.8399 4.6194 4.6194 4.6587 4.6587 4.9832 4.9832 5.5567 5.5567 5.6571 5.6571 9.5912 9.5912 13.4432 13.4432 13.4459 13.4459 15.7022 15.7023 k = 0.0000 0.0789-0.0000 ( 3911 PWs) bands (ev): -77.3096 -77.3096 -46.1416 -46.1416 -41.6792 -41.6792 -41.6791 -41.6791 -22.5127 -22.5127 -16.5277 -16.5277 -16.2068 -16.2068 -16.2064 -16.2064 -6.1596 -6.1596 -5.8952 -5.8952 -5.8936 -5.8936 1.1598 1.1598 1.2605 1.2605 1.2971 1.2971 2.6997 2.6997 2.7188 2.7188 2.7335 2.7335 2.7505 2.7505 2.8060 2.8060 2.8354 2.8354 4.6247 4.6247 4.6807 4.6807 4.9966 4.9966 5.5573 5.5573 5.6990 5.6990 9.6220 9.6220 13.4558 13.4558 13.4593 13.4593 15.6963 15.6964 k = 0.0000 0.0921-0.0000 ( 3911 PWs) bands (ev): -77.3096 -77.3096 -46.1416 -46.1416 -41.6793 -41.6793 -41.6791 -41.6791 -22.5125 -22.5125 -16.5256 -16.5256 -16.2067 -16.2067 -16.2061 -16.2061 -6.1594 -6.1594 -5.8953 -5.8953 -5.8931 -5.8931 1.1324 1.1324 1.2579 1.2579 1.2985 1.2985 2.6826 2.6826 2.7060 2.7060 2.7107 2.7107 2.7451 2.7451 2.7988 2.7988 2.8309 2.8309 4.6305 4.6305 4.7058 4.7058 5.0126 5.0126 5.5580 5.5580 5.7465 5.7465 9.6583 9.6583 13.4705 13.4705 13.4746 13.4746 15.6895 15.6896 k = 0.0000 0.1053-0.0000 ( 3915 PWs) bands (ev): -77.3096 -77.3096 -46.1417 -46.1417 -41.6793 -41.6793 -41.6791 -41.6791 -22.5122 -22.5122 -16.5232 -16.5232 -16.2066 -16.2066 -16.2058 -16.2058 -6.1592 -6.1592 -5.8954 -5.8954 -5.8926 -5.8926 1.0995 1.0995 1.2568 1.2568 1.3002 1.3002 2.6629 2.6629 2.6846 2.6846 2.6899 2.6899 2.7399 2.7399 2.7931 2.7931 2.8268 2.8268 4.6364 4.6364 4.7335 4.7335 5.0309 5.0309 5.5589 5.5589 5.7987 5.7987 9.7001 9.7001 13.4872 13.4872 13.4917 13.4917 15.6818 15.6818 k = 0.0000 0.1184-0.0000 ( 3919 PWs) bands (ev): -77.3096 -77.3096 -46.1417 -46.1417 -41.6794 -41.6794 -41.6791 -41.6791 -22.5120 -22.5120 -16.5206 -16.5206 -16.2065 -16.2065 -16.2055 -16.2055 -6.1590 -6.1590 -5.8956 -5.8956 -5.8920 -5.8920 1.0618 1.0618 1.2568 1.2568 1.3021 1.3021 2.6409 2.6409 2.6565 2.6565 2.6710 2.6710 2.7348 2.7348 2.7885 2.7885 2.8229 2.8229 4.6423 4.6423 4.7635 4.7635 5.0514 5.0514 5.5598 5.5598 5.8548 5.8548 9.7471 9.7471 13.5059 13.5059 13.5102 13.5102 15.6733 15.6733 k = 0.0000 0.1316-0.0000 ( 3927 PWs) bands (ev): -77.3096 -77.3096 -46.1417 -46.1417 -41.6795 -41.6795 -41.6791 -41.6791 -22.5117 -22.5117 -16.5177 -16.5177 -16.2064 -16.2064 -16.2051 -16.2051 -6.1588 -6.1588 -5.8957 -5.8957 -5.8914 -5.8914 1.0199 1.0199 1.2577 1.2577 1.3042 1.3042 2.6171 2.6171 2.6270 2.6270 2.6498 2.6498 2.7297 2.7297 2.7846 2.7846 2.8193 2.8193 4.6480 4.6480 4.7953 4.7953 5.0740 5.0740 5.5610 5.5610 5.9140 5.9140 9.7995 9.7995 13.5264 13.5264 13.5298 13.5298 15.6641 15.6641 k = 0.0000 0.1447-0.0000 ( 3931 PWs) bands (ev): -77.3096 -77.3096 -46.1417 -46.1417 -41.6796 -41.6796 -41.6791 -41.6791 -22.5114 -22.5114 -16.5146 -16.5146 -16.2063 -16.2063 -16.2047 -16.2047 -6.1586 -6.1586 -5.8959 -5.8959 -5.8907 -5.8907 0.9744 0.9744 1.2593 1.2593 1.3066 1.3066 2.5917 2.5917 2.5971 2.5971 2.6267 2.6267 2.7243 2.7243 2.7812 2.7812 2.8158 2.8158 4.6535 4.6535 4.8287 4.8287 5.0985 5.0985 5.5623 5.5623 5.9757 5.9757 9.8570 9.8570 13.5486 13.5486 13.5501 13.5501 15.6542 15.6542 k = 0.0000 0.1579-0.0000 ( 3923 PWs) bands (ev): -77.3096 -77.3096 -46.1417 -46.1417 -41.6797 -41.6797 -41.6790 -41.6790 -22.5110 -22.5110 -16.5113 -16.5113 -16.2062 -16.2062 -16.2041 -16.2041 -6.1583 -6.1583 -5.8960 -5.8960 -5.8900 -5.8900 0.9259 0.9259 1.2614 1.2614 1.3092 1.3092 2.5646 2.5646 2.5674 2.5674 2.6020 2.6020 2.7190 2.7190 2.7780 2.7780 2.8126 2.8126 4.6588 4.6588 4.8635 4.8635 5.1246 5.1246 5.5639 5.5639 6.0390 6.0390 9.9196 9.9196 13.5706 13.5706 13.5724 13.5724 15.6438 15.6438 k = 0.0000 0.1711-0.0000 ( 3919 PWs) bands (ev): -77.3096 -77.3096 -46.1418 -46.1418 -41.6798 -41.6798 -41.6790 -41.6790 -22.5107 -22.5107 -16.5079 -16.5079 -16.2060 -16.2060 -16.2036 -16.2036 -6.1581 -6.1581 -5.8962 -5.8962 -5.8892 -5.8892 0.8749 0.8749 1.2639 1.2639 1.3121 1.3121 2.5355 2.5355 2.5390 2.5390 2.5761 2.5761 2.7133 2.7133 2.7750 2.7750 2.8094 2.8094 4.6637 4.6637 4.8992 4.8992 5.1521 5.1521 5.5658 5.5658 6.1031 6.1031 9.9870 9.9870 13.5908 13.5908 13.5976 13.5976 15.6329 15.6329 k = 0.0000 0.1842-0.0000 ( 3919 PWs) bands (ev): -77.3096 -77.3096 -46.1418 -46.1418 -41.6799 -41.6799 -41.6790 -41.6790 -22.5103 -22.5103 -16.5043 -16.5043 -16.2059 -16.2059 -16.2029 -16.2029 -6.1578 -6.1578 -5.8963 -5.8963 -5.8884 -5.8884 0.8218 0.8218 1.2668 1.2668 1.3151 1.3151 2.5060 2.5060 2.5108 2.5108 2.5493 2.5493 2.7075 2.7075 2.7721 2.7721 2.8064 2.8064 4.6682 4.6682 4.9356 4.9356 5.1804 5.1804 5.5679 5.5679 6.1678 6.1678 10.0592 10.0592 13.6100 13.6100 13.6241 13.6241 15.6215 15.6215 k = 0.0000 0.1974-0.0000 ( 3919 PWs) bands (ev): -77.3096 -77.3096 -46.1418 -46.1418 -41.6799 -41.6799 -41.6790 -41.6790 -22.5100 -22.5100 -16.5006 -16.5006 -16.2057 -16.2057 -16.2022 -16.2022 -6.1575 -6.1575 -5.8965 -5.8965 -5.8876 -5.8876 0.7672 0.7672 1.2700 1.2700 1.3183 1.3183 2.4766 2.4766 2.4827 2.4827 2.5217 2.5217 2.7016 2.7016 2.7692 2.7692 2.8034 2.8034 4.6724 4.6724 4.9723 4.9723 5.2095 5.2095 5.5704 5.5704 6.2323 6.2323 10.1359 10.1359 13.6276 13.6276 13.6518 13.6518 15.6099 15.6099 k = 0.0000 0.2105-0.0000 ( 3920 PWs) bands (ev): -77.3096 -77.3096 -46.1418 -46.1418 -41.6801 -41.6801 -41.6790 -41.6790 -22.5096 -22.5096 -16.4969 -16.4969 -16.2056 -16.2056 -16.2015 -16.2015 -6.1573 -6.1573 -5.8967 -5.8967 -5.8867 -5.8867 0.7115 0.7115 1.2735 1.2735 1.3218 1.3218 2.4475 2.4475 2.4550 2.4550 2.4938 2.4938 2.6955 2.6955 2.7664 2.7664 2.8005 2.8005 4.6763 4.6763 5.0093 5.0093 5.2388 5.2388 5.5733 5.5733 6.2961 6.2961 10.2170 10.2170 13.6429 13.6429 13.6804 13.6804 15.5980 15.5980 k = 0.0000 0.2237-0.0000 ( 3932 PWs) bands (ev): -77.3096 -77.3096 -46.1419 -46.1419 -41.6802 -41.6802 -41.6790 -41.6790 -22.5092 -22.5092 -16.4931 -16.4931 -16.2054 -16.2054 -16.2007 -16.2007 -6.1570 -6.1570 -5.8968 -5.8968 -5.8859 -5.8859 0.6552 0.6552 1.2773 1.2773 1.3255 1.3255 2.4183 2.4183 2.4280 2.4280 2.4655 2.4655 2.6893 2.6893 2.7636 2.7636 2.7975 2.7975 4.6798 4.6798 5.0461 5.0461 5.2680 5.2680 5.5767 5.5767 6.3587 6.3587 10.3023 10.3023 13.6551 13.6551 13.7098 13.7098 15.5859 15.5859 k = 0.0000 0.2368-0.0000 ( 3932 PWs) bands (ev): -77.3096 -77.3096 -46.1419 -46.1419 -41.6803 -41.6803 -41.6790 -41.6790 -22.5088 -22.5088 -16.4894 -16.4894 -16.2053 -16.2053 -16.1998 -16.1998 -6.1567 -6.1567 -5.8970 -5.8970 -5.8850 -5.8850 0.5989 0.5989 1.2814 1.2814 1.3294 1.3294 2.3893 2.3893 2.4022 2.4022 2.4373 2.4373 2.6831 2.6831 2.7608 2.7608 2.7947 2.7947 4.6830 4.6830 5.0828 5.0828 5.2969 5.2969 5.5808 5.5808 6.4199 6.4199 10.3914 10.3914 13.6634 13.6634 13.7397 13.7397 15.5738 15.5739 k = 0.0000 0.2500-0.0000 ( 3948 PWs) bands (ev): -77.3096 -77.3096 -46.1419 -46.1419 -41.6804 -41.6804 -41.6790 -41.6790 -22.5084 -22.5084 -16.4856 -16.4856 -16.2051 -16.2051 -16.1989 -16.1989 -6.1565 -6.1565 -5.8972 -5.8972 -5.8841 -5.8841 0.5427 0.5427 1.2857 1.2857 1.3334 1.3334 2.3603 2.3603 2.3776 2.3776 2.4092 2.4092 2.6768 2.6768 2.7581 2.7581 2.7918 2.7918 4.6860 4.6860 5.1189 5.1189 5.3248 5.3248 5.5857 5.5857 6.4793 6.4793 10.4842 10.4842 13.6671 13.6671 13.7701 13.7701 15.5618 15.5618 k = 0.0000 0.2632-0.0000 ( 3948 PWs) bands (ev): -77.3096 -77.3096 -46.1420 -46.1420 -41.6805 -41.6805 -41.6790 -41.6790 -22.5080 -22.5080 -16.4819 -16.4819 -16.2049 -16.2049 -16.1979 -16.1979 -6.1562 -6.1562 -5.8973 -5.8973 -5.8832 -5.8832 0.4872 0.4872 1.2902 1.2902 1.3377 1.3377 2.3317 2.3317 2.3542 2.3542 2.3814 2.3814 2.6706 2.6706 2.7554 2.7554 2.7891 2.7891 4.6888 4.6888 5.1544 5.1544 5.3515 5.3515 5.5916 5.5916 6.5367 6.5367 10.5804 10.5804 13.6654 13.6654 13.8006 13.8006 15.5498 15.5498 k = 0.0000 0.2763-0.0000 ( 3948 PWs) bands (ev): -77.3096 -77.3096 -46.1420 -46.1420 -41.6806 -41.6806 -41.6790 -41.6790 -22.5076 -22.5076 -16.4782 -16.4782 -16.2048 -16.2048 -16.1969 -16.1969 -6.1559 -6.1559 -5.8974 -5.8974 -5.8823 -5.8823 0.4328 0.4328 1.2949 1.2949 1.3421 1.3421 2.3035 2.3035 2.3321 2.3321 2.3541 2.3541 2.6644 2.6644 2.7528 2.7528 2.7865 2.7865 4.6913 4.6913 5.1891 5.1891 5.3765 5.3765 5.5988 5.5988 6.5917 6.5917 10.6798 10.6798 13.6577 13.6577 13.8312 13.8312 15.5380 15.5380 k = 0.0000 0.2895-0.0000 ( 3948 PWs) bands (ev): -77.3096 -77.3096 -46.1420 -46.1420 -41.6807 -41.6807 -41.6790 -41.6790 -22.5072 -22.5072 -16.4746 -16.4746 -16.2046 -16.2046 -16.1958 -16.1958 -6.1557 -6.1557 -5.8976 -5.8976 -5.8814 -5.8814 0.3799 0.3799 1.2998 1.2998 1.3466 1.3466 2.2759 2.2759 2.3113 2.3113 2.3273 2.3273 2.6584 2.6584 2.7503 2.7503 2.7839 2.7839 4.6936 4.6936 5.2227 5.2227 5.3994 5.3994 5.6074 5.6074 6.6442 6.6442 10.7819 10.7819 13.6433 13.6433 13.8615 13.8615 15.5264 15.5264 k = 0.0000 0.3026-0.0000 ( 3952 PWs) bands (ev): -77.3096 -77.3096 -46.1420 -46.1420 -41.6808 -41.6808 -41.6790 -41.6790 -22.5068 -22.5068 -16.4712 -16.4712 -16.2045 -16.2045 -16.1947 -16.1947 -6.1554 -6.1554 -5.8977 -5.8977 -5.8806 -5.8806 0.3286 0.3286 1.3048 1.3048 1.3512 1.3512 2.2491 2.2491 2.2916 2.2916 2.3013 2.3013 2.6524 2.6524 2.7479 2.7479 2.7814 2.7814 4.6957 4.6957 5.2552 5.2552 5.4198 5.4198 5.6177 5.6177 6.6941 6.6941 10.8866 10.8866 13.6220 13.6220 13.8914 13.8914 15.5152 15.5152 k = 0.0000 0.3158-0.0000 ( 3960 PWs) bands (ev): -77.3096 -77.3096 -46.1421 -46.1421 -41.6809 -41.6809 -41.6790 -41.6790 -22.5064 -22.5064 -16.4679 -16.4679 -16.2043 -16.2043 -16.1936 -16.1936 -6.1552 -6.1552 -5.8978 -5.8978 -5.8797 -5.8797 0.2793 0.2793 1.3099 1.3099 1.3559 1.3559 2.2232 2.2232 2.2732 2.2732 2.2762 2.2762 2.6466 2.6466 2.7455 2.7455 2.7790 2.7790 4.6977 4.6977 5.2862 5.2862 5.4375 5.4375 5.6294 5.6294 6.7411 6.7411 10.9935 10.9935 13.5934 13.5934 13.9206 13.9206 15.5043 15.5043 k = 0.0000 0.3289-0.0000 ( 3944 PWs) bands (ev): -77.3096 -77.3096 -46.1421 -46.1421 -41.6810 -41.6810 -41.6790 -41.6790 -22.5060 -22.5060 -16.4647 -16.4647 -16.2041 -16.2041 -16.1925 -16.1925 -6.1549 -6.1549 -5.8979 -5.8979 -5.8789 -5.8789 0.2323 0.2323 1.3152 1.3152 1.3608 1.3608 2.1984 2.1984 2.2521 2.2521 2.2560 2.2560 2.6411 2.6411 2.7433 2.7433 2.7767 2.7767 4.6996 4.6996 5.3160 5.3160 5.4525 5.4525 5.6428 5.6428 6.7853 6.7853 11.1024 11.1024 13.5575 13.5575 13.9490 13.9490 15.4939 15.4939 k = 0.0000 0.3421-0.0000 ( 3952 PWs) bands (ev): -77.3096 -77.3096 -46.1421 -46.1421 -41.6811 -41.6811 -41.6790 -41.6790 -22.5057 -22.5057 -16.4618 -16.4618 -16.2040 -16.2040 -16.1913 -16.1913 -6.1547 -6.1547 -5.8980 -5.8980 -5.8782 -5.8782 0.1880 0.1880 1.3204 1.3204 1.3655 1.3655 2.1746 2.1746 2.2292 2.2292 2.2400 2.2400 2.6359 2.6359 2.7411 2.7411 2.7745 2.7745 4.7011 4.7011 5.3440 5.3440 5.4648 5.4648 5.6573 5.6573 6.8265 6.8265 11.2128 11.2128 13.5143 13.5143 13.9763 13.9763 15.4840 15.4840 k = 0.0000 0.3553-0.0000 ( 3952 PWs) bands (ev): -77.3096 -77.3096 -46.1421 -46.1421 -41.6812 -41.6812 -41.6790 -41.6790 -22.5054 -22.5054 -16.4590 -16.4590 -16.2039 -16.2039 -16.1902 -16.1902 -6.1545 -6.1545 -5.8981 -5.8981 -5.8774 -5.8774 0.1463 0.1463 1.3255 1.3255 1.3702 1.3702 2.1522 2.1522 2.2074 2.2074 2.2252 2.2252 2.6310 2.6310 2.7391 2.7391 2.7724 2.7724 4.7026 4.7026 5.3702 5.3702 5.4749 5.4749 5.6725 5.6725 6.8645 6.8645 11.3246 11.3246 13.4641 13.4641 14.0023 14.0023 15.4746 15.4747 k = 0.0000 0.3684-0.0000 ( 3960 PWs) bands (ev): -77.3096 -77.3096 -46.1421 -46.1421 -41.6813 -41.6813 -41.6790 -41.6790 -22.5051 -22.5051 -16.4564 -16.4564 -16.2038 -16.2038 -16.1892 -16.1892 -6.1543 -6.1543 -5.8982 -5.8982 -5.8767 -5.8767 0.1076 0.1076 1.3306 1.3306 1.3748 1.3748 2.1311 2.1311 2.1870 2.1870 2.2117 2.2117 2.6263 2.6263 2.7372 2.7372 2.7705 2.7705 4.7039 4.7039 5.3946 5.3946 5.4829 5.4829 5.6879 5.6879 6.8993 6.8993 11.4373 11.4373 13.4070 13.4070 14.0268 14.0268 15.4659 15.4659 k = 0.0000 0.3816-0.0000 ( 3952 PWs) bands (ev): -77.3096 -77.3096 -46.1422 -46.1422 -41.6813 -41.6813 -41.6790 -41.6790 -22.5048 -22.5048 -16.4541 -16.4541 -16.2036 -16.2036 -16.1881 -16.1881 -6.1542 -6.1542 -5.8983 -5.8983 -5.8761 -5.8761 0.0721 0.0721 1.3355 1.3355 1.3792 1.3792 2.1116 2.1116 2.1682 2.1682 2.1995 2.1995 2.6220 2.6220 2.7354 2.7354 2.7687 2.7687 4.7051 4.7051 5.4170 5.4170 5.4893 5.4893 5.7032 5.7032 6.9311 6.9311 11.5507 11.5507 13.3436 13.3436 14.0497 14.0497 15.4579 15.4579 k = 0.0000 0.3947-0.0000 ( 3948 PWs) bands (ev): -77.3096 -77.3096 -46.1422 -46.1422 -41.6814 -41.6814 -41.6790 -41.6790 -22.5045 -22.5045 -16.4520 -16.4520 -16.2035 -16.2035 -16.1871 -16.1871 -6.1540 -6.1540 -5.8983 -5.8983 -5.8755 -5.8755 0.0400 0.0400 1.3402 1.3402 1.3835 1.3835 2.0937 2.0937 2.1510 2.1510 2.1886 2.1886 2.6181 2.6181 2.7338 2.7338 2.7671 2.7671 4.7062 4.7062 5.4373 5.4373 5.4945 5.4945 5.7178 5.7178 6.9595 6.9595 11.6644 11.6644 13.2741 13.2741 14.0707 14.0707 15.4505 15.4505 k = 0.0000 0.4079-0.0000 ( 3952 PWs) bands (ev): -77.3096 -77.3096 -46.1422 -46.1422 -41.6815 -41.6815 -41.6790 -41.6790 -22.5043 -22.5043 -16.4501 -16.4501 -16.2034 -16.2034 -16.1862 -16.1862 -6.1539 -6.1539 -5.8984 -5.8984 -5.8750 -5.8750 0.0112 0.0112 1.3446 1.3446 1.3874 1.3874 2.0776 2.0776 2.1354 2.1354 2.1788 2.1788 2.6146 2.6146 2.7324 2.7324 2.7657 2.7657 4.7071 4.7071 5.4555 5.4555 5.4985 5.4985 5.7314 5.7314 6.9846 6.9846 11.7782 11.7782 13.1989 13.1989 14.0896 14.0896 15.4440 15.4440 k = 0.0000 0.4211-0.0000 ( 3952 PWs) bands (ev): -77.3096 -77.3096 -46.1422 -46.1422 -41.6815 -41.6815 -41.6790 -41.6790 -22.5041 -22.5041 -16.4485 -16.4485 -16.2034 -16.2034 -16.1854 -16.1854 -6.1538 -6.1538 -5.8985 -5.8985 -5.8745 -5.8745 -0.0139 -0.0139 1.3486 1.3486 1.3910 1.3910 2.0633 2.0633 2.1217 2.1217 2.1704 2.1704 2.6115 2.6115 2.7312 2.7312 2.7644 2.7644 4.7079 4.7079 5.4714 5.4714 5.5017 5.5017 5.7436 5.7436 7.0064 7.0064 11.8918 11.8918 13.1186 13.1186 14.1064 14.1064 15.4382 15.4382 k = 0.0000 0.4342-0.0000 ( 3948 PWs) bands (ev): -77.3096 -77.3096 -46.1422 -46.1422 -41.6816 -41.6816 -41.6790 -41.6790 -22.5039 -22.5039 -16.4471 -16.4471 -16.2033 -16.2033 -16.1847 -16.1847 -6.1537 -6.1537 -5.8985 -5.8985 -5.8741 -5.8741 -0.0354 -0.0354 1.3521 1.3521 1.3942 1.3942 2.0511 2.0511 2.1099 2.1099 2.1632 2.1632 2.6089 2.6089 2.7301 2.7301 2.7633 2.7633 4.7085 4.7085 5.4849 5.4849 5.5042 5.5042 5.7543 5.7543 7.0250 7.0250 12.0047 12.0047 13.0335 13.0335 14.1208 14.1208 15.4333 15.4333 k = 0.0000 0.4474-0.0000 ( 3956 PWs) bands (ev): -77.3096 -77.3096 -46.1422 -46.1422 -41.6816 -41.6816 -41.6790 -41.6790 -22.5037 -22.5037 -16.4459 -16.4459 -16.2032 -16.2032 -16.1841 -16.1841 -6.1536 -6.1536 -5.8985 -5.8985 -5.8738 -5.8738 -0.0531 -0.0531 1.3551 1.3551 1.3969 1.3969 2.0408 2.0408 2.1000 2.1000 2.1573 2.1573 2.6067 2.6067 2.7292 2.7292 2.7624 2.7624 4.7091 4.7091 5.4961 5.4961 5.5061 5.5061 5.7632 5.7632 7.0401 7.0401 12.1168 12.1168 12.9441 12.9441 14.1328 14.1328 15.4292 15.4292 k = 0.0000 0.4605-0.0000 ( 3964 PWs) bands (ev): -77.3096 -77.3096 -46.1422 -46.1422 -41.6816 -41.6816 -41.6790 -41.6790 -22.5036 -22.5036 -16.4450 -16.4450 -16.2032 -16.2032 -16.1836 -16.1836 -6.1535 -6.1535 -5.8986 -5.8986 -5.8736 -5.8736 -0.0670 -0.0670 1.3575 1.3575 1.3990 1.3990 2.0328 2.0328 2.0923 2.0923 2.1528 2.1528 2.6049 2.6049 2.7285 2.7285 2.7617 2.7617 4.7095 4.7095 5.5048 5.5048 5.5075 5.5075 5.7704 5.7704 7.0518 7.0518 12.2276 12.2276 12.8507 12.8507 14.1423 14.1423 15.4260 15.4260 k = 0.0000 0.4737-0.0000 ( 3956 PWs) bands (ev): -77.3096 -77.3096 -46.1422 -46.1422 -41.6817 -41.6817 -41.6790 -41.6790 -22.5035 -22.5035 -16.4444 -16.4444 -16.2032 -16.2032 -16.1832 -16.1832 -6.1535 -6.1535 -5.8986 -5.8986 -5.8734 -5.8734 -0.0769 -0.0769 1.3593 1.3593 1.4006 1.4006 2.0270 2.0270 2.0868 2.0868 2.1495 2.1495 2.6036 2.6036 2.7281 2.7281 2.7613 2.7613 4.7098 4.7098 5.5086 5.5086 5.5111 5.5111 5.7755 5.7755 7.0603 7.0603 12.3369 12.3369 12.7539 12.7539 14.1491 14.1491 15.4237 15.4237 k = 0.0000 0.4868-0.0000 ( 3956 PWs) bands (ev): -77.3096 -77.3096 -46.1422 -46.1422 -41.6817 -41.6817 -41.6790 -41.6790 -22.5035 -22.5035 -16.4440 -16.4440 -16.2031 -16.2031 -16.1830 -16.1830 -6.1534 -6.1534 -5.8986 -5.8986 -5.8733 -5.8733 -0.0829 -0.0829 1.3604 1.3604 1.4016 1.4016 2.0235 2.0235 2.0834 2.0834 2.1475 2.1475 2.6029 2.6029 2.7278 2.7278 2.7610 2.7610 4.7100 4.7100 5.5091 5.5091 5.5148 5.5148 5.7787 5.7787 7.0653 7.0653 12.4440 12.4440 12.6543 12.6543 14.1532 14.1532 15.4223 15.4223 k = 0.0000 0.5000-0.0000 ( 3948 PWs) bands (ev): -77.3096 -77.3096 -46.1422 -46.1422 -41.6817 -41.6817 -41.6790 -41.6790 -22.5035 -22.5035 -16.4438 -16.4438 -16.2031 -16.2031 -16.1830 -16.1830 -6.1534 -6.1534 -5.8986 -5.8986 -5.8732 -5.8732 -0.0848 -0.0848 1.3608 1.3608 1.4019 1.4019 2.0224 2.0224 2.0823 2.0823 2.1470 2.1470 2.6026 2.6026 2.7277 2.7277 2.7609 2.7609 4.7101 4.7101 5.5094 5.5094 5.5162 5.5162 5.7798 5.7798 7.0670 7.0670 12.5361 12.5361 12.5647 12.5647 14.1545 14.1545 15.4218 15.4218 k = 0.0000 0.5000-0.0000 ( 3948 PWs) bands (ev): -77.3096 -77.3096 -46.1422 -46.1422 -41.6817 -41.6817 -41.6790 -41.6790 -22.5035 -22.5035 -16.4438 -16.4438 -16.2031 -16.2031 -16.1830 -16.1830 -6.1534 -6.1534 -5.8986 -5.8986 -5.8732 -5.8732 -0.0848 -0.0848 1.3608 1.3608 1.4019 1.4019 2.0224 2.0224 2.0823 2.0823 2.1470 2.1470 2.6026 2.6026 2.7277 2.7277 2.7609 2.7609 4.7101 4.7101 5.5094 5.5094 5.5162 5.5162 5.7798 5.7798 7.0670 7.0670 12.5361 12.5361 12.5647 12.5647 14.1545 14.1545 15.4218 15.4218 k = 0.0132 0.5000-0.0000 ( 3952 PWs) bands (ev): -77.3096 -77.3096 -46.1422 -46.1422 -41.6817 -41.6817 -41.6790 -41.6790 -22.5035 -22.5035 -16.4436 -16.4436 -16.2031 -16.2031 -16.1830 -16.1830 -6.1535 -6.1535 -5.8986 -5.8986 -5.8733 -5.8733 -0.0849 -0.0849 1.3593 1.3593 1.4006 1.4006 2.0158 2.0158 2.0739 2.0739 2.1600 2.1600 2.6043 2.6043 2.7263 2.7263 2.7593 2.7593 4.7121 4.7121 5.5120 5.5120 5.5166 5.5166 5.7806 5.7806 7.0689 7.0689 12.5379 12.5379 12.5656 12.5656 14.1558 14.1558 15.4216 15.4216 k = 0.0263 0.5000-0.0000 ( 3956 PWs) bands (ev): -77.3096 -77.3096 -46.1422 -46.1422 -41.6817 -41.6817 -41.6790 -41.6790 -22.5034 -22.5034 -16.4430 -16.4430 -16.2031 -16.2031 -16.1830 -16.1830 -6.1536 -6.1536 -5.8988 -5.8988 -5.8734 -5.8734 -0.0849 -0.0849 1.3542 1.3542 1.3974 1.3974 1.9950 1.9950 2.0630 2.0630 2.1859 2.1859 2.6094 2.6094 2.7223 2.7223 2.7545 2.7545 4.7180 4.7180 5.5167 5.5167 5.5207 5.5207 5.7828 5.7828 7.0745 7.0745 12.5432 12.5432 12.5682 12.5682 14.1597 14.1597 15.4204 15.4204 k = 0.0395 0.5000-0.0000 ( 3960 PWs) bands (ev): -77.3096 -77.3096 -46.1423 -46.1423 -41.6817 -41.6817 -41.6790 -41.6790 -22.5034 -22.5034 -16.4419 -16.4419 -16.2030 -16.2030 -16.1830 -16.1830 -6.1539 -6.1539 -5.8991 -5.8991 -5.8736 -5.8736 -0.0850 -0.0850 1.3438 1.3438 1.3939 1.3939 1.9633 1.9633 2.0570 2.0570 2.2141 2.2141 2.6179 2.6179 2.7156 2.7156 2.7468 2.7468 4.7277 4.7277 5.5182 5.5182 5.5336 5.5336 5.7868 5.7868 7.0839 7.0839 12.5522 12.5522 12.5726 12.5726 14.1662 14.1662 15.4176 15.4176 k = 0.0526 0.5000-0.0000 ( 3956 PWs) bands (ev): -77.3096 -77.3096 -46.1423 -46.1423 -41.6817 -41.6817 -41.6790 -41.6790 -22.5033 -22.5033 -16.4404 -16.4404 -16.2029 -16.2029 -16.1831 -16.1831 -6.1542 -6.1542 -5.8995 -5.8995 -5.8739 -5.8739 -0.0851 -0.0851 1.3268 1.3268 1.3919 1.3919 1.9263 1.9263 2.0536 2.0536 2.2412 2.2412 2.6298 2.6298 2.7066 2.7066 2.7365 2.7365 4.7411 4.7411 5.5199 5.5199 5.5511 5.5511 5.7925 5.7925 7.0972 7.0972 12.5647 12.5647 12.5787 12.5787 14.1753 14.1753 15.4124 15.4124 k = 0.0658 0.5000-0.0000 ( 3956 PWs) bands (ev): -77.3096 -77.3096 -46.1423 -46.1423 -41.6817 -41.6817 -41.6791 -41.6791 -22.5032 -22.5032 -16.4385 -16.4385 -16.2027 -16.2027 -16.1831 -16.1831 -6.1546 -6.1546 -5.9000 -5.9000 -5.8743 -5.8743 -0.0853 -0.0853 1.3030 1.3030 1.3913 1.3913 1.8867 1.8867 2.0510 2.0510 2.2664 2.2664 2.6449 2.6449 2.6954 2.6954 2.7240 2.7240 4.7578 4.7578 5.5221 5.5221 5.5721 5.5721 5.8003 5.8003 7.1144 7.1144 12.5806 12.5806 12.5868 12.5868 14.1868 14.1868 15.4047 15.4047 k = 0.0789 0.5000-0.0000 ( 3956 PWs) bands (ev): -77.3096 -77.3096 -46.1423 -46.1423 -41.6817 -41.6817 -41.6791 -41.6791 -22.5030 -22.5030 -16.4362 -16.4362 -16.2026 -16.2026 -16.1832 -16.1832 -6.1551 -6.1551 -5.9006 -5.9006 -5.8747 -5.8747 -0.0854 -0.0854 1.2730 1.2730 1.3920 1.3920 1.8458 1.8458 2.0487 2.0487 2.2892 2.2892 2.6624 2.6624 2.6822 2.6822 2.7101 2.7101 4.7777 4.7777 5.5247 5.5247 5.5957 5.5957 5.8102 5.8102 7.1357 7.1357 12.5958 12.5958 12.6009 12.6009 14.2009 14.2009 15.3948 15.3948 k = 0.0921 0.5000-0.0000 ( 3956 PWs) bands (ev): -77.3096 -77.3096 -46.1423 -46.1423 -41.6817 -41.6817 -41.6791 -41.6791 -22.5029 -22.5029 -16.4335 -16.4335 -16.2024 -16.2024 -16.1833 -16.1833 -6.1558 -6.1558 -5.9014 -5.9014 -5.8751 -5.8751 -0.0856 -0.0856 1.2375 1.2375 1.3936 1.3936 1.8042 1.8042 2.0464 2.0464 2.3096 2.3096 2.6645 2.6645 2.6834 2.6834 2.6968 2.6968 4.8003 4.8003 5.5276 5.5276 5.6208 5.6208 5.8227 5.8227 7.1611 7.1611 12.6074 12.6074 12.6237 12.6237 14.2174 14.2174 15.3828 15.3828 k = 0.1053 0.5000-0.0000 ( 3952 PWs) bands (ev): -77.3096 -77.3096 -46.1423 -46.1423 -41.6817 -41.6817 -41.6792 -41.6792 -22.5027 -22.5027 -16.4305 -16.4305 -16.2021 -16.2021 -16.1834 -16.1834 -6.1564 -6.1564 -5.9023 -5.9023 -5.8755 -5.8755 -0.0858 -0.0858 1.1970 1.1970 1.3958 1.3958 1.7623 1.7623 2.0439 2.0439 2.3276 2.3276 2.6465 2.6465 2.6785 2.6785 2.7094 2.7094 4.8254 4.8254 5.5308 5.5308 5.6462 5.6462 5.8380 5.8380 7.1908 7.1908 12.6207 12.6207 12.6502 12.6502 14.2362 14.2362 15.3691 15.3691 k = 0.1184 0.5000-0.0000 ( 3956 PWs) bands (ev): -77.3096 -77.3096 -46.1423 -46.1423 -41.6818 -41.6818 -41.6792 -41.6792 -22.5025 -22.5025 -16.4271 -16.4271 -16.2019 -16.2019 -16.1835 -16.1835 -6.1572 -6.1572 -5.9034 -5.9034 -5.8760 -5.8760 -0.0861 -0.0861 1.1521 1.1521 1.3986 1.3986 1.7204 1.7204 2.0413 2.0413 2.3434 2.3434 2.6256 2.6256 2.6644 2.6644 2.7339 2.7339 4.8526 4.8526 5.5343 5.5343 5.6709 5.6709 5.8561 5.8561 7.2247 7.2247 12.6357 12.6357 12.6802 12.6802 14.2573 14.2573 15.3536 15.3536 k = 0.1316 0.5000-0.0000 ( 3952 PWs) bands (ev): -77.3096 -77.3096 -46.1423 -46.1423 -41.6818 -41.6818 -41.6793 -41.6793 -22.5023 -22.5023 -16.4233 -16.4233 -16.2016 -16.2016 -16.1836 -16.1836 -6.1581 -6.1581 -5.9046 -5.9046 -5.8764 -5.8764 -0.0865 -0.0865 1.1032 1.1032 1.4019 1.4019 1.6788 1.6788 2.0385 2.0385 2.3575 2.3575 2.6025 2.6025 2.6506 2.6506 2.7603 2.7603 4.8818 4.8818 5.5379 5.5379 5.6944 5.6944 5.8771 5.8771 7.2628 7.2628 12.6525 12.6525 12.7135 12.7135 14.2807 14.2807 15.3366 15.3366 k = 0.1447 0.5000-0.0000 ( 3956 PWs) bands (ev): -77.3096 -77.3096 -46.1424 -46.1424 -41.6818 -41.6818 -41.6793 -41.6793 -22.5021 -22.5021 -16.4193 -16.4193 -16.2013 -16.2013 -16.1837 -16.1837 -6.1590 -6.1590 -5.9060 -5.9060 -5.8768 -5.8768 -0.0868 -0.0868 1.0510 1.0510 1.4057 1.4057 1.6376 1.6376 2.0356 2.0356 2.3701 2.3701 2.5776 2.5776 2.6376 2.6376 2.7877 2.7877 4.9124 4.9124 5.5417 5.5417 5.7162 5.7162 5.9003 5.9003 7.3052 7.3052 12.6710 12.6710 12.7501 12.7501 14.3060 14.3060 15.3181 15.3181 k = 0.1579 0.5000-0.0000 ( 3966 PWs) bands (ev): -77.3096 -77.3096 -46.1424 -46.1424 -41.6818 -41.6818 -41.6794 -41.6794 -22.5018 -22.5018 -16.4151 -16.4151 -16.2010 -16.2010 -16.1838 -16.1838 -6.1600 -6.1600 -5.9075 -5.9075 -5.8772 -5.8772 -0.0873 -0.0873 0.9959 0.9959 1.4098 1.4098 1.5970 1.5970 2.0324 2.0324 2.3814 2.3814 2.5512 2.5512 2.6254 2.6254 2.8154 2.8154 4.9441 4.9441 5.5456 5.5456 5.7365 5.7365 5.9252 5.9252 7.3514 7.3514 12.6913 12.6913 12.7899 12.7899 14.3334 14.3334 15.2983 15.2983 k = 0.1711 0.5000-0.0000 ( 3966 PWs) bands (ev): -77.3096 -77.3096 -46.1424 -46.1424 -41.6819 -41.6819 -41.6794 -41.6794 -22.5015 -22.5015 -16.4105 -16.4105 -16.2007 -16.2007 -16.1839 -16.1839 -6.1611 -6.1611 -5.9091 -5.9091 -5.8775 -5.8775 -0.0877 -0.0877 0.9385 0.9385 1.4143 1.4143 1.5571 1.5571 2.0291 2.0291 2.3916 2.3916 2.5236 2.5236 2.6140 2.6140 2.8434 2.8434 4.9769 4.9769 5.5496 5.5496 5.7557 5.7557 5.9510 5.9510 7.4014 7.4014 12.7134 12.7134 12.8329 12.8329 14.3626 14.3626 15.2773 15.2773 k = 0.1842 0.5000-0.0000 ( 3962 PWs) bands (ev): -77.3096 -77.3096 -46.1424 -46.1424 -41.6819 -41.6819 -41.6795 -41.6795 -22.5013 -22.5013 -16.4058 -16.4058 -16.2003 -16.2003 -16.1840 -16.1840 -6.1623 -6.1623 -5.9109 -5.9109 -5.8777 -5.8777 -0.0882 -0.0882 0.8794 0.8794 1.4192 1.4192 1.5181 1.5181 2.0257 2.0257 2.4011 2.4011 2.4953 2.4953 2.6036 2.6036 2.8711 2.8711 5.0103 5.0103 5.5536 5.5536 5.7740 5.7740 5.9768 5.9768 7.4547 7.4547 12.7372 12.7372 12.8790 12.8790 14.3934 14.3934 15.2552 15.2552 k = 0.1974 0.5000-0.0000 ( 3962 PWs) bands (ev): -77.3096 -77.3096 -46.1425 -46.1425 -41.6819 -41.6819 -41.6796 -41.6796 -22.5010 -22.5010 -16.4009 -16.4009 -16.2000 -16.2000 -16.1841 -16.1841 -6.1635 -6.1635 -5.9128 -5.9128 -5.8779 -5.8779 -0.0888 -0.0888 0.8191 0.8191 1.4240 1.4240 1.4804 1.4804 2.0222 2.0222 2.4098 2.4098 2.4663 2.4663 2.5941 2.5941 2.8983 2.8983 5.0441 5.0441 5.5576 5.5576 5.7918 5.7918 6.0021 6.0021 7.5111 7.5111 12.7628 12.7628 12.9281 12.9281 14.4257 14.4257 15.2321 15.2321 k = 0.2105 0.5000-0.0000 ( 3954 PWs) bands (ev): -77.3096 -77.3096 -46.1425 -46.1425 -41.6820 -41.6820 -41.6796 -41.6796 -22.5007 -22.5007 -16.3959 -16.3959 -16.1996 -16.1996 -16.1842 -16.1842 -6.1647 -6.1647 -5.9148 -5.9148 -5.8781 -5.8781 -0.0894 -0.0894 0.7582 0.7582 1.4262 1.4262 1.4469 1.4469 2.0186 2.0186 2.4173 2.4173 2.4375 2.4375 2.5855 2.5855 2.9248 2.9248 5.0780 5.0780 5.5617 5.5617 5.8094 5.8094 6.0263 6.0263 7.5699 7.5699 12.7900 12.7900 12.9802 12.9802 14.4592 14.4592 15.2082 15.2082 k = 0.2237 0.5000-0.0000 ( 3956 PWs) bands (ev): -77.3096 -77.3096 -46.1425 -46.1425 -41.6820 -41.6820 -41.6797 -41.6797 -22.5004 -22.5004 -16.3907 -16.3907 -16.1992 -16.1992 -16.1843 -16.1843 -6.1660 -6.1660 -5.9169 -5.9169 -5.8782 -5.8782 -0.0902 -0.0902 0.6971 0.6971 1.4030 1.4030 1.4402 1.4402 2.0149 2.0149 2.4055 2.4055 2.4273 2.4273 2.5777 2.5777 2.9504 2.9504 5.1118 5.1118 5.5658 5.5658 5.8268 5.8268 6.0491 6.0491 7.6306 7.6306 12.8188 12.8188 13.0350 13.0350 14.4936 14.4936 15.1835 15.1835 k = 0.2368 0.5000-0.0000 ( 3948 PWs) bands (ev): -77.3096 -77.3096 -46.1425 -46.1425 -41.6821 -41.6821 -41.6797 -41.6797 -22.5001 -22.5001 -16.3855 -16.3855 -16.1989 -16.1989 -16.1843 -16.1843 -6.1673 -6.1673 -5.9190 -5.9190 -5.8782 -5.8782 -0.0910 -0.0910 0.6363 0.6363 1.3692 1.3692 1.4456 1.4456 2.0111 2.0111 2.3762 2.3762 2.4340 2.4340 2.5708 2.5708 2.9751 2.9751 5.1452 5.1452 5.5699 5.5699 5.8443 5.8443 6.0705 6.0705 7.6927 7.6927 12.8492 12.8492 13.0925 13.0925 14.5288 14.5288 15.1581 15.1581 k = 0.2500 0.5000-0.0000 ( 3948 PWs) bands (ev): -77.3096 -77.3096 -46.1426 -46.1426 -41.6821 -41.6821 -41.6798 -41.6798 -22.4998 -22.4998 -16.3803 -16.3803 -16.1985 -16.1985 -16.1843 -16.1843 -6.1686 -6.1686 -5.9211 -5.9211 -5.8782 -5.8782 -0.0920 -0.0920 0.5762 0.5762 1.3358 1.3358 1.4523 1.4523 2.0073 2.0073 2.3464 2.3464 2.4409 2.4409 2.5645 2.5645 2.9986 2.9986 5.1780 5.1780 5.5741 5.5741 5.8617 5.8617 6.0902 6.0902 7.7555 7.7555 12.8810 12.8810 13.1527 13.1527 14.5644 14.5644 15.1322 15.1322 k = 0.2632 0.5000-0.0000 ( 3952 PWs) bands (ev): -77.3096 -77.3096 -46.1426 -46.1426 -41.6822 -41.6822 -41.6798 -41.6798 -22.4995 -22.4995 -16.3750 -16.3750 -16.1982 -16.1982 -16.1843 -16.1843 -6.1700 -6.1700 -5.9233 -5.9233 -5.8782 -5.8782 -0.0932 -0.0932 0.5172 0.5172 1.3035 1.3035 1.4596 1.4596 2.0035 2.0035 2.3167 2.3167 2.4474 2.4474 2.5590 2.5590 3.0209 3.0209 5.2099 5.2099 5.5783 5.5783 5.8792 5.8792 6.1083 6.1083 7.8184 7.8184 12.9142 12.9142 13.2153 13.2153 14.6000 14.6000 15.1058 15.1058 k = 0.2763 0.5000-0.0000 ( 3952 PWs) bands (ev): -77.3096 -77.3096 -46.1426 -46.1426 -41.6822 -41.6822 -41.6799 -41.6799 -22.4992 -22.4992 -16.3698 -16.3698 -16.1978 -16.1978 -16.1843 -16.1843 -6.1713 -6.1713 -5.9255 -5.9255 -5.8781 -5.8781 -0.0946 -0.0946 0.4600 0.4600 1.2726 1.2726 1.4673 1.4673 1.9997 1.9997 2.2872 2.2872 2.4537 2.4537 2.5542 2.5542 3.0420 3.0420 5.2406 5.2406 5.5826 5.5826 5.8966 5.8966 6.1248 6.1248 7.8810 7.8810 12.9486 12.9486 13.2802 13.2802 14.6352 14.6352 15.0792 15.0792 k = 0.2895 0.5000-0.0000 ( 3952 PWs) bands (ev): -77.3096 -77.3096 -46.1426 -46.1426 -41.6823 -41.6823 -41.6799 -41.6799 -22.4989 -22.4989 -16.3647 -16.3647 -16.1975 -16.1975 -16.1842 -16.1842 -6.1727 -6.1727 -5.9277 -5.9277 -5.8780 -5.8780 -0.0962 -0.0962 0.4046 0.4046 1.2431 1.2431 1.4754 1.4754 1.9960 1.9960 2.2582 2.2582 2.4596 2.4596 2.5499 2.5499 3.0619 3.0619 5.2702 5.2702 5.5871 5.5871 5.9139 5.9139 6.1398 6.1398 7.9426 7.9426 12.9840 12.9840 13.3472 13.3472 14.6695 14.6695 15.0523 15.0523 k = 0.3026 0.5000-0.0000 ( 3950 PWs) bands (ev): -77.3096 -77.3096 -46.1427 -46.1427 -41.6823 -41.6823 -41.6800 -41.6800 -22.4986 -22.4986 -16.3597 -16.3597 -16.1973 -16.1973 -16.1841 -16.1841 -6.1740 -6.1740 -5.9298 -5.9298 -5.8779 -5.8779 -0.0981 -0.0981 0.3516 0.3516 1.2150 1.2150 1.4839 1.4839 1.9923 1.9923 2.2298 2.2298 2.4651 2.4651 2.5463 2.5463 3.0804 3.0804 5.2983 5.2983 5.5918 5.5918 5.9310 5.9310 6.1534 6.1534 8.0028 8.0028 13.0202 13.0202 13.4163 13.4163 14.7025 14.7025 15.0253 15.0253 k = 0.3158 0.5000-0.0000 ( 3954 PWs) bands (ev): -77.3096 -77.3096 -46.1427 -46.1427 -41.6824 -41.6824 -41.6800 -41.6800 -22.4983 -22.4983 -16.3549 -16.3549 -16.1970 -16.1970 -16.1840 -16.1840 -6.1753 -6.1753 -5.9319 -5.9319 -5.8778 -5.8778 -0.1003 -0.1003 0.3013 0.3013 1.1886 1.1886 1.4926 1.4926 1.9888 1.9888 2.2020 2.2020 2.4702 2.4702 2.5432 2.5432 3.0976 3.0976 5.3247 5.3247 5.5967 5.5967 5.9477 5.9477 6.1657 6.1657 8.0610 8.0610 13.0570 13.0570 13.4871 13.4871 14.7335 14.7335 14.9984 14.9984 k = 0.3289 0.5000-0.0000 ( 3954 PWs) bands (ev): -77.3096 -77.3096 -46.1427 -46.1427 -41.6824 -41.6824 -41.6800 -41.6800 -22.4981 -22.4981 -16.3502 -16.3502 -16.1968 -16.1968 -16.1838 -16.1838 -6.1766 -6.1766 -5.9339 -5.9339 -5.8776 -5.8776 -0.1031 -0.1031 0.2541 0.2541 1.1637 1.1637 1.5015 1.5015 1.9853 1.9853 2.1750 2.1750 2.4750 2.4750 2.5407 2.5407 3.1135 3.1135 5.3492 5.3492 5.6019 5.6019 5.9640 5.9640 6.1767 6.1767 8.1168 8.1168 13.0942 13.0942 13.5594 13.5594 14.7618 14.7618 14.9718 14.9718 k = 0.3421 0.5000-0.0000 ( 3952 PWs) bands (ev): -77.3096 -77.3096 -46.1427 -46.1427 -41.6825 -41.6825 -41.6801 -41.6801 -22.4978 -22.4978 -16.3457 -16.3457 -16.1966 -16.1966 -16.1836 -16.1836 -6.1778 -6.1778 -5.9358 -5.9358 -5.8774 -5.8774 -0.1064 -0.1064 0.2102 0.2102 1.1406 1.1406 1.5107 1.5107 1.9819 1.9819 2.1489 2.1489 2.4793 2.4793 2.5387 2.5387 3.1282 3.1282 5.3717 5.3717 5.6075 5.6075 5.9797 5.9797 6.1867 6.1867 8.1699 8.1699 13.1314 13.1314 13.6331 13.6331 14.7869 14.7869 14.9457 14.9457 k = 0.3553 0.5000-0.0000 ( 3952 PWs) bands (ev): -77.3096 -77.3096 -46.1427 -46.1427 -41.6826 -41.6826 -41.6801 -41.6801 -22.4975 -22.4975 -16.3415 -16.3415 -16.1965 -16.1965 -16.1834 -16.1834 -6.1790 -6.1790 -5.9376 -5.9376 -5.8772 -5.8772 -0.1104 -0.1104 0.1701 0.1701 1.1191 1.1191 1.5201 1.5201 1.9787 1.9787 2.1239 2.1239 2.4832 2.4832 2.5370 2.5370 3.1415 3.1415 5.3921 5.3921 5.6136 5.6136 5.9947 5.9947 6.1955 6.1955 8.2197 8.2197 13.1682 13.1682 13.7077 13.7077 14.8076 14.8076 14.9205 14.9205 k = 0.3684 0.5000-0.0000 ( 3960 PWs) bands (ev): -77.3096 -77.3096 -46.1428 -46.1428 -41.6826 -41.6826 -41.6801 -41.6801 -22.4973 -22.4973 -16.3376 -16.3376 -16.1963 -16.1963 -16.1831 -16.1831 -6.1801 -6.1801 -5.9393 -5.9393 -5.8771 -5.8771 -0.1152 -0.1152 0.1340 0.1340 1.0993 1.0993 1.5294 1.5294 1.9756 1.9756 2.1000 2.1000 2.4865 2.4865 2.5359 2.5359 3.1535 3.1535 5.4101 5.4101 5.6198 5.6198 6.0088 6.0088 6.2034 6.2034 8.2662 8.2662 13.2044 13.2044 13.7830 13.7830 14.8229 14.8229 14.8970 14.8970 k = 0.3816 0.5000-0.0000 ( 3956 PWs) bands (ev): -77.3096 -77.3096 -46.1428 -46.1428 -41.6827 -41.6827 -41.6801 -41.6801 -22.4971 -22.4971 -16.3339 -16.3339 -16.1962 -16.1962 -16.1829 -16.1829 -6.1811 -6.1811 -5.9409 -5.9409 -5.8769 -5.8769 -0.1211 -0.1211 0.1024 0.1024 1.0814 1.0814 1.5388 1.5388 1.9726 1.9726 2.0776 2.0776 2.4894 2.4894 2.5352 2.5352 3.1644 3.1644 5.4259 5.4259 5.6263 5.6263 6.0221 6.0221 6.2103 6.2103 8.3090 8.3090 13.2393 13.2393 13.8585 13.8585 14.8302 14.8302 14.8772 14.8772 k = 0.3947 0.5000-0.0000 ( 3948 PWs) bands (ev): -77.3095 -77.3095 -46.1428 -46.1428 -41.6827 -41.6827 -41.6801 -41.6801 -22.4969 -22.4969 -16.3306 -16.3306 -16.1962 -16.1962 -16.1826 -16.1826 -6.1821 -6.1821 -5.9424 -5.9424 -5.8767 -5.8767 -0.1279 -0.1279 0.0753 0.0753 1.0652 1.0652 1.5480 1.5480 1.9698 1.9698 2.0568 2.0568 2.4919 2.4919 2.5348 2.5348 3.1740 3.1740 5.4396 5.4396 5.6330 5.6330 6.0343 6.0343 6.2165 6.2165 8.3479 8.3479 13.2727 13.2727 13.9336 13.9336 14.8255 14.8255 14.8649 14.8649 k = 0.4079 0.5000-0.0000 ( 3956 PWs) bands (ev): -77.3096 -77.3096 -46.1428 -46.1428 -41.6828 -41.6828 -41.6802 -41.6802 -22.4967 -22.4967 -16.3276 -16.3276 -16.1961 -16.1961 -16.1823 -16.1823 -6.1829 -6.1829 -5.9437 -5.9437 -5.8766 -5.8766 -0.1357 -0.1357 0.0527 0.0527 1.0509 1.0509 1.5569 1.5569 1.9669 1.9669 2.0378 2.0378 2.4938 2.4938 2.5347 2.5347 3.1824 3.1824 5.4510 5.4510 5.6395 5.6395 6.0453 6.0453 6.2218 6.2218 8.3825 8.3825 13.3039 13.3039 14.0078 14.0078 14.8105 14.8105 14.8583 14.8583 k = 0.4211 0.5000-0.0000 ( 3958 PWs) bands (ev): -77.3096 -77.3096 -46.1428 -46.1428 -41.6828 -41.6828 -41.6802 -41.6802 -22.4966 -22.4966 -16.3250 -16.3250 -16.1961 -16.1961 -16.1821 -16.1821 -6.1837 -6.1837 -5.9448 -5.9448 -5.8764 -5.8764 -0.1440 -0.1440 0.0346 0.0346 1.0385 1.0385 1.5653 1.5653 1.9641 1.9641 2.0210 2.0210 2.4953 2.4953 2.5349 2.5349 3.1896 3.1896 5.4604 5.4604 5.6458 5.6458 6.0550 6.0550 6.2262 6.2262 8.4130 8.4130 13.3325 13.3325 14.0803 14.0803 14.7922 14.7922 14.8504 14.8504 k = 0.4342 0.5000-0.0000 ( 3954 PWs) bands (ev): -77.3096 -77.3096 -46.1428 -46.1428 -41.6828 -41.6828 -41.6802 -41.6802 -22.4964 -22.4964 -16.3228 -16.3228 -16.1960 -16.1960 -16.1819 -16.1819 -6.1843 -6.1843 -5.9458 -5.9458 -5.8763 -5.8763 -0.1526 -0.1526 0.0207 0.0207 1.0279 1.0279 1.5730 1.5730 1.9611 1.9611 2.0066 2.0066 2.4965 2.4965 2.5352 2.5352 3.1957 3.1957 5.4681 5.4681 5.6516 5.6516 6.0634 6.0634 6.2301 6.2301 8.4389 8.4389 13.3578 13.3578 14.1498 14.1498 14.7740 14.7740 14.8387 14.8387 k = 0.4474 0.5000-0.0000 ( 3950 PWs) bands (ev): -77.3095 -77.3095 -46.1428 -46.1428 -41.6829 -41.6829 -41.6802 -41.6802 -22.4963 -22.4963 -16.3209 -16.3209 -16.1960 -16.1960 -16.1817 -16.1817 -6.1849 -6.1849 -5.9466 -5.9466 -5.8762 -5.8762 -0.1606 -0.1606 0.0102 0.0102 1.0192 1.0192 1.5798 1.5798 1.9578 1.9578 1.9952 1.9952 2.4974 2.4974 2.5356 2.5356 3.2007 3.2007 5.4741 5.4741 5.6567 5.6567 6.0704 6.0704 6.2332 6.2332 8.4603 8.4603 13.3795 13.3795 14.2148 14.2148 14.7566 14.7566 14.8237 14.8237 k = 0.4605 0.5000-0.0000 ( 3946 PWs) bands (ev): -77.3095 -77.3095 -46.1429 -46.1429 -41.6829 -41.6829 -41.6802 -41.6802 -22.4962 -22.4962 -16.3195 -16.3195 -16.1960 -16.1960 -16.1815 -16.1815 -6.1853 -6.1853 -5.9472 -5.9472 -5.8761 -5.8761 -0.1677 -0.1677 0.0027 0.0027 1.0125 1.0125 1.5854 1.5854 1.9543 1.9543 1.9869 1.9869 2.4980 2.4980 2.5359 2.5359 3.2045 3.2045 5.4786 5.4786 5.6609 5.6609 6.0758 6.0758 6.2356 6.2356 8.4770 8.4770 13.3970 13.3970 14.2731 14.2731 14.7401 14.7401 14.8072 14.8072 k = 0.4737 0.5000-0.0000 ( 3942 PWs) bands (ev): -77.3095 -77.3095 -46.1429 -46.1429 -41.6829 -41.6829 -41.6802 -41.6802 -22.4962 -22.4962 -16.3184 -16.3184 -16.1960 -16.1960 -16.1814 -16.1814 -6.1856 -6.1856 -5.9477 -5.9477 -5.8761 -5.8761 -0.1731 -0.1731 -0.0023 -0.0023 1.0077 1.0077 1.5897 1.5897 1.9510 1.9510 1.9816 1.9816 2.4985 2.4985 2.5363 2.5363 3.2072 3.2072 5.4818 5.4818 5.6641 5.6641 6.0798 6.0798 6.2373 6.2373 8.4890 8.4890 13.4098 13.4098 14.3210 14.3210 14.7250 14.7250 14.7923 14.7923 k = 0.4868 0.5000-0.0000 ( 3932 PWs) bands (ev): -77.3095 -77.3095 -46.1429 -46.1429 -41.6829 -41.6829 -41.6802 -41.6802 -22.4961 -22.4961 -16.3178 -16.3178 -16.1960 -16.1960 -16.1813 -16.1813 -6.1858 -6.1858 -5.9480 -5.9480 -5.8760 -5.8760 -0.1764 -0.1764 -0.0051 -0.0051 1.0049 1.0049 1.5923 1.5923 1.9485 1.9485 1.9788 1.9788 2.4987 2.4987 2.5365 2.5365 3.2089 3.2089 5.4837 5.4837 5.6660 5.6660 6.0822 6.0822 6.2384 6.2384 8.4963 8.4963 13.4176 13.4176 14.3537 14.3537 14.7131 14.7131 14.7823 14.7823 k = 0.5000 0.5000-0.0000 ( 3932 PWs) bands (ev): -77.3095 -77.3095 -46.1429 -46.1429 -41.6829 -41.6829 -41.6802 -41.6802 -22.4961 -22.4961 -16.3176 -16.3176 -16.1960 -16.1960 -16.1813 -16.1813 -6.1858 -6.1858 -5.9481 -5.9481 -5.8760 -5.8760 -0.1776 -0.1776 -0.0060 -0.0060 1.0039 1.0039 1.5932 1.5932 1.9476 1.9476 1.9779 1.9779 2.4988 2.4988 2.5366 2.5366 3.2094 3.2094 5.4843 5.4843 5.6666 5.6666 6.0830 6.0830 6.2387 6.2387 8.4987 8.4987 13.4202 13.4202 14.3655 14.3655 14.7084 14.7084 14.7787 14.7787 k = 0.5000 0.5000-0.0000 ( 3932 PWs) bands (ev): -77.3095 -77.3095 -46.1429 -46.1429 -41.6829 -41.6829 -41.6802 -41.6802 -22.4961 -22.4961 -16.3176 -16.3176 -16.1960 -16.1960 -16.1813 -16.1813 -6.1858 -6.1858 -5.9481 -5.9481 -5.8760 -5.8760 -0.1776 -0.1776 -0.0060 -0.0060 1.0039 1.0039 1.5932 1.5932 1.9476 1.9476 1.9779 1.9779 2.4988 2.4988 2.5366 2.5366 3.2094 3.2094 5.4843 5.4843 5.6666 5.6666 6.0830 6.0830 6.2387 6.2387 8.4987 8.4987 13.4202 13.4202 14.3655 14.3655 14.7084 14.7084 14.7787 14.7787 k = 0.4906 0.4906-0.0000 ( 3932 PWs) bands (ev): -77.3095 -77.3095 -46.1429 -46.1429 -41.6829 -41.6829 -41.6802 -41.6802 -22.4961 -22.4961 -16.3178 -16.3178 -16.1960 -16.1960 -16.1813 -16.1813 -6.1858 -6.1858 -5.9480 -5.9480 -5.8760 -5.8760 -0.1764 -0.1764 -0.0051 -0.0051 1.0049 1.0049 1.5923 1.5923 1.9486 1.9486 1.9788 1.9788 2.4987 2.4987 2.5365 2.5365 3.2089 3.2089 5.4836 5.4836 5.6660 5.6660 6.0822 6.0822 6.2384 6.2384 8.4962 8.4962 13.4175 13.4175 14.3535 14.3535 14.7130 14.7130 14.7825 14.7825 k = 0.4811 0.4811-0.0000 ( 3938 PWs) bands (ev): -77.3095 -77.3095 -46.1429 -46.1429 -41.6829 -41.6829 -41.6802 -41.6802 -22.4962 -22.4962 -16.3185 -16.3185 -16.1960 -16.1960 -16.1814 -16.1814 -6.1856 -6.1856 -5.9477 -5.9477 -5.8761 -5.8761 -0.1728 -0.1728 -0.0022 -0.0022 1.0078 1.0078 1.5896 1.5896 1.9513 1.9513 1.9815 1.9815 2.4985 2.4985 2.5363 2.5363 3.2072 3.2072 5.4818 5.4818 5.6640 5.6640 6.0797 6.0797 6.2373 6.2373 8.4888 8.4888 13.4091 13.4091 14.3213 14.3213 14.7220 14.7220 14.7952 14.7952 k = 0.4717 0.4717-0.0000 ( 3948 PWs) bands (ev): -77.3095 -77.3095 -46.1429 -46.1429 -41.6829 -41.6829 -41.6802 -41.6802 -22.4962 -22.4962 -16.3195 -16.3195 -16.1960 -16.1960 -16.1815 -16.1815 -6.1853 -6.1853 -5.9472 -5.9472 -5.8761 -5.8761 -0.1669 -0.1669 0.0024 0.0024 1.0128 1.0128 1.5852 1.5852 1.9555 1.9555 1.9862 1.9862 2.4980 2.4980 2.5359 2.5359 3.2044 3.2044 5.4786 5.4786 5.6606 5.6606 6.0756 6.0756 6.2355 6.2355 8.4764 8.4764 13.3942 13.3942 14.2766 14.2766 14.7283 14.7283 14.8169 14.8169 k = 0.4623 0.4623-0.0000 ( 3954 PWs) bands (ev): -77.3096 -77.3096 -46.1429 -46.1429 -41.6829 -41.6829 -41.6802 -41.6802 -22.4963 -22.4963 -16.3210 -16.3210 -16.1960 -16.1960 -16.1817 -16.1817 -6.1848 -6.1848 -5.9466 -5.9466 -5.8762 -5.8762 -0.1585 -0.1585 0.0090 0.0090 1.0197 1.0197 1.5792 1.5792 1.9610 1.9610 1.9930 1.9930 2.4974 2.4974 2.5355 2.5355 3.2005 3.2005 5.4743 5.4743 5.6559 5.6559 6.0699 6.0699 6.2331 6.2331 8.4593 8.4593 13.3719 13.3719 14.2266 14.2266 14.7303 14.7303 14.8438 14.8438 k = 0.4528 0.4528-0.0000 ( 3954 PWs) bands (ev): -77.3096 -77.3096 -46.1428 -46.1428 -41.6828 -41.6828 -41.6802 -41.6802 -22.4965 -22.4965 -16.3229 -16.3229 -16.1960 -16.1960 -16.1819 -16.1819 -6.1843 -6.1843 -5.9457 -5.9457 -5.8763 -5.8763 -0.1479 -0.1479 0.0175 0.0175 1.0287 1.0287 1.5720 1.5720 1.9675 1.9675 2.0019 2.0019 2.4966 2.4966 2.5351 2.5351 3.1956 3.1956 5.4687 5.4687 5.6500 5.6500 6.0625 6.0625 6.2300 6.2300 8.4373 8.4373 13.3409 13.3409 14.1767 14.1767 14.7291 14.7291 14.8714 14.8714 k = 0.4434 0.4434-0.0000 ( 3962 PWs) bands (ev): -77.3096 -77.3096 -46.1428 -46.1428 -41.6828 -41.6828 -41.6802 -41.6802 -22.4966 -22.4966 -16.3252 -16.3252 -16.1961 -16.1961 -16.1822 -16.1822 -6.1836 -6.1836 -5.9447 -5.9447 -5.8765 -5.8765 -0.1349 -0.1349 0.0278 0.0278 1.0396 1.0396 1.5637 1.5637 1.9748 1.9748 2.0129 2.0129 2.4956 2.4956 2.5347 2.5347 3.1896 3.1896 5.4620 5.4620 5.6427 5.6427 6.0536 6.0536 6.2261 6.2261 8.4107 8.4107 13.2998 13.2998 14.1306 14.1306 14.7256 14.7256 14.8969 14.8969 k = 0.4340 0.4340-0.0000 ( 3966 PWs) bands (ev): -77.3096 -77.3096 -46.1428 -46.1428 -41.6827 -41.6827 -41.6802 -41.6802 -22.4968 -22.4968 -16.3279 -16.3279 -16.1961 -16.1961 -16.1825 -16.1825 -6.1829 -6.1829 -5.9436 -5.9436 -5.8766 -5.8766 -0.1197 -0.1197 0.0399 0.0399 1.0524 1.0524 1.5546 1.5546 1.9828 1.9828 2.0258 2.0258 2.4944 2.4944 2.5344 2.5344 3.1826 3.1826 5.4540 5.4540 5.6342 5.6342 6.0430 6.0430 6.2217 6.2217 8.3796 8.3796 13.2477 13.2477 14.0909 14.0909 14.7202 14.7202 14.9193 14.9193 k = 0.4245 0.4245-0.0000 ( 3962 PWs) bands (ev): -77.3096 -77.3096 -46.1428 -46.1428 -41.6827 -41.6827 -41.6802 -41.6802 -22.4969 -22.4969 -16.3309 -16.3309 -16.1962 -16.1962 -16.1829 -16.1829 -6.1820 -6.1820 -5.9423 -5.9423 -5.8768 -5.8768 -0.1022 -0.1022 0.0539 0.0539 1.0673 1.0673 1.5448 1.5448 1.9916 1.9916 2.0404 2.0404 2.4929 2.4929 2.5343 2.5343 3.1747 3.1747 5.4449 5.4449 5.6245 5.6245 6.0309 6.0309 6.2165 6.2165 8.3441 8.3441 13.1846 13.1846 14.0590 14.0590 14.7127 14.7127 14.9380 14.9380 k = 0.4151 0.4151-0.0000 ( 3966 PWs) bands (ev): -77.3096 -77.3096 -46.1428 -46.1428 -41.6826 -41.6826 -41.6801 -41.6801 -22.4972 -22.4972 -16.3343 -16.3343 -16.1963 -16.1963 -16.1834 -16.1834 -6.1811 -6.1811 -5.9408 -5.9408 -5.8770 -5.8770 -0.0825 -0.0825 0.0698 0.0698 1.0841 1.0841 1.5344 1.5344 2.0011 2.0011 2.0564 2.0564 2.4913 2.4913 2.5344 2.5344 3.1659 3.1659 5.4346 5.4346 5.6135 5.6135 6.0173 6.0173 6.2106 6.2106 8.3043 8.3043 13.1109 13.1109 14.0351 14.0351 14.7032 14.7032 14.9532 14.9532 k = 0.4057 0.4057-0.0000 ( 3964 PWs) bands (ev): -77.3096 -77.3096 -46.1428 -46.1428 -41.6826 -41.6826 -41.6801 -41.6801 -22.4974 -22.4974 -16.3381 -16.3381 -16.1964 -16.1964 -16.1838 -16.1838 -6.1801 -6.1801 -5.9392 -5.9392 -5.8772 -5.8772 -0.0608 -0.0608 0.0874 0.0874 1.1029 1.1029 1.5238 1.5238 2.0114 2.0114 2.0737 2.0737 2.4895 2.4895 2.5347 2.5347 3.1561 3.1561 5.4232 5.4232 5.6013 5.6013 6.0021 6.0021 6.2041 6.2041 8.2604 8.2604 13.0277 13.0277 14.0186 14.0186 14.6914 14.6914 14.9651 14.9651 k = 0.3962 0.3962-0.0000 ( 3962 PWs) bands (ev): -77.3096 -77.3096 -46.1427 -46.1427 -41.6825 -41.6825 -41.6801 -41.6801 -22.4977 -22.4977 -16.3421 -16.3421 -16.1965 -16.1965 -16.1843 -16.1843 -6.1790 -6.1790 -5.9375 -5.9375 -5.8774 -5.8774 -0.0370 -0.0370 0.1067 0.1067 1.1237 1.1237 1.5129 1.5129 2.0226 2.0226 2.0920 2.0920 2.4877 2.4877 2.5352 2.5352 3.1456 3.1456 5.4107 5.4107 5.5879 5.5879 5.9855 5.9855 6.1969 6.1969 8.2126 8.2126 12.9367 12.9367 14.0085 14.0085 14.6773 14.6773 14.9743 14.9743 k = 0.3868 0.3868-0.0000 ( 3962 PWs) bands (ev): -77.3096 -77.3096 -46.1427 -46.1427 -41.6824 -41.6824 -41.6801 -41.6801 -22.4979 -22.4979 -16.3465 -16.3465 -16.1966 -16.1966 -16.1849 -16.1849 -6.1779 -6.1779 -5.9358 -5.9358 -5.8776 -5.8776 -0.0112 -0.0112 0.1277 0.1277 1.1463 1.1463 1.5019 1.5019 2.0346 2.0346 2.1112 2.1112 2.4858 2.4858 2.5360 2.5360 3.1343 3.1343 5.3970 5.3970 5.5734 5.5734 5.9674 5.9674 6.1890 6.1890 8.1611 8.1611 12.8392 12.8392 14.0034 14.0034 14.6606 14.6606 14.9810 14.9810 k = 0.3774 0.3774-0.0000 ( 3958 PWs) bands (ev): -77.3096 -77.3096 -46.1427 -46.1427 -41.6824 -41.6824 -41.6801 -41.6801 -22.4983 -22.4983 -16.3511 -16.3511 -16.1968 -16.1968 -16.1855 -16.1855 -6.1767 -6.1767 -5.9339 -5.9339 -5.8779 -5.8779 0.0165 0.0165 0.1504 0.1504 1.1709 1.1709 1.4909 1.4909 2.0476 2.0476 2.1311 2.1311 2.4839 2.4839 2.5371 2.5371 3.1223 3.1223 5.3823 5.3823 5.5577 5.5577 5.9480 5.9480 6.1804 6.1804 8.1060 8.1060 12.7366 12.7366 14.0022 14.0022 14.6415 14.6415 14.9860 14.9860 k = 0.3679 0.3679-0.0000 ( 3950 PWs) bands (ev): -77.3096 -77.3096 -46.1427 -46.1427 -41.6823 -41.6823 -41.6800 -41.6800 -22.4986 -22.4986 -16.3560 -16.3560 -16.1970 -16.1970 -16.1861 -16.1861 -6.1755 -6.1755 -5.9320 -5.9320 -5.8781 -5.8781 0.0460 0.0460 0.1747 0.1747 1.1973 1.1973 1.4800 1.4800 2.0614 2.0614 2.1518 2.1518 2.4822 2.4822 2.5384 2.5384 3.1097 3.1097 5.3666 5.3666 5.5410 5.5410 5.9271 5.9271 6.1711 6.1711 8.0477 8.0477 12.6301 12.6301 14.0037 14.0037 14.6196 14.6196 14.9897 14.9897 k = 0.3585 0.3585-0.0000 ( 3940 PWs) bands (ev): -77.3096 -77.3096 -46.1426 -46.1426 -41.6822 -41.6822 -41.6800 -41.6800 -22.4989 -22.4989 -16.3611 -16.3611 -16.1972 -16.1972 -16.1868 -16.1868 -6.1743 -6.1743 -5.9300 -5.9300 -5.8784 -5.8784 0.0773 0.0773 0.2005 0.2005 1.2257 1.2257 1.4691 1.4691 2.0760 2.0760 2.1730 2.1730 2.4808 2.4808 2.5401 2.5401 3.0965 3.0965 5.3498 5.3498 5.5233 5.5233 5.9050 5.9050 6.1611 6.1611 7.9861 7.9861 12.5207 12.5207 14.0069 14.0069 14.5952 14.5952 14.9927 14.9927 k = 0.3491 0.3491-0.0000 ( 3936 PWs) bands (ev): -77.3095 -77.3095 -46.1426 -46.1426 -41.6821 -41.6821 -41.6800 -41.6800 -22.4993 -22.4993 -16.3664 -16.3664 -16.1974 -16.1974 -16.1875 -16.1875 -6.1731 -6.1731 -5.9280 -5.9280 -5.8786 -5.8786 0.1101 0.1101 0.2279 0.2279 1.2558 1.2558 1.4585 1.4585 2.0915 2.0915 2.1946 2.1946 2.4796 2.4796 2.5419 2.5419 3.0829 3.0829 5.3321 5.3321 5.5044 5.5044 5.8816 5.8816 6.1504 6.1504 7.9216 7.9216 12.4091 12.4091 14.0108 14.0108 14.5681 14.5681 14.9954 14.9954 k = 0.3396 0.3396-0.0000 ( 3924 PWs) bands (ev): -77.3095 -77.3095 -46.1426 -46.1426 -41.6820 -41.6820 -41.6799 -41.6799 -22.4997 -22.4997 -16.3720 -16.3720 -16.1977 -16.1977 -16.1882 -16.1882 -6.1719 -6.1719 -5.9260 -5.9260 -5.8789 -5.8789 0.1444 0.1444 0.2568 0.2568 1.2878 1.2878 1.4481 1.4481 2.1078 2.1078 2.2167 2.2167 2.4789 2.4789 2.5440 2.5440 3.0688 3.0688 5.3134 5.3134 5.4847 5.4847 5.8570 5.8570 6.1390 6.1390 7.8544 7.8544 12.2960 12.2960 14.0148 14.0148 14.5386 14.5386 14.9984 14.9984 k = 0.3302 0.3302-0.0000 ( 3922 PWs) bands (ev): -77.3095 -77.3095 -46.1425 -46.1425 -41.6819 -41.6819 -41.6799 -41.6799 -22.5001 -22.5001 -16.3777 -16.3777 -16.1980 -16.1980 -16.1889 -16.1889 -6.1707 -6.1707 -5.9240 -5.9240 -5.8791 -5.8791 0.1801 0.1801 0.2870 0.2870 1.3215 1.3215 1.4380 1.4380 2.1249 2.1249 2.2391 2.2391 2.4787 2.4787 2.5464 2.5464 3.0544 3.0544 5.2938 5.2938 5.4639 5.4639 5.8313 5.8313 6.1268 6.1268 7.7846 7.7846 12.1820 12.1820 14.0181 14.0181 14.5066 14.5066 15.0022 15.0022 k = 0.3208 0.3208-0.0000 ( 3936 PWs) bands (ev): -77.3096 -77.3096 -46.1425 -46.1425 -41.6818 -41.6818 -41.6799 -41.6799 -22.5005 -22.5005 -16.3835 -16.3835 -16.1983 -16.1983 -16.1897 -16.1897 -6.1696 -6.1696 -5.9220 -5.9220 -5.8794 -5.8794 0.2170 0.2170 0.3185 0.3185 1.3567 1.3567 1.4283 1.4283 2.1427 2.1427 2.2617 2.2617 2.4790 2.4790 2.5490 2.5490 3.0397 3.0397 5.2733 5.2733 5.4421 5.4421 5.8044 5.8044 6.1140 6.1140 7.7124 7.7124 12.0673 12.0673 14.0202 14.0202 14.4724 14.4724 15.0073 15.0073 k = 0.3113 0.3113-0.0000 ( 3948 PWs) bands (ev): -77.3096 -77.3096 -46.1425 -46.1425 -41.6817 -41.6817 -41.6799 -41.6799 -22.5010 -22.5010 -16.3895 -16.3895 -16.1986 -16.1986 -16.1905 -16.1905 -6.1685 -6.1685 -5.9200 -5.9200 -5.8797 -5.8797 0.2550 0.2550 0.3512 0.3512 1.3919 1.3919 1.4207 1.4207 2.1611 2.1611 2.2846 2.2846 2.4799 2.4799 2.5519 2.5519 3.0248 3.0248 5.2520 5.2520 5.4194 5.4194 5.7764 5.7764 6.1004 6.1004 7.6382 7.6382 11.9526 11.9526 14.0204 14.0204 14.4362 14.4362 15.0140 15.0140 k = 0.3019 0.3019-0.0000 ( 3952 PWs) bands (ev): -77.3096 -77.3096 -46.1424 -46.1424 -41.6816 -41.6816 -41.6798 -41.6798 -22.5014 -22.5014 -16.3957 -16.3957 -16.1990 -16.1990 -16.1913 -16.1913 -6.1674 -6.1674 -5.9181 -5.9181 -5.8799 -5.8799 0.2941 0.2941 0.3851 0.3851 1.4049 1.4049 1.4375 1.4375 2.1803 2.1803 2.3076 2.3076 2.4815 2.4815 2.5551 2.5551 3.0098 3.0098 5.2300 5.2300 5.3960 5.3960 5.7476 5.7476 6.0861 6.0861 7.5621 7.5621 11.8379 11.8379 14.0185 14.0185 14.3982 14.3982 15.0226 15.0226 k = 0.2925 0.2925-0.0000 ( 3952 PWs) bands (ev): -77.3096 -77.3096 -46.1424 -46.1424 -41.6815 -41.6815 -41.6798 -41.6798 -22.5019 -22.5019 -16.4018 -16.4018 -16.1993 -16.1993 -16.1921 -16.1921 -6.1663 -6.1663 -5.9163 -5.9163 -5.8802 -5.8802 0.3340 0.3340 0.4201 0.4201 1.3975 1.3975 1.4766 1.4766 2.2002 2.2002 2.3308 2.3308 2.4840 2.4840 2.5586 2.5586 2.9948 2.9948 5.2073 5.2073 5.3718 5.3718 5.7179 5.7179 6.0711 6.0711 7.4843 7.4843 11.7238 11.7238 14.0140 14.0140 14.3586 14.3586 15.0336 15.0336 k = 0.2830 0.2830-0.0000 ( 3952 PWs) bands (ev): -77.3096 -77.3096 -46.1424 -46.1424 -41.6814 -41.6814 -41.6798 -41.6798 -22.5024 -22.5024 -16.4081 -16.4081 -16.1997 -16.1997 -16.1929 -16.1929 -6.1654 -6.1654 -5.9145 -5.9145 -5.8805 -5.8805 0.3747 0.3747 0.4561 0.4561 1.3891 1.3891 1.5186 1.5186 2.2207 2.2207 2.3540 2.3540 2.4872 2.4872 2.5624 2.5624 2.9798 2.9798 5.1840 5.1840 5.3468 5.3468 5.6875 5.6875 6.0554 6.0554 7.4050 7.4050 11.6103 11.6103 14.0068 14.0068 14.3176 14.3176 15.0469 15.0469 k = 0.2736 0.2736-0.0000 ( 3942 PWs) bands (ev): -77.3096 -77.3096 -46.1423 -46.1423 -41.6813 -41.6813 -41.6797 -41.6797 -22.5028 -22.5028 -16.4144 -16.4144 -16.2001 -16.2001 -16.1937 -16.1937 -6.1644 -6.1644 -5.9129 -5.9129 -5.8807 -5.8807 0.4160 0.4160 0.4932 0.4932 1.3808 1.3808 1.5625 1.5625 2.2418 2.2418 2.3772 2.3772 2.4913 2.4913 2.5666 2.5666 2.9651 2.9651 5.1602 5.1602 5.3212 5.3212 5.6563 5.6563 6.0391 6.0391 7.3246 7.3246 11.4978 11.4978 13.9969 13.9969 14.2755 14.2755 15.0629 15.0629 k = 0.2642 0.2642-0.0000 ( 3952 PWs) bands (ev): -77.3096 -77.3096 -46.1423 -46.1423 -41.6812 -41.6812 -41.6797 -41.6797 -22.5033 -22.5033 -16.4207 -16.4207 -16.2005 -16.2005 -16.1945 -16.1945 -6.1636 -6.1636 -5.9113 -5.9113 -5.8810 -5.8810 0.4576 0.4576 0.5308 0.5308 1.3727 1.3727 1.6081 1.6081 2.2634 2.2634 2.4004 2.4004 2.4962 2.4962 2.5711 2.5711 2.9504 2.9504 5.1357 5.1357 5.2948 5.2948 5.6244 5.6244 6.0221 6.0221 7.2430 7.2430 11.3864 11.3864 13.9841 13.9841 14.2325 14.2325 15.0814 15.0814 k = 0.2547 0.2547-0.0000 ( 3952 PWs) bands (ev): -77.3096 -77.3096 -46.1423 -46.1423 -41.6811 -41.6811 -41.6797 -41.6797 -22.5038 -22.5038 -16.4271 -16.4271 -16.2009 -16.2009 -16.1953 -16.1953 -6.1628 -6.1628 -5.9098 -5.9098 -5.8813 -5.8813 0.4995 0.4995 0.5692 0.5692 1.3649 1.3649 1.6551 1.6551 2.2854 2.2854 2.4235 2.4235 2.5021 2.5021 2.5761 2.5761 2.9361 2.9361 5.1109 5.1109 5.2678 5.2678 5.5920 5.5920 6.0045 6.0045 7.1607 7.1607 11.2763 11.2763 13.9685 13.9685 14.1889 14.1889 15.1024 15.1024 k = 0.2453 0.2453-0.0000 ( 3944 PWs) bands (ev): -77.3096 -77.3096 -46.1422 -46.1422 -41.6809 -41.6809 -41.6796 -41.6796 -22.5043 -22.5043 -16.4334 -16.4334 -16.2013 -16.2013 -16.1961 -16.1961 -6.1620 -6.1620 -5.9084 -5.9084 -5.8817 -5.8817 0.5415 0.5415 0.6081 0.6081 1.3575 1.3575 1.7035 1.7035 2.3079 2.3079 2.4466 2.4466 2.5088 2.5088 2.5815 2.5815 2.9221 2.9221 5.0858 5.0858 5.2403 5.2403 5.5592 5.5592 5.9863 5.9863 7.0777 7.0777 11.1679 11.1679 13.9504 13.9504 14.1448 14.1448 15.1258 15.1258 k = 0.2358 0.2358-0.0000 ( 3948 PWs) bands (ev): -77.3096 -77.3096 -46.1422 -46.1422 -41.6808 -41.6808 -41.6796 -41.6796 -22.5049 -22.5049 -16.4397 -16.4397 -16.2017 -16.2017 -16.1969 -16.1969 -6.1614 -6.1614 -5.9071 -5.9071 -5.8820 -5.8820 0.5835 0.5835 0.6474 0.6474 1.3503 1.3503 1.7532 1.7532 2.3307 2.3307 2.4693 2.4693 2.5166 2.5166 2.5874 2.5874 2.9086 2.9086 5.0603 5.0603 5.2121 5.2121 5.5260 5.5260 5.9674 5.9674 6.9943 6.9943 11.0611 11.0611 13.9300 13.9300 14.1006 14.1006 15.1514 15.1514 k = 0.2264 0.2264-0.0000 ( 3942 PWs) bands (ev): -77.3096 -77.3096 -46.1421 -46.1421 -41.6807 -41.6807 -41.6796 -41.6796 -22.5054 -22.5054 -16.4459 -16.4459 -16.2021 -16.2021 -16.1976 -16.1976 -6.1608 -6.1608 -5.9059 -5.9059 -5.8824 -5.8824 0.6253 0.6253 0.6870 0.6870 1.3436 1.3436 1.8041 1.8041 2.3538 2.3538 2.4916 2.4916 2.5253 2.5253 2.5939 2.5939 2.8955 2.8955 5.0346 5.0346 5.1835 5.1835 5.4926 5.4926 5.9480 5.9480 6.9108 6.9108 10.9564 10.9564 13.9075 13.9075 14.0564 14.0564 15.1790 15.1790 k = 0.2170 0.2170-0.0000 ( 3942 PWs) bands (ev): -77.3096 -77.3096 -46.1421 -46.1421 -41.6806 -41.6806 -41.6795 -41.6795 -22.5059 -22.5059 -16.4520 -16.4520 -16.2024 -16.2024 -16.1983 -16.1983 -6.1603 -6.1603 -5.9048 -5.9048 -5.8828 -5.8828 0.6668 0.6668 0.7267 0.7267 1.3372 1.3372 1.8560 1.8560 2.3771 2.3771 2.5132 2.5132 2.5353 2.5353 2.6009 2.6009 2.8829 2.8829 5.0088 5.0088 5.1545 5.1545 5.4590 5.4590 5.9281 5.9281 6.8273 6.8273 10.8537 10.8537 13.8831 13.8831 14.0124 14.0124 15.2084 15.2084 k = 0.2075 0.2075-0.0000 ( 3948 PWs) bands (ev): -77.3096 -77.3096 -46.1421 -46.1421 -41.6805 -41.6805 -41.6795 -41.6795 -22.5064 -22.5064 -16.4581 -16.4581 -16.2028 -16.2028 -16.1990 -16.1990 -6.1599 -6.1599 -5.9037 -5.9037 -5.8833 -5.8833 0.7077 0.7077 0.7663 0.7663 1.3311 1.3311 1.9089 1.9089 2.4005 2.4005 2.5331 2.5331 2.5474 2.5474 2.6085 2.6085 2.8709 2.8709 4.9828 4.9828 5.1250 5.1250 5.4254 5.4254 5.9076 5.9076 6.7440 6.7440 10.7534 10.7534 13.8573 13.8573 13.9689 13.9689 15.2394 15.2394 k = 0.1981 0.1981-0.0000 ( 3942 PWs) bands (ev): -77.3096 -77.3096 -46.1420 -46.1420 -41.6804 -41.6804 -41.6795 -41.6795 -22.5069 -22.5069 -16.4640 -16.4640 -16.2032 -16.2032 -16.1997 -16.1997 -6.1595 -6.1595 -5.9028 -5.9028 -5.8838 -5.8838 0.7481 0.7481 0.8057 0.8057 1.3254 1.3254 1.9626 1.9626 2.4240 2.4240 2.5493 2.5493 2.5636 2.5636 2.6169 2.6169 2.8596 2.8596 4.9570 4.9570 5.0952 5.0952 5.3920 5.3920 5.8869 5.8869 6.6613 6.6613 10.6556 10.6556 13.8303 13.8303 13.9260 13.9260 15.2717 15.2717 k = 0.1887 0.1887-0.0000 ( 3934 PWs) bands (ev): -77.3096 -77.3096 -46.1420 -46.1420 -41.6803 -41.6803 -41.6794 -41.6794 -22.5074 -22.5074 -16.4698 -16.4698 -16.2035 -16.2035 -16.2004 -16.2004 -6.1592 -6.1592 -5.9019 -5.9019 -5.8843 -5.8843 0.7877 0.7877 0.8446 0.8446 1.3200 1.3200 2.0169 2.0169 2.4475 2.4475 2.5627 2.5627 2.5828 2.5828 2.6260 2.6260 2.8489 2.8489 4.9313 4.9313 5.0651 5.0651 5.3589 5.3589 5.8657 5.8657 6.5793 6.5793 10.5605 10.5605 13.8023 13.8023 13.8840 13.8840 15.3050 15.3050 k = 0.1792 0.1792-0.0000 ( 3930 PWs) bands (ev): -77.3096 -77.3096 -46.1420 -46.1420 -41.6802 -41.6802 -41.6794 -41.6794 -22.5079 -22.5079 -16.4755 -16.4755 -16.2039 -16.2039 -16.2010 -16.2010 -6.1590 -6.1590 -5.9011 -5.9011 -5.8849 -5.8849 0.8264 0.8264 0.8828 0.8828 1.3150 1.3150 2.0716 2.0716 2.4709 2.4709 2.5754 2.5754 2.6026 2.6026 2.6360 2.6360 2.8389 2.8389 4.9057 4.9057 5.0348 5.0348 5.3260 5.3260 5.8443 5.8443 6.4983 6.4983 10.4684 10.4684 13.7737 13.7737 13.8429 13.8429 15.3391 15.3391 k = 0.1698 0.1698-0.0000 ( 3926 PWs) bands (ev): -77.3096 -77.3096 -46.1419 -46.1419 -41.6801 -41.6801 -41.6794 -41.6794 -22.5084 -22.5084 -16.4809 -16.4809 -16.2042 -16.2042 -16.2016 -16.2016 -6.1588 -6.1588 -5.9004 -5.9004 -5.8855 -5.8855 0.8641 0.8641 0.9203 0.9203 1.3103 1.3103 2.1265 2.1265 2.4940 2.4940 2.5883 2.5883 2.6220 2.6220 2.6472 2.6472 2.8295 2.8295 4.8805 4.8805 5.0044 5.0044 5.2938 5.2938 5.8227 5.8227 6.4186 6.4186 10.3793 10.3793 13.7448 13.7448 13.8030 13.8030 15.3737 15.3737 k = 0.1604 0.1604-0.0000 ( 3930 PWs) bands (ev): -77.3096 -77.3096 -46.1419 -46.1419 -41.6800 -41.6800 -41.6793 -41.6793 -22.5088 -22.5088 -16.4862 -16.4862 -16.2045 -16.2045 -16.2022 -16.2022 -6.1587 -6.1587 -5.8997 -5.8997 -5.8861 -5.8861 0.9005 0.9005 0.9567 0.9567 1.3060 1.3060 2.1813 2.1813 2.5169 2.5169 2.6015 2.6015 2.6402 2.6402 2.6596 2.6596 2.8208 2.8208 4.8557 4.8557 4.9737 4.9737 5.2620 5.2620 5.8010 5.8010 6.3403 6.3403 10.2935 10.2935 13.7158 13.7158 13.7644 13.7644 15.4085 15.4085 k = 0.1509 0.1509-0.0000 ( 3934 PWs) bands (ev): -77.3096 -77.3096 -46.1419 -46.1419 -41.6799 -41.6799 -41.6793 -41.6793 -22.5093 -22.5093 -16.4913 -16.4913 -16.2048 -16.2048 -16.2027 -16.2027 -6.1586 -6.1586 -5.8991 -5.8991 -5.8868 -5.8868 0.9356 0.9356 0.9919 0.9919 1.3020 1.3020 2.2358 2.2358 2.5394 2.5394 2.6149 2.6149 2.6569 2.6569 2.6738 2.6738 2.8129 2.8129 4.8314 4.8314 4.9431 4.9431 5.2311 5.2311 5.7793 5.7793 6.2639 6.2639 10.2113 10.2113 13.6870 13.6870 13.7272 13.7272 15.4431 15.4431 k = 0.1415 0.1415-0.0000 ( 3936 PWs) bands (ev): -77.3096 -77.3096 -46.1418 -46.1418 -41.6798 -41.6798 -41.6793 -41.6793 -22.5097 -22.5097 -16.4961 -16.4961 -16.2051 -16.2051 -16.2032 -16.2032 -6.1586 -6.1586 -5.8986 -5.8986 -5.8875 -5.8875 0.9691 0.9691 1.0258 1.0258 1.2984 1.2984 2.2899 2.2899 2.5614 2.5614 2.6286 2.6286 2.6721 2.6721 2.6895 2.6895 2.8058 2.8058 4.8077 4.8077 4.9125 4.9125 5.2011 5.2011 5.7577 5.7577 6.1896 6.1896 10.1327 10.1327 13.6586 13.6586 13.6916 13.6916 15.4772 15.4772 k = 0.1321 0.1321-0.0000 ( 3930 PWs) bands (ev): -77.3096 -77.3096 -46.1418 -46.1418 -41.6797 -41.6797 -41.6793 -41.6793 -22.5101 -22.5101 -16.5007 -16.5007 -16.2054 -16.2054 -16.2037 -16.2037 -6.1586 -6.1586 -5.8981 -5.8981 -5.8882 -5.8882 1.0011 1.0011 1.0582 1.0582 1.2952 1.2952 2.3430 2.3430 2.5829 2.5829 2.6424 2.6424 2.6864 2.6864 2.7059 2.7059 2.7994 2.7994 4.7848 4.7848 4.8822 4.8822 5.1723 5.1723 5.7364 5.7364 6.1177 6.1177 10.0581 10.0581 13.6309 13.6309 13.6577 13.6577 15.5103 15.5103 k = 0.1226 0.1226-0.0000 ( 3922 PWs) bands (ev): -77.3096 -77.3096 -46.1418 -46.1418 -41.6796 -41.6796 -41.6792 -41.6792 -22.5105 -22.5105 -16.5051 -16.5051 -16.2056 -16.2056 -16.2042 -16.2042 -6.1587 -6.1587 -5.8976 -5.8976 -5.8889 -5.8889 1.0313 1.0313 1.0889 1.0889 1.2924 1.2924 2.3950 2.3950 2.6035 2.6035 2.6563 2.6563 2.7005 2.7005 2.7222 2.7222 2.7939 2.7939 4.7628 4.7628 4.8523 4.8523 5.1446 5.1446 5.7156 5.7156 6.0486 6.0486 9.9876 9.9876 13.6042 13.6042 13.6257 13.6257 15.5422 15.5422 k = 0.1132 0.1132-0.0000 ( 3918 PWs) bands (ev): -77.3096 -77.3096 -46.1417 -46.1417 -41.6795 -41.6795 -41.6792 -41.6792 -22.5109 -22.5109 -16.5092 -16.5092 -16.2058 -16.2058 -16.2046 -16.2046 -6.1588 -6.1588 -5.8972 -5.8972 -5.8896 -5.8896 1.0595 1.0595 1.1178 1.1178 1.2901 1.2901 2.4453 2.4453 2.6233 2.6233 2.6701 2.6701 2.7145 2.7145 2.7378 2.7378 2.7893 2.7893 4.7417 4.7417 4.8228 4.8228 5.1183 5.1183 5.6953 5.6953 5.9826 5.9826 9.9213 9.9213 13.5785 13.5785 13.5956 13.5956 15.5722 15.5722 k = 0.1038 0.1038-0.0000 ( 3916 PWs) bands (ev): -77.3096 -77.3096 -46.1417 -46.1417 -41.6795 -41.6795 -41.6792 -41.6792 -22.5113 -22.5113 -16.5130 -16.5130 -16.2060 -16.2060 -16.2050 -16.2050 -6.1589 -6.1589 -5.8968 -5.8968 -5.8903 -5.8903 1.0856 1.0856 1.1448 1.1448 1.2881 1.2881 2.4936 2.4936 2.6422 2.6422 2.6838 2.6838 2.7285 2.7285 2.7520 2.7520 2.7863 2.7863 4.7216 4.7216 4.7940 4.7940 5.0935 5.0935 5.6757 5.6757 5.9200 5.9200 9.8596 9.8596 13.5542 13.5542 13.5675 13.5675 15.5998 15.5998 k = 0.0943 0.0943-0.0000 ( 3916 PWs) bands (ev): -77.3096 -77.3096 -46.1417 -46.1417 -41.6794 -41.6794 -41.6792 -41.6792 -22.5116 -22.5116 -16.5165 -16.5165 -16.2062 -16.2062 -16.2053 -16.2053 -6.1590 -6.1590 -5.8965 -5.8965 -5.8910 -5.8910 1.1095 1.1095 1.1698 1.1698 1.2867 1.2867 2.5392 2.5392 2.6600 2.6600 2.6970 2.6970 2.7422 2.7422 2.7635 2.7635 2.7861 2.7861 4.7027 4.7027 4.7661 4.7661 5.0703 5.0703 5.6570 5.6570 5.8612 5.8612 9.8025 9.8025 13.5313 13.5313 13.5416 13.5416 15.6247 15.6247 k = 0.0849 0.0849-0.0000 ( 3918 PWs) bands (ev): -77.3096 -77.3096 -46.1417 -46.1417 -41.6793 -41.6793 -41.6791 -41.6791 -22.5119 -22.5119 -16.5197 -16.5197 -16.2064 -16.2064 -16.2057 -16.2057 -6.1592 -6.1592 -5.8962 -5.8962 -5.8917 -5.8917 1.1309 1.1309 1.1927 1.1927 1.2857 1.2857 2.5816 2.5816 2.6767 2.6767 2.7097 2.7097 2.7548 2.7548 2.7702 2.7702 2.7916 2.7916 4.6852 4.6852 4.7394 4.7394 5.0489 5.0489 5.6394 5.6394 5.8065 5.8065 9.7502 9.7502 13.5101 13.5101 13.5179 13.5179 15.6463 15.6463 k = 0.0755 0.0755-0.0000 ( 3922 PWs) bands (ev): -77.3096 -77.3096 -46.1417 -46.1417 -41.6793 -41.6793 -41.6791 -41.6791 -22.5122 -22.5122 -16.5226 -16.5226 -16.2065 -16.2065 -16.2060 -16.2060 -6.1593 -6.1593 -5.8959 -5.8959 -5.8923 -5.8923 1.1499 1.1499 1.2133 1.2133 1.2853 1.2853 2.6202 2.6202 2.6920 2.6920 2.7217 2.7217 2.7630 2.7630 2.7766 2.7766 2.8015 2.8015 4.6691 4.6691 4.7141 4.7141 5.0294 5.0294 5.6229 5.6229 5.7563 5.7563 9.7030 9.7030 13.4907 13.4907 13.4965 13.4965 15.6643 15.6643 k = 0.0660 0.0660-0.0000 ( 3913 PWs) bands (ev): -77.3096 -77.3096 -46.1416 -46.1416 -41.6792 -41.6792 -41.6791 -41.6791 -22.5124 -22.5124 -16.5252 -16.5252 -16.2066 -16.2066 -16.2062 -16.2062 -6.1595 -6.1595 -5.8957 -5.8957 -5.8929 -5.8929 1.1662 1.1662 1.2318 1.2318 1.2854 1.2854 2.6542 2.6542 2.7059 2.7059 2.7330 2.7330 2.7651 2.7651 2.7881 2.7881 2.8122 2.8122 4.6547 4.6547 4.6908 4.6908 5.0119 5.0119 5.6080 5.6080 5.7110 5.7110 9.6609 9.6609 13.4733 13.4733 13.4774 13.4774 15.6786 15.6786 k = 0.0566 0.0566-0.0000 ( 3913 PWs) bands (ev): -77.3096 -77.3096 -46.1416 -46.1416 -41.6792 -41.6792 -41.6791 -41.6791 -22.5126 -22.5126 -16.5275 -16.5275 -16.2068 -16.2068 -16.2064 -16.2064 -6.1596 -6.1596 -5.8955 -5.8955 -5.8934 -5.8934 1.1799 1.1799 1.2478 1.2478 1.2861 1.2861 2.6826 2.6826 2.7182 2.7182 2.7434 2.7434 2.7659 2.7659 2.8011 2.8011 2.8224 2.8224 4.6418 4.6418 4.6695 4.6695 4.9965 4.9965 5.5946 5.5946 5.6709 5.6709 9.6242 9.6242 13.4579 13.4579 13.4608 13.4608 15.6896 15.6896 k = 0.0472 0.0472-0.0000 ( 3909 PWs) bands (ev): -77.3096 -77.3096 -46.1416 -46.1416 -41.6791 -41.6791 -41.6791 -41.6791 -22.5128 -22.5128 -16.5294 -16.5294 -16.2068 -16.2068 -16.2066 -16.2066 -6.1597 -6.1597 -5.8953 -5.8953 -5.8938 -5.8938 1.1910 1.1910 1.2616 1.2616 1.2873 1.2873 2.7047 2.7047 2.7283 2.7283 2.7529 2.7529 2.7675 2.7675 2.8143 2.8143 2.8316 2.8316 4.6308 4.6308 4.6507 4.6507 4.9832 4.9832 5.5830 5.5830 5.6363 5.6363 9.5929 9.5929 13.4447 13.4447 13.4466 13.4466 15.6982 15.6982 k = 0.0377 0.0377-0.0000 ( 3903 PWs) bands (ev): -77.3096 -77.3096 -46.1416 -46.1416 -41.6791 -41.6791 -41.6791 -41.6791 -22.5130 -22.5130 -16.5310 -16.5310 -16.2069 -16.2069 -16.2068 -16.2068 -6.1598 -6.1598 -5.8951 -5.8951 -5.8942 -5.8942 1.1995 1.1995 1.2729 1.2729 1.2888 1.2888 2.7207 2.7207 2.7357 2.7357 2.7608 2.7608 2.7712 2.7712 2.8268 2.8268 2.8395 2.8395 4.6216 4.6216 4.6348 4.6348 4.9723 4.9723 5.5732 5.5732 5.6076 5.6076 9.5671 9.5671 13.4338 13.4338 13.4350 13.4350 15.7048 15.7049 k = 0.0283 0.0283-0.0000 ( 3901 PWs) bands (ev): -77.3096 -77.3096 -46.1416 -46.1416 -41.6791 -41.6791 -41.6791 -41.6791 -22.5131 -22.5131 -16.5322 -16.5322 -16.2070 -16.2070 -16.2069 -16.2069 -6.1599 -6.1599 -5.8950 -5.8950 -5.8945 -5.8945 1.2058 1.2058 1.2817 1.2817 1.2904 1.2904 2.7316 2.7316 2.7401 2.7401 2.7664 2.7664 2.7768 2.7768 2.8380 2.8380 2.8459 2.8459 4.6144 4.6144 4.6220 4.6220 4.9638 4.9638 5.5655 5.5655 5.5849 5.5849 9.5469 9.5469 13.4253 13.4253 13.4259 13.4259 15.7098 15.7099 k = 0.0189 0.0189-0.0000 ( 3901 PWs) bands (ev): -77.3096 -77.3096 -46.1416 -46.1416 -41.6791 -41.6791 -41.6791 -41.6791 -22.5132 -22.5132 -16.5331 -16.5331 -16.2070 -16.2070 -16.2070 -16.2070 -6.1600 -6.1600 -5.8949 -5.8949 -5.8947 -5.8947 1.2100 1.2100 1.2880 1.2880 1.2918 1.2918 2.7386 2.7386 2.7424 2.7424 2.7701 2.7701 2.7823 2.7823 2.8468 2.8468 2.8506 2.8506 4.6092 4.6092 4.6126 4.6126 4.9576 4.9576 5.5599 5.5599 5.5686 5.5686 9.5325 9.5325 13.4191 13.4191 13.4194 13.4194 15.7135 15.7154 k = 0.0094 0.0094-0.0000 ( 3905 PWs) bands (ev): -77.3096 -77.3096 -46.1416 -46.1416 -41.6791 -41.6791 -41.6791 -41.6791 -22.5132 -22.5132 -16.5336 -16.5336 -16.2070 -16.2070 -16.2070 -16.2070 -6.1600 -6.1600 -5.8949 -5.8949 -5.8948 -5.8948 1.2124 1.2124 1.2918 1.2918 1.2928 1.2928 2.7425 2.7425 2.7435 2.7435 2.7723 2.7723 2.7860 2.7860 2.8525 2.8525 2.8534 2.8534 4.6060 4.6060 4.6068 4.6068 4.9538 4.9538 5.5565 5.5565 5.5587 5.5587 9.5238 9.5238 13.4154 13.4154 13.4154 13.4154 15.7155 15.7158 k = 0.0000 0.0000 0.0000 ( 3911 PWs) bands (ev): -77.3096 -77.3096 -46.1416 -46.1416 -41.6791 -41.6791 -41.6791 -41.6791 -22.5132 -22.5132 -16.5338 -16.5338 -16.2070 -16.2070 -16.2070 -16.2070 -6.1600 -6.1600 -5.8949 -5.8949 -5.8949 -5.8949 1.2132 1.2132 1.2931 1.2931 1.2931 1.2931 2.7438 2.7438 2.7438 2.7438 2.7730 2.7730 2.7872 2.7872 2.8544 2.8544 2.8544 2.8544 4.6049 4.6049 4.6049 4.6049 4.9525 4.9525 5.5554 5.5554 5.5554 5.5554 9.5209 9.5209 13.4141 13.4141 13.4141 13.4141 15.7160 15.7160 k = 0.0000 0.0000 0.0000 ( 3911 PWs) bands (ev): -77.3096 -77.3096 -46.1416 -46.1416 -41.6791 -41.6791 -41.6791 -41.6791 -22.5132 -22.5132 -16.5338 -16.5338 -16.2070 -16.2070 -16.2070 -16.2070 -6.1600 -6.1600 -5.8949 -5.8949 -5.8949 -5.8949 1.2132 1.2132 1.2931 1.2931 1.2931 1.2931 2.7438 2.7438 2.7438 2.7438 2.7730 2.7730 2.7872 2.7872 2.8544 2.8544 2.8544 2.8544 4.6049 4.6049 4.6049 4.6049 4.9525 4.9525 5.5554 5.5554 5.5554 5.5554 9.5209 9.5209 13.4141 13.4141 13.4141 13.4141 15.7160 15.7160 k = 0.0077 0.0077 0.0077 ( 3902 PWs) bands (ev): -77.3096 -77.3096 -46.1416 -46.1416 -41.6791 -41.6791 -41.6791 -41.6791 -22.5132 -22.5132 -16.5336 -16.5336 -16.2070 -16.2070 -16.2070 -16.2070 -6.1600 -6.1600 -5.8949 -5.8949 -5.8948 -5.8948 1.2124 1.2124 1.2922 1.2922 1.2923 1.2923 2.7424 2.7424 2.7435 2.7435 2.7723 2.7723 2.7860 2.7860 2.8526 2.8526 2.8534 2.8534 4.6063 4.6063 4.6066 4.6066 4.9538 4.9538 5.5576 5.5576 5.5577 5.5577 9.5238 9.5238 13.4154 13.4154 13.4154 13.4154 15.7154 15.7158 k = 0.0154 0.0154 0.0154 ( 3902 PWs) bands (ev): -77.3096 -77.3096 -46.1416 -46.1416 -41.6791 -41.6791 -41.6791 -41.6791 -22.5132 -22.5132 -16.5331 -16.5331 -16.2070 -16.2070 -16.2070 -16.2070 -6.1600 -6.1600 -5.8950 -5.8950 -5.8947 -5.8947 1.2101 1.2101 1.2896 1.2896 1.2901 1.2901 2.7384 2.7384 2.7425 2.7425 2.7701 2.7701 2.7824 2.7824 2.8471 2.8471 2.8502 2.8502 4.6103 4.6103 4.6115 4.6115 4.9575 4.9575 5.5641 5.5641 5.5644 5.5644 9.5324 9.5324 13.4192 13.4192 13.4192 13.4192 15.7131 15.7132 k = 0.0231 0.0231 0.0231 ( 3902 PWs) bands (ev): -77.3096 -77.3096 -46.1416 -46.1416 -41.6791 -41.6791 -41.6791 -41.6791 -22.5131 -22.5131 -16.5322 -16.5322 -16.2070 -16.2070 -16.2069 -16.2069 -6.1599 -6.1599 -5.8950 -5.8950 -5.8945 -5.8945 1.2062 1.2062 1.2853 1.2853 1.2864 1.2864 2.7317 2.7317 2.7398 2.7398 2.7669 2.7669 2.7767 2.7767 2.8384 2.8384 2.8453 2.8453 4.6168 4.6168 4.6195 4.6195 4.9637 4.9637 5.5749 5.5749 5.5755 5.5755 9.5468 9.5468 13.4255 13.4255 13.4256 13.4256 15.7088 15.7089 k = 0.0308 0.0308 0.0308 ( 3905 PWs) bands (ev): -77.3096 -77.3096 -46.1416 -46.1416 -41.6791 -41.6791 -41.6791 -41.6791 -22.5130 -22.5130 -16.5310 -16.5310 -16.2069 -16.2069 -16.2068 -16.2068 -6.1598 -6.1598 -5.8952 -5.8952 -5.8942 -5.8942 1.2008 1.2008 1.2793 1.2793 1.2812 1.2812 2.7219 2.7219 2.7338 2.7338 2.7627 2.7627 2.7701 2.7701 2.8270 2.8270 2.8390 2.8390 4.6259 4.6259 4.6306 4.6306 4.9722 4.9722 5.5900 5.5900 5.5910 5.5910 9.5669 9.5669 13.4343 13.4343 13.4344 13.4344 15.7021 15.7021 k = 0.0385 0.0385 0.0385 ( 3911 PWs) bands (ev): -77.3096 -77.3096 -46.1416 -46.1416 -41.6791 -41.6791 -41.6791 -41.6791 -22.5128 -22.5128 -16.5294 -16.5294 -16.2068 -16.2068 -16.2066 -16.2066 -6.1597 -6.1597 -5.8953 -5.8953 -5.8938 -5.8938 1.1937 1.1937 1.2716 1.2716 1.2745 1.2745 2.7090 2.7090 2.7230 2.7230 2.7547 2.7547 2.7663 2.7663 2.8142 2.8142 2.8316 2.8316 4.6373 4.6373 4.6446 4.6446 4.9829 4.9829 5.6092 5.6092 5.6107 5.6107 9.5925 9.5925 13.4456 13.4456 13.4458 13.4458 15.6927 15.6927 k = 0.0462 0.0462 0.0462 ( 3911 PWs) bands (ev): -77.3096 -77.3096 -46.1416 -46.1416 -41.6791 -41.6791 -41.6791 -41.6791 -22.5126 -22.5126 -16.5274 -16.5274 -16.2067 -16.2067 -16.2064 -16.2064 -6.1596 -6.1596 -5.8955 -5.8955 -5.8933 -5.8933 1.1852 1.1852 1.2622 1.2622 1.2663 1.2663 2.6929 2.6929 2.7073 2.7073 2.7409 2.7409 2.7660 2.7660 2.8017 2.8017 2.8237 2.8237 4.6511 4.6511 4.6612 4.6612 4.9958 4.9958 5.6324 5.6324 5.6345 5.6345 9.6237 9.6237 13.4593 13.4593 13.4596 13.4596 15.6802 15.6802 k = 0.0538 0.0538 0.0538 ( 3911 PWs) bands (ev): -77.3096 -77.3096 -46.1416 -46.1416 -41.6792 -41.6792 -41.6792 -41.6792 -22.5124 -22.5124 -16.5252 -16.5252 -16.2066 -16.2066 -16.2062 -16.2062 -6.1595 -6.1595 -5.8958 -5.8958 -5.8928 -5.8928 1.1751 1.1751 1.2512 1.2512 1.2566 1.2566 2.6735 2.6735 2.6875 2.6875 2.7218 2.7218 2.7671 2.7671 2.7909 2.7909 2.8157 2.8157 4.6670 4.6670 4.6802 4.6802 5.0108 5.0108 5.6595 5.6595 5.6623 5.6623 9.6601 9.6601 13.4754 13.4754 13.4757 13.4757 15.6647 15.6647 k = 0.0615 0.0615 0.0615 ( 3917 PWs) bands (ev): -77.3096 -77.3096 -46.1417 -46.1417 -41.6792 -41.6792 -41.6792 -41.6792 -22.5122 -22.5122 -16.5225 -16.5225 -16.2065 -16.2065 -16.2060 -16.2060 -6.1593 -6.1593 -5.8961 -5.8961 -5.8922 -5.8922 1.1634 1.1634 1.2386 1.2386 1.2454 1.2454 2.6510 2.6510 2.6639 2.6639 2.6979 2.6979 2.7677 2.7677 2.7834 2.7834 2.8077 2.8077 4.6848 4.6848 4.7014 4.7014 5.0276 5.0276 5.6904 5.6904 5.6938 5.6938 9.7018 9.7018 13.4939 13.4939 13.4943 13.4943 15.6462 15.6462 k = 0.0692 0.0692 0.0692 ( 3923 PWs) bands (ev): -77.3096 -77.3096 -46.1417 -46.1417 -41.6792 -41.6792 -41.6792 -41.6792 -22.5119 -22.5119 -16.5196 -16.5196 -16.2064 -16.2064 -16.2057 -16.2057 -6.1592 -6.1592 -5.8964 -5.8964 -5.8915 -5.8915 1.1502 1.1502 1.2245 1.2245 1.2328 1.2328 2.6256 2.6256 2.6368 2.6368 2.6700 2.6700 2.7654 2.7654 2.7811 2.7811 2.8001 2.8001 4.7046 4.7046 4.7245 4.7245 5.0462 5.0462 5.7248 5.7248 5.7288 5.7288 9.7485 9.7485 13.5146 13.5146 13.5151 13.5151 15.6251 15.6251 k = 0.0769 0.0769 0.0769 ( 3917 PWs) bands (ev): -77.3096 -77.3096 -46.1417 -46.1417 -41.6793 -41.6793 -41.6793 -41.6793 -22.5116 -22.5116 -16.5163 -16.5163 -16.2062 -16.2062 -16.2054 -16.2054 -6.1591 -6.1591 -5.8968 -5.8968 -5.8908 -5.8908 1.1356 1.1356 1.2089 1.2089 1.2186 1.2186 2.5976 2.5976 2.6064 2.6064 2.6394 2.6394 2.7602 2.7602 2.7833 2.7833 2.7929 2.7929 4.7260 4.7260 4.7494 4.7494 5.0664 5.0664 5.7626 5.7626 5.7673 5.7673 9.8001 9.8001 13.5375 13.5375 13.5381 13.5381 15.6017 15.6017 k = 0.0846 0.0846 0.0846 ( 3923 PWs) bands (ev): -77.3096 -77.3096 -46.1417 -46.1417 -41.6793 -41.6793 -41.6793 -41.6793 -22.5113 -22.5113 -16.5126 -16.5126 -16.2061 -16.2061 -16.2050 -16.2050 -6.1590 -6.1590 -5.8973 -5.8973 -5.8901 -5.8901 1.1194 1.1194 1.1918 1.1918 1.2030 1.2030 2.5673 2.5673 2.5726 2.5726 2.6069 2.6069 2.7545 2.7545 2.7862 2.7862 2.7874 2.7874 4.7489 4.7489 4.7757 4.7757 5.0881 5.0881 5.8036 5.8036 5.8088 5.8088 9.8563 9.8563 13.5625 13.5625 13.5632 13.5632 15.5766 15.5766 k = 0.0923 0.0923 0.0923 ( 3926 PWs) bands (ev): -77.3096 -77.3096 -46.1418 -46.1418 -41.6794 -41.6794 -41.6794 -41.6794 -22.5109 -22.5109 -16.5087 -16.5087 -16.2059 -16.2059 -16.2047 -16.2047 -6.1590 -6.1590 -5.8978 -5.8978 -5.8894 -5.8894 1.1017 1.1017 1.1733 1.1733 1.1859 1.1859 2.5350 2.5350 2.5354 2.5354 2.5732 2.5732 2.7491 2.7491 2.7801 2.7801 2.7926 2.7926 4.7731 4.7731 4.8034 4.8034 5.1111 5.1111 5.8477 5.8477 5.8533 5.8533 9.9170 9.9170 13.5895 13.5895 13.5904 13.5904 15.5504 15.5504 k = 0.1000 0.1000 0.1000 ( 3950 PWs) bands (ev): -77.3096 -77.3096 -46.1418 -46.1418 -41.6794 -41.6794 -41.6794 -41.6794 -22.5105 -22.5105 -16.5044 -16.5044 -16.2057 -16.2057 -16.2043 -16.2043 -6.1590 -6.1590 -5.8984 -5.8984 -5.8886 -5.8886 1.0825 1.0825 1.1534 1.1534 1.1673 1.1673 2.4953 2.4953 2.5010 2.5010 2.5385 2.5385 2.7441 2.7441 2.7746 2.7746 2.7983 2.7983 4.7985 4.7985 4.8320 4.8320 5.1352 5.1352 5.8944 5.8944 5.9005 5.9005 9.9820 9.9820 13.6184 13.6184 13.6195 13.6195 15.5235 15.5235 k = 0.1077 0.1077 0.1077 ( 3932 PWs) bands (ev): -77.3096 -77.3096 -46.1418 -46.1418 -41.6795 -41.6795 -41.6795 -41.6795 -22.5101 -22.5101 -16.4998 -16.4998 -16.2054 -16.2054 -16.2038 -16.2038 -6.1590 -6.1590 -5.8990 -5.8990 -5.8879 -5.8879 1.0621 1.0621 1.1323 1.1323 1.1475 1.1475 2.4530 2.4530 2.4658 2.4658 2.5032 2.5032 2.7398 2.7398 2.7700 2.7700 2.8047 2.8047 4.8251 4.8251 4.8617 4.8617 5.1606 5.1606 5.9440 5.9440 5.9504 5.9504 10.0510 10.0510 13.6492 13.6492 13.6506 13.6506 15.4966 15.4966 k = 0.1154 0.1154 0.1154 ( 3935 PWs) bands (ev): -77.3096 -77.3096 -46.1418 -46.1418 -41.6795 -41.6795 -41.6795 -41.6795 -22.5097 -22.5097 -16.4949 -16.4949 -16.2052 -16.2052 -16.2033 -16.2033 -6.1591 -6.1591 -5.8998 -5.8998 -5.8872 -5.8872 1.0403 1.0403 1.1099 1.1099 1.1262 1.1262 2.4086 2.4086 2.4293 2.4293 2.4672 2.4672 2.7361 2.7361 2.7660 2.7660 2.8115 2.8115 4.8526 4.8526 4.8921 4.8921 5.1869 5.1869 5.9959 5.9959 6.0025 6.0025 10.1239 10.1239 13.6817 13.6817 13.6833 13.6833 15.4700 15.4700 k = 0.1231 0.1231 0.1231 ( 3935 PWs) bands (ev): -77.3096 -77.3096 -46.1419 -46.1419 -41.6796 -41.6796 -41.6796 -41.6796 -22.5092 -22.5092 -16.4897 -16.4897 -16.2049 -16.2049 -16.2028 -16.2028 -6.1592 -6.1592 -5.9006 -5.9006 -5.8865 -5.8865 1.0172 1.0172 1.0863 1.0863 1.1036 1.1036 2.3627 2.3627 2.3919 2.3919 2.4304 2.4304 2.7333 2.7333 2.7630 2.7630 2.8188 2.8188 4.8809 4.8809 4.9231 4.9231 5.2140 5.2140 6.0500 6.0500 6.0567 6.0567 10.2003 10.2003 13.7158 13.7158 13.7176 13.7176 15.4442 15.4442 k = 0.1308 0.1308 0.1308 ( 3929 PWs) bands (ev): -77.3096 -77.3096 -46.1419 -46.1419 -41.6797 -41.6797 -41.6797 -41.6797 -22.5088 -22.5088 -16.4842 -16.4842 -16.2046 -16.2046 -16.2023 -16.2023 -6.1594 -6.1594 -5.9015 -5.9015 -5.8859 -5.8859 0.9930 0.9930 1.0616 1.0616 1.0798 1.0798 2.3157 2.3157 2.3539 2.3539 2.3932 2.3932 2.7314 2.7314 2.7608 2.7608 2.8266 2.8266 4.9100 4.9100 4.9547 4.9547 5.2418 5.2418 6.1062 6.1062 6.1130 6.1130 10.2801 10.2801 13.7513 13.7513 13.7534 13.7534 15.4195 15.4195 k = 0.1385 0.1385 0.1385 ( 3923 PWs) bands (ev): -77.3096 -77.3096 -46.1419 -46.1419 -41.6797 -41.6797 -41.6797 -41.6797 -22.5083 -22.5083 -16.4784 -16.4784 -16.2044 -16.2044 -16.2018 -16.2018 -6.1598 -6.1598 -5.9024 -5.9024 -5.8854 -5.8854 0.9675 0.9675 1.0358 1.0358 1.0549 1.0549 2.2678 2.2678 2.3153 2.3153 2.3554 2.3554 2.7303 2.7303 2.7596 2.7596 2.8348 2.8348 4.9397 4.9397 4.9866 4.9866 5.2704 5.2704 6.1642 6.1642 6.1710 6.1710 10.3631 10.3631 13.7882 13.7882 13.7906 13.7906 15.3962 15.3962 k = 0.1462 0.1462 0.1462 ( 3929 PWs) bands (ev): -77.3096 -77.3096 -46.1420 -46.1420 -41.6798 -41.6798 -41.6798 -41.6798 -22.5078 -22.5078 -16.4724 -16.4724 -16.2040 -16.2040 -16.2012 -16.2012 -6.1602 -6.1602 -5.9035 -5.9035 -5.8849 -5.8849 0.9410 0.9410 1.0090 1.0090 1.0287 1.0287 2.2194 2.2194 2.2764 2.2764 2.3173 2.3173 2.7302 2.7302 2.7594 2.7594 2.8432 2.8432 4.9698 4.9698 5.0187 5.0187 5.2994 5.2994 6.2239 6.2239 6.2305 6.2305 10.4490 10.4490 13.8261 13.8261 13.8289 13.8289 15.3745 15.3745 k = 0.1538 0.1538 0.1538 ( 3935 PWs) bands (ev): -77.3096 -77.3096 -46.1420 -46.1420 -41.6799 -41.6799 -41.6799 -41.6799 -22.5073 -22.5073 -16.4661 -16.4661 -16.2037 -16.2037 -16.2006 -16.2006 -6.1607 -6.1607 -5.9047 -5.9047 -5.8846 -5.8846 0.9135 0.9135 0.9813 0.9813 1.0016 1.0016 2.1707 2.1707 2.2373 2.2373 2.2790 2.2790 2.7311 2.7311 2.7602 2.7602 2.8521 2.8521 5.0004 5.0004 5.0510 5.0510 5.3288 5.3288 6.2851 6.2851 6.2914 6.2914 10.5376 10.5376 13.8650 13.8650 13.8682 13.8682 15.3546 15.3546 k = 0.1615 0.1615 0.1615 ( 3935 PWs) bands (ev): -77.3096 -77.3096 -46.1421 -46.1421 -41.6800 -41.6800 -41.6800 -41.6800 -22.5067 -22.5067 -16.4595 -16.4595 -16.2034 -16.2034 -16.1999 -16.1999 -6.1613 -6.1613 -5.9059 -5.9059 -5.8844 -5.8844 0.8850 0.8850 0.9527 0.9527 0.9735 0.9735 2.1221 2.1221 2.1981 2.1981 2.2405 2.2405 2.7331 2.7331 2.7620 2.7620 2.8613 2.8613 5.0314 5.0314 5.0833 5.0833 5.3586 5.3586 6.3476 6.3476 6.3537 6.3537 10.6286 10.6286 13.9046 13.9046 13.9083 13.9083 15.3367 15.3367 k = 0.1692 0.1692 0.1692 ( 3959 PWs) bands (ev): -77.3096 -77.3096 -46.1421 -46.1421 -41.6800 -41.6800 -41.6800 -41.6800 -22.5062 -22.5062 -16.4527 -16.4527 -16.2031 -16.2031 -16.1993 -16.1993 -6.1620 -6.1620 -5.9073 -5.9073 -5.8843 -5.8843 0.8556 0.8556 0.9233 0.9233 0.9445 0.9445 2.0735 2.0735 2.1590 2.1590 2.2020 2.2020 2.7361 2.7361 2.7648 2.7648 2.8707 2.8707 5.0625 5.0625 5.1156 5.1156 5.3887 5.3887 6.4110 6.4110 6.4168 6.4168 10.7219 10.7219 13.9447 13.9447 13.9490 13.9490 15.3208 15.3208 k = 0.1769 0.1769 0.1769 ( 3959 PWs) bands (ev): -77.3096 -77.3096 -46.1421 -46.1421 -41.6801 -41.6801 -41.6801 -41.6801 -22.5056 -22.5056 -16.4457 -16.4457 -16.2027 -16.2027 -16.1986 -16.1986 -6.1629 -6.1629 -5.9087 -5.9087 -5.8844 -5.8844 0.8254 0.8254 0.8933 0.8933 0.9148 0.9148 2.0254 2.0254 2.1201 2.1201 2.1636 2.1636 2.7401 2.7401 2.7687 2.7687 2.8805 2.8805 5.0940 5.0940 5.1480 5.1480 5.4190 5.4190 6.4757 6.4757 6.4811 6.4811 10.8172 10.8172 13.9851 13.9851 13.9900 13.9900 15.3069 15.3069 k = 0.1846 0.1846 0.1846 ( 3959 PWs) bands (ev): -77.3096 -77.3096 -46.1422 -46.1422 -41.6802 -41.6802 -41.6802 -41.6802 -22.5051 -22.5051 -16.4384 -16.4384 -16.2023 -16.2023 -16.1979 -16.1979 -6.1639 -6.1639 -5.9103 -5.9103 -5.8847 -5.8847 0.7945 0.7945 0.8627 0.8627 0.8844 0.8844 1.9780 1.9780 2.0814 2.0814 2.1255 2.1255 2.7452 2.7452 2.7737 2.7737 2.8905 2.8905 5.1256 5.1256 5.1802 5.1802 5.4495 5.4495 6.5412 6.5412 6.5462 6.5462 10.9143 10.9143 14.0254 14.0254 14.0311 14.0311 15.2953 15.2953 k = 0.1923 0.1923 0.1923 ( 3950 PWs) bands (ev): -77.3096 -77.3096 -46.1422 -46.1422 -41.6803 -41.6803 -41.6803 -41.6803 -22.5045 -22.5045 -16.4309 -16.4309 -16.2019 -16.2019 -16.1972 -16.1972 -6.1650 -6.1650 -5.9119 -5.9119 -5.8851 -5.8851 0.7629 0.7629 0.8317 0.8317 0.8535 0.8535 1.9313 1.9313 2.0432 2.0432 2.0875 2.0875 2.7513 2.7513 2.7797 2.7797 2.9008 2.9008 5.1575 5.1575 5.2122 5.2122 5.4801 5.4801 6.6075 6.6075 6.6120 6.6120 11.0129 11.0129 14.0652 14.0652 14.0718 14.0718 15.2858 15.2858 k = 0.2000 0.2000 0.2000 ( 3956 PWs) bands (ev): -77.3096 -77.3096 -46.1423 -46.1423 -41.6804 -41.6804 -41.6804 -41.6804 -22.5040 -22.5040 -16.4233 -16.4233 -16.2015 -16.2015 -16.1965 -16.1965 -6.1663 -6.1663 -5.9137 -5.9137 -5.8858 -5.8858 0.7307 0.7307 0.8002 0.8002 0.8221 0.8221 1.8856 1.8856 2.0053 2.0053 2.0500 2.0500 2.7584 2.7584 2.7866 2.7866 2.9112 2.9112 5.1891 5.1891 5.2439 5.2439 5.5105 5.5105 6.6743 6.6743 6.6783 6.6783 11.1128 11.1128 14.1042 14.1042 14.1118 14.1118 15.2785 15.2785 k = 0.2077 0.2077 0.2077 ( 3959 PWs) bands (ev): -77.3096 -77.3096 -46.1423 -46.1423 -41.6805 -41.6805 -41.6805 -41.6805 -22.5034 -22.5034 -16.4155 -16.4155 -16.2011 -16.2011 -16.1957 -16.1957 -6.1677 -6.1677 -5.9155 -5.9155 -5.8866 -5.8866 0.6978 0.6978 0.7684 0.7684 0.7903 0.7903 1.8409 1.8409 1.9680 1.9680 2.0129 2.0129 2.7664 2.7664 2.7945 2.7945 2.9219 2.9219 5.2208 5.2208 5.2754 5.2754 5.5410 5.5410 6.7416 6.7416 6.7450 6.7450 11.2138 11.2138 14.1419 14.1419 14.1507 14.1507 15.2734 15.2734 k = 0.2154 0.2154 0.2154 ( 3953 PWs) bands (ev): -77.3096 -77.3096 -46.1424 -46.1424 -41.6806 -41.6806 -41.6805 -41.6805 -22.5028 -22.5028 -16.4075 -16.4075 -16.2007 -16.2007 -16.1950 -16.1950 -6.1692 -6.1692 -5.9175 -5.9175 -5.8877 -5.8877 0.6645 0.6645 0.7365 0.7365 0.7583 0.7583 1.7976 1.7976 1.9313 1.9313 1.9762 1.9762 2.7755 2.7755 2.8034 2.8034 2.9328 2.9328 5.2524 5.2524 5.3066 5.3066 5.5714 5.5714 6.8092 6.8092 6.8122 6.8122 11.3156 11.3156 14.1776 14.1776 14.1879 14.1879 15.2704 15.2704 k = 0.2231 0.2231 0.2231 ( 3959 PWs) bands (ev): -77.3096 -77.3096 -46.1424 -46.1424 -41.6806 -41.6806 -41.6806 -41.6806 -22.5023 -22.5023 -16.3994 -16.3994 -16.2002 -16.2002 -16.1942 -16.1942 -6.1709 -6.1709 -5.9196 -5.9196 -5.8890 -5.8890 0.6306 0.6306 0.7044 0.7044 0.7261 0.7261 1.7557 1.7557 1.8952 1.8952 1.9402 1.9402 2.7853 2.7853 2.8131 2.8131 2.9438 2.9438 5.2838 5.2838 5.3374 5.3374 5.6015 5.6015 6.8770 6.8770 6.8794 6.8794 11.4180 11.4180 14.2107 14.2107 14.2227 14.2227 15.2695 15.2695 k = 0.2308 0.2308 0.2308 ( 3941 PWs) bands (ev): -77.3096 -77.3096 -46.1424 -46.1424 -41.6807 -41.6807 -41.6807 -41.6807 -22.5017 -22.5017 -16.3911 -16.3911 -16.1997 -16.1997 -16.1934 -16.1934 -6.1727 -6.1727 -5.9217 -5.9217 -5.8906 -5.8906 0.5964 0.5964 0.6724 0.6724 0.6938 0.6938 1.7154 1.7154 1.8599 1.8599 1.9048 1.9048 2.7961 2.7961 2.8237 2.8237 2.9549 2.9549 5.3151 5.3151 5.3679 5.3679 5.6315 5.6315 6.9449 6.9449 6.9468 6.9468 11.5207 11.5207 14.2405 14.2405 14.2544 14.2544 15.2707 15.2707 k = 0.2385 0.2385 0.2385 ( 3953 PWs) bands (ev): -77.3096 -77.3096 -46.1425 -46.1425 -41.6808 -41.6808 -41.6808 -41.6808 -22.5012 -22.5012 -16.3828 -16.3828 -16.1993 -16.1993 -16.1926 -16.1926 -6.1746 -6.1746 -5.9240 -5.9240 -5.8924 -5.8924 0.5618 0.5618 0.6404 0.6404 0.6615 0.6615 1.6765 1.6765 1.8252 1.8252 1.8700 1.8700 2.8076 2.8076 2.8350 2.8350 2.9661 2.9661 5.3460 5.3460 5.3978 5.3978 5.6611 5.6611 7.0126 7.0126 7.0140 7.0140 11.6235 11.6235 14.2661 14.2661 14.2821 14.2821 15.2738 15.2738 k = 0.2462 0.2462 0.2462 ( 3929 PWs) bands (ev): -77.3096 -77.3096 -46.1425 -46.1425 -41.6809 -41.6809 -41.6809 -41.6809 -22.5006 -22.5006 -16.3743 -16.3743 -16.1988 -16.1988 -16.1918 -16.1918 -6.1767 -6.1767 -5.9263 -5.9263 -5.8944 -5.8944 0.5269 0.5269 0.6088 0.6088 0.6294 0.6294 1.6394 1.6394 1.7914 1.7914 1.8361 1.8361 2.8199 2.8199 2.8471 2.8471 2.9774 2.9774 5.3767 5.3767 5.4274 5.4274 5.6906 5.6906 7.0804 7.0804 7.0812 7.0812 11.7261 11.7261 14.2865 14.2865 14.3051 14.3051 15.2788 15.2788 k = 0.2538 0.2538 0.2538 ( 3932 PWs) bands (ev): -77.3096 -77.3096 -46.1426 -46.1426 -41.6810 -41.6810 -41.6810 -41.6810 -22.5001 -22.5001 -16.3658 -16.3658 -16.1983 -16.1983 -16.1909 -16.1909 -6.1790 -6.1790 -5.9288 -5.9288 -5.8967 -5.8967 0.4918 0.4918 0.5772 0.5772 0.5973 0.5973 1.6041 1.6041 1.7584 1.7584 1.8029 1.8029 2.8328 2.8328 2.8599 2.8599 2.9888 2.9888 5.4069 5.4069 5.4563 5.4563 5.7195 5.7195 7.1477 7.1477 7.1481 7.1481 11.8281 11.8281 14.3009 14.3009 14.3224 14.3224 15.2857 15.2857 k = 0.2615 0.2615 0.2615 ( 3938 PWs) bands (ev): -77.3096 -77.3096 -46.1426 -46.1426 -41.6811 -41.6811 -41.6811 -41.6811 -22.4995 -22.4995 -16.3573 -16.3573 -16.1978 -16.1978 -16.1901 -16.1901 -6.1813 -6.1813 -5.9313 -5.9313 -5.8992 -5.8992 0.4564 0.4564 0.5460 0.5460 0.5655 0.5655 1.5706 1.5706 1.7261 1.7261 1.7705 1.7705 2.8464 2.8464 2.8732 2.8732 3.0001 3.0001 5.4367 5.4367 5.4847 5.4847 5.7480 5.7480 7.2146 7.2146 7.2147 7.2147 11.9295 11.9295 14.3086 14.3086 14.3332 14.3332 15.2942 15.2942 k = 0.2692 0.2692 0.2692 ( 3941 PWs) bands (ev): -77.3096 -77.3096 -46.1427 -46.1427 -41.6812 -41.6812 -41.6812 -41.6812 -22.4990 -22.4990 -16.3487 -16.3487 -16.1973 -16.1973 -16.1893 -16.1893 -6.1838 -6.1838 -5.9339 -5.9339 -5.9020 -5.9020 0.4210 0.4210 0.5153 0.5153 0.5341 0.5341 1.5390 1.5390 1.6948 1.6948 1.7389 1.7389 2.8605 2.8605 2.8872 2.8872 3.0114 3.0114 5.4660 5.4660 5.5125 5.5125 5.7760 5.7760 7.2806 7.2806 7.2811 7.2811 12.0297 12.0297 14.3090 14.3090 14.3368 14.3368 15.3045 15.3045 k = 0.2769 0.2769 0.2769 ( 3941 PWs) bands (ev): -77.3096 -77.3096 -46.1427 -46.1427 -41.6813 -41.6813 -41.6812 -41.6812 -22.4985 -22.4985 -16.3401 -16.3401 -16.1968 -16.1968 -16.1885 -16.1885 -6.1864 -6.1864 -5.9365 -5.9365 -5.9049 -5.9049 0.3856 0.3856 0.4850 0.4850 0.5030 0.5030 1.5092 1.5092 1.6644 1.6644 1.7082 1.7082 2.8751 2.8751 2.9016 2.9016 3.0227 3.0227 5.4949 5.4949 5.5397 5.5397 5.8035 5.8035 7.3461 7.3461 7.3470 7.3470 12.1286 12.1286 14.3019 14.3019 14.3330 14.3330 15.3163 15.3163 k = 0.2846 0.2846 0.2846 ( 3935 PWs) bands (ev): -77.3095 -77.3095 -46.1427 -46.1427 -41.6813 -41.6813 -41.6813 -41.6813 -22.4980 -22.4980 -16.3316 -16.3316 -16.1963 -16.1963 -16.1876 -16.1876 -6.1891 -6.1891 -5.9392 -5.9392 -5.9081 -5.9081 0.3504 0.3504 0.4552 0.4552 0.4724 0.4724 1.4813 1.4813 1.6350 1.6350 1.6786 1.6786 2.8901 2.8901 2.9165 2.9165 3.0340 3.0340 5.5232 5.5232 5.5662 5.5662 5.8305 5.8305 7.4109 7.4109 7.4122 7.4122 12.2259 12.2259 14.2876 14.2876 14.3219 14.3219 15.3297 15.3297 k = 0.2923 0.2923 0.2923 ( 3947 PWs) bands (ev): -77.3096 -77.3096 -46.1428 -46.1428 -41.6814 -41.6814 -41.6814 -41.6814 -22.4975 -22.4975 -16.3231 -16.3231 -16.1958 -16.1958 -16.1868 -16.1868 -6.1919 -6.1919 -5.9420 -5.9420 -5.9115 -5.9115 0.3153 0.3153 0.4260 0.4260 0.4424 0.4424 1.4553 1.4553 1.6065 1.6065 1.6498 1.6498 2.9055 2.9055 2.9317 2.9317 3.0451 3.0451 5.5509 5.5509 5.5920 5.5920 5.8568 5.8568 7.4748 7.4748 7.4765 7.4765 12.3211 12.3211 14.2664 14.2664 14.3039 14.3039 15.3444 15.3444 k = 0.3000 0.3000 0.3000 ( 3947 PWs) bands (ev): -77.3096 -77.3096 -46.1428 -46.1428 -41.6815 -41.6815 -41.6815 -41.6815 -22.4970 -22.4970 -16.3146 -16.3146 -16.1953 -16.1953 -16.1860 -16.1860 -6.1948 -6.1948 -5.9448 -5.9448 -5.9151 -5.9151 0.2805 0.2805 0.3974 0.3974 0.4130 0.4130 1.4312 1.4312 1.5790 1.5790 1.6219 1.6219 2.9212 2.9212 2.9472 2.9472 3.0561 3.0561 5.5781 5.5781 5.6172 5.6172 5.8825 5.8825 7.5379 7.5379 7.5398 7.5398 12.4139 12.4139 14.2392 14.2392 14.2795 14.2795 15.3606 15.3606 k = 0.3077 0.3077 0.3077 ( 3944 PWs) bands (ev): -77.3096 -77.3096 -46.1429 -46.1429 -41.6816 -41.6816 -41.6816 -41.6816 -22.4965 -22.4965 -16.3062 -16.3062 -16.1947 -16.1947 -16.1852 -16.1852 -6.1977 -6.1977 -5.9476 -5.9476 -5.9189 -5.9189 0.2461 0.2461 0.3696 0.3696 0.3842 0.3842 1.4089 1.4089 1.5525 1.5525 1.5951 1.5951 2.9371 2.9371 2.9630 2.9630 3.0670 3.0670 5.6046 5.6046 5.6416 5.6416 5.9077 5.9077 7.6000 7.6000 7.6022 7.6022 12.5041 12.5041 14.2067 14.2067 14.2497 14.2497 15.3780 15.3780 k = 0.3154 0.3154 0.3154 ( 3944 PWs) bands (ev): -77.3095 -77.3095 -46.1429 -46.1429 -41.6817 -41.6817 -41.6817 -41.6817 -22.4960 -22.4960 -16.2980 -16.2980 -16.1942 -16.1942 -16.1844 -16.1844 -6.2008 -6.2008 -5.9505 -5.9505 -5.9228 -5.9228 0.2122 0.2122 0.3425 0.3425 0.3562 0.3562 1.3885 1.3885 1.5270 1.5270 1.5693 1.5693 2.9531 2.9531 2.9789 2.9789 3.0778 3.0778 5.6303 5.6303 5.6653 5.6653 5.9321 5.9321 7.6610 7.6610 7.6633 7.6633 12.5912 12.5912 14.1699 14.1699 14.2153 14.2153 15.3967 15.3967 k = 0.3231 0.3231 0.3231 ( 3950 PWs) bands (ev): -77.3095 -77.3095 -46.1430 -46.1430 -41.6818 -41.6818 -41.6818 -41.6818 -22.4956 -22.4956 -16.2898 -16.2898 -16.1936 -16.1936 -16.1836 -16.1836 -6.2038 -6.2038 -5.9533 -5.9533 -5.9268 -5.9268 0.1788 0.1788 0.3162 0.3162 0.3289 0.3289 1.3697 1.3697 1.5025 1.5025 1.5445 1.5445 2.9692 2.9692 2.9949 2.9949 3.0883 3.0883 5.6553 5.6553 5.6882 5.6882 5.9557 5.9557 7.7207 7.7207 7.7232 7.7232 12.6750 12.6750 14.1296 14.1296 14.1773 14.1773 15.4167 15.4167 k = 0.3308 0.3308 0.3308 ( 3950 PWs) bands (ev): -77.3095 -77.3095 -46.1430 -46.1430 -41.6818 -41.6818 -41.6818 -41.6818 -22.4952 -22.4952 -16.2819 -16.2819 -16.1931 -16.1931 -16.1828 -16.1828 -6.2070 -6.2070 -5.9562 -5.9562 -5.9309 -5.9309 0.1461 0.1461 0.2907 0.2907 0.3025 0.3025 1.3526 1.3526 1.4790 1.4790 1.5208 1.5208 2.9853 2.9853 3.0109 3.0109 3.0986 3.0986 5.6795 5.6795 5.7103 5.7103 5.9786 5.9786 7.7791 7.7791 7.7817 7.7817 12.7549 12.7549 14.0867 14.0867 14.1363 14.1363 15.4378 15.4378 k = 0.3385 0.3385 0.3385 ( 3947 PWs) bands (ev): -77.3095 -77.3095 -46.1430 -46.1430 -41.6819 -41.6819 -41.6819 -41.6819 -22.4948 -22.4948 -16.2741 -16.2741 -16.1925 -16.1925 -16.1821 -16.1821 -6.2101 -6.2101 -5.9590 -5.9590 -5.9351 -5.9351 0.1142 0.1142 0.2662 0.2662 0.2770 0.2770 1.3371 1.3371 1.4566 1.4566 1.4982 1.4982 3.0014 3.0014 3.0268 3.0268 3.1087 3.1087 5.7030 5.7030 5.7316 5.7316 6.0008 6.0008 7.8361 7.8361 7.8387 7.8387 12.8308 12.8308 14.0419 14.0419 14.0933 14.0933 15.4601 15.4601 k = 0.3462 0.3462 0.3462 ( 3960 PWs) bands (ev): -77.3096 -77.3096 -46.1431 -46.1431 -41.6820 -41.6820 -41.6820 -41.6820 -22.4944 -22.4944 -16.2665 -16.2665 -16.1920 -16.1920 -16.1813 -16.1813 -6.2133 -6.2133 -5.9618 -5.9618 -5.9394 -5.9394 0.0832 0.0832 0.2424 0.2424 0.2524 0.2524 1.3231 1.3231 1.4352 1.4352 1.4765 1.4765 3.0172 3.0172 3.0426 3.0426 3.1186 3.1186 5.7254 5.7254 5.7520 5.7520 6.0220 6.0220 7.8914 7.8914 7.8942 7.8942 12.9023 12.9023 13.9958 13.9958 14.0488 14.0488 15.4836 15.4836 k = 0.3538 0.3538 0.3538 ( 3954 PWs) bands (ev): -77.3095 -77.3095 -46.1431 -46.1431 -41.6821 -41.6821 -41.6821 -41.6821 -22.4940 -22.4940 -16.2591 -16.2591 -16.1914 -16.1914 -16.1806 -16.1806 -6.2164 -6.2164 -5.9646 -5.9646 -5.9437 -5.9437 0.0531 0.0531 0.2197 0.2197 0.2287 0.2287 1.3105 1.3105 1.4148 1.4148 1.4560 1.4560 3.0329 3.0329 3.0582 3.0582 3.1281 3.1281 5.7472 5.7472 5.7716 5.7716 6.0425 6.0425 7.9452 7.9452 7.9479 7.9479 12.9690 12.9690 13.9490 13.9490 14.0035 14.0035 15.5083 15.5083 k = 0.3615 0.3615 0.3615 ( 3954 PWs) bands (ev): -77.3095 -77.3095 -46.1432 -46.1432 -41.6821 -41.6821 -41.6821 -41.6821 -22.4936 -22.4936 -16.2520 -16.2520 -16.1908 -16.1908 -16.1799 -16.1799 -6.2196 -6.2196 -5.9673 -5.9673 -5.9480 -5.9480 0.0241 0.0241 0.1978 0.1978 0.2060 0.2060 1.2994 1.2994 1.3955 1.3955 1.4366 1.4366 3.0482 3.0482 3.0736 3.0736 3.1374 3.1374 5.7680 5.7680 5.7903 5.7903 6.0621 6.0621 7.9971 7.9971 7.9998 7.9998 13.0308 13.0308 13.9021 13.9021 13.9579 13.9579 15.5341 15.5341 k = 0.3692 0.3692 0.3692 ( 3960 PWs) bands (ev): -77.3095 -77.3095 -46.1432 -46.1432 -41.6822 -41.6822 -41.6822 -41.6822 -22.4933 -22.4933 -16.2452 -16.2452 -16.1902 -16.1902 -16.1792 -16.1792 -6.2227 -6.2227 -5.9700 -5.9700 -5.9522 -5.9522 -0.0039 -0.0039 0.1771 0.1771 0.1844 0.1844 1.2894 1.2894 1.3772 1.3772 1.4182 1.4182 3.0632 3.0632 3.0886 3.0886 3.1463 3.1463 5.7879 5.7879 5.8081 5.8081 6.0808 6.0808 8.0471 8.0471 8.0497 8.0497 13.0875 13.0875 13.8555 13.8555 13.9124 13.9124 15.5610 15.5610 k = 0.3769 0.3769 0.3769 ( 3948 PWs) bands (ev): -77.3095 -77.3095 -46.1432 -46.1432 -41.6823 -41.6823 -41.6823 -41.6823 -22.4930 -22.4930 -16.2388 -16.2388 -16.1895 -16.1895 -16.1786 -16.1786 -6.2257 -6.2257 -5.9726 -5.9726 -5.9564 -5.9564 -0.0306 -0.0306 0.1574 0.1574 0.1639 0.1639 1.2806 1.2806 1.3601 1.3601 1.4011 1.4011 3.0778 3.0778 3.1032 3.1032 3.1549 3.1549 5.8068 5.8068 5.8250 5.8250 6.0986 6.0986 8.0952 8.0952 8.0977 8.0977 13.1388 13.1388 13.8097 13.8097 13.8675 13.8675 15.5890 15.5890 k = 0.3846 0.3846 0.3846 ( 3960 PWs) bands (ev): -77.3095 -77.3095 -46.1433 -46.1433 -41.6823 -41.6823 -41.6823 -41.6823 -22.4927 -22.4927 -16.2326 -16.2326 -16.1889 -16.1889 -16.1780 -16.1780 -6.2287 -6.2287 -5.9751 -5.9751 -5.9605 -5.9605 -0.0562 -0.0562 0.1387 0.1387 0.1445 0.1445 1.2728 1.2728 1.3439 1.3439 1.3849 1.3849 3.0917 3.0917 3.1172 3.1172 3.1631 3.1631 5.8246 5.8246 5.8409 5.8409 6.1153 6.1153 8.1410 8.1410 8.1434 8.1434 13.1846 13.1846 13.7650 13.7650 13.8236 13.8236 15.6179 15.6179 k = 0.3923 0.3923 0.3923 ( 3960 PWs) bands (ev): -77.3095 -77.3095 -46.1433 -46.1433 -41.6824 -41.6824 -41.6824 -41.6824 -22.4924 -22.4924 -16.2269 -16.2269 -16.1881 -16.1881 -16.1774 -16.1774 -6.2315 -6.2315 -5.9775 -5.9775 -5.9645 -5.9645 -0.0803 -0.0803 0.1211 0.1211 0.1261 0.1261 1.2660 1.2660 1.3288 1.3288 1.3699 1.3699 3.1051 3.1051 3.1308 3.1308 3.1710 3.1710 5.8415 5.8415 5.8559 5.8559 6.1312 6.1312 8.1847 8.1847 8.1869 8.1869 13.2251 13.2251 13.7219 13.7219 13.7809 13.7809 15.6477 15.6477 k = 0.4000 0.4000 0.4000 ( 3975 PWs) bands (ev): -77.3096 -77.3096 -46.1433 -46.1433 -41.6825 -41.6825 -41.6824 -41.6824 -22.4921 -22.4921 -16.2216 -16.2216 -16.1873 -16.1873 -16.1768 -16.1768 -6.2343 -6.2343 -5.9798 -5.9798 -5.9683 -5.9683 -0.1031 -0.1031 0.1045 0.1045 0.1089 0.1089 1.2600 1.2600 1.3148 1.3148 1.3561 1.3561 3.1178 3.1178 3.1436 3.1436 3.1785 3.1785 5.8572 5.8572 5.8699 5.8699 6.1459 6.1459 8.2259 8.2259 8.2279 8.2279 13.2603 13.2603 13.6806 13.6806 13.7399 13.7399 15.6782 15.6782 k = 0.4077 0.4077 0.4077 ( 3951 PWs) bands (ev): -77.3095 -77.3095 -46.1433 -46.1433 -41.6825 -41.6825 -41.6825 -41.6825 -22.4919 -22.4919 -16.2167 -16.2167 -16.1864 -16.1864 -16.1763 -16.1763 -6.2370 -6.2370 -5.9819 -5.9819 -5.9720 -5.9720 -0.1244 -0.1244 0.0893 0.0893 0.0930 0.0930 1.2549 1.2549 1.3019 1.3019 1.3435 1.3435 3.1299 3.1299 3.1560 3.1560 3.1857 3.1857 5.8720 5.8720 5.8830 5.8830 6.1599 6.1599 8.2648 8.2648 8.2666 8.2666 13.2903 13.2903 13.6417 13.6417 13.7008 13.7008 15.7092 15.7092 k = 0.4154 0.4154 0.4154 ( 3945 PWs) bands (ev): -77.3095 -77.3095 -46.1434 -46.1434 -41.6825 -41.6825 -41.6825 -41.6825 -22.4917 -22.4917 -16.2123 -16.2123 -16.1854 -16.1854 -16.1758 -16.1758 -6.2395 -6.2395 -5.9840 -5.9840 -5.9755 -5.9755 -0.1441 -0.1441 0.0751 0.0751 0.0783 0.0783 1.2504 1.2504 1.2899 1.2899 1.3319 1.3319 3.1410 3.1410 3.1675 3.1675 3.1923 3.1923 5.8857 5.8857 5.8950 5.8950 6.1727 6.1727 8.3010 8.3010 8.3026 8.3026 13.3151 13.3151 13.6053 13.6053 13.6638 13.6638 15.7404 15.7404 k = 0.4231 0.4231 0.4231 ( 3939 PWs) bands (ev): -77.3095 -77.3095 -46.1434 -46.1434 -41.6826 -41.6826 -41.6826 -41.6826 -22.4915 -22.4915 -16.2085 -16.2085 -16.1843 -16.1843 -16.1754 -16.1754 -6.2418 -6.2418 -5.9859 -5.9859 -5.9787 -5.9787 -0.1623 -0.1623 0.0621 0.0621 0.0647 0.0647 1.2465 1.2465 1.2790 1.2790 1.3216 1.3216 3.1514 3.1514 3.1782 3.1782 3.1986 3.1986 5.8984 5.8984 5.9061 5.9061 6.1845 6.1845 8.3345 8.3345 8.3359 8.3359 13.3352 13.3352 13.5719 13.5719 13.6293 13.6293 15.7714 15.7714 k = 0.4308 0.4308 0.4308 ( 3945 PWs) bands (ev): -77.3095 -77.3095 -46.1434 -46.1434 -41.6826 -41.6826 -41.6826 -41.6826 -22.4913 -22.4913 -16.2053 -16.2053 -16.1830 -16.1830 -16.1749 -16.1749 -6.2440 -6.2440 -5.9876 -5.9876 -5.9818 -5.9818 -0.1790 -0.1790 0.0502 0.0502 0.0523 0.0523 1.2429 1.2429 1.2692 1.2692 1.3124 1.3124 3.1607 3.1607 3.1881 3.1881 3.2044 3.2044 5.9098 5.9098 5.9161 5.9161 6.1952 6.1952 8.3652 8.3652 8.3663 8.3663 13.3505 13.3505 13.5421 13.5421 13.5973 13.5973 15.8017 15.8017 k = 0.4385 0.4385 0.4385 ( 3945 PWs) bands (ev): -77.3095 -77.3095 -46.1434 -46.1434 -41.6827 -41.6827 -41.6826 -41.6826 -22.4911 -22.4911 -16.2026 -16.2026 -16.1815 -16.1815 -16.1746 -16.1746 -6.2460 -6.2460 -5.9892 -5.9892 -5.9845 -5.9845 -0.1940 -0.1940 0.0396 0.0396 0.0412 0.0412 1.2398 1.2398 1.2604 1.2604 1.3043 1.3043 3.1692 3.1692 3.1970 3.1970 3.2098 3.2098 5.9201 5.9201 5.9251 5.9251 6.2048 6.2048 8.3929 8.3929 8.3939 8.3939 13.3611 13.3611 13.5163 13.5163 13.5682 13.5682 15.8311 15.8311 k = 0.4462 0.4462 0.4462 ( 3951 PWs) bands (ev): -77.3095 -77.3095 -46.1434 -46.1434 -41.6827 -41.6827 -41.6827 -41.6827 -22.4909 -22.4909 -16.2005 -16.2005 -16.1800 -16.1800 -16.1742 -16.1742 -6.2478 -6.2478 -5.9906 -5.9906 -5.9870 -5.9870 -0.2073 -0.2073 0.0301 0.0301 0.0314 0.0314 1.2370 1.2370 1.2526 1.2526 1.2974 1.2974 3.1766 3.1766 3.2051 3.2051 3.2146 3.2146 5.9292 5.9292 5.9330 5.9330 6.2133 6.2133 8.4176 8.4176 8.4183 8.4183 13.3672 13.3672 13.4952 13.4952 13.5420 13.5420 15.8588 15.8588 k = 0.4538 0.4538 0.4538 ( 3948 PWs) bands (ev): -77.3095 -77.3095 -46.1434 -46.1434 -41.6827 -41.6827 -41.6827 -41.6827 -22.4908 -22.4908 -16.1988 -16.1988 -16.1785 -16.1785 -16.1740 -16.1740 -6.2494 -6.2494 -5.9919 -5.9919 -5.9892 -5.9892 -0.2189 -0.2189 0.0220 0.0220 0.0230 0.0230 1.2346 1.2346 1.2459 1.2459 1.2916 1.2916 3.1830 3.1830 3.2121 3.2121 3.2190 3.2190 5.9371 5.9371 5.9399 5.9399 6.2207 6.2207 8.4392 8.4392 8.4398 8.4398 13.3687 13.3687 13.4791 13.4791 13.5190 13.5190 15.8845 15.8845 k = 0.4615 0.4615 0.4615 ( 3936 PWs) bands (ev): -77.3095 -77.3095 -46.1434 -46.1434 -41.6827 -41.6827 -41.6827 -41.6827 -22.4907 -22.4907 -16.1976 -16.1976 -16.1770 -16.1770 -16.1737 -16.1737 -6.2508 -6.2508 -5.9929 -5.9929 -5.9911 -5.9911 -0.2288 -0.2288 0.0152 0.0152 0.0158 0.0158 1.2325 1.2325 1.2402 1.2402 1.2868 1.2868 3.1884 3.1884 3.2182 3.2182 3.2230 3.2230 5.9438 5.9438 5.9459 5.9459 6.2270 6.2270 8.4577 8.4577 8.4581 8.4581 13.3665 13.3665 13.4681 13.4681 13.4993 13.4993 15.9074 15.9074 k = 0.4692 0.4692 0.4692 ( 3933 PWs) bands (ev): -77.3095 -77.3095 -46.1435 -46.1435 -41.6828 -41.6828 -41.6827 -41.6827 -22.4906 -22.4906 -16.1966 -16.1966 -16.1757 -16.1757 -16.1735 -16.1735 -6.2519 -6.2519 -5.9938 -5.9938 -5.9926 -5.9926 -0.2369 -0.2369 0.0095 0.0095 0.0099 0.0099 1.2307 1.2307 1.2356 1.2356 1.2831 1.2831 3.1928 3.1928 3.2231 3.2231 3.2262 3.2262 5.9493 5.9493 5.9507 5.9507 6.2322 6.2322 8.4729 8.4729 8.4732 8.4732 13.3618 13.3618 13.4612 13.4612 13.4831 13.4831 15.9272 15.9272 k = 0.4769 0.4769 0.4769 ( 3921 PWs) bands (ev): -77.3095 -77.3095 -46.1435 -46.1435 -41.6828 -41.6828 -41.6828 -41.6828 -22.4905 -22.4905 -16.1960 -16.1960 -16.1746 -16.1746 -16.1733 -16.1733 -6.2528 -6.2528 -5.9945 -5.9945 -5.9938 -5.9938 -0.2432 -0.2432 0.0052 0.0052 0.0054 0.0054 1.2293 1.2293 1.2320 1.2320 1.2803 1.2803 3.1962 3.1962 3.2271 3.2271 3.2288 3.2288 5.9536 5.9536 5.9544 5.9544 6.2362 6.2362 8.4848 8.4848 8.4850 8.4850 13.3562 13.3562 13.4573 13.4573 13.4703 13.4703 15.9432 15.9432 k = 0.4846 0.4846 0.4846 ( 3912 PWs) bands (ev): -77.3095 -77.3095 -46.1435 -46.1435 -41.6828 -41.6828 -41.6828 -41.6828 -22.4905 -22.4905 -16.1955 -16.1955 -16.1738 -16.1738 -16.1732 -16.1732 -6.2534 -6.2534 -5.9950 -5.9950 -5.9947 -5.9947 -0.2477 -0.2477 0.0020 0.0020 0.0021 0.0021 1.2282 1.2282 1.2294 1.2294 1.2784 1.2784 3.1986 3.1986 3.2299 3.2299 3.2307 3.2307 5.9568 5.9568 5.9571 5.9571 6.2391 6.2391 8.4934 8.4934 8.4935 8.4935 13.3514 13.3514 13.4551 13.4551 13.4611 13.4611 15.9550 15.9550 k = 0.4923 0.4923 0.4923 ( 3912 PWs) bands (ev): -77.3095 -77.3095 -46.1435 -46.1435 -41.6828 -41.6828 -41.6828 -41.6828 -22.4905 -22.4905 -16.1953 -16.1953 -16.1733 -16.1733 -16.1731 -16.1731 -6.2538 -6.2538 -5.9953 -5.9953 -5.9952 -5.9952 -0.2504 -0.2504 0.0001 0.0001 0.0001 0.0001 1.2276 1.2276 1.2279 1.2279 1.2772 1.2772 3.2001 3.2001 3.2316 3.2316 3.2318 3.2318 5.9586 5.9586 5.9587 5.9587 6.2408 6.2408 8.4985 8.4985 8.4985 8.4985 13.3481 13.3481 13.4541 13.4541 13.4556 13.4556 15.9622 15.9622 k = 0.5000 0.5000 0.5000 ( 3912 PWs) bands (ev): -77.3095 -77.3095 -46.1435 -46.1435 -41.6828 -41.6828 -41.6828 -41.6828 -22.4905 -22.4905 -16.1952 -16.1952 -16.1731 -16.1731 -16.1731 -16.1731 -6.2539 -6.2539 -5.9954 -5.9954 -5.9954 -5.9954 -0.2513 -0.2513 -0.0005 -0.0005 -0.0005 -0.0005 1.2274 1.2274 1.2274 1.2274 1.2768 1.2768 3.2005 3.2005 3.2322 3.2322 3.2322 3.2322 5.9592 5.9592 5.9592 5.9592 6.2414 6.2414 8.5002 8.5002 8.5002 8.5002 13.3469 13.3469 13.4538 13.4538 13.4538 13.4538 15.9647 15.9647 k = 0.5000 0.5000 0.5000 ( 3912 PWs) bands (ev): -77.3095 -77.3095 -46.1435 -46.1435 -41.6828 -41.6828 -41.6828 -41.6828 -22.4905 -22.4905 -16.1952 -16.1952 -16.1731 -16.1731 -16.1731 -16.1731 -6.2539 -6.2539 -5.9954 -5.9954 -5.9954 -5.9954 -0.2513 -0.2513 -0.0005 -0.0005 -0.0005 -0.0005 1.2274 1.2274 1.2274 1.2274 1.2768 1.2768 3.2005 3.2005 3.2322 3.2322 3.2322 3.2322 5.9592 5.9592 5.9592 5.9592 6.2414 6.2414 8.5002 8.5002 8.5002 8.5002 13.3469 13.3469 13.4538 13.4538 13.4538 13.4538 15.9647 15.9647 k = 0.4906 0.5000 0.4906 ( 3912 PWs) bands (ev): -77.3095 -77.3095 -46.1435 -46.1435 -41.6828 -41.6828 -41.6828 -41.6828 -22.4905 -22.4905 -16.1953 -16.1953 -16.1733 -16.1733 -16.1731 -16.1731 -6.2538 -6.2538 -5.9953 -5.9953 -5.9952 -5.9952 -0.2504 -0.2504 -0.0002 -0.0002 0.0005 0.0005 1.2275 1.2275 1.2280 1.2280 1.2772 1.2772 3.2001 3.2001 3.2316 3.2316 3.2318 3.2318 5.9585 5.9585 5.9588 5.9588 6.2408 6.2408 8.4977 8.4977 8.4994 8.4994 13.3481 13.3481 13.4541 13.4541 13.4556 13.4556 15.9622 15.9622 k = 0.4811 0.5000 0.4811 ( 3912 PWs) bands (ev): -77.3095 -77.3095 -46.1435 -46.1435 -41.6828 -41.6828 -41.6828 -41.6828 -22.4905 -22.4905 -16.1955 -16.1955 -16.1738 -16.1738 -16.1732 -16.1732 -6.2534 -6.2534 -5.9950 -5.9950 -5.9947 -5.9947 -0.2477 -0.2477 0.0008 0.0008 0.0034 0.0034 1.2279 1.2279 1.2298 1.2298 1.2784 1.2784 3.1986 3.1986 3.2298 3.2298 3.2308 3.2308 5.9564 5.9564 5.9575 5.9575 6.2391 6.2391 8.4900 8.4900 8.4968 8.4968 13.3514 13.3514 13.4553 13.4553 13.4610 13.4610 15.9548 15.9548 k = 0.4717 0.5000 0.4717 ( 3926 PWs) bands (ev): -77.3095 -77.3095 -46.1435 -46.1435 -41.6828 -41.6828 -41.6828 -41.6828 -22.4905 -22.4905 -16.1960 -16.1960 -16.1746 -16.1746 -16.1733 -16.1733 -6.2528 -6.2528 -5.9945 -5.9945 -5.9938 -5.9938 -0.2433 -0.2433 0.0024 0.0024 0.0082 0.0082 1.2284 1.2284 1.2327 1.2327 1.2804 1.2804 3.1961 3.1961 3.2267 3.2267 3.2291 3.2291 5.9527 5.9527 5.9553 5.9553 6.2362 6.2362 8.4772 8.4772 8.4925 8.4925 13.3564 13.3564 13.4576 13.4576 13.4699 13.4699 15.9426 15.9426 k = 0.4623 0.5000 0.4623 ( 3940 PWs) bands (ev): -77.3095 -77.3095 -46.1435 -46.1435 -41.6828 -41.6828 -41.6827 -41.6827 -22.4906 -22.4906 -16.1966 -16.1966 -16.1757 -16.1757 -16.1735 -16.1735 -6.2519 -6.2519 -5.9939 -5.9939 -5.9925 -5.9925 -0.2372 -0.2372 0.0048 0.0048 0.0149 0.0149 1.2291 1.2291 1.2367 1.2367 1.2834 1.2834 3.1926 3.1926 3.2225 3.2225 3.2269 3.2269 5.9476 5.9476 5.9522 5.9522 6.2322 6.2322 8.4594 8.4594 8.4865 8.4865 13.3624 13.3624 13.4617 13.4617 13.4823 13.4823 15.9255 15.9255 k = 0.4528 0.5000 0.4528 ( 3940 PWs) bands (ev): -77.3095 -77.3095 -46.1434 -46.1434 -41.6828 -41.6828 -41.6827 -41.6827 -22.4907 -22.4907 -16.1976 -16.1976 -16.1771 -16.1771 -16.1736 -16.1736 -6.2508 -6.2508 -5.9930 -5.9930 -5.9909 -5.9909 -0.2296 -0.2296 0.0082 0.0082 0.0237 0.0237 1.2300 1.2300 1.2418 1.2418 1.2877 1.2877 3.1879 3.1879 3.2173 3.2173 3.2241 3.2241 5.9412 5.9412 5.9484 5.9484 6.2271 6.2271 8.4368 8.4368 8.4788 8.4788 13.3684 13.3684 13.4682 13.4682 13.4981 13.4981 15.9037 15.9037 k = 0.4434 0.5000 0.4434 ( 3942 PWs) bands (ev): -77.3095 -77.3095 -46.1434 -46.1434 -41.6827 -41.6827 -41.6827 -41.6827 -22.4908 -22.4908 -16.1988 -16.1988 -16.1785 -16.1785 -16.1739 -16.1739 -6.2494 -6.2494 -5.9920 -5.9920 -5.9890 -5.9890 -0.2206 -0.2206 0.0125 0.0125 0.0343 0.0343 1.2309 1.2309 1.2479 1.2479 1.2933 1.2933 3.1821 3.1821 3.2110 3.2110 3.2208 3.2208 5.9333 5.9333 5.9437 5.9437 6.2209 6.2209 8.4094 8.4094 8.4694 8.4694 13.3730 13.3730 13.4782 13.4782 13.5172 13.5172 15.8775 15.8775 k = 0.4340 0.5000 0.4340 ( 3938 PWs) bands (ev): -77.3095 -77.3095 -46.1434 -46.1434 -41.6827 -41.6827 -41.6826 -41.6826 -22.4909 -22.4909 -16.2005 -16.2005 -16.1801 -16.1801 -16.1741 -16.1741 -6.2478 -6.2478 -5.9908 -5.9908 -5.9868 -5.9868 -0.2105 -0.2105 0.0182 0.0182 0.0470 0.0470 1.2318 1.2318 1.2547 1.2547 1.3004 1.3004 3.1750 3.1750 3.2038 3.2038 3.2171 3.2171 5.9240 5.9240 5.9382 5.9382 6.2138 6.2138 8.3774 8.3774 8.4583 8.4583 13.3755 13.3755 13.4920 13.4920 13.5395 13.5395 15.8474 15.8474 k = 0.4245 0.5000 0.4245 ( 3938 PWs) bands (ev): -77.3095 -77.3095 -46.1434 -46.1434 -41.6827 -41.6827 -41.6826 -41.6826 -22.4911 -22.4911 -16.2026 -16.2026 -16.1816 -16.1816 -16.1744 -16.1744 -6.2460 -6.2460 -5.9895 -5.9895 -5.9842 -5.9842 -0.1997 -0.1997 0.0254 0.0254 0.0614 0.0614 1.2328 1.2328 1.2623 1.2623 1.3093 1.3093 3.1666 3.1666 3.1958 3.1958 3.2129 3.2129 5.9132 5.9132 5.9319 5.9319 6.2056 6.2056 8.3409 8.3409 8.4455 8.4455 13.3755 13.3755 13.5094 13.5094 13.5648 13.5648 15.8141 15.8141 k = 0.4151 0.5000 0.4151 ( 3934 PWs) bands (ev): -77.3095 -77.3095 -46.1434 -46.1434 -41.6827 -41.6827 -41.6825 -41.6825 -22.4913 -22.4913 -16.2053 -16.2053 -16.1830 -16.1830 -16.1747 -16.1747 -6.2440 -6.2440 -5.9879 -5.9879 -5.9814 -5.9814 -0.1883 -0.1883 0.0343 0.0343 0.0779 0.0779 1.2337 1.2337 1.2705 1.2705 1.3199 1.3199 3.1568 3.1568 3.1869 3.1869 3.2084 3.2084 5.9011 5.9011 5.9249 5.9249 6.1965 6.1965 8.3001 8.3001 8.4311 8.4311 13.3729 13.3729 13.5297 13.5297 13.5932 13.5932 15.7785 15.7785 k = 0.4057 0.5000 0.4057 ( 3930 PWs) bands (ev): -77.3095 -77.3095 -46.1434 -46.1434 -41.6827 -41.6827 -41.6825 -41.6825 -22.4914 -22.4914 -16.2085 -16.2085 -16.1843 -16.1843 -16.1751 -16.1751 -6.2418 -6.2418 -5.9862 -5.9862 -5.9783 -5.9783 -0.1769 -0.1769 0.0454 0.0454 0.0960 0.0960 1.2347 1.2347 1.2794 1.2794 1.3325 1.3325 3.1458 3.1458 3.1772 3.1772 3.2034 3.2034 5.8875 5.8875 5.9172 5.9172 6.1865 6.1865 8.2552 8.2552 8.4149 8.4149 13.3682 13.3682 13.5520 13.5520 13.6246 13.6246 15.7415 15.7415 k = 0.3962 0.5000 0.3962 ( 3942 PWs) bands (ev): -77.3095 -77.3095 -46.1434 -46.1434 -41.6827 -41.6827 -41.6824 -41.6824 -22.4916 -22.4916 -16.2124 -16.2124 -16.1855 -16.1855 -16.1755 -16.1755 -6.2395 -6.2395 -5.9844 -5.9844 -5.9750 -5.9750 -0.1658 -0.1658 0.0589 0.0589 0.1160 0.1160 1.2358 1.2358 1.2887 1.2887 1.3468 1.3468 3.1336 3.1336 3.1667 3.1667 3.1980 3.1980 5.8725 5.8725 5.9087 5.9087 6.1756 6.1756 8.2063 8.2063 8.3971 8.3971 13.3614 13.3614 13.5751 13.5751 13.6590 13.6590 15.7041 15.7041 k = 0.3868 0.5000 0.3868 ( 3942 PWs) bands (ev): -77.3095 -77.3095 -46.1433 -46.1433 -41.6826 -41.6826 -41.6823 -41.6823 -22.4919 -22.4919 -16.2167 -16.2167 -16.1864 -16.1864 -16.1759 -16.1759 -6.2370 -6.2370 -5.9824 -5.9824 -5.9714 -5.9714 -0.1552 -0.1552 0.0751 0.0751 0.1377 0.1377 1.2372 1.2372 1.2987 1.2987 1.3630 1.3630 3.1202 3.1202 3.1556 3.1556 3.1922 3.1922 5.8561 5.8561 5.8996 5.8996 6.1641 6.1641 8.1537 8.1537 8.3777 8.3777 13.3527 13.3527 13.5979 13.5979 13.6964 13.6964 15.6674 15.6674 k = 0.3774 0.5000 0.3774 ( 3954 PWs) bands (ev): -77.3095 -77.3095 -46.1433 -46.1433 -41.6826 -41.6826 -41.6823 -41.6823 -22.4921 -22.4921 -16.2216 -16.2216 -16.1873 -16.1873 -16.1763 -16.1763 -6.2343 -6.2343 -5.9803 -5.9803 -5.9677 -5.9677 -0.1457 -0.1457 0.0941 0.0941 0.1612 0.1612 1.2388 1.2388 1.3093 1.3093 1.3810 1.3810 3.1057 3.1057 3.1436 3.1436 3.1859 3.1859 5.8384 5.8384 5.8899 5.8899 6.1517 6.1517 8.0976 8.0976 8.3565 8.3565 13.3423 13.3423 13.6195 13.6195 13.7366 13.7366 15.6323 15.6323 k = 0.3679 0.5000 0.3679 ( 3958 PWs) bands (ev): -77.3095 -77.3095 -46.1433 -46.1433 -41.6826 -41.6826 -41.6822 -41.6822 -22.4923 -22.4923 -16.2269 -16.2269 -16.1881 -16.1881 -16.1767 -16.1767 -6.2316 -6.2316 -5.9780 -5.9780 -5.9638 -5.9638 -0.1371 -0.1371 0.1162 0.1162 0.1864 0.1864 1.2408 1.2408 1.3205 1.3205 1.4008 1.4008 3.0903 3.0903 3.1311 3.1311 3.1792 3.1792 5.8193 5.8193 5.8795 5.8795 6.1388 6.1388 8.0381 8.0381 8.3339 8.3339 13.3303 13.3303 13.6388 13.6388 13.7794 13.7794 15.5999 15.5999 k = 0.3585 0.5000 0.3585 ( 3954 PWs) bands (ev): -77.3095 -77.3095 -46.1433 -46.1433 -41.6826 -41.6826 -41.6821 -41.6821 -22.4926 -22.4926 -16.2325 -16.2325 -16.1888 -16.1888 -16.1772 -16.1772 -6.2287 -6.2287 -5.9756 -5.9756 -5.9597 -5.9597 -0.1297 -0.1297 0.1413 0.1413 0.2133 0.2133 1.2434 1.2434 1.3325 1.3325 1.4223 1.4223 3.0741 3.0741 3.1178 3.1178 3.1719 3.1719 5.7989 5.7989 5.8687 5.8687 6.1254 6.1254 7.9756 7.9756 8.3095 8.3095 13.3166 13.3166 13.6551 13.6551 13.8247 13.8247 15.5711 15.5711 k = 0.3491 0.5000 0.3491 ( 3950 PWs) bands (ev): -77.3095 -77.3095 -46.1432 -46.1432 -41.6826 -41.6826 -41.6820 -41.6820 -22.4929 -22.4929 -16.2386 -16.2386 -16.1894 -16.1894 -16.1777 -16.1777 -6.2257 -6.2257 -5.9732 -5.9732 -5.9556 -5.9556 -0.1234 -0.1234 0.1693 0.1693 0.2418 0.2418 1.2464 1.2464 1.3451 1.3451 1.4455 1.4455 3.0572 3.0572 3.1039 3.1039 3.1642 3.1642 5.7772 5.7772 5.8574 5.8574 6.1114 6.1114 7.9103 7.9103 8.2836 8.2836 13.3014 13.3014 13.6675 13.6675 13.8723 13.8723 15.5465 15.5465 k = 0.3396 0.5000 0.3396 ( 3946 PWs) bands (ev): -77.3095 -77.3095 -46.1432 -46.1432 -41.6825 -41.6825 -41.6819 -41.6819 -22.4932 -22.4932 -16.2449 -16.2449 -16.1900 -16.1900 -16.1781 -16.1781 -6.2227 -6.2227 -5.9706 -5.9706 -5.9514 -5.9514 -0.1180 -0.1180 0.1998 0.1998 0.2719 0.2719 1.2501 1.2501 1.3585 1.3585 1.4704 1.4704 3.0397 3.0397 3.0892 3.0892 3.1559 3.1559 5.7541 5.7541 5.8457 5.8457 6.0970 6.0970 7.8423 7.8423 8.2562 8.2562 13.2846 13.2846 13.6752 13.6752 13.9218 13.9218 15.5269 15.5269 k = 0.3302 0.5000 0.3302 ( 3938 PWs) bands (ev): -77.3095 -77.3095 -46.1432 -46.1432 -41.6825 -41.6825 -41.6818 -41.6818 -22.4935 -22.4935 -16.2516 -16.2516 -16.1905 -16.1905 -16.1786 -16.1786 -6.2196 -6.2196 -5.9679 -5.9679 -5.9471 -5.9471 -0.1134 -0.1134 0.2327 0.2327 0.3036 0.3036 1.2546 1.2546 1.3726 1.3726 1.4968 1.4968 3.0216 3.0216 3.0738 3.0738 3.1470 3.1470 5.7298 5.7298 5.8336 5.8336 6.0823 6.0823 7.7719 7.7719 8.2272 8.2272 13.2664 13.2664 13.6777 13.6777 13.9731 13.9731 15.5127 15.5127 k = 0.3208 0.5000 0.3208 ( 3946 PWs) bands (ev): -77.3095 -77.3095 -46.1431 -46.1431 -41.6825 -41.6825 -41.6817 -41.6817 -22.4938 -22.4938 -16.2585 -16.2585 -16.1910 -16.1910 -16.1791 -16.1791 -6.2164 -6.2164 -5.9651 -5.9651 -5.9428 -5.9428 -0.1096 -0.1096 0.2677 0.2677 0.3365 0.3365 1.2598 1.2598 1.3874 1.3874 1.5248 1.5248 3.0031 3.0031 3.0578 3.0578 3.1375 3.1375 5.7042 5.7042 5.8211 5.8211 6.0672 6.0672 7.6993 7.6993 8.1967 8.1967 13.2468 13.2468 13.6746 13.6746 14.0260 14.0260 15.5039 15.5039 k = 0.3113 0.5000 0.3113 ( 3942 PWs) bands (ev): -77.3095 -77.3095 -46.1431 -46.1431 -41.6824 -41.6824 -41.6816 -41.6816 -22.4942 -22.4942 -16.2656 -16.2656 -16.1915 -16.1915 -16.1796 -16.1796 -6.2133 -6.2133 -5.9623 -5.9623 -5.9385 -5.9385 -0.1065 -0.1065 0.3047 0.3047 0.3709 0.3709 1.2659 1.2659 1.4029 1.4029 1.5544 1.5544 2.9843 2.9843 3.0411 3.0411 3.1274 3.1274 5.6774 5.6774 5.8084 5.8084 6.0520 6.0520 7.6248 7.6248 8.1647 8.1647 13.2258 13.2258 13.6655 13.6655 14.0802 14.0802 15.4363 15.4363 k = 0.3019 0.5000 0.3019 ( 3958 PWs) bands (ev): -77.3096 -77.3096 -46.1431 -46.1431 -41.6824 -41.6824 -41.6815 -41.6815 -22.4945 -22.4945 -16.2729 -16.2729 -16.1920 -16.1920 -16.1801 -16.1801 -6.2101 -6.2101 -5.9595 -5.9595 -5.9342 -5.9342 -0.1039 -0.1039 0.3433 0.3433 0.4066 0.4066 1.2729 1.2729 1.4191 1.4191 1.5854 1.5854 2.9653 2.9653 3.0237 3.0237 3.1168 3.1168 5.6495 5.6495 5.7954 5.7954 6.0364 6.0364 7.5483 7.5483 8.1312 8.1312 13.2035 13.2035 13.6505 13.6505 14.1355 14.1355 15.3688 15.3688 k = 0.2925 0.5000 0.2925 ( 3938 PWs) bands (ev): -77.3095 -77.3095 -46.1430 -46.1430 -41.6824 -41.6824 -41.6814 -41.6814 -22.4949 -22.4949 -16.2803 -16.2803 -16.1925 -16.1925 -16.1805 -16.1805 -6.2069 -6.2069 -5.9565 -5.9565 -5.9300 -5.9300 -0.1015 -0.1015 0.3834 0.3834 0.4436 0.4436 1.2811 1.2811 1.4361 1.4361 1.6181 1.6181 2.9463 2.9463 3.0057 3.0057 3.1055 3.1055 5.6205 5.6205 5.7823 5.7823 6.0209 6.0209 7.4705 7.4705 8.0966 8.0966 13.1801 13.1801 13.6297 13.6297 14.1917 14.1917 15.3024 15.3024 k = 0.2830 0.5000 0.2830 ( 3938 PWs) bands (ev): -77.3095 -77.3095 -46.1430 -46.1430 -41.6823 -41.6823 -41.6813 -41.6813 -22.4952 -22.4952 -16.2879 -16.2879 -16.1929 -16.1929 -16.1810 -16.1810 -6.2038 -6.2038 -5.9536 -5.9536 -5.9259 -5.9259 -0.0996 -0.0996 0.4247 0.4247 0.4817 0.4817 1.2903 1.2903 1.4538 1.4538 1.6522 1.6522 2.9272 2.9272 2.9870 2.9870 3.0936 3.0936 5.5903 5.5903 5.7691 5.7691 6.0053 6.0053 7.3912 7.3912 8.0606 8.0606 13.1556 13.1556 13.6034 13.6034 14.2487 14.2487 15.2371 15.2371 k = 0.2736 0.5000 0.2736 ( 3934 PWs) bands (ev): -77.3095 -77.3095 -46.1429 -46.1429 -41.6823 -41.6823 -41.6812 -41.6812 -22.4956 -22.4956 -16.2955 -16.2955 -16.1934 -16.1934 -16.1814 -16.1814 -6.2006 -6.2006 -5.9506 -5.9506 -5.9219 -5.9219 -0.0980 -0.0980 0.4670 0.4670 0.5209 0.5209 1.3006 1.3006 1.4721 1.4721 1.6877 1.6877 2.9083 2.9083 2.9677 2.9677 3.0811 3.0811 5.5592 5.5592 5.7558 5.7558 5.9897 5.9897 7.3108 7.3108 8.0233 8.0233 13.1302 13.1302 13.5722 13.5722 14.3061 14.3061 15.1731 15.1731 k = 0.2642 0.5000 0.2642 ( 3942 PWs) bands (ev): -77.3095 -77.3095 -46.1429 -46.1429 -41.6823 -41.6823 -41.6810 -41.6810 -22.4960 -22.4960 -16.3032 -16.3032 -16.1939 -16.1939 -16.1818 -16.1818 -6.1975 -6.1975 -5.9476 -5.9476 -5.9180 -5.9180 -0.0967 -0.0967 0.5100 0.5100 0.5610 0.5610 1.3121 1.3121 1.4910 1.4910 1.7247 1.7247 2.8895 2.8895 2.9478 2.9478 3.0678 3.0678 5.5271 5.5271 5.7424 5.7424 5.9741 5.9741 7.2295 7.2295 7.9849 7.9849 13.1039 13.1039 13.5364 13.5364 14.3639 14.3639 15.1104 15.1104 k = 0.2547 0.5000 0.2547 ( 3940 PWs) bands (ev): -77.3095 -77.3095 -46.1429 -46.1429 -41.6822 -41.6822 -41.6809 -41.6809 -22.4964 -22.4964 -16.3110 -16.3110 -16.1943 -16.1943 -16.1821 -16.1821 -6.1945 -6.1945 -5.9446 -5.9446 -5.9143 -5.9143 -0.0955 -0.0955 0.5536 0.5536 0.6020 0.6020 1.3248 1.3248 1.5107 1.5107 1.7631 1.7631 2.8711 2.8711 2.9273 2.9273 3.0540 3.0540 5.4941 5.4941 5.7292 5.7292 5.9587 5.9587 7.1475 7.1475 7.9454 7.9454 13.0770 13.0770 13.4968 13.4968 14.4218 14.4218 15.0490 15.0490 k = 0.2453 0.5000 0.2453 ( 3940 PWs) bands (ev): -77.3095 -77.3095 -46.1428 -46.1428 -41.6822 -41.6822 -41.6808 -41.6808 -22.4967 -22.4967 -16.3187 -16.3187 -16.1948 -16.1948 -16.1825 -16.1825 -6.1916 -6.1916 -5.9416 -5.9416 -5.9107 -5.9107 -0.0944 -0.0944 0.5976 0.5976 0.6438 0.6438 1.3389 1.3389 1.5310 1.5310 1.8027 1.8027 2.8531 2.8531 2.9061 2.9061 3.0395 3.0395 5.4602 5.4602 5.7159 5.7159 5.9433 5.9433 7.0650 7.0650 7.9048 7.9048 13.0496 13.0496 13.4540 13.4540 14.4798 14.4798 14.9892 14.9892 k = 0.2358 0.5000 0.2358 ( 3940 PWs) bands (ev): -77.3095 -77.3095 -46.1428 -46.1428 -41.6822 -41.6822 -41.6807 -41.6807 -22.4971 -22.4971 -16.3265 -16.3265 -16.1952 -16.1952 -16.1828 -16.1828 -6.1887 -6.1887 -5.9387 -5.9387 -5.9073 -5.9073 -0.0935 -0.0935 0.6418 0.6418 0.6862 0.6862 1.3542 1.3542 1.5518 1.5518 1.8436 1.8436 2.8355 2.8355 2.8844 2.8844 3.0243 3.0243 5.4256 5.4256 5.7029 5.7029 5.9281 5.9281 6.9822 6.9822 7.8635 7.8635 13.0217 13.0217 13.4085 13.4085 14.5375 14.5375 14.9308 14.9308 k = 0.2264 0.5000 0.2264 ( 3944 PWs) bands (ev): -77.3096 -77.3096 -46.1428 -46.1428 -41.6822 -41.6822 -41.6806 -41.6806 -22.4975 -22.4975 -16.3341 -16.3341 -16.1957 -16.1957 -16.1830 -16.1830 -6.1859 -6.1859 -5.9358 -5.9358 -5.9041 -5.9041 -0.0927 -0.0927 0.6860 0.6860 0.7290 0.7290 1.3708 1.3708 1.5733 1.5733 1.8857 1.8857 2.8184 2.8184 2.8622 2.8622 3.0085 3.0085 5.3903 5.3903 5.6900 5.6900 5.9131 5.9131 6.8995 6.8995 7.8213 7.8213 12.9936 12.9936 13.3608 13.3608 14.5948 14.5948 14.8741 14.8741 k = 0.2170 0.5000 0.2170 ( 3940 PWs) bands (ev): -77.3096 -77.3096 -46.1427 -46.1427 -41.6821 -41.6821 -41.6805 -41.6805 -22.4979 -22.4979 -16.3417 -16.3417 -16.1961 -16.1961 -16.1833 -16.1833 -6.1832 -6.1832 -5.9329 -5.9329 -5.9011 -5.9011 -0.0920 -0.0920 0.7301 0.7301 0.7721 0.7721 1.3888 1.3888 1.5953 1.5953 1.9289 1.9289 2.8016 2.8016 2.8398 2.8398 2.9920 2.9920 5.3546 5.3546 5.6773 5.6773 5.8984 5.8984 6.8170 6.8170 7.7785 7.7785 12.9655 12.9655 13.3117 13.3117 14.6516 14.6516 14.8191 14.8191 k = 0.2075 0.5000 0.2075 ( 3940 PWs) bands (ev): -77.3096 -77.3096 -46.1427 -46.1427 -41.6821 -41.6821 -41.6804 -41.6804 -22.4983 -22.4983 -16.3492 -16.3492 -16.1966 -16.1966 -16.1835 -16.1835 -6.1805 -6.1805 -5.9301 -5.9301 -5.8983 -5.8983 -0.0913 -0.0913 0.7739 0.7739 0.8152 0.8152 1.4082 1.4082 1.6179 1.6179 1.9731 1.9731 2.7849 2.7849 2.8176 2.8176 2.9749 2.9749 5.3182 5.3182 5.6649 5.6649 5.8839 5.8839 6.7349 6.7349 7.7352 7.7352 12.9374 12.9374 13.2615 13.2615 14.7076 14.7076 14.7658 14.7658 k = 0.1981 0.5000 0.1981 ( 3936 PWs) bands (ev): -77.3095 -77.3095 -46.1427 -46.1427 -41.6821 -41.6821 -41.6803 -41.6803 -22.4987 -22.4987 -16.3566 -16.3566 -16.1971 -16.1971 -16.1836 -16.1836 -6.1780 -6.1780 -5.9273 -5.9273 -5.8956 -5.8956 -0.0907 -0.0907 0.8172 0.8172 0.8583 0.8583 1.4289 1.4289 1.6410 1.6410 2.0181 2.0181 2.7673 2.7673 2.7966 2.7966 2.9572 2.9572 5.2815 5.2815 5.6529 5.6529 5.8697 5.8697 6.6536 6.6536 7.6916 7.6916 12.9094 12.9094 13.2107 13.2107 14.7143 14.7143 14.7628 14.7628 k = 0.1887 0.5000 0.1887 ( 3940 PWs) bands (ev): -77.3096 -77.3096 -46.1426 -46.1426 -41.6820 -41.6820 -41.6802 -41.6802 -22.4991 -22.4991 -16.3638 -16.3638 -16.1975 -16.1975 -16.1837 -16.1837 -6.1757 -6.1757 -5.9247 -5.9247 -5.8932 -5.8932 -0.0902 -0.0902 0.8599 0.8599 0.9010 0.9010 1.4508 1.4508 1.6644 1.6644 2.0639 2.0639 2.7474 2.7474 2.7782 2.7782 2.9388 2.9388 5.2444 5.2444 5.6411 5.6411 5.8557 5.8557 6.5733 6.5733 7.6478 7.6478 12.8819 12.8819 13.1597 13.1597 14.6647 14.6647 14.8169 14.8169 k = 0.1792 0.5000 0.1792 ( 3942 PWs) bands (ev): -77.3096 -77.3096 -46.1426 -46.1426 -41.6820 -41.6820 -41.6801 -41.6801 -22.4994 -22.4994 -16.3708 -16.3708 -16.1980 -16.1980 -16.1838 -16.1838 -6.1734 -6.1734 -5.9221 -5.9221 -5.8910 -5.8910 -0.0896 -0.0896 0.9019 0.9019 0.9431 0.9431 1.4741 1.4741 1.6883 1.6883 2.1103 2.1103 2.7247 2.7247 2.7632 2.7632 2.9200 2.9200 5.2071 5.2071 5.6298 5.6298 5.8419 5.8419 6.4943 6.4943 7.6040 7.6040 12.8548 12.8548 13.1090 13.1090 14.6171 14.6171 14.8697 14.8697 k = 0.1698 0.5000 0.1698 ( 3938 PWs) bands (ev): -77.3096 -77.3096 -46.1426 -46.1426 -41.6820 -41.6820 -41.6800 -41.6800 -22.4998 -22.4998 -16.3776 -16.3776 -16.1984 -16.1984 -16.1839 -16.1839 -6.1712 -6.1712 -5.9197 -5.9197 -5.8889 -5.8889 -0.0892 -0.0892 0.9430 0.9430 0.9845 0.9845 1.4987 1.4987 1.7125 1.7125 2.1571 2.1571 2.6996 2.6996 2.7512 2.7512 2.9006 2.9006 5.1698 5.1698 5.6189 5.6189 5.8284 5.8284 6.4170 6.4170 7.5603 7.5603 12.8283 12.8283 13.0588 13.0588 14.5716 14.5716 14.9211 14.9211 k = 0.1604 0.5000 0.1604 ( 3938 PWs) bands (ev): -77.3096 -77.3096 -46.1425 -46.1425 -41.6819 -41.6819 -41.6799 -41.6799 -22.5001 -22.5001 -16.3842 -16.3842 -16.1989 -16.1989 -16.1839 -16.1839 -6.1692 -6.1692 -5.9173 -5.9173 -5.8870 -5.8870 -0.0887 -0.0887 0.9830 0.9830 1.0249 1.0249 1.5244 1.5244 1.7370 1.7370 2.2040 2.2040 2.6729 2.6729 2.7414 2.7414 2.8808 2.8808 5.1326 5.1326 5.6084 5.6084 5.8150 5.8150 6.3416 6.3416 7.5171 7.5171 12.8025 12.8025 13.0096 13.0096 14.5281 14.5281 14.9709 14.9709 k = 0.1509 0.5000 0.1509 ( 3952 PWs) bands (ev): -77.3096 -77.3096 -46.1425 -46.1425 -41.6819 -41.6819 -41.6798 -41.6798 -22.5005 -22.5005 -16.3905 -16.3905 -16.1993 -16.1993 -16.1839 -16.1839 -6.1673 -6.1673 -5.9151 -5.9151 -5.8853 -5.8853 -0.0883 -0.0883 1.0218 1.0218 1.0641 1.0641 1.5513 1.5513 1.7617 1.7617 2.2509 2.2509 2.6449 2.6449 2.7334 2.7334 2.8605 2.8605 5.0955 5.0955 5.5983 5.5983 5.8016 5.8016 6.2686 6.2686 7.4744 7.4744 12.7776 12.7776 12.9616 12.9616 14.4867 14.4867 15.0189 15.0189 k = 0.1415 0.5000 0.1415 ( 3946 PWs) bands (ev): -77.3096 -77.3096 -46.1425 -46.1425 -41.6819 -41.6819 -41.6797 -41.6797 -22.5008 -22.5008 -16.3966 -16.3966 -16.1997 -16.1997 -16.1839 -16.1839 -6.1655 -6.1655 -5.9130 -5.9130 -5.8837 -5.8837 -0.0879 -0.0879 1.0593 1.0593 1.1019 1.1019 1.5794 1.5794 1.7866 1.7866 2.2976 2.2976 2.6161 2.6161 2.7272 2.7272 2.8399 2.8399 5.0589 5.0589 5.5888 5.5888 5.7881 5.7881 6.1986 6.1986 7.4326 7.4326 12.7536 12.7536 12.9150 12.9150 14.4476 14.4476 15.0651 15.0651 k = 0.1321 0.5000 0.1321 ( 3958 PWs) bands (ev): -77.3096 -77.3096 -46.1425 -46.1425 -41.6819 -41.6819 -41.6796 -41.6796 -22.5011 -22.5011 -16.4023 -16.4023 -16.2001 -16.2001 -16.1839 -16.1839 -6.1639 -6.1639 -5.9110 -5.9110 -5.8823 -5.8823 -0.0876 -0.0876 1.0952 1.0952 1.1380 1.1380 1.6086 1.6086 1.8114 1.8114 2.3437 2.3437 2.5863 2.5863 2.7226 2.7226 2.8190 2.8190 5.0227 5.0227 5.5797 5.5797 5.7742 5.7742 6.1319 6.1319 7.3918 7.3918 12.7308 12.7308 12.8703 12.8703 14.4107 14.4107 15.1091 15.1091 k = 0.1226 0.5000 0.1226 ( 3958 PWs) bands (ev): -77.3096 -77.3096 -46.1424 -46.1424 -41.6818 -41.6818 -41.6795 -41.6795 -22.5014 -22.5014 -16.4078 -16.4078 -16.2005 -16.2005 -16.1838 -16.1838 -6.1624 -6.1624 -5.9092 -5.9092 -5.8810 -5.8810 -0.0873 -0.0873 1.1295 1.1295 1.1725 1.1725 1.6387 1.6387 1.8362 1.8362 2.3890 2.3890 2.5559 2.5559 2.7195 2.7195 2.7981 2.7981 4.9873 4.9873 5.5712 5.5712 5.7596 5.7596 6.0695 6.0695 7.3524 7.3524 12.7091 12.7091 12.8275 12.8275 14.3761 14.3761 15.1509 15.1509 k = 0.1132 0.5000 0.1132 ( 3950 PWs) bands (ev): -77.3096 -77.3096 -46.1424 -46.1424 -41.6818 -41.6818 -41.6794 -41.6794 -22.5017 -22.5017 -16.4129 -16.4129 -16.2009 -16.2009 -16.1837 -16.1837 -6.1610 -6.1610 -5.9075 -5.9075 -5.8798 -5.8798 -0.0869 -0.0869 1.1619 1.1619 1.2050 1.2050 1.6698 1.6698 1.8608 1.8608 2.4328 2.4328 2.5250 2.5250 2.7178 2.7178 2.7771 2.7771 4.9528 4.9528 5.5633 5.5633 5.7437 5.7437 6.0121 6.0121 7.3146 7.3146 12.6886 12.6886 12.7871 12.7871 14.3439 14.3439 15.1904 15.1904 k = 0.1038 0.5000 0.1038 ( 3954 PWs) bands (ev): -77.3096 -77.3096 -46.1424 -46.1424 -41.6818 -41.6818 -41.6794 -41.6794 -22.5020 -22.5020 -16.4177 -16.4177 -16.2012 -16.2012 -16.1836 -16.1836 -6.1597 -6.1597 -5.9060 -5.9060 -5.8787 -5.8787 -0.0866 -0.0866 1.1923 1.1923 1.2353 1.2353 1.7017 1.7017 1.8851 1.8851 2.4723 2.4723 2.4964 2.4964 2.7172 2.7172 2.7565 2.7565 4.9195 4.9195 5.5559 5.5559 5.7258 5.7258 5.9607 5.9607 7.2785 7.2785 12.6695 12.6695 12.7490 12.7490 14.3141 14.3141 15.2272 15.2272 k = 0.0943 0.5000 0.0943 ( 3954 PWs) bands (ev): -77.3096 -77.3096 -46.1424 -46.1424 -41.6818 -41.6818 -41.6793 -41.6793 -22.5022 -22.5022 -16.4221 -16.4221 -16.2015 -16.2015 -16.1835 -16.1835 -6.1586 -6.1586 -5.9047 -5.9047 -5.8778 -5.8778 -0.0863 -0.0863 1.2205 1.2205 1.2634 1.2634 1.7343 1.7343 1.9089 1.9089 2.4581 2.4581 2.5188 2.5188 2.7171 2.7171 2.7368 2.7368 4.8876 4.8876 5.5492 5.5492 5.7053 5.7053 5.9164 5.9164 7.2445 7.2445 12.6519 12.6519 12.7136 12.7136 14.2867 14.2867 15.2614 15.2614 k = 0.0849 0.5000 0.0849 ( 3962 PWs) bands (ev): -77.3096 -77.3096 -46.1423 -46.1423 -41.6818 -41.6818 -41.6792 -41.6792 -22.5025 -22.5025 -16.4262 -16.4262 -16.2018 -16.2018 -16.1835 -16.1835 -6.1576 -6.1576 -5.9034 -5.9034 -5.8769 -5.8769 -0.0861 -0.0861 1.2464 1.2464 1.2891 1.2891 1.7676 1.7676 1.9320 1.9320 2.4257 2.4257 2.5566 2.5566 2.7110 2.7110 2.7247 2.7247 4.8573 4.8573 5.5429 5.5429 5.6816 5.6816 5.8800 5.8800 7.2128 7.2128 12.6356 12.6356 12.6810 12.6810 14.2618 14.2618 15.2927 15.2927 k = 0.0755 0.5000 0.0755 ( 3960 PWs) bands (ev): -77.3096 -77.3096 -46.1423 -46.1423 -41.6817 -41.6817 -41.6792 -41.6792 -22.5027 -22.5027 -16.4298 -16.4298 -16.2021 -16.2021 -16.1834 -16.1834 -6.1567 -6.1567 -5.9024 -5.9024 -5.8761 -5.8761 -0.0858 -0.0858 1.2699 1.2699 1.3124 1.3124 1.8014 1.8014 1.9542 1.9542 2.3922 2.3922 2.5922 2.5922 2.6938 2.6938 2.7253 2.7253 4.8290 4.8290 5.5374 5.5374 5.6553 5.6553 5.8515 5.8515 7.1838 7.1838 12.6210 12.6210 12.6514 12.6514 14.2395 14.2395 15.3211 15.3211 k = 0.0660 0.5000 0.0660 ( 3960 PWs) bands (ev): -77.3096 -77.3096 -46.1423 -46.1423 -41.6817 -41.6817 -41.6791 -41.6791 -22.5029 -22.5029 -16.4331 -16.4331 -16.2023 -16.2023 -16.1833 -16.1833 -6.1559 -6.1559 -5.9014 -5.9014 -5.8755 -5.8755 -0.0856 -0.0856 1.2909 1.2909 1.3331 1.3331 1.8356 1.8356 1.9753 1.9753 2.3583 2.3583 2.6247 2.6247 2.6758 2.6758 2.7285 2.7285 4.8030 4.8030 5.5325 5.5325 5.6275 5.6275 5.8299 5.8299 7.1574 7.1574 12.6079 12.6079 12.6250 12.6250 14.2197 14.2197 15.3463 15.3463 k = 0.0566 0.5000 0.0566 ( 3960 PWs) bands (ev): -77.3096 -77.3096 -46.1423 -46.1423 -41.6817 -41.6817 -41.6791 -41.6791 -22.5030 -22.5030 -16.4359 -16.4359 -16.2025 -16.2025 -16.1832 -16.1832 -6.1552 -6.1552 -5.9007 -5.9007 -5.8749 -5.8749 -0.0854 -0.0854 1.3092 1.3092 1.3512 1.3512 1.8700 1.8700 1.9949 1.9949 2.3239 2.3239 2.6519 2.6519 2.6604 2.6604 2.7327 2.7327 4.7796 4.7796 5.5282 5.5282 5.5999 5.5999 5.8138 5.8138 7.1341 7.1341 12.5963 12.5963 12.6021 12.6021 14.2025 14.2025 15.3683 15.3683 k = 0.0472 0.5000 0.0472 ( 3956 PWs) bands (ev): -77.3096 -77.3096 -46.1423 -46.1423 -41.6817 -41.6817 -41.6791 -41.6791 -22.5032 -22.5032 -16.4383 -16.4383 -16.2027 -16.2027 -16.1831 -16.1831 -6.1547 -6.1547 -5.9000 -5.9000 -5.8744 -5.8744 -0.0853 -0.0853 1.3249 1.3249 1.3666 1.3666 1.9042 1.9042 2.0129 2.0129 2.2895 2.2895 2.6424 2.6424 2.6790 2.6790 2.7374 2.7374 4.7592 4.7592 5.5246 5.5246 5.5744 5.5744 5.8020 5.8020 7.1140 7.1140 12.5815 12.5815 12.5873 12.5873 14.1879 14.1879 15.3869 15.3869 k = 0.0377 0.5000 0.0377 ( 3956 PWs) bands (ev): -77.3096 -77.3096 -46.1423 -46.1423 -41.6817 -41.6817 -41.6790 -41.6790 -22.5033 -22.5033 -16.4403 -16.4403 -16.2029 -16.2029 -16.1831 -16.1831 -6.1542 -6.1542 -5.8995 -5.8995 -5.8740 -5.8740 -0.0851 -0.0851 1.3378 1.3378 1.3793 1.3793 1.9377 1.9377 2.0292 2.0292 2.2550 2.2550 2.6290 2.6290 2.6985 2.6985 2.7429 2.7429 4.7420 4.7420 5.5215 5.5215 5.5519 5.5519 5.7933 5.7933 7.0973 7.0973 12.5654 12.5654 12.5791 12.5791 14.1759 14.1759 15.4019 15.4019 k = 0.0283 0.5000 0.0283 ( 3964 PWs) bands (ev): -77.3096 -77.3096 -46.1423 -46.1423 -41.6817 -41.6817 -41.6790 -41.6790 -22.5034 -22.5034 -16.4419 -16.4419 -16.2030 -16.2030 -16.1830 -16.1830 -6.1539 -6.1539 -5.8991 -5.8991 -5.8736 -5.8736 -0.0850 -0.0850 1.3478 1.3478 1.3892 1.3892 1.9694 1.9694 2.0439 2.0439 2.2211 2.2211 2.6178 2.6178 2.7127 2.7127 2.7489 2.7489 4.7282 4.7282 5.5191 5.5191 5.5337 5.5337 5.7871 5.7871 7.0841 7.0841 12.5526 12.5526 12.5728 12.5728 14.1666 14.1666 15.4128 15.4128 k = 0.0189 0.5000 0.0189 ( 3960 PWs) bands (ev): -77.3096 -77.3096 -46.1423 -46.1423 -41.6817 -41.6817 -41.6790 -41.6790 -22.5034 -22.5034 -16.4430 -16.4430 -16.2031 -16.2031 -16.1830 -16.1830 -6.1536 -6.1536 -5.8988 -5.8988 -5.8734 -5.8734 -0.0849 -0.0849 1.3550 1.3550 1.3962 1.3962 1.9970 1.9970 2.0582 2.0582 2.1887 2.1887 2.6095 2.6095 2.7215 2.7215 2.7548 2.7548 4.7182 4.7182 5.5175 5.5175 5.5202 5.5202 5.7829 5.7829 7.0747 7.0747 12.5434 12.5434 12.5683 12.5683 14.1599 14.1599 15.4192 15.4192 k = 0.0094 0.5000 0.0094 ( 3952 PWs) bands (ev): -77.3096 -77.3096 -46.1422 -46.1422 -41.6817 -41.6817 -41.6790 -41.6790 -22.5035 -22.5035 -16.4436 -16.4436 -16.2031 -16.2031 -16.1830 -16.1830 -6.1535 -6.1535 -5.8986 -5.8986 -5.8733 -5.8733 -0.0849 -0.0849 1.3593 1.3593 1.4005 1.4005 2.0159 2.0159 2.0732 2.0732 2.1606 2.1606 2.6044 2.6044 2.7262 2.7262 2.7593 2.7593 4.7121 4.7121 5.5121 5.5121 5.5165 5.5165 5.7806 5.7806 7.0689 7.0689 12.5379 12.5379 12.5656 12.5656 14.1559 14.1559 15.4215 15.4215 k = 0.0000 0.5000-0.0000 ( 3948 PWs) bands (ev): -77.3096 -77.3096 -46.1422 -46.1422 -41.6817 -41.6817 -41.6790 -41.6790 -22.5035 -22.5035 -16.4438 -16.4438 -16.2031 -16.2031 -16.1830 -16.1830 -6.1534 -6.1534 -5.8986 -5.8986 -5.8732 -5.8732 -0.0848 -0.0848 1.3608 1.3608 1.4019 1.4019 2.0224 2.0224 2.0823 2.0823 2.1470 2.1470 2.6026 2.6026 2.7277 2.7277 2.7609 2.7609 4.7101 4.7101 5.5094 5.5094 5.5162 5.5162 5.7798 5.7798 7.0670 7.0670 12.5361 12.5361 12.5647 12.5647 14.1545 14.1545 15.4218 15.4218 k = 0.5000 0.5000-0.0000 ( 3932 PWs) bands (ev): -77.3095 -77.3095 -46.1429 -46.1429 -41.6829 -41.6829 -41.6802 -41.6802 -22.4961 -22.4961 -16.3176 -16.3176 -16.1960 -16.1960 -16.1813 -16.1813 -6.1858 -6.1858 -5.9481 -5.9481 -5.8760 -5.8760 -0.1776 -0.1776 -0.0060 -0.0060 1.0039 1.0039 1.5932 1.5932 1.9476 1.9476 1.9779 1.9779 2.4988 2.4988 2.5366 2.5366 3.2094 3.2094 5.4843 5.4843 5.6666 5.6666 6.0830 6.0830 6.2387 6.2387 8.4987 8.4987 13.4202 13.4202 14.3655 14.3655 14.7084 14.7084 14.7787 14.7787 k = 0.5000 0.5000 0.0132 ( 3932 PWs) bands (ev): -77.3095 -77.3095 -46.1429 -46.1429 -41.6829 -41.6829 -41.6802 -41.6802 -22.4961 -22.4961 -16.3174 -16.3174 -16.1960 -16.1960 -16.1813 -16.1813 -6.1860 -6.1860 -5.9481 -5.9481 -5.8762 -5.8762 -0.1776 -0.1776 -0.0060 -0.0060 1.0043 1.0043 1.5891 1.5891 1.9446 1.9446 1.9749 1.9749 2.5019 2.5019 2.5395 2.5395 3.2094 3.2094 5.4853 5.4853 5.6672 5.6672 6.0831 6.0831 6.2434 6.2434 8.4987 8.4987 13.4202 13.4202 14.3673 14.3673 14.7041 14.7041 14.7743 14.7743 k = 0.5000 0.5000 0.0263 ( 3948 PWs) bands (ev): -77.3095 -77.3095 -46.1429 -46.1429 -41.6829 -41.6829 -41.6802 -41.6802 -22.4961 -22.4961 -16.3167 -16.3167 -16.1959 -16.1959 -16.1812 -16.1812 -6.1863 -6.1863 -5.9484 -5.9484 -5.8769 -5.8769 -0.1775 -0.1775 -0.0060 -0.0060 1.0055 1.0055 1.5766 1.5766 1.9357 1.9357 1.9663 1.9663 2.5108 2.5108 2.5481 2.5481 3.2095 3.2095 5.4883 5.4883 5.6688 5.6688 6.0834 6.0834 6.2574 6.2574 8.4987 8.4987 13.4202 13.4202 14.3727 14.3727 14.6913 14.6913 14.7611 14.7611 k = 0.5000 0.5000 0.0395 ( 3944 PWs) bands (ev): -77.3095 -77.3095 -46.1429 -46.1429 -41.6829 -41.6829 -41.6803 -41.6803 -22.4960 -22.4960 -16.3155 -16.3155 -16.1959 -16.1959 -16.1812 -16.1812 -6.1868 -6.1868 -5.9488 -5.9488 -5.8780 -5.8780 -0.1775 -0.1775 -0.0059 -0.0059 1.0076 1.0076 1.5564 1.5564 1.9217 1.9217 1.9525 1.9525 2.5250 2.5250 2.5619 2.5619 3.2096 3.2096 5.4935 5.4935 5.6717 5.6717 6.0838 6.0838 6.2809 6.2809 8.4987 8.4987 13.4202 13.4202 14.3816 14.3816 14.6707 14.6707 14.7400 14.7400 k = 0.5000 0.5000 0.0526 ( 3944 PWs) bands (ev): -77.3095 -77.3095 -46.1429 -46.1429 -41.6829 -41.6829 -41.6803 -41.6803 -22.4960 -22.4960 -16.3140 -16.3140 -16.1958 -16.1958 -16.1811 -16.1811 -6.1876 -6.1876 -5.9493 -5.9493 -5.8795 -5.8795 -0.1773 -0.1773 -0.0059 -0.0059 1.0105 1.0105 1.5285 1.5285 1.9033 1.9033 1.9344 1.9344 2.5437 2.5437 2.5800 2.5800 3.2097 3.2097 5.5006 5.5006 5.6758 5.6758 6.0845 6.0845 6.3132 6.3132 8.4987 8.4987 13.4201 13.4201 14.3941 14.3941 14.6430 14.6430 14.7116 14.7116 k = 0.5000 0.5000 0.0658 ( 3944 PWs) bands (ev): -77.3095 -77.3095 -46.1429 -46.1429 -41.6829 -41.6829 -41.6803 -41.6803 -22.4959 -22.4959 -16.3120 -16.3120 -16.1956 -16.1956 -16.1809 -16.1809 -6.1885 -6.1885 -5.9501 -5.9501 -5.8814 -5.8814 -0.1772 -0.1772 -0.0058 -0.0058 1.0141 1.0141 1.4934 1.4934 1.8812 1.8812 1.9128 1.9128 2.5660 2.5660 2.6017 2.6017 3.2099 3.2099 5.5092 5.5092 5.6809 5.6809 6.0855 6.0855 6.3541 6.3541 8.4987 8.4987 13.4201 13.4201 14.4102 14.4102 14.6092 14.6092 14.6772 14.6772 k = 0.5000 0.5000 0.0789 ( 3944 PWs) bands (ev): -77.3095 -77.3095 -46.1429 -46.1429 -41.6829 -41.6829 -41.6804 -41.6804 -22.4958 -22.4958 -16.3095 -16.3095 -16.1954 -16.1954 -16.1808 -16.1808 -6.1897 -6.1897 -5.9509 -5.9509 -5.8837 -5.8837 -0.1771 -0.1771 -0.0057 -0.0057 1.0185 1.0185 1.4519 1.4519 1.8565 1.8565 1.8884 1.8884 2.5912 2.5912 2.6261 2.6261 3.2102 3.2102 5.5193 5.5193 5.6871 5.6871 6.0866 6.0866 6.4032 6.4032 8.4987 8.4987 13.4200 13.4200 14.4298 14.4298 14.5703 14.5703 14.6376 14.6376 k = 0.5000 0.5000 0.0921 ( 3944 PWs) bands (ev): -77.3095 -77.3095 -46.1429 -46.1429 -41.6829 -41.6829 -41.6804 -41.6804 -22.4957 -22.4957 -16.3067 -16.3067 -16.1953 -16.1953 -16.1806 -16.1806 -6.1910 -6.1910 -5.9519 -5.9519 -5.8864 -5.8864 -0.1769 -0.1769 -0.0056 -0.0056 1.0236 1.0236 1.4046 1.4046 1.8296 1.8296 1.8619 1.8619 2.6184 2.6184 2.6526 2.6526 3.2104 3.2104 5.5307 5.5307 5.6944 5.6944 6.0880 6.0880 6.4598 6.4598 8.4988 8.4988 13.4199 13.4199 14.4529 14.4529 14.5272 14.5272 14.5940 14.5940 k = 0.5000 0.5000 0.1053 ( 3936 PWs) bands (ev): -77.3095 -77.3095 -46.1429 -46.1429 -41.6829 -41.6829 -41.6805 -41.6805 -22.4955 -22.4955 -16.3035 -16.3035 -16.1950 -16.1950 -16.1804 -16.1804 -6.1926 -6.1926 -5.9531 -5.9531 -5.8895 -5.8895 -0.1767 -0.1767 -0.0054 -0.0054 1.0294 1.0294 1.3521 1.3521 1.8013 1.8013 1.8339 1.8339 2.6471 2.6471 2.6806 2.6806 3.2108 3.2108 5.5433 5.5433 5.7027 5.7027 6.0898 6.0898 6.5235 6.5235 8.4988 8.4988 13.4199 13.4199 14.4794 14.4794 14.4809 14.4809 14.5472 14.5472 k = 0.5000 0.5000 0.1184 ( 3952 PWs) bands (ev): -77.3095 -77.3095 -46.1430 -46.1430 -41.6829 -41.6829 -41.6806 -41.6806 -22.4954 -22.4954 -16.2999 -16.2999 -16.1948 -16.1948 -16.1802 -16.1802 -6.1943 -6.1943 -5.9543 -5.9543 -5.8928 -5.8928 -0.1766 -0.1766 -0.0054 -0.0054 1.0357 1.0357 1.2953 1.2953 1.7720 1.7720 1.8049 1.8049 2.6767 2.6767 2.7095 2.7095 3.2111 3.2111 5.5567 5.5567 5.7118 5.7118 6.0916 6.0916 6.5932 6.5932 8.4987 8.4987 13.4197 13.4197 14.4320 14.4320 14.4974 14.4974 14.5100 14.5100 k = 0.5000 0.5000 0.1316 ( 3944 PWs) bands (ev): -77.3095 -77.3095 -46.1430 -46.1430 -41.6829 -41.6829 -41.6806 -41.6806 -22.4952 -22.4952 -16.2960 -16.2960 -16.1945 -16.1945 -16.1800 -16.1800 -6.1962 -6.1962 -5.9557 -5.9557 -5.8965 -5.8965 -0.1764 -0.1764 -0.0052 -0.0052 1.0427 1.0427 1.2348 1.2348 1.7421 1.7421 1.7753 1.7753 2.7069 2.7069 2.7390 2.7390 3.2115 3.2115 5.5711 5.5711 5.7219 5.7219 6.0938 6.0938 6.6685 6.6685 8.4988 8.4988 13.4196 13.4196 14.3811 14.3811 14.4467 14.4467 14.5431 14.5431 k = 0.5000 0.5000 0.1447 ( 3948 PWs) bands (ev): -77.3095 -77.3095 -46.1430 -46.1430 -41.6829 -41.6829 -41.6807 -41.6807 -22.4950 -22.4950 -16.2918 -16.2918 -16.1942 -16.1942 -16.1797 -16.1797 -6.1982 -6.1982 -5.9572 -5.9572 -5.9005 -5.9005 -0.1763 -0.1763 -0.0050 -0.0050 1.0503 1.0503 1.1715 1.1715 1.7119 1.7119 1.7453 1.7453 2.7374 2.7374 2.7688 2.7688 3.2118 3.2118 5.5862 5.5862 5.7327 5.7327 6.0962 6.0962 6.7485 6.7485 8.4987 8.4987 13.4195 13.4195 14.3290 14.3290 14.3943 14.3943 14.5800 14.5800 k = 0.5000 0.5000 0.1579 ( 3948 PWs) bands (ev): -77.3095 -77.3095 -46.1430 -46.1430 -41.6829 -41.6829 -41.6808 -41.6808 -22.4948 -22.4948 -16.2873 -16.2873 -16.1939 -16.1939 -16.1794 -16.1794 -6.2004 -6.2004 -5.9588 -5.9588 -5.9047 -5.9047 -0.1762 -0.1762 -0.0048 -0.0048 1.0584 1.0584 1.1057 1.1057 1.6817 1.6817 1.7153 1.7153 2.7678 2.7678 2.7986 2.7986 3.2123 3.2123 5.6020 5.6020 5.7442 5.7442 6.0989 6.0989 6.8325 6.8325 8.4987 8.4987 13.4193 13.4193 14.2760 14.2760 14.3411 14.3411 14.6203 14.6203 k = 0.5000 0.5000 0.1711 ( 3948 PWs) bands (ev): -77.3095 -77.3095 -46.1430 -46.1430 -41.6829 -41.6829 -41.6809 -41.6809 -22.4946 -22.4946 -16.2825 -16.2825 -16.1936 -16.1936 -16.1792 -16.1792 -6.2027 -6.2027 -5.9605 -5.9605 -5.9091 -5.9091 -0.1761 -0.1761 -0.0047 -0.0047 1.0383 1.0383 1.0669 1.0669 1.6517 1.6517 1.6855 1.6855 2.7979 2.7979 2.8281 2.8281 3.2127 3.2127 5.6184 5.6184 5.7562 5.7562 6.1019 6.1019 6.9196 6.9196 8.4988 8.4988 13.4191 13.4191 14.2225 14.2225 14.2876 14.2876 14.6639 14.6639 k = 0.5000 0.5000 0.1842 ( 3940 PWs) bands (ev): -77.3095 -77.3095 -46.1430 -46.1430 -41.6829 -41.6829 -41.6810 -41.6810 -22.4944 -22.4944 -16.2776 -16.2776 -16.1932 -16.1932 -16.1788 -16.1788 -6.2052 -6.2052 -5.9622 -5.9622 -5.9136 -5.9136 -0.1761 -0.1761 -0.0044 -0.0044 0.9699 0.9699 1.0758 1.0758 1.6221 1.6221 1.6561 1.6561 2.8277 2.8277 2.8572 2.8572 3.2133 3.2133 5.6355 5.6355 5.7688 5.7688 6.1053 6.1053 7.0092 7.0092 8.4989 8.4989 13.4189 13.4189 14.1690 14.1690 14.2340 14.2340 14.7107 14.7107 k = 0.5000 0.5000 0.1974 ( 3940 PWs) bands (ev): -77.3095 -77.3095 -46.1431 -46.1431 -41.6829 -41.6829 -41.6811 -41.6811 -22.4942 -22.4942 -16.2724 -16.2724 -16.1928 -16.1928 -16.1785 -16.1785 -6.2077 -6.2077 -5.9641 -5.9641 -5.9184 -5.9184 -0.1761 -0.1761 -0.0042 -0.0042 0.9010 0.9010 1.0850 1.0850 1.5929 1.5929 1.6271 1.6271 2.8568 2.8568 2.8858 2.8858 3.2138 3.2138 5.6529 5.6529 5.7817 5.7817 6.1090 6.1090 7.1004 7.1004 8.4990 8.4990 13.4186 13.4186 14.1157 14.1157 14.1806 14.1806 14.7608 14.7608 k = 0.5000 0.5000 0.2105 ( 3956 PWs) bands (ev): -77.3096 -77.3096 -46.1431 -46.1431 -41.6829 -41.6829 -41.6812 -41.6812 -22.4940 -22.4940 -16.2671 -16.2671 -16.1924 -16.1924 -16.1782 -16.1782 -6.2104 -6.2104 -5.9659 -5.9659 -5.9232 -5.9232 -0.1763 -0.1763 -0.0041 -0.0041 0.8321 0.8321 1.0944 1.0944 1.5644 1.5644 1.5987 1.5987 2.8851 2.8851 2.9135 2.9135 3.2143 3.2143 5.6707 5.6707 5.7948 5.7948 6.1131 6.1131 7.1928 7.1928 8.4991 8.4991 13.4183 13.4183 14.0629 14.0629 14.1278 14.1278 14.8139 14.8139 k = 0.5000 0.5000 0.2237 ( 3960 PWs) bands (ev): -77.3096 -77.3096 -46.1431 -46.1431 -41.6829 -41.6829 -41.6813 -41.6813 -22.4938 -22.4938 -16.2617 -16.2617 -16.1920 -16.1920 -16.1779 -16.1779 -6.2131 -6.2131 -5.9679 -5.9679 -5.9281 -5.9281 -0.1766 -0.1766 -0.0039 -0.0039 0.7637 0.7637 1.1040 1.1040 1.5366 1.5366 1.5711 1.5711 2.9127 2.9127 2.9405 2.9405 3.2148 3.2148 5.6889 5.6889 5.8080 5.8080 6.1177 6.1177 7.2856 7.2856 8.4991 8.4991 13.4179 13.4179 14.0109 14.0109 14.0758 14.0758 14.8700 14.8700 k = 0.5000 0.5000 0.2368 ( 3960 PWs) bands (ev): -77.3096 -77.3096 -46.1432 -46.1432 -41.6829 -41.6829 -41.6814 -41.6814 -22.4935 -22.4935 -16.2562 -16.2562 -16.1915 -16.1915 -16.1776 -16.1776 -6.2158 -6.2158 -5.9698 -5.9698 -5.9331 -5.9331 -0.1771 -0.1771 -0.0037 -0.0037 0.6963 0.6963 1.1137 1.1137 1.5097 1.5097 1.5443 1.5443 2.9393 2.9393 2.9666 2.9666 3.2154 3.2154 5.7073 5.7073 5.8213 5.8213 6.1226 6.1226 7.3783 7.3783 8.4992 8.4992 13.4175 13.4175 13.9600 13.9600 14.0248 14.0248 14.9290 14.9290 k = 0.5000 0.5000 0.2500 ( 3968 PWs) bands (ev): -77.3096 -77.3096 -46.1432 -46.1432 -41.6829 -41.6829 -41.6815 -41.6815 -22.4933 -22.4933 -16.2507 -16.2507 -16.1910 -16.1910 -16.1772 -16.1772 -6.2186 -6.2186 -5.9718 -5.9718 -5.9380 -5.9380 -0.1777 -0.1777 -0.0035 -0.0035 0.6304 0.6304 1.1235 1.1235 1.4836 1.4836 1.5184 1.5184 2.9648 2.9648 2.9917 2.9917 3.2160 3.2160 5.7259 5.7259 5.8343 5.8343 6.1280 6.1280 7.4702 7.4702 8.4992 8.4992 13.4170 13.4170 13.9103 13.9103 13.9750 13.9750 14.9908 14.9908 k = 0.5000 0.5000 0.2632 ( 3960 PWs) bands (ev): -77.3096 -77.3096 -46.1432 -46.1432 -41.6828 -41.6828 -41.6816 -41.6816 -22.4931 -22.4931 -16.2452 -16.2452 -16.1905 -16.1905 -16.1769 -16.1769 -6.2214 -6.2214 -5.9737 -5.9737 -5.9429 -5.9429 -0.1786 -0.1786 -0.0032 -0.0032 0.5662 0.5662 1.1332 1.1332 1.4586 1.4586 1.4936 1.4936 2.9893 2.9893 3.0158 3.0158 3.2166 3.2166 5.7447 5.7447 5.8472 5.8472 6.1340 6.1340 7.5608 7.5608 8.4993 8.4993 13.4164 13.4164 13.8621 13.8621 13.9266 13.9266 15.0552 15.0552 k = 0.5000 0.5000 0.2763 ( 3960 PWs) bands (ev): -77.3096 -77.3096 -46.1432 -46.1432 -41.6828 -41.6828 -41.6817 -41.6817 -22.4928 -22.4928 -16.2398 -16.2398 -16.1900 -16.1900 -16.1766 -16.1766 -6.2243 -6.2243 -5.9756 -5.9756 -5.9478 -5.9478 -0.1797 -0.1797 -0.0030 -0.0030 0.5043 0.5043 1.1428 1.1428 1.4347 1.4347 1.4698 1.4698 3.0126 3.0126 3.0387 3.0387 3.2172 3.2172 5.7633 5.7633 5.8596 5.8596 6.1403 6.1403 7.6496 7.6496 8.4994 8.4994 13.4157 13.4157 13.8156 13.8156 13.8798 13.8798 15.1220 15.1220 k = 0.5000 0.5000 0.2895 ( 3968 PWs) bands (ev): -77.3096 -77.3096 -46.1433 -46.1433 -41.6828 -41.6828 -41.6818 -41.6818 -22.4926 -22.4926 -16.2344 -16.2344 -16.1894 -16.1894 -16.1762 -16.1762 -6.2271 -6.2271 -5.9776 -5.9776 -5.9526 -5.9526 -0.1812 -0.1812 -0.0028 -0.0028 0.4448 0.4448 1.1523 1.1523 1.4118 1.4118 1.4471 1.4471 3.0347 3.0347 3.0604 3.0604 3.2178 3.2178 5.7816 5.7816 5.8714 5.8714 6.1470 6.1470 7.7361 7.7361 8.4994 8.4994 13.4149 13.4149 13.7710 13.7710 13.8347 13.8347 15.1909 15.1909 k = 0.5000 0.5000 0.3026 ( 3960 PWs) bands (ev): -77.3095 -77.3095 -46.1433 -46.1433 -41.6828 -41.6828 -41.6819 -41.6819 -22.4924 -22.4924 -16.2293 -16.2293 -16.1888 -16.1888 -16.1759 -16.1759 -6.2298 -6.2298 -5.9794 -5.9794 -5.9572 -5.9572 -0.1830 -0.1830 -0.0025 -0.0025 0.3882 0.3882 1.1615 1.1615 1.3902 1.3902 1.4257 1.4257 3.0555 3.0555 3.0810 3.0810 3.2185 3.2185 5.7998 5.7998 5.8827 5.8827 6.1542 6.1542 7.8198 7.8198 8.4995 8.4995 13.4139 13.4139 13.7284 13.7284 13.7916 13.7916 15.2616 15.2616 k = 0.5000 0.5000 0.3158 ( 3968 PWs) bands (ev): -77.3096 -77.3096 -46.1433 -46.1433 -41.6828 -41.6828 -41.6820 -41.6820 -22.4922 -22.4922 -16.2243 -16.2243 -16.1881 -16.1881 -16.1756 -16.1756 -6.2325 -6.2325 -5.9813 -5.9813 -5.9617 -5.9617 -0.1853 -0.1853 -0.0023 -0.0023 0.3348 0.3348 1.1704 1.1704 1.3697 1.3697 1.4055 1.4055 3.0751 3.0751 3.1003 3.1003 3.2191 3.2191 5.8175 5.8175 5.8932 5.8932 6.1618 6.1618 7.9001 7.9001 8.4996 8.4996 13.4126 13.4126 13.6882 13.6882 13.7505 13.7505 15.3338 15.3338 k = 0.5000 0.5000 0.3289 ( 3960 PWs) bands (ev): -77.3095 -77.3095 -46.1433 -46.1433 -41.6828 -41.6828 -41.6821 -41.6821 -22.4919 -22.4919 -16.2197 -16.2197 -16.1873 -16.1873 -16.1753 -16.1753 -6.2351 -6.2351 -5.9830 -5.9830 -5.9659 -5.9659 -0.1881 -0.1881 -0.0021 -0.0021 0.2849 0.2849 1.1789 1.1789 1.3505 1.3505 1.3866 1.3866 3.0933 3.0933 3.1183 3.1183 3.2198 3.2198 5.8348 5.8348 5.9030 5.9030 6.1697 6.1697 7.9768 7.9768 8.4997 8.4997 13.4111 13.4111 13.6505 13.6505 13.7116 13.7116 15.4069 15.4069 k = 0.5000 0.5000 0.3421 ( 3952 PWs) bands (ev): -77.3095 -77.3095 -46.1433 -46.1433 -41.6828 -41.6828 -41.6822 -41.6822 -22.4917 -22.4917 -16.2153 -16.2153 -16.1865 -16.1865 -16.1750 -16.1750 -6.2376 -6.2376 -5.9847 -5.9847 -5.9700 -5.9700 -0.1915 -0.1915 -0.0019 -0.0019 0.2387 0.2387 1.1870 1.1870 1.3327 1.3327 1.3691 1.3691 3.1101 3.1101 3.1351 3.1351 3.2205 3.2205 5.8513 5.8513 5.9119 5.9119 6.1777 6.1777 8.0496 8.0496 8.4997 8.4997 13.4091 13.4091 13.6155 13.6155 13.6751 13.6751 15.4802 15.4802 k = 0.5000 0.5000 0.3553 ( 3960 PWs) bands (ev): -77.3095 -77.3095 -46.1434 -46.1434 -41.6828 -41.6828 -41.6823 -41.6823 -22.4916 -22.4916 -16.2114 -16.2114 -16.1855 -16.1855 -16.1747 -16.1747 -6.2400 -6.2400 -5.9863 -5.9863 -5.9738 -5.9738 -0.1956 -0.1956 -0.0018 -0.0018 0.1965 0.1965 1.1944 1.1944 1.3161 1.3161 1.3530 1.3530 3.1255 3.1255 3.1505 3.1505 3.2213 3.2213 5.8670 5.8670 5.9199 5.9199 6.1857 6.1857 8.1180 8.1180 8.4997 8.4997 13.4066 13.4066 13.5835 13.5835 13.6409 13.6409 15.5528 15.5528 k = 0.5000 0.5000 0.3684 ( 3944 PWs) bands (ev): -77.3095 -77.3095 -46.1434 -46.1434 -41.6828 -41.6828 -41.6824 -41.6824 -22.4914 -22.4914 -16.2078 -16.2078 -16.1843 -16.1843 -16.1745 -16.1745 -6.2422 -6.2422 -5.9878 -5.9878 -5.9774 -5.9774 -0.2004 -0.2004 -0.0015 -0.0015 0.1587 0.1587 1.2013 1.2013 1.3009 1.3009 1.3383 1.3383 3.1396 3.1396 3.1647 3.1647 3.2221 3.2221 5.8819 5.8819 5.9272 5.9272 6.1937 6.1937 8.1816 8.1816 8.4998 8.4998 13.4034 13.4034 13.5549 13.5549 13.6094 13.6094 15.6235 15.6235 k = 0.5000 0.5000 0.3816 ( 3944 PWs) bands (ev): -77.3095 -77.3095 -46.1434 -46.1434 -41.6828 -41.6828 -41.6824 -41.6824 -22.4912 -22.4912 -16.2048 -16.2048 -16.1830 -16.1830 -16.1742 -16.1742 -6.2443 -6.2443 -5.9892 -5.9892 -5.9807 -5.9807 -0.2059 -0.2059 -0.0013 -0.0013 0.1251 0.1251 1.2075 1.2075 1.2870 1.2870 1.3252 1.3252 3.1521 3.1521 3.1775 3.1775 3.2230 3.2230 5.8957 5.8957 5.9336 5.9336 6.2015 6.2015 8.2401 8.2401 8.4998 8.4998 13.3991 13.3991 13.5299 13.5299 13.5805 13.5805 15.6909 15.6909 k = 0.5000 0.5000 0.3947 ( 3944 PWs) bands (ev): -77.3095 -77.3095 -46.1434 -46.1434 -41.6828 -41.6828 -41.6825 -41.6825 -22.4911 -22.4911 -16.2023 -16.2023 -16.1816 -16.1816 -16.1740 -16.1740 -6.2463 -6.2463 -5.9904 -5.9904 -5.9837 -5.9837 -0.2120 -0.2120 -0.0012 -0.0012 0.0959 0.0959 1.2129 1.2129 1.2746 1.2746 1.3136 1.3136 3.1632 3.1632 3.1889 3.1889 3.2239 3.2239 5.9084 5.9084 5.9392 5.9392 6.2089 6.2089 8.2932 8.2932 8.4999 8.4999 13.3937 13.3937 13.5089 13.5089 13.5544 13.5544 15.7532 15.7532 k = 0.5000 0.5000 0.4079 ( 3932 PWs) bands (ev): -77.3095 -77.3095 -46.1434 -46.1434 -41.6828 -41.6828 -41.6826 -41.6826 -22.4909 -22.4909 -16.2003 -16.2003 -16.1801 -16.1801 -16.1738 -16.1738 -6.2480 -6.2480 -5.9915 -5.9915 -5.9864 -5.9864 -0.2186 -0.2186 -0.0010 -0.0010 0.0710 0.0710 1.2176 1.2176 1.2636 1.2636 1.3037 1.3037 3.1728 3.1728 3.1991 3.1991 3.2251 3.2251 5.9199 5.9199 5.9441 5.9441 6.2159 6.2159 8.3408 8.3408 8.5000 8.5000 13.3871 13.3871 13.4920 13.4920 13.5312 13.5312 15.8086 15.8086 k = 0.5000 0.5000 0.4211 ( 3932 PWs) bands (ev): -77.3095 -77.3095 -46.1434 -46.1434 -41.6828 -41.6828 -41.6826 -41.6826 -22.4908 -22.4908 -16.1987 -16.1987 -16.1785 -16.1785 -16.1736 -16.1736 -6.2495 -6.2495 -5.9925 -5.9925 -5.9887 -5.9887 -0.2254 -0.2254 -0.0009 -0.0009 0.0504 0.0504 1.2212 1.2212 1.2540 1.2540 1.2955 1.2955 3.1808 3.1808 3.2078 3.2078 3.2262 3.2262 5.9301 5.9301 5.9482 5.9482 6.2223 6.2223 8.3825 8.3825 8.5001 8.5001 13.3794 13.3794 13.4791 13.4791 13.5108 13.5108 15.8554 15.8554 k = 0.5000 0.5000 0.4342 ( 3936 PWs) bands (ev): -77.3095 -77.3095 -46.1434 -46.1434 -41.6828 -41.6828 -41.6827 -41.6827 -22.4907 -22.4907 -16.1975 -16.1975 -16.1771 -16.1771 -16.1735 -16.1735 -6.2509 -6.2509 -5.9934 -5.9934 -5.9908 -5.9908 -0.2322 -0.2322 -0.0007 -0.0007 0.0337 0.0337 1.2239 1.2239 1.2458 1.2458 1.2889 1.2889 3.1873 3.1873 3.2152 3.2152 3.2276 3.2276 5.9388 5.9388 5.9517 5.9517 6.2279 6.2279 8.4179 8.4179 8.5001 8.5001 13.3713 13.3713 13.4697 13.4697 13.4935 13.4935 15.8929 15.8929 k = 0.5000 0.5000 0.4474 ( 3936 PWs) bands (ev): -77.3095 -77.3095 -46.1435 -46.1435 -41.6828 -41.6828 -41.6827 -41.6827 -22.4906 -22.4906 -16.1966 -16.1966 -16.1757 -16.1757 -16.1734 -16.1734 -6.2520 -6.2520 -5.9941 -5.9941 -5.9924 -5.9924 -0.2384 -0.2384 -0.0007 -0.0007 0.0207 0.0207 1.2256 1.2256 1.2391 1.2391 1.2840 1.2840 3.1924 3.1924 3.2213 3.2213 3.2289 3.2289 5.9460 5.9460 5.9544 5.9544 6.2326 6.2326 8.4473 8.4473 8.5001 8.5001 13.3634 13.3634 13.4631 13.4631 13.4793 13.4793 15.9213 15.9213 k = 0.5000 0.5000 0.4605 ( 3924 PWs) bands (ev): -77.3095 -77.3095 -46.1435 -46.1435 -41.6828 -41.6828 -41.6827 -41.6827 -22.4905 -22.4905 -16.1959 -16.1959 -16.1746 -16.1746 -16.1732 -16.1732 -6.2528 -6.2528 -5.9947 -5.9947 -5.9937 -5.9937 -0.2438 -0.2438 -0.0006 -0.0006 0.0111 0.0111 1.2267 1.2267 1.2340 1.2340 1.2806 1.2806 3.1961 3.1961 3.2260 3.2260 3.2302 3.2302 5.9518 5.9518 5.9566 5.9566 6.2364 6.2364 8.4703 8.4703 8.5002 8.5002 13.3566 13.3566 13.4586 13.4587 13.4681 13.4681 15.9415 15.9415 k = 0.5000 0.5000 0.4737 ( 3912 PWs) bands (ev): -77.3095 -77.3095 -46.1435 -46.1435 -41.6828 -41.6828 -41.6828 -41.6828 -22.4905 -22.4905 -16.1955 -16.1955 -16.1738 -16.1738 -16.1732 -16.1732 -6.2534 -6.2534 -5.9951 -5.9951 -5.9946 -5.9946 -0.2479 -0.2479 -0.0006 -0.0006 0.0047 0.0047 1.2272 1.2272 1.2303 1.2303 1.2784 1.2784 3.1986 3.1986 3.2295 3.2295 3.2312 3.2312 5.9559 5.9559 5.9581 5.9581 6.2392 6.2392 8.4870 8.4870 8.5002 8.5002 13.3514 13.3514 13.4558 13.4558 13.4602 13.4602 15.9548 15.9548 k = 0.5000 0.5000 0.4868 ( 3912 PWs) bands (ev): -77.3095 -77.3095 -46.1435 -46.1435 -41.6828 -41.6828 -41.6828 -41.6828 -22.4905 -22.4905 -16.1953 -16.1953 -16.1733 -16.1733 -16.1731 -16.1731 -6.2538 -6.2538 -5.9953 -5.9953 -5.9952 -5.9952 -0.2505 -0.2505 -0.0005 -0.0005 0.0008 0.0008 1.2273 1.2273 1.2281 1.2281 1.2772 1.2772 3.2001 3.2001 3.2315 3.2315 3.2319 3.2319 5.9584 5.9584 5.9589 5.9589 6.2409 6.2409 8.4969 8.4969 8.5002 8.5002 13.3481 13.3481 13.4543 13.4543 13.4554 13.4554 15.9623 15.9623 k = 0.5000 0.5000 0.5000 ( 3912 PWs) bands (ev): -77.3095 -77.3095 -46.1435 -46.1435 -41.6828 -41.6828 -41.6828 -41.6828 -22.4905 -22.4905 -16.1952 -16.1952 -16.1731 -16.1731 -16.1731 -16.1731 -6.2539 -6.2539 -5.9954 -5.9954 -5.9954 -5.9954 -0.2513 -0.2513 -0.0005 -0.0005 -0.0005 -0.0005 1.2274 1.2274 1.2274 1.2274 1.2768 1.2768 3.2005 3.2005 3.2322 3.2322 3.2322 3.2322 5.9592 5.9592 5.9592 5.9592 6.2414 6.2414 8.5002 8.5002 8.5002 8.5002 13.3469 13.3469 13.4538 13.4538 13.4538 13.4538 15.9647 15.9647 Writing output data file KPdF3.save init_run : 0.53s CPU 0.71s WALL ( 1 calls) electrons : 139.57s CPU 142.25s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.02s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 139.55s CPU 142.24s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.00s WALL ( 1 calls) newd : 0.08s CPU 0.12s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.05s WALL ( 291 calls) cegterg : 130.15s CPU 132.02s WALL ( 423 calls) Called by sum_band: Called by *egterg: h_psi : 67.74s CPU 69.24s WALL ( 7434 calls) s_psi : 3.42s CPU 3.35s WALL ( 7434 calls) g_psi : 0.19s CPU 0.21s WALL ( 6720 calls) cdiaghg : 51.33s CPU 52.14s WALL ( 7011 calls) cegterg:over : 5.14s CPU 5.27s WALL ( 6720 calls) cegterg:upda : 4.78s CPU 4.57s WALL ( 6720 calls) cegterg:last : 2.52s CPU 2.57s WALL ( 1005 calls) cdiaghg:chol : 2.94s CPU 2.90s WALL ( 7011 calls) cdiaghg:inve : 1.94s CPU 2.01s WALL ( 7011 calls) cdiaghg:para : 3.24s CPU 3.14s WALL ( 14022 calls) Called by h_psi: h_psi:vloc : 59.97s CPU 61.32s WALL ( 7434 calls) h_psi:vnl : 7.55s CPU 7.71s WALL ( 7434 calls) add_vuspsi : 3.72s CPU 3.82s WALL ( 7434 calls) General routines calbec : 3.82s CPU 3.87s WALL ( 7434 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 55.45s CPU 56.80s WALL ( 717180 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.13s CPU 0.20s WALL ( 582 calls) Parallel routines fft_scatter : 20.84s CPU 21.16s WALL ( 717203 calls) PWSCF : 2m35.22s CPU 2m48.41s WALL This run was terminated on: 17:50:48 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=