Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:44:26 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: ./MgPd.save/ file Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P 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 41 18 5 1215 342 59 Max 42 19 6 1222 357 64 Sum 1489 657 213 43819 12533 2205 bravais-lattice index = 14 lattice parameter (alat) = 5.8959 a.u. unit-cell volume = 204.9558 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 28.00 number of Kohn-Sham states= 36 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)= 5.895945 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 Mg read from file: /users/gautes/Pseudo/Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 99618f2d1dea131ec68d28ce241ef835 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1129 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 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 Mg 10.00 24.30500 Mg( 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= 391 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025575 k( 2) = ( 0.0000000 0.0098039 -0.0000000), wk = 0.0025575 k( 3) = ( 0.0000000 0.0196078 -0.0000000), wk = 0.0025575 k( 4) = ( 0.0000000 0.0294118 -0.0000000), wk = 0.0025575 k( 5) = ( 0.0000000 0.0392157 -0.0000000), wk = 0.0025575 k( 6) = ( 0.0000000 0.0490196 -0.0000000), wk = 0.0025575 k( 7) = ( 0.0000000 0.0588235 -0.0000000), wk = 0.0025575 k( 8) = ( 0.0000000 0.0686275 -0.0000000), wk = 0.0025575 k( 9) = ( 0.0000000 0.0784314 -0.0000000), wk = 0.0025575 k( 10) = ( 0.0000000 0.0882353 -0.0000000), wk = 0.0025575 k( 11) = ( 0.0000000 0.0980392 -0.0000000), wk = 0.0025575 k( 12) = ( 0.0000000 0.1078431 -0.0000000), wk = 0.0025575 k( 13) = ( 0.0000000 0.1176471 -0.0000000), wk = 0.0025575 k( 14) = ( 0.0000000 0.1274510 -0.0000000), wk = 0.0025575 k( 15) = ( 0.0000000 0.1372549 -0.0000000), wk = 0.0025575 k( 16) = ( 0.0000000 0.1470588 -0.0000000), wk = 0.0025575 k( 17) = ( 0.0000000 0.1568627 -0.0000000), wk = 0.0025575 k( 18) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0025575 k( 19) = ( 0.0000000 0.1764706 -0.0000000), wk = 0.0025575 k( 20) = ( 0.0000000 0.1862745 -0.0000000), wk = 0.0025575 k( 21) = ( 0.0000000 0.1960784 -0.0000000), wk = 0.0025575 k( 22) = ( 0.0000000 0.2058823 -0.0000000), wk = 0.0025575 k( 23) = ( 0.0000000 0.2156863 -0.0000000), wk = 0.0025575 k( 24) = ( 0.0000000 0.2254902 -0.0000000), wk = 0.0025575 k( 25) = ( 0.0000000 0.2352941 -0.0000000), wk = 0.0025575 k( 26) = ( 0.0000000 0.2450980 -0.0000000), wk = 0.0025575 k( 27) = ( 0.0000000 0.2549020 -0.0000000), wk = 0.0025575 k( 28) = ( 0.0000000 0.2647059 -0.0000000), wk = 0.0025575 k( 29) = ( 0.0000000 0.2745098 -0.0000000), wk = 0.0025575 k( 30) = ( 0.0000000 0.2843137 -0.0000000), wk = 0.0025575 k( 31) = ( 0.0000000 0.2941177 -0.0000000), wk = 0.0025575 k( 32) = ( 0.0000000 0.3039216 -0.0000000), wk = 0.0025575 k( 33) = ( 0.0000000 0.3137255 -0.0000000), wk = 0.0025575 k( 34) = ( 0.0000000 0.3235294 -0.0000000), wk = 0.0025575 k( 35) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0025575 k( 36) = ( 0.0000000 0.3431373 -0.0000000), wk = 0.0025575 k( 37) = ( 0.0000000 0.3529412 -0.0000000), wk = 0.0025575 k( 38) = ( 0.0000000 0.3627451 -0.0000000), wk = 0.0025575 k( 39) = ( 0.0000000 0.3725490 -0.0000000), wk = 0.0025575 k( 40) = ( 0.0000000 0.3823529 -0.0000000), wk = 0.0025575 k( 41) = ( 0.0000000 0.3921569 -0.0000000), wk = 0.0025575 k( 42) = ( 0.0000000 0.4019608 -0.0000000), wk = 0.0025575 k( 43) = ( 0.0000000 0.4117647 -0.0000000), wk = 0.0025575 k( 44) = ( 0.0000000 0.4215686 -0.0000000), wk = 0.0025575 k( 45) = ( 0.0000000 0.4313726 -0.0000000), wk = 0.0025575 k( 46) = ( 0.0000000 0.4411765 -0.0000000), wk = 0.0025575 k( 47) = ( 0.0000000 0.4509804 -0.0000000), wk = 0.0025575 k( 48) = ( 0.0000000 0.4607843 -0.0000000), wk = 0.0025575 k( 49) = ( 0.0000000 0.4705882 -0.0000000), wk = 0.0025575 k( 50) = ( 0.0000000 0.4803922 -0.0000000), wk = 0.0025575 k( 51) = ( 0.0000000 0.4901961 -0.0000000), wk = 0.0025575 k( 52) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025575 k( 53) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025575 k( 54) = ( 0.0098039 0.5000000 -0.0000000), wk = 0.0025575 k( 55) = ( 0.0196078 0.5000000 -0.0000000), wk = 0.0025575 k( 56) = ( 0.0294118 0.5000000 -0.0000000), wk = 0.0025575 k( 57) = ( 0.0392157 0.5000000 -0.0000000), wk = 0.0025575 k( 58) = ( 0.0490196 0.5000000 -0.0000000), wk = 0.0025575 k( 59) = ( 0.0588235 0.5000000 -0.0000000), wk = 0.0025575 k( 60) = ( 0.0686275 0.5000000 -0.0000000), wk = 0.0025575 k( 61) = ( 0.0784314 0.5000000 -0.0000000), wk = 0.0025575 k( 62) = ( 0.0882353 0.5000000 -0.0000000), wk = 0.0025575 k( 63) = ( 0.0980392 0.5000000 -0.0000000), wk = 0.0025575 k( 64) = ( 0.1078431 0.5000000 -0.0000000), wk = 0.0025575 k( 65) = ( 0.1176471 0.5000000 -0.0000000), wk = 0.0025575 k( 66) = ( 0.1274510 0.5000000 -0.0000000), wk = 0.0025575 k( 67) = ( 0.1372549 0.5000000 -0.0000000), wk = 0.0025575 k( 68) = ( 0.1470588 0.5000000 -0.0000000), wk = 0.0025575 k( 69) = ( 0.1568627 0.5000000 -0.0000000), wk = 0.0025575 k( 70) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0025575 k( 71) = ( 0.1764706 0.5000000 -0.0000000), wk = 0.0025575 k( 72) = ( 0.1862745 0.5000000 -0.0000000), wk = 0.0025575 k( 73) = ( 0.1960784 0.5000000 -0.0000000), wk = 0.0025575 k( 74) = ( 0.2058823 0.5000000 -0.0000000), wk = 0.0025575 k( 75) = ( 0.2156863 0.5000000 -0.0000000), wk = 0.0025575 k( 76) = ( 0.2254902 0.5000000 -0.0000000), wk = 0.0025575 k( 77) = ( 0.2352941 0.5000000 -0.0000000), wk = 0.0025575 k( 78) = ( 0.2450980 0.5000000 -0.0000000), wk = 0.0025575 k( 79) = ( 0.2549020 0.5000000 -0.0000000), wk = 0.0025575 k( 80) = ( 0.2647059 0.5000000 -0.0000000), wk = 0.0025575 k( 81) = ( 0.2745098 0.5000000 -0.0000000), wk = 0.0025575 k( 82) = ( 0.2843137 0.5000000 -0.0000000), wk = 0.0025575 k( 83) = ( 0.2941177 0.5000000 -0.0000000), wk = 0.0025575 k( 84) = ( 0.3039216 0.5000000 -0.0000000), wk = 0.0025575 k( 85) = ( 0.3137255 0.5000000 -0.0000000), wk = 0.0025575 k( 86) = ( 0.3235294 0.5000000 -0.0000000), wk = 0.0025575 k( 87) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0025575 k( 88) = ( 0.3431373 0.5000000 -0.0000000), wk = 0.0025575 k( 89) = ( 0.3529412 0.5000000 -0.0000000), wk = 0.0025575 k( 90) = ( 0.3627451 0.5000000 -0.0000000), wk = 0.0025575 k( 91) = ( 0.3725490 0.5000000 -0.0000000), wk = 0.0025575 k( 92) = ( 0.3823529 0.5000000 -0.0000000), wk = 0.0025575 k( 93) = ( 0.3921569 0.5000000 -0.0000000), wk = 0.0025575 k( 94) = ( 0.4019608 0.5000000 -0.0000000), wk = 0.0025575 k( 95) = ( 0.4117647 0.5000000 -0.0000000), wk = 0.0025575 k( 96) = ( 0.4215686 0.5000000 -0.0000000), wk = 0.0025575 k( 97) = ( 0.4313726 0.5000000 -0.0000000), wk = 0.0025575 k( 98) = ( 0.4411765 0.5000000 -0.0000000), wk = 0.0025575 k( 99) = ( 0.4509804 0.5000000 -0.0000000), wk = 0.0025575 k( 100) = ( 0.4607843 0.5000000 -0.0000000), wk = 0.0025575 k( 101) = ( 0.4705882 0.5000000 -0.0000000), wk = 0.0025575 k( 102) = ( 0.4803922 0.5000000 -0.0000000), wk = 0.0025575 k( 103) = ( 0.4901961 0.5000000 -0.0000000), wk = 0.0025575 k( 104) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0025575 k( 105) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0025575 k( 106) = ( 0.4930556 0.4930556 -0.0000000), wk = 0.0025575 k( 107) = ( 0.4861111 0.4861111 -0.0000000), wk = 0.0025575 k( 108) = ( 0.4791667 0.4791667 -0.0000000), wk = 0.0025575 k( 109) = ( 0.4722222 0.4722222 -0.0000000), wk = 0.0025575 k( 110) = ( 0.4652778 0.4652778 -0.0000000), wk = 0.0025575 k( 111) = ( 0.4583333 0.4583333 -0.0000000), wk = 0.0025575 k( 112) = ( 0.4513889 0.4513889 -0.0000000), wk = 0.0025575 k( 113) = ( 0.4444444 0.4444444 -0.0000000), wk = 0.0025575 k( 114) = ( 0.4375000 0.4375000 -0.0000000), wk = 0.0025575 k( 115) = ( 0.4305556 0.4305556 -0.0000000), wk = 0.0025575 k( 116) = ( 0.4236111 0.4236111 -0.0000000), wk = 0.0025575 k( 117) = ( 0.4166667 0.4166667 -0.0000000), wk = 0.0025575 k( 118) = ( 0.4097222 0.4097222 -0.0000000), wk = 0.0025575 k( 119) = ( 0.4027778 0.4027778 -0.0000000), wk = 0.0025575 k( 120) = ( 0.3958333 0.3958333 -0.0000000), wk = 0.0025575 k( 121) = ( 0.3888889 0.3888889 -0.0000000), wk = 0.0025575 k( 122) = ( 0.3819444 0.3819444 -0.0000000), wk = 0.0025575 k( 123) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0025575 k( 124) = ( 0.3680556 0.3680556 -0.0000000), wk = 0.0025575 k( 125) = ( 0.3611111 0.3611111 -0.0000000), wk = 0.0025575 k( 126) = ( 0.3541667 0.3541667 -0.0000000), wk = 0.0025575 k( 127) = ( 0.3472222 0.3472222 -0.0000000), wk = 0.0025575 k( 128) = ( 0.3402778 0.3402778 -0.0000000), wk = 0.0025575 k( 129) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0025575 k( 130) = ( 0.3263889 0.3263889 -0.0000000), wk = 0.0025575 k( 131) = ( 0.3194444 0.3194444 -0.0000000), wk = 0.0025575 k( 132) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0025575 k( 133) = ( 0.3055556 0.3055556 -0.0000000), wk = 0.0025575 k( 134) = ( 0.2986111 0.2986111 -0.0000000), wk = 0.0025575 k( 135) = ( 0.2916667 0.2916667 -0.0000000), wk = 0.0025575 k( 136) = ( 0.2847222 0.2847222 -0.0000000), wk = 0.0025575 k( 137) = ( 0.2777778 0.2777778 -0.0000000), wk = 0.0025575 k( 138) = ( 0.2708333 0.2708333 -0.0000000), wk = 0.0025575 k( 139) = ( 0.2638889 0.2638889 -0.0000000), wk = 0.0025575 k( 140) = ( 0.2569444 0.2569444 -0.0000000), wk = 0.0025575 k( 141) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0025575 k( 142) = ( 0.2430556 0.2430556 -0.0000000), wk = 0.0025575 k( 143) = ( 0.2361111 0.2361111 -0.0000000), wk = 0.0025575 k( 144) = ( 0.2291667 0.2291667 -0.0000000), wk = 0.0025575 k( 145) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0025575 k( 146) = ( 0.2152778 0.2152778 -0.0000000), wk = 0.0025575 k( 147) = ( 0.2083333 0.2083333 -0.0000000), wk = 0.0025575 k( 148) = ( 0.2013889 0.2013889 -0.0000000), wk = 0.0025575 k( 149) = ( 0.1944444 0.1944444 -0.0000000), wk = 0.0025575 k( 150) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0025575 k( 151) = ( 0.1805556 0.1805556 -0.0000000), wk = 0.0025575 k( 152) = ( 0.1736111 0.1736111 -0.0000000), wk = 0.0025575 k( 153) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0025575 k( 154) = ( 0.1597222 0.1597222 -0.0000000), wk = 0.0025575 k( 155) = ( 0.1527778 0.1527778 -0.0000000), wk = 0.0025575 k( 156) = ( 0.1458333 0.1458333 -0.0000000), wk = 0.0025575 k( 157) = ( 0.1388889 0.1388889 -0.0000000), wk = 0.0025575 k( 158) = ( 0.1319444 0.1319444 -0.0000000), wk = 0.0025575 k( 159) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0025575 k( 160) = ( 0.1180556 0.1180556 -0.0000000), wk = 0.0025575 k( 161) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0025575 k( 162) = ( 0.1041667 0.1041667 -0.0000000), wk = 0.0025575 k( 163) = ( 0.0972222 0.0972222 -0.0000000), wk = 0.0025575 k( 164) = ( 0.0902778 0.0902778 -0.0000000), wk = 0.0025575 k( 165) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0025575 k( 166) = ( 0.0763889 0.0763889 -0.0000000), wk = 0.0025575 k( 167) = ( 0.0694444 0.0694444 -0.0000000), wk = 0.0025575 k( 168) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0025575 k( 169) = ( 0.0555556 0.0555556 -0.0000000), wk = 0.0025575 k( 170) = ( 0.0486111 0.0486111 -0.0000000), wk = 0.0025575 k( 171) = ( 0.0416667 0.0416667 -0.0000000), wk = 0.0025575 k( 172) = ( 0.0347222 0.0347222 -0.0000000), wk = 0.0025575 k( 173) = ( 0.0277778 0.0277778 -0.0000000), wk = 0.0025575 k( 174) = ( 0.0208333 0.0208333 -0.0000000), wk = 0.0025575 k( 175) = ( 0.0138889 0.0138889 -0.0000000), wk = 0.0025575 k( 176) = ( 0.0069444 0.0069444 -0.0000000), wk = 0.0025575 k( 177) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025575 k( 178) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025575 k( 179) = ( 0.0056818 0.0056818 0.0056818), wk = 0.0025575 k( 180) = ( 0.0113636 0.0113636 0.0113636), wk = 0.0025575 k( 181) = ( 0.0170455 0.0170455 0.0170454), wk = 0.0025575 k( 182) = ( 0.0227273 0.0227273 0.0227273), wk = 0.0025575 k( 183) = ( 0.0284091 0.0284091 0.0284091), wk = 0.0025575 k( 184) = ( 0.0340909 0.0340909 0.0340909), wk = 0.0025575 k( 185) = ( 0.0397727 0.0397727 0.0397727), wk = 0.0025575 k( 186) = ( 0.0454546 0.0454545 0.0454545), wk = 0.0025575 k( 187) = ( 0.0511364 0.0511364 0.0511364), wk = 0.0025575 k( 188) = ( 0.0568182 0.0568182 0.0568182), wk = 0.0025575 k( 189) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0025575 k( 190) = ( 0.0681818 0.0681818 0.0681818), wk = 0.0025575 k( 191) = ( 0.0738636 0.0738636 0.0738636), wk = 0.0025575 k( 192) = ( 0.0795455 0.0795454 0.0795454), wk = 0.0025575 k( 193) = ( 0.0852273 0.0852273 0.0852273), wk = 0.0025575 k( 194) = ( 0.0909091 0.0909091 0.0909091), wk = 0.0025575 k( 195) = ( 0.0965909 0.0965909 0.0965909), wk = 0.0025575 k( 196) = ( 0.1022727 0.1022727 0.1022727), wk = 0.0025575 k( 197) = ( 0.1079545 0.1079545 0.1079545), wk = 0.0025575 k( 198) = ( 0.1136364 0.1136364 0.1136364), wk = 0.0025575 k( 199) = ( 0.1193182 0.1193182 0.1193182), wk = 0.0025575 k( 200) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0025575 k( 201) = ( 0.1306818 0.1306818 0.1306818), wk = 0.0025575 k( 202) = ( 0.1363636 0.1363636 0.1363636), wk = 0.0025575 k( 203) = ( 0.1420454 0.1420454 0.1420454), wk = 0.0025575 k( 204) = ( 0.1477273 0.1477273 0.1477273), wk = 0.0025575 k( 205) = ( 0.1534091 0.1534091 0.1534091), wk = 0.0025575 k( 206) = ( 0.1590909 0.1590909 0.1590909), wk = 0.0025575 k( 207) = ( 0.1647727 0.1647727 0.1647727), wk = 0.0025575 k( 208) = ( 0.1704546 0.1704545 0.1704545), wk = 0.0025575 k( 209) = ( 0.1761364 0.1761364 0.1761364), wk = 0.0025575 k( 210) = ( 0.1818182 0.1818182 0.1818182), wk = 0.0025575 k( 211) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0025575 k( 212) = ( 0.1931818 0.1931818 0.1931818), wk = 0.0025575 k( 213) = ( 0.1988636 0.1988636 0.1988636), wk = 0.0025575 k( 214) = ( 0.2045454 0.2045454 0.2045454), wk = 0.0025575 k( 215) = ( 0.2102273 0.2102273 0.2102273), wk = 0.0025575 k( 216) = ( 0.2159091 0.2159091 0.2159091), wk = 0.0025575 k( 217) = ( 0.2215909 0.2215909 0.2215909), wk = 0.0025575 k( 218) = ( 0.2272727 0.2272727 0.2272727), wk = 0.0025575 k( 219) = ( 0.2329546 0.2329545 0.2329545), wk = 0.0025575 k( 220) = ( 0.2386364 0.2386364 0.2386364), wk = 0.0025575 k( 221) = ( 0.2443182 0.2443182 0.2443182), wk = 0.0025575 k( 222) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0025575 k( 223) = ( 0.2556818 0.2556818 0.2556818), wk = 0.0025575 k( 224) = ( 0.2613636 0.2613636 0.2613636), wk = 0.0025575 k( 225) = ( 0.2670455 0.2670455 0.2670454), wk = 0.0025575 k( 226) = ( 0.2727273 0.2727273 0.2727273), wk = 0.0025575 k( 227) = ( 0.2784091 0.2784091 0.2784091), wk = 0.0025575 k( 228) = ( 0.2840909 0.2840909 0.2840909), wk = 0.0025575 k( 229) = ( 0.2897727 0.2897727 0.2897727), wk = 0.0025575 k( 230) = ( 0.2954545 0.2954545 0.2954545), wk = 0.0025575 k( 231) = ( 0.3011364 0.3011364 0.3011364), wk = 0.0025575 k( 232) = ( 0.3068182 0.3068182 0.3068182), wk = 0.0025575 k( 233) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0025575 k( 234) = ( 0.3181818 0.3181818 0.3181818), wk = 0.0025575 k( 235) = ( 0.3238636 0.3238636 0.3238636), wk = 0.0025575 k( 236) = ( 0.3295455 0.3295454 0.3295454), wk = 0.0025575 k( 237) = ( 0.3352273 0.3352273 0.3352273), wk = 0.0025575 k( 238) = ( 0.3409091 0.3409091 0.3409091), wk = 0.0025575 k( 239) = ( 0.3465909 0.3465909 0.3465909), wk = 0.0025575 k( 240) = ( 0.3522727 0.3522727 0.3522727), wk = 0.0025575 k( 241) = ( 0.3579545 0.3579545 0.3579545), wk = 0.0025575 k( 242) = ( 0.3636364 0.3636364 0.3636364), wk = 0.0025575 k( 243) = ( 0.3693182 0.3693182 0.3693182), wk = 0.0025575 k( 244) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0025575 k( 245) = ( 0.3806818 0.3806818 0.3806818), wk = 0.0025575 k( 246) = ( 0.3863636 0.3863636 0.3863636), wk = 0.0025575 k( 247) = ( 0.3920455 0.3920454 0.3920454), wk = 0.0025575 k( 248) = ( 0.3977273 0.3977273 0.3977273), wk = 0.0025575 k( 249) = ( 0.4034091 0.4034091 0.4034091), wk = 0.0025575 k( 250) = ( 0.4090909 0.4090909 0.4090909), wk = 0.0025575 k( 251) = ( 0.4147727 0.4147727 0.4147727), wk = 0.0025575 k( 252) = ( 0.4204545 0.4204545 0.4204545), wk = 0.0025575 k( 253) = ( 0.4261364 0.4261364 0.4261364), wk = 0.0025575 k( 254) = ( 0.4318182 0.4318182 0.4318182), wk = 0.0025575 k( 255) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0025575 k( 256) = ( 0.4431818 0.4431818 0.4431818), wk = 0.0025575 k( 257) = ( 0.4488636 0.4488636 0.4488636), wk = 0.0025575 k( 258) = ( 0.4545455 0.4545454 0.4545454), wk = 0.0025575 k( 259) = ( 0.4602273 0.4602273 0.4602273), wk = 0.0025575 k( 260) = ( 0.4659091 0.4659091 0.4659091), wk = 0.0025575 k( 261) = ( 0.4715909 0.4715909 0.4715909), wk = 0.0025575 k( 262) = ( 0.4772727 0.4772727 0.4772727), wk = 0.0025575 k( 263) = ( 0.4829545 0.4829545 0.4829545), wk = 0.0025575 k( 264) = ( 0.4886364 0.4886364 0.4886364), wk = 0.0025575 k( 265) = ( 0.4943182 0.4943182 0.4943182), wk = 0.0025575 k( 266) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025575 k( 267) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025575 k( 268) = ( 0.4930556 0.5000000 0.4930556), wk = 0.0025575 k( 269) = ( 0.4861111 0.5000000 0.4861111), wk = 0.0025575 k( 270) = ( 0.4791667 0.5000000 0.4791667), wk = 0.0025575 k( 271) = ( 0.4722222 0.5000000 0.4722222), wk = 0.0025575 k( 272) = ( 0.4652778 0.5000000 0.4652778), wk = 0.0025575 k( 273) = ( 0.4583333 0.5000000 0.4583333), wk = 0.0025575 k( 274) = ( 0.4513889 0.5000000 0.4513889), wk = 0.0025575 k( 275) = ( 0.4444444 0.5000000 0.4444444), wk = 0.0025575 k( 276) = ( 0.4375000 0.5000000 0.4375000), wk = 0.0025575 k( 277) = ( 0.4305556 0.5000000 0.4305556), wk = 0.0025575 k( 278) = ( 0.4236111 0.5000000 0.4236111), wk = 0.0025575 k( 279) = ( 0.4166667 0.5000000 0.4166667), wk = 0.0025575 k( 280) = ( 0.4097222 0.5000000 0.4097222), wk = 0.0025575 k( 281) = ( 0.4027778 0.5000000 0.4027778), wk = 0.0025575 k( 282) = ( 0.3958333 0.5000000 0.3958333), wk = 0.0025575 k( 283) = ( 0.3888889 0.5000000 0.3888889), wk = 0.0025575 k( 284) = ( 0.3819444 0.5000000 0.3819444), wk = 0.0025575 k( 285) = ( 0.3750000 0.5000000 0.3750000), wk = 0.0025575 k( 286) = ( 0.3680556 0.5000000 0.3680556), wk = 0.0025575 k( 287) = ( 0.3611111 0.5000000 0.3611111), wk = 0.0025575 k( 288) = ( 0.3541667 0.5000000 0.3541667), wk = 0.0025575 k( 289) = ( 0.3472222 0.5000000 0.3472222), wk = 0.0025575 k( 290) = ( 0.3402778 0.5000000 0.3402778), wk = 0.0025575 k( 291) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0025575 k( 292) = ( 0.3263889 0.5000000 0.3263889), wk = 0.0025575 k( 293) = ( 0.3194444 0.5000000 0.3194444), wk = 0.0025575 k( 294) = ( 0.3125000 0.5000000 0.3125000), wk = 0.0025575 k( 295) = ( 0.3055556 0.5000000 0.3055556), wk = 0.0025575 k( 296) = ( 0.2986111 0.5000000 0.2986111), wk = 0.0025575 k( 297) = ( 0.2916667 0.5000000 0.2916667), wk = 0.0025575 k( 298) = ( 0.2847222 0.5000000 0.2847222), wk = 0.0025575 k( 299) = ( 0.2777778 0.5000000 0.2777778), wk = 0.0025575 k( 300) = ( 0.2708333 0.5000000 0.2708333), wk = 0.0025575 k( 301) = ( 0.2638889 0.5000000 0.2638889), wk = 0.0025575 k( 302) = ( 0.2569444 0.5000000 0.2569444), wk = 0.0025575 k( 303) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0025575 k( 304) = ( 0.2430556 0.5000000 0.2430556), wk = 0.0025575 k( 305) = ( 0.2361111 0.5000000 0.2361111), wk = 0.0025575 k( 306) = ( 0.2291667 0.5000000 0.2291667), wk = 0.0025575 k( 307) = ( 0.2222222 0.5000000 0.2222222), wk = 0.0025575 k( 308) = ( 0.2152778 0.5000000 0.2152778), wk = 0.0025575 k( 309) = ( 0.2083333 0.5000000 0.2083333), wk = 0.0025575 k( 310) = ( 0.2013889 0.5000000 0.2013889), wk = 0.0025575 k( 311) = ( 0.1944444 0.5000000 0.1944444), wk = 0.0025575 k( 312) = ( 0.1875000 0.5000000 0.1875000), wk = 0.0025575 k( 313) = ( 0.1805556 0.5000000 0.1805556), wk = 0.0025575 k( 314) = ( 0.1736111 0.5000000 0.1736111), wk = 0.0025575 k( 315) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0025575 k( 316) = ( 0.1597222 0.5000000 0.1597222), wk = 0.0025575 k( 317) = ( 0.1527778 0.5000000 0.1527778), wk = 0.0025575 k( 318) = ( 0.1458333 0.5000000 0.1458333), wk = 0.0025575 k( 319) = ( 0.1388889 0.5000000 0.1388889), wk = 0.0025575 k( 320) = ( 0.1319444 0.5000000 0.1319444), wk = 0.0025575 k( 321) = ( 0.1250000 0.5000000 0.1250000), wk = 0.0025575 k( 322) = ( 0.1180556 0.5000000 0.1180556), wk = 0.0025575 k( 323) = ( 0.1111111 0.5000000 0.1111111), wk = 0.0025575 k( 324) = ( 0.1041667 0.5000000 0.1041667), wk = 0.0025575 k( 325) = ( 0.0972222 0.5000000 0.0972222), wk = 0.0025575 k( 326) = ( 0.0902778 0.5000000 0.0902778), wk = 0.0025575 k( 327) = ( 0.0833333 0.5000000 0.0833333), wk = 0.0025575 k( 328) = ( 0.0763889 0.5000000 0.0763889), wk = 0.0025575 k( 329) = ( 0.0694444 0.5000000 0.0694444), wk = 0.0025575 k( 330) = ( 0.0625000 0.5000000 0.0625000), wk = 0.0025575 k( 331) = ( 0.0555556 0.5000000 0.0555556), wk = 0.0025575 k( 332) = ( 0.0486111 0.5000000 0.0486111), wk = 0.0025575 k( 333) = ( 0.0416667 0.5000000 0.0416667), wk = 0.0025575 k( 334) = ( 0.0347222 0.5000000 0.0347222), wk = 0.0025575 k( 335) = ( 0.0277778 0.5000000 0.0277778), wk = 0.0025575 k( 336) = ( 0.0208333 0.5000000 0.0208333), wk = 0.0025575 k( 337) = ( 0.0138889 0.5000000 0.0138889), wk = 0.0025575 k( 338) = ( 0.0069444 0.5000000 0.0069444), wk = 0.0025575 k( 339) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025575 k( 340) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0025575 k( 341) = ( 0.5000000 0.5000000 0.0098039), wk = 0.0025575 k( 342) = ( 0.5000000 0.5000000 0.0196078), wk = 0.0025575 k( 343) = ( 0.5000000 0.5000000 0.0294118), wk = 0.0025575 k( 344) = ( 0.5000000 0.5000000 0.0392157), wk = 0.0025575 k( 345) = ( 0.5000000 0.5000000 0.0490196), wk = 0.0025575 k( 346) = ( 0.5000000 0.5000000 0.0588235), wk = 0.0025575 k( 347) = ( 0.5000000 0.5000000 0.0686274), wk = 0.0025575 k( 348) = ( 0.5000000 0.5000000 0.0784314), wk = 0.0025575 k( 349) = ( 0.5000000 0.5000000 0.0882353), wk = 0.0025575 k( 350) = ( 0.5000000 0.5000000 0.0980392), wk = 0.0025575 k( 351) = ( 0.5000000 0.5000000 0.1078431), wk = 0.0025575 k( 352) = ( 0.5000000 0.5000000 0.1176471), wk = 0.0025575 k( 353) = ( 0.5000000 0.5000000 0.1274510), wk = 0.0025575 k( 354) = ( 0.5000000 0.5000000 0.1372549), wk = 0.0025575 k( 355) = ( 0.5000000 0.5000000 0.1470588), wk = 0.0025575 k( 356) = ( 0.5000000 0.5000000 0.1568627), wk = 0.0025575 k( 357) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0025575 k( 358) = ( 0.5000000 0.5000000 0.1764706), wk = 0.0025575 k( 359) = ( 0.5000000 0.5000000 0.1862745), wk = 0.0025575 k( 360) = ( 0.5000000 0.5000000 0.1960784), wk = 0.0025575 k( 361) = ( 0.5000000 0.5000000 0.2058823), wk = 0.0025575 k( 362) = ( 0.5000000 0.5000000 0.2156863), wk = 0.0025575 k( 363) = ( 0.5000000 0.5000000 0.2254902), wk = 0.0025575 k( 364) = ( 0.5000000 0.5000000 0.2352941), wk = 0.0025575 k( 365) = ( 0.5000000 0.5000000 0.2450980), wk = 0.0025575 k( 366) = ( 0.5000000 0.5000000 0.2549020), wk = 0.0025575 k( 367) = ( 0.5000000 0.5000000 0.2647059), wk = 0.0025575 k( 368) = ( 0.5000000 0.5000000 0.2745098), wk = 0.0025575 k( 369) = ( 0.5000000 0.5000000 0.2843137), wk = 0.0025575 k( 370) = ( 0.5000000 0.5000000 0.2941176), wk = 0.0025575 k( 371) = ( 0.5000000 0.5000000 0.3039216), wk = 0.0025575 k( 372) = ( 0.5000000 0.5000000 0.3137255), wk = 0.0025575 k( 373) = ( 0.5000000 0.5000000 0.3235294), wk = 0.0025575 k( 374) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0025575 k( 375) = ( 0.5000000 0.5000000 0.3431372), wk = 0.0025575 k( 376) = ( 0.5000000 0.5000000 0.3529412), wk = 0.0025575 k( 377) = ( 0.5000000 0.5000000 0.3627451), wk = 0.0025575 k( 378) = ( 0.5000000 0.5000000 0.3725490), wk = 0.0025575 k( 379) = ( 0.5000000 0.5000000 0.3823529), wk = 0.0025575 k( 380) = ( 0.5000000 0.5000000 0.3921569), wk = 0.0025575 k( 381) = ( 0.5000000 0.5000000 0.4019608), wk = 0.0025575 k( 382) = ( 0.5000000 0.5000000 0.4117647), wk = 0.0025575 k( 383) = ( 0.5000000 0.5000000 0.4215686), wk = 0.0025575 k( 384) = ( 0.5000000 0.5000000 0.4313725), wk = 0.0025575 k( 385) = ( 0.5000000 0.5000000 0.4411765), wk = 0.0025575 k( 386) = ( 0.5000000 0.5000000 0.4509804), wk = 0.0025575 k( 387) = ( 0.5000000 0.5000000 0.4607843), wk = 0.0025575 k( 388) = ( 0.5000000 0.5000000 0.4705882), wk = 0.0025575 k( 389) = ( 0.5000000 0.5000000 0.4803922), wk = 0.0025575 k( 390) = ( 0.5000000 0.5000000 0.4901961), wk = 0.0025575 k( 391) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025575 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025575 k( 2) = ( 0.0000000 0.0098039 0.0000000), wk = 0.0025575 k( 3) = ( 0.0000000 0.0196078 0.0000000), wk = 0.0025575 k( 4) = ( 0.0000000 0.0294118 0.0000000), wk = 0.0025575 k( 5) = ( 0.0000000 0.0392157 0.0000000), wk = 0.0025575 k( 6) = ( 0.0000000 0.0490196 0.0000000), wk = 0.0025575 k( 7) = ( 0.0000000 0.0588235 0.0000000), wk = 0.0025575 k( 8) = ( 0.0000000 0.0686275 0.0000000), wk = 0.0025575 k( 9) = ( 0.0000000 0.0784314 0.0000000), wk = 0.0025575 k( 10) = ( 0.0000000 0.0882353 0.0000000), wk = 0.0025575 k( 11) = ( 0.0000000 0.0980392 0.0000000), wk = 0.0025575 k( 12) = ( 0.0000000 0.1078431 0.0000000), wk = 0.0025575 k( 13) = ( 0.0000000 0.1176471 0.0000000), wk = 0.0025575 k( 14) = ( 0.0000000 0.1274510 0.0000000), wk = 0.0025575 k( 15) = ( 0.0000000 0.1372549 0.0000000), wk = 0.0025575 k( 16) = ( 0.0000000 0.1470588 0.0000000), wk = 0.0025575 k( 17) = ( 0.0000000 0.1568627 0.0000000), wk = 0.0025575 k( 18) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0025575 k( 19) = ( 0.0000000 0.1764706 0.0000000), wk = 0.0025575 k( 20) = ( 0.0000000 0.1862745 0.0000000), wk = 0.0025575 k( 21) = ( 0.0000000 0.1960784 0.0000000), wk = 0.0025575 k( 22) = ( 0.0000000 0.2058823 0.0000000), wk = 0.0025575 k( 23) = ( 0.0000000 0.2156863 0.0000000), wk = 0.0025575 k( 24) = ( 0.0000000 0.2254902 0.0000000), wk = 0.0025575 k( 25) = ( 0.0000000 0.2352941 0.0000000), wk = 0.0025575 k( 26) = ( 0.0000000 0.2450980 0.0000000), wk = 0.0025575 k( 27) = ( 0.0000000 0.2549020 0.0000000), wk = 0.0025575 k( 28) = ( 0.0000000 0.2647059 0.0000000), wk = 0.0025575 k( 29) = ( 0.0000000 0.2745098 0.0000000), wk = 0.0025575 k( 30) = ( 0.0000000 0.2843137 0.0000000), wk = 0.0025575 k( 31) = ( 0.0000000 0.2941177 0.0000000), wk = 0.0025575 k( 32) = ( 0.0000000 0.3039216 0.0000000), wk = 0.0025575 k( 33) = ( 0.0000000 0.3137255 0.0000000), wk = 0.0025575 k( 34) = ( 0.0000000 0.3235294 0.0000000), wk = 0.0025575 k( 35) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0025575 k( 36) = ( 0.0000000 0.3431373 0.0000000), wk = 0.0025575 k( 37) = ( 0.0000000 0.3529412 0.0000000), wk = 0.0025575 k( 38) = ( 0.0000000 0.3627451 0.0000000), wk = 0.0025575 k( 39) = ( 0.0000000 0.3725490 0.0000000), wk = 0.0025575 k( 40) = ( 0.0000000 0.3823529 0.0000000), wk = 0.0025575 k( 41) = ( 0.0000000 0.3921569 0.0000000), wk = 0.0025575 k( 42) = ( 0.0000000 0.4019608 0.0000000), wk = 0.0025575 k( 43) = ( 0.0000000 0.4117647 0.0000000), wk = 0.0025575 k( 44) = ( 0.0000000 0.4215686 0.0000000), wk = 0.0025575 k( 45) = ( 0.0000000 0.4313726 0.0000000), wk = 0.0025575 k( 46) = ( 0.0000000 0.4411765 0.0000000), wk = 0.0025575 k( 47) = ( 0.0000000 0.4509804 0.0000000), wk = 0.0025575 k( 48) = ( 0.0000000 0.4607843 0.0000000), wk = 0.0025575 k( 49) = ( 0.0000000 0.4705882 0.0000000), wk = 0.0025575 k( 50) = ( 0.0000000 0.4803922 0.0000000), wk = 0.0025575 k( 51) = ( 0.0000000 0.4901961 0.0000000), wk = 0.0025575 k( 52) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025575 k( 53) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025575 k( 54) = ( 0.0098039 0.5000000 0.0000000), wk = 0.0025575 k( 55) = ( 0.0196078 0.5000000 0.0000000), wk = 0.0025575 k( 56) = ( 0.0294118 0.5000000 0.0000000), wk = 0.0025575 k( 57) = ( 0.0392157 0.5000000 0.0000000), wk = 0.0025575 k( 58) = ( 0.0490196 0.5000000 0.0000000), wk = 0.0025575 k( 59) = ( 0.0588235 0.5000000 0.0000000), wk = 0.0025575 k( 60) = ( 0.0686275 0.5000000 0.0000000), wk = 0.0025575 k( 61) = ( 0.0784314 0.5000000 0.0000000), wk = 0.0025575 k( 62) = ( 0.0882353 0.5000000 0.0000000), wk = 0.0025575 k( 63) = ( 0.0980392 0.5000000 0.0000000), wk = 0.0025575 k( 64) = ( 0.1078431 0.5000000 0.0000000), wk = 0.0025575 k( 65) = ( 0.1176471 0.5000000 0.0000000), wk = 0.0025575 k( 66) = ( 0.1274510 0.5000000 0.0000000), wk = 0.0025575 k( 67) = ( 0.1372549 0.5000000 0.0000000), wk = 0.0025575 k( 68) = ( 0.1470588 0.5000000 0.0000000), wk = 0.0025575 k( 69) = ( 0.1568627 0.5000000 0.0000000), wk = 0.0025575 k( 70) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0025575 k( 71) = ( 0.1764706 0.5000000 0.0000000), wk = 0.0025575 k( 72) = ( 0.1862745 0.5000000 0.0000000), wk = 0.0025575 k( 73) = ( 0.1960784 0.5000000 0.0000000), wk = 0.0025575 k( 74) = ( 0.2058823 0.5000000 0.0000000), wk = 0.0025575 k( 75) = ( 0.2156863 0.5000000 0.0000000), wk = 0.0025575 k( 76) = ( 0.2254902 0.5000000 0.0000000), wk = 0.0025575 k( 77) = ( 0.2352941 0.5000000 0.0000000), wk = 0.0025575 k( 78) = ( 0.2450980 0.5000000 0.0000000), wk = 0.0025575 k( 79) = ( 0.2549020 0.5000000 0.0000000), wk = 0.0025575 k( 80) = ( 0.2647059 0.5000000 0.0000000), wk = 0.0025575 k( 81) = ( 0.2745098 0.5000000 0.0000000), wk = 0.0025575 k( 82) = ( 0.2843137 0.5000000 0.0000000), wk = 0.0025575 k( 83) = ( 0.2941177 0.5000000 0.0000000), wk = 0.0025575 k( 84) = ( 0.3039216 0.5000000 0.0000000), wk = 0.0025575 k( 85) = ( 0.3137255 0.5000000 0.0000000), wk = 0.0025575 k( 86) = ( 0.3235294 0.5000000 0.0000000), wk = 0.0025575 k( 87) = ( 0.3333333 0.5000000 0.0000000), wk = 0.0025575 k( 88) = ( 0.3431373 0.5000000 0.0000000), wk = 0.0025575 k( 89) = ( 0.3529412 0.5000000 0.0000000), wk = 0.0025575 k( 90) = ( 0.3627451 0.5000000 0.0000000), wk = 0.0025575 k( 91) = ( 0.3725490 0.5000000 0.0000000), wk = 0.0025575 k( 92) = ( 0.3823529 0.5000000 0.0000000), wk = 0.0025575 k( 93) = ( 0.3921569 0.5000000 0.0000000), wk = 0.0025575 k( 94) = ( 0.4019608 0.5000000 0.0000000), wk = 0.0025575 k( 95) = ( 0.4117647 0.5000000 0.0000000), wk = 0.0025575 k( 96) = ( 0.4215686 0.5000000 0.0000000), wk = 0.0025575 k( 97) = ( 0.4313726 0.5000000 0.0000000), wk = 0.0025575 k( 98) = ( 0.4411765 0.5000000 0.0000000), wk = 0.0025575 k( 99) = ( 0.4509804 0.5000000 0.0000000), wk = 0.0025575 k( 100) = ( 0.4607843 0.5000000 0.0000000), wk = 0.0025575 k( 101) = ( 0.4705882 0.5000000 0.0000000), wk = 0.0025575 k( 102) = ( 0.4803922 0.5000000 0.0000000), wk = 0.0025575 k( 103) = ( 0.4901961 0.5000000 0.0000000), wk = 0.0025575 k( 104) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0025575 k( 105) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0025575 k( 106) = ( 0.4930556 0.4930556 0.0000000), wk = 0.0025575 k( 107) = ( 0.4861111 0.4861111 0.0000000), wk = 0.0025575 k( 108) = ( 0.4791667 0.4791667 0.0000000), wk = 0.0025575 k( 109) = ( 0.4722222 0.4722222 0.0000000), wk = 0.0025575 k( 110) = ( 0.4652778 0.4652778 0.0000000), wk = 0.0025575 k( 111) = ( 0.4583333 0.4583333 0.0000000), wk = 0.0025575 k( 112) = ( 0.4513889 0.4513889 0.0000000), wk = 0.0025575 k( 113) = ( 0.4444444 0.4444444 0.0000000), wk = 0.0025575 k( 114) = ( 0.4375000 0.4375000 0.0000000), wk = 0.0025575 k( 115) = ( 0.4305556 0.4305556 0.0000000), wk = 0.0025575 k( 116) = ( 0.4236111 0.4236111 0.0000000), wk = 0.0025575 k( 117) = ( 0.4166667 0.4166667 0.0000000), wk = 0.0025575 k( 118) = ( 0.4097222 0.4097222 0.0000000), wk = 0.0025575 k( 119) = ( 0.4027778 0.4027778 0.0000000), wk = 0.0025575 k( 120) = ( 0.3958333 0.3958333 0.0000000), wk = 0.0025575 k( 121) = ( 0.3888889 0.3888889 0.0000000), wk = 0.0025575 k( 122) = ( 0.3819444 0.3819444 0.0000000), wk = 0.0025575 k( 123) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0025575 k( 124) = ( 0.3680556 0.3680556 -0.0000000), wk = 0.0025575 k( 125) = ( 0.3611111 0.3611111 -0.0000000), wk = 0.0025575 k( 126) = ( 0.3541667 0.3541667 -0.0000000), wk = 0.0025575 k( 127) = ( 0.3472222 0.3472222 -0.0000000), wk = 0.0025575 k( 128) = ( 0.3402778 0.3402778 -0.0000000), wk = 0.0025575 k( 129) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0025575 k( 130) = ( 0.3263889 0.3263889 0.0000000), wk = 0.0025575 k( 131) = ( 0.3194444 0.3194444 -0.0000000), wk = 0.0025575 k( 132) = ( 0.3125000 0.3125000 0.0000000), wk = 0.0025575 k( 133) = ( 0.3055556 0.3055556 0.0000000), wk = 0.0025575 k( 134) = ( 0.2986111 0.2986111 0.0000000), wk = 0.0025575 k( 135) = ( 0.2916667 0.2916667 0.0000000), wk = 0.0025575 k( 136) = ( 0.2847222 0.2847222 0.0000000), wk = 0.0025575 k( 137) = ( 0.2777778 0.2777778 0.0000000), wk = 0.0025575 k( 138) = ( 0.2708333 0.2708333 0.0000000), wk = 0.0025575 k( 139) = ( 0.2638889 0.2638889 0.0000000), wk = 0.0025575 k( 140) = ( 0.2569444 0.2569444 0.0000000), wk = 0.0025575 k( 141) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0025575 k( 142) = ( 0.2430556 0.2430556 0.0000000), wk = 0.0025575 k( 143) = ( 0.2361111 0.2361111 0.0000000), wk = 0.0025575 k( 144) = ( 0.2291667 0.2291667 0.0000000), wk = 0.0025575 k( 145) = ( 0.2222222 0.2222222 0.0000000), wk = 0.0025575 k( 146) = ( 0.2152778 0.2152778 0.0000000), wk = 0.0025575 k( 147) = ( 0.2083333 0.2083333 0.0000000), wk = 0.0025575 k( 148) = ( 0.2013889 0.2013889 0.0000000), wk = 0.0025575 k( 149) = ( 0.1944444 0.1944444 0.0000000), wk = 0.0025575 k( 150) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0025575 k( 151) = ( 0.1805556 0.1805556 0.0000000), wk = 0.0025575 k( 152) = ( 0.1736111 0.1736111 -0.0000000), wk = 0.0025575 k( 153) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0025575 k( 154) = ( 0.1597222 0.1597222 -0.0000000), wk = 0.0025575 k( 155) = ( 0.1527778 0.1527778 0.0000000), wk = 0.0025575 k( 156) = ( 0.1458333 0.1458333 0.0000000), wk = 0.0025575 k( 157) = ( 0.1388889 0.1388889 0.0000000), wk = 0.0025575 k( 158) = ( 0.1319444 0.1319444 0.0000000), wk = 0.0025575 k( 159) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0025575 k( 160) = ( 0.1180556 0.1180556 0.0000000), wk = 0.0025575 k( 161) = ( 0.1111111 0.1111111 0.0000000), wk = 0.0025575 k( 162) = ( 0.1041667 0.1041667 -0.0000000), wk = 0.0025575 k( 163) = ( 0.0972222 0.0972222 0.0000000), wk = 0.0025575 k( 164) = ( 0.0902778 0.0902778 0.0000000), wk = 0.0025575 k( 165) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0025575 k( 166) = ( 0.0763889 0.0763889 0.0000000), wk = 0.0025575 k( 167) = ( 0.0694444 0.0694444 -0.0000000), wk = 0.0025575 k( 168) = ( 0.0625000 0.0625000 0.0000000), wk = 0.0025575 k( 169) = ( 0.0555556 0.0555556 0.0000000), wk = 0.0025575 k( 170) = ( 0.0486111 0.0486111 0.0000000), wk = 0.0025575 k( 171) = ( 0.0416667 0.0416667 -0.0000000), wk = 0.0025575 k( 172) = ( 0.0347222 0.0347222 -0.0000000), wk = 0.0025575 k( 173) = ( 0.0277778 0.0277778 0.0000000), wk = 0.0025575 k( 174) = ( 0.0208333 0.0208333 0.0000000), wk = 0.0025575 k( 175) = ( 0.0138889 0.0138889 0.0000000), wk = 0.0025575 k( 176) = ( 0.0069444 0.0069444 0.0000000), wk = 0.0025575 k( 177) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025575 k( 178) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025575 k( 179) = ( 0.0056818 0.0056818 0.0056818), wk = 0.0025575 k( 180) = ( 0.0113636 0.0113636 0.0113636), wk = 0.0025575 k( 181) = ( 0.0170455 0.0170455 0.0170455), wk = 0.0025575 k( 182) = ( 0.0227273 0.0227273 0.0227273), wk = 0.0025575 k( 183) = ( 0.0284091 0.0284091 0.0284091), wk = 0.0025575 k( 184) = ( 0.0340909 0.0340909 0.0340909), wk = 0.0025575 k( 185) = ( 0.0397727 0.0397727 0.0397727), wk = 0.0025575 k( 186) = ( 0.0454546 0.0454546 0.0454546), wk = 0.0025575 k( 187) = ( 0.0511364 0.0511364 0.0511364), wk = 0.0025575 k( 188) = ( 0.0568182 0.0568182 0.0568182), wk = 0.0025575 k( 189) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0025575 k( 190) = ( 0.0681818 0.0681818 0.0681818), wk = 0.0025575 k( 191) = ( 0.0738636 0.0738636 0.0738636), wk = 0.0025575 k( 192) = ( 0.0795455 0.0795455 0.0795455), wk = 0.0025575 k( 193) = ( 0.0852273 0.0852273 0.0852273), wk = 0.0025575 k( 194) = ( 0.0909091 0.0909091 0.0909091), wk = 0.0025575 k( 195) = ( 0.0965909 0.0965909 0.0965909), wk = 0.0025575 k( 196) = ( 0.1022727 0.1022727 0.1022727), wk = 0.0025575 k( 197) = ( 0.1079545 0.1079545 0.1079545), wk = 0.0025575 k( 198) = ( 0.1136364 0.1136364 0.1136364), wk = 0.0025575 k( 199) = ( 0.1193182 0.1193182 0.1193182), wk = 0.0025575 k( 200) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0025575 k( 201) = ( 0.1306818 0.1306818 0.1306818), wk = 0.0025575 k( 202) = ( 0.1363636 0.1363636 0.1363636), wk = 0.0025575 k( 203) = ( 0.1420454 0.1420454 0.1420454), wk = 0.0025575 k( 204) = ( 0.1477273 0.1477273 0.1477273), wk = 0.0025575 k( 205) = ( 0.1534091 0.1534091 0.1534091), wk = 0.0025575 k( 206) = ( 0.1590909 0.1590909 0.1590909), wk = 0.0025575 k( 207) = ( 0.1647727 0.1647727 0.1647727), wk = 0.0025575 k( 208) = ( 0.1704546 0.1704546 0.1704546), wk = 0.0025575 k( 209) = ( 0.1761364 0.1761364 0.1761364), wk = 0.0025575 k( 210) = ( 0.1818182 0.1818182 0.1818182), wk = 0.0025575 k( 211) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0025575 k( 212) = ( 0.1931818 0.1931818 0.1931818), wk = 0.0025575 k( 213) = ( 0.1988636 0.1988636 0.1988636), wk = 0.0025575 k( 214) = ( 0.2045454 0.2045454 0.2045454), wk = 0.0025575 k( 215) = ( 0.2102273 0.2102273 0.2102273), wk = 0.0025575 k( 216) = ( 0.2159091 0.2159091 0.2159091), wk = 0.0025575 k( 217) = ( 0.2215909 0.2215909 0.2215909), wk = 0.0025575 k( 218) = ( 0.2272727 0.2272727 0.2272727), wk = 0.0025575 k( 219) = ( 0.2329546 0.2329546 0.2329546), wk = 0.0025575 k( 220) = ( 0.2386364 0.2386364 0.2386364), wk = 0.0025575 k( 221) = ( 0.2443182 0.2443182 0.2443182), wk = 0.0025575 k( 222) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0025575 k( 223) = ( 0.2556818 0.2556818 0.2556818), wk = 0.0025575 k( 224) = ( 0.2613636 0.2613636 0.2613636), wk = 0.0025575 k( 225) = ( 0.2670455 0.2670455 0.2670455), wk = 0.0025575 k( 226) = ( 0.2727273 0.2727273 0.2727273), wk = 0.0025575 k( 227) = ( 0.2784091 0.2784091 0.2784091), wk = 0.0025575 k( 228) = ( 0.2840909 0.2840909 0.2840909), wk = 0.0025575 k( 229) = ( 0.2897727 0.2897727 0.2897727), wk = 0.0025575 k( 230) = ( 0.2954545 0.2954545 0.2954545), wk = 0.0025575 k( 231) = ( 0.3011364 0.3011364 0.3011364), wk = 0.0025575 k( 232) = ( 0.3068182 0.3068182 0.3068182), wk = 0.0025575 k( 233) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0025575 k( 234) = ( 0.3181818 0.3181818 0.3181818), wk = 0.0025575 k( 235) = ( 0.3238636 0.3238636 0.3238636), wk = 0.0025575 k( 236) = ( 0.3295455 0.3295455 0.3295455), wk = 0.0025575 k( 237) = ( 0.3352273 0.3352273 0.3352273), wk = 0.0025575 k( 238) = ( 0.3409091 0.3409091 0.3409091), wk = 0.0025575 k( 239) = ( 0.3465909 0.3465909 0.3465909), wk = 0.0025575 k( 240) = ( 0.3522727 0.3522727 0.3522727), wk = 0.0025575 k( 241) = ( 0.3579545 0.3579545 0.3579545), wk = 0.0025575 k( 242) = ( 0.3636364 0.3636364 0.3636364), wk = 0.0025575 k( 243) = ( 0.3693182 0.3693182 0.3693182), wk = 0.0025575 k( 244) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0025575 k( 245) = ( 0.3806818 0.3806818 0.3806818), wk = 0.0025575 k( 246) = ( 0.3863636 0.3863636 0.3863636), wk = 0.0025575 k( 247) = ( 0.3920455 0.3920455 0.3920455), wk = 0.0025575 k( 248) = ( 0.3977273 0.3977273 0.3977273), wk = 0.0025575 k( 249) = ( 0.4034091 0.4034091 0.4034091), wk = 0.0025575 k( 250) = ( 0.4090909 0.4090909 0.4090909), wk = 0.0025575 k( 251) = ( 0.4147727 0.4147727 0.4147727), wk = 0.0025575 k( 252) = ( 0.4204545 0.4204545 0.4204545), wk = 0.0025575 k( 253) = ( 0.4261364 0.4261364 0.4261364), wk = 0.0025575 k( 254) = ( 0.4318182 0.4318182 0.4318182), wk = 0.0025575 k( 255) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0025575 k( 256) = ( 0.4431818 0.4431818 0.4431818), wk = 0.0025575 k( 257) = ( 0.4488636 0.4488636 0.4488636), wk = 0.0025575 k( 258) = ( 0.4545455 0.4545455 0.4545455), wk = 0.0025575 k( 259) = ( 0.4602273 0.4602273 0.4602273), wk = 0.0025575 k( 260) = ( 0.4659091 0.4659091 0.4659091), wk = 0.0025575 k( 261) = ( 0.4715909 0.4715909 0.4715909), wk = 0.0025575 k( 262) = ( 0.4772727 0.4772727 0.4772727), wk = 0.0025575 k( 263) = ( 0.4829545 0.4829545 0.4829545), wk = 0.0025575 k( 264) = ( 0.4886364 0.4886364 0.4886364), wk = 0.0025575 k( 265) = ( 0.4943182 0.4943182 0.4943182), wk = 0.0025575 k( 266) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025575 k( 267) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025575 k( 268) = ( 0.4930556 0.5000000 0.4930556), wk = 0.0025575 k( 269) = ( 0.4861111 0.5000000 0.4861111), wk = 0.0025575 k( 270) = ( 0.4791667 0.5000000 0.4791667), wk = 0.0025575 k( 271) = ( 0.4722222 0.5000000 0.4722222), wk = 0.0025575 k( 272) = ( 0.4652778 0.5000000 0.4652778), wk = 0.0025575 k( 273) = ( 0.4583333 0.5000000 0.4583333), wk = 0.0025575 k( 274) = ( 0.4513889 0.5000000 0.4513889), wk = 0.0025575 k( 275) = ( 0.4444444 0.5000000 0.4444444), wk = 0.0025575 k( 276) = ( 0.4375000 0.5000000 0.4375000), wk = 0.0025575 k( 277) = ( 0.4305556 0.5000000 0.4305556), wk = 0.0025575 k( 278) = ( 0.4236111 0.5000000 0.4236111), wk = 0.0025575 k( 279) = ( 0.4166667 0.5000000 0.4166667), wk = 0.0025575 k( 280) = ( 0.4097222 0.5000000 0.4097222), wk = 0.0025575 k( 281) = ( 0.4027778 0.5000000 0.4027778), wk = 0.0025575 k( 282) = ( 0.3958333 0.5000000 0.3958333), wk = 0.0025575 k( 283) = ( 0.3888889 0.5000000 0.3888889), wk = 0.0025575 k( 284) = ( 0.3819444 0.5000000 0.3819444), wk = 0.0025575 k( 285) = ( 0.3750000 0.5000000 0.3750000), wk = 0.0025575 k( 286) = ( 0.3680556 0.5000000 0.3680556), wk = 0.0025575 k( 287) = ( 0.3611111 0.5000000 0.3611111), wk = 0.0025575 k( 288) = ( 0.3541667 0.5000000 0.3541667), wk = 0.0025575 k( 289) = ( 0.3472222 0.5000000 0.3472222), wk = 0.0025575 k( 290) = ( 0.3402778 0.5000000 0.3402778), wk = 0.0025575 k( 291) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0025575 k( 292) = ( 0.3263889 0.5000000 0.3263889), wk = 0.0025575 k( 293) = ( 0.3194444 0.5000000 0.3194444), wk = 0.0025575 k( 294) = ( 0.3125000 0.5000000 0.3125000), wk = 0.0025575 k( 295) = ( 0.3055556 0.5000000 0.3055556), wk = 0.0025575 k( 296) = ( 0.2986111 0.5000000 0.2986111), wk = 0.0025575 k( 297) = ( 0.2916667 0.5000000 0.2916667), wk = 0.0025575 k( 298) = ( 0.2847222 0.5000000 0.2847222), wk = 0.0025575 k( 299) = ( 0.2777778 0.5000000 0.2777778), wk = 0.0025575 k( 300) = ( 0.2708333 0.5000000 0.2708333), wk = 0.0025575 k( 301) = ( 0.2638889 0.5000000 0.2638889), wk = 0.0025575 k( 302) = ( 0.2569444 0.5000000 0.2569444), wk = 0.0025575 k( 303) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0025575 k( 304) = ( 0.2430556 0.5000000 0.2430556), wk = 0.0025575 k( 305) = ( 0.2361111 0.5000000 0.2361111), wk = 0.0025575 k( 306) = ( 0.2291667 0.5000000 0.2291667), wk = 0.0025575 k( 307) = ( 0.2222222 0.5000000 0.2222222), wk = 0.0025575 k( 308) = ( 0.2152778 0.5000000 0.2152778), wk = 0.0025575 k( 309) = ( 0.2083333 0.5000000 0.2083333), wk = 0.0025575 k( 310) = ( 0.2013889 0.5000000 0.2013889), wk = 0.0025575 k( 311) = ( 0.1944444 0.5000000 0.1944444), wk = 0.0025575 k( 312) = ( 0.1875000 0.5000000 0.1875000), wk = 0.0025575 k( 313) = ( 0.1805556 0.5000000 0.1805556), wk = 0.0025575 k( 314) = ( 0.1736111 0.5000000 0.1736111), wk = 0.0025575 k( 315) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0025575 k( 316) = ( 0.1597222 0.5000000 0.1597222), wk = 0.0025575 k( 317) = ( 0.1527778 0.5000000 0.1527778), wk = 0.0025575 k( 318) = ( 0.1458333 0.5000000 0.1458333), wk = 0.0025575 k( 319) = ( 0.1388889 0.5000000 0.1388889), wk = 0.0025575 k( 320) = ( 0.1319444 0.5000000 0.1319444), wk = 0.0025575 k( 321) = ( 0.1250000 0.5000000 0.1250000), wk = 0.0025575 k( 322) = ( 0.1180556 0.5000000 0.1180556), wk = 0.0025575 k( 323) = ( 0.1111111 0.5000000 0.1111111), wk = 0.0025575 k( 324) = ( 0.1041667 0.5000000 0.1041667), wk = 0.0025575 k( 325) = ( 0.0972222 0.5000000 0.0972222), wk = 0.0025575 k( 326) = ( 0.0902778 0.5000000 0.0902778), wk = 0.0025575 k( 327) = ( 0.0833333 0.5000000 0.0833333), wk = 0.0025575 k( 328) = ( 0.0763889 0.5000000 0.0763889), wk = 0.0025575 k( 329) = ( 0.0694444 0.5000000 0.0694444), wk = 0.0025575 k( 330) = ( 0.0625000 0.5000000 0.0625000), wk = 0.0025575 k( 331) = ( 0.0555556 0.5000000 0.0555556), wk = 0.0025575 k( 332) = ( 0.0486111 0.5000000 0.0486111), wk = 0.0025575 k( 333) = ( 0.0416667 0.5000000 0.0416667), wk = 0.0025575 k( 334) = ( 0.0347222 0.5000000 0.0347222), wk = 0.0025575 k( 335) = ( 0.0277778 0.5000000 0.0277778), wk = 0.0025575 k( 336) = ( 0.0208333 0.5000000 0.0208333), wk = 0.0025575 k( 337) = ( 0.0138889 0.5000000 0.0138889), wk = 0.0025575 k( 338) = ( 0.0069444 0.5000000 0.0069444), wk = 0.0025575 k( 339) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025575 k( 340) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0025575 k( 341) = ( 0.5000000 0.5000000 0.0098039), wk = 0.0025575 k( 342) = ( 0.5000000 0.5000000 0.0196078), wk = 0.0025575 k( 343) = ( 0.5000000 0.5000000 0.0294118), wk = 0.0025575 k( 344) = ( 0.5000000 0.5000000 0.0392157), wk = 0.0025575 k( 345) = ( 0.5000000 0.5000000 0.0490196), wk = 0.0025575 k( 346) = ( 0.5000000 0.5000000 0.0588235), wk = 0.0025575 k( 347) = ( 0.5000000 0.5000000 0.0686275), wk = 0.0025575 k( 348) = ( 0.5000000 0.5000000 0.0784314), wk = 0.0025575 k( 349) = ( 0.5000000 0.5000000 0.0882353), wk = 0.0025575 k( 350) = ( 0.5000000 0.5000000 0.0980392), wk = 0.0025575 k( 351) = ( 0.5000000 0.5000000 0.1078431), wk = 0.0025575 k( 352) = ( 0.5000000 0.5000000 0.1176471), wk = 0.0025575 k( 353) = ( 0.5000000 0.5000000 0.1274510), wk = 0.0025575 k( 354) = ( 0.5000000 0.5000000 0.1372549), wk = 0.0025575 k( 355) = ( 0.5000000 0.5000000 0.1470588), wk = 0.0025575 k( 356) = ( 0.5000000 0.5000000 0.1568627), wk = 0.0025575 k( 357) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0025575 k( 358) = ( 0.5000000 0.5000000 0.1764706), wk = 0.0025575 k( 359) = ( 0.5000000 0.5000000 0.1862745), wk = 0.0025575 k( 360) = ( 0.5000000 0.5000000 0.1960784), wk = 0.0025575 k( 361) = ( 0.5000000 0.5000000 0.2058823), wk = 0.0025575 k( 362) = ( 0.5000000 0.5000000 0.2156863), wk = 0.0025575 k( 363) = ( 0.5000000 0.5000000 0.2254902), wk = 0.0025575 k( 364) = ( 0.5000000 0.5000000 0.2352941), wk = 0.0025575 k( 365) = ( 0.5000000 0.5000000 0.2450980), wk = 0.0025575 k( 366) = ( 0.5000000 0.5000000 0.2549020), wk = 0.0025575 k( 367) = ( 0.5000000 0.5000000 0.2647059), wk = 0.0025575 k( 368) = ( 0.5000000 0.5000000 0.2745098), wk = 0.0025575 k( 369) = ( 0.5000000 0.5000000 0.2843137), wk = 0.0025575 k( 370) = ( 0.5000000 0.5000000 0.2941177), wk = 0.0025575 k( 371) = ( 0.5000000 0.5000000 0.3039216), wk = 0.0025575 k( 372) = ( 0.5000000 0.5000000 0.3137255), wk = 0.0025575 k( 373) = ( 0.5000000 0.5000000 0.3235294), wk = 0.0025575 k( 374) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0025575 k( 375) = ( 0.5000000 0.5000000 0.3431373), wk = 0.0025575 k( 376) = ( 0.5000000 0.5000000 0.3529412), wk = 0.0025575 k( 377) = ( 0.5000000 0.5000000 0.3627451), wk = 0.0025575 k( 378) = ( 0.5000000 0.5000000 0.3725490), wk = 0.0025575 k( 379) = ( 0.5000000 0.5000000 0.3823529), wk = 0.0025575 k( 380) = ( 0.5000000 0.5000000 0.3921569), wk = 0.0025575 k( 381) = ( 0.5000000 0.5000000 0.4019608), wk = 0.0025575 k( 382) = ( 0.5000000 0.5000000 0.4117647), wk = 0.0025575 k( 383) = ( 0.5000000 0.5000000 0.4215686), wk = 0.0025575 k( 384) = ( 0.5000000 0.5000000 0.4313726), wk = 0.0025575 k( 385) = ( 0.5000000 0.5000000 0.4411765), wk = 0.0025575 k( 386) = ( 0.5000000 0.5000000 0.4509804), wk = 0.0025575 k( 387) = ( 0.5000000 0.5000000 0.4607843), wk = 0.0025575 k( 388) = ( 0.5000000 0.5000000 0.4705882), wk = 0.0025575 k( 389) = ( 0.5000000 0.5000000 0.4803922), wk = 0.0025575 k( 390) = ( 0.5000000 0.5000000 0.4901961), wk = 0.0025575 k( 391) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025575 Dense grid: 43819 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 12533 G-vectors FFT dimensions: ( 30, 30, 30) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.05 Mb ( 86, 36) NL pseudopotentials 0.03 Mb ( 43, 48) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1217) G-vector shells 0.00 Mb ( 291) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.19 Mb ( 86, 144) Each subspace H/S matrix 0.02 Mb ( 36, 36) Each matrix 0.05 Mb ( 48, 2, 36) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./MgPd.save/charge-density.dat Starting wfc are 30 randomized atomic wfcs + 6 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.6 secs Computing kpt #: 2 total cpu time spent up to now is 1.7 secs Computing kpt #: 3 total cpu time spent up to now is 1.9 secs Computing kpt #: 4 total cpu time spent up to now is 2.0 secs Computing kpt #: 5 total cpu time spent up to now is 2.1 secs Computing kpt #: 6 total cpu time spent up to now is 2.3 secs Computing kpt #: 7 total cpu time spent up to now is 2.4 secs Computing kpt #: 8 total cpu time spent up to now is 2.5 secs Computing kpt #: 9 total cpu time spent up to now is 2.6 secs Computing kpt #: 10 total cpu time spent up to now is 2.7 secs Computing kpt #: 11 total cpu time spent up to now is 2.8 secs Computing kpt #: 12 total cpu time spent up to now is 3.0 secs Computing kpt #: 13 total cpu time spent up to now is 3.1 secs Computing kpt #: 14 total cpu time spent up to now is 3.2 secs Computing kpt #: 15 total cpu time spent up to now is 3.3 secs Computing kpt #: 16 total cpu time spent up to now is 3.4 secs Computing kpt #: 17 total cpu time spent up to now is 3.6 secs Computing kpt #: 18 total cpu time spent up to now is 3.7 secs Computing kpt #: 19 total cpu time spent up to now is 3.8 secs Computing kpt #: 20 total cpu time spent up to now is 3.9 secs Computing kpt #: 21 total cpu time spent up to now is 4.0 secs Computing kpt #: 22 total cpu time spent up to now is 4.1 secs Computing kpt #: 23 total cpu time spent up to now is 4.2 secs Computing kpt #: 24 total cpu time spent up to now is 4.4 secs Computing kpt #: 25 total cpu time spent up to now is 4.5 secs Computing kpt #: 26 total cpu time spent up to now is 4.6 secs Computing kpt #: 27 total cpu time spent up to now is 4.7 secs Computing kpt #: 28 total cpu time spent up to now is 4.8 secs Computing kpt #: 29 total cpu time spent up to now is 4.9 secs Computing kpt #: 30 total cpu time spent up to now is 5.0 secs Computing kpt #: 31 total cpu time spent up to now is 5.1 secs Computing kpt #: 32 total cpu time spent up to now is 5.3 secs Computing kpt #: 33 total cpu time spent up to now is 5.4 secs Computing kpt #: 34 total cpu time spent up to now is 5.5 secs Computing kpt #: 35 total cpu time spent up to now is 5.6 secs Computing kpt #: 36 total cpu time spent up to now is 5.7 secs Computing kpt #: 37 total cpu time spent up to now is 5.8 secs Computing kpt #: 38 total cpu time spent up to now is 5.9 secs Computing kpt #: 39 total cpu time spent up to now is 6.1 secs Computing kpt #: 40 total cpu time spent up to now is 6.2 secs Computing kpt #: 41 total cpu time spent up to now is 6.3 secs Computing kpt #: 42 total cpu time spent up to now is 6.5 secs Computing kpt #: 43 total cpu time spent up to now is 6.6 secs Computing kpt #: 44 total cpu time spent up to now is 6.7 secs Computing kpt #: 45 total cpu time spent up to now is 6.8 secs Computing kpt #: 46 total cpu time spent up to now is 7.0 secs Computing kpt #: 47 total cpu time spent up to now is 7.1 secs Computing kpt #: 48 total cpu time spent up to now is 7.2 secs Computing kpt #: 49 total cpu time spent up to now is 7.3 secs Computing kpt #: 50 total cpu time spent up to now is 7.5 secs Computing kpt #: 51 total cpu time spent up to now is 7.6 secs Computing kpt #: 52 total cpu time spent up to now is 7.7 secs Computing kpt #: 53 total cpu time spent up to now is 7.8 secs Computing kpt #: 54 total cpu time spent up to now is 8.0 secs Computing kpt #: 55 total cpu time spent up to now is 8.1 secs Computing kpt #: 56 total cpu time spent up to now is 8.3 secs Computing kpt #: 57 total cpu time spent up to now is 8.4 secs Computing kpt #: 58 total cpu time spent up to now is 8.6 secs Computing kpt #: 59 total cpu time spent up to now is 8.7 secs Computing kpt #: 60 total cpu time spent up to now is 8.8 secs Computing kpt #: 61 total cpu time spent up to now is 9.0 secs Computing kpt #: 62 total cpu time spent up to now is 9.1 secs Computing kpt #: 63 total cpu time spent up to now is 9.2 secs Computing kpt #: 64 total cpu time spent up to now is 9.3 secs Computing kpt #: 65 total cpu time spent up to now is 9.5 secs Computing kpt #: 66 total cpu time spent up to now is 9.6 secs Computing kpt #: 67 total cpu time spent up to now is 9.7 secs Computing kpt #: 68 total cpu time spent up to now is 9.8 secs Computing kpt #: 69 total cpu time spent up to now is 10.0 secs Computing kpt #: 70 total cpu time spent up to now is 10.1 secs Computing kpt #: 71 total cpu time spent up to now is 10.2 secs Computing kpt #: 72 total cpu time spent up to now is 10.3 secs Computing kpt #: 73 total cpu time spent up to now is 10.5 secs Computing kpt #: 74 total cpu time spent up to now is 10.6 secs Computing kpt #: 75 total cpu time spent up to now is 10.7 secs Computing kpt #: 76 total cpu time spent up to now is 10.9 secs Computing kpt #: 77 total cpu time spent up to now is 11.0 secs Computing kpt #: 78 total cpu time spent up to now is 11.2 secs Computing kpt #: 79 total cpu time spent up to now is 11.4 secs Computing kpt #: 80 total cpu time spent up to now is 11.6 secs Computing kpt #: 81 total cpu time spent up to now is 11.8 secs Computing kpt #: 82 total cpu time spent up to now is 12.0 secs Computing kpt #: 83 total cpu time spent up to now is 12.1 secs Computing kpt #: 84 total cpu time spent up to now is 12.2 secs Computing kpt #: 85 total cpu time spent up to now is 12.4 secs Computing kpt #: 86 total cpu time spent up to now is 12.5 secs Computing kpt #: 87 total cpu time spent up to now is 12.7 secs Computing kpt #: 88 total cpu time spent up to now is 12.9 secs Computing kpt #: 89 total cpu time spent up to now is 13.1 secs Computing kpt #: 90 total cpu time spent up to now is 13.3 secs Computing kpt #: 91 total cpu time spent up to now is 13.5 secs Computing kpt #: 92 total cpu time spent up to now is 13.7 secs Computing kpt #: 93 total cpu time spent up to now is 14.0 secs Computing kpt #: 94 total cpu time spent up to now is 14.2 secs Computing kpt #: 95 total cpu time spent up to now is 14.4 secs Computing kpt #: 96 total cpu time spent up to now is 14.6 secs Computing kpt #: 97 total cpu time spent up to now is 14.8 secs Computing kpt #: 98 total cpu time spent up to now is 14.9 secs Computing kpt #: 99 total cpu time spent up to now is 15.1 secs Computing kpt #: 100 total cpu time spent up to now is 15.2 secs Computing kpt #: 101 total cpu time spent up to now is 15.4 secs Computing kpt #: 102 total cpu time spent up to now is 15.5 secs Computing kpt #: 103 total cpu time spent up to now is 15.6 secs Computing kpt #: 104 total cpu time spent up to now is 15.8 secs Computing kpt #: 105 total cpu time spent up to now is 16.0 secs Computing kpt #: 106 total cpu time spent up to now is 16.1 secs Computing kpt #: 107 total cpu time spent up to now is 16.2 secs Computing kpt #: 108 total cpu time spent up to now is 16.4 secs Computing kpt #: 109 total cpu time spent up to now is 16.5 secs Computing kpt #: 110 total cpu time spent up to now is 16.7 secs Computing kpt #: 111 total cpu time spent up to now is 16.8 secs Computing kpt #: 112 total cpu time spent up to now is 17.0 secs Computing kpt #: 113 total cpu time spent up to now is 17.1 secs Computing kpt #: 114 total cpu time spent up to now is 17.3 secs Computing kpt #: 115 total cpu time spent up to now is 17.5 secs Computing kpt #: 116 total cpu time spent up to now is 17.6 secs Computing kpt #: 117 total cpu time spent up to now is 17.8 secs Computing kpt #: 118 total cpu time spent up to now is 17.9 secs Computing kpt #: 119 total cpu time spent up to now is 18.1 secs Computing kpt #: 120 total cpu time spent up to now is 18.3 secs Computing kpt #: 121 total cpu time spent up to now is 18.4 secs Computing kpt #: 122 total cpu time spent up to now is 18.6 secs Computing kpt #: 123 total cpu time spent up to now is 18.7 secs Computing kpt #: 124 total cpu time spent up to now is 18.9 secs Computing kpt #: 125 total cpu time spent up to now is 19.0 secs Computing kpt #: 126 total cpu time spent up to now is 19.1 secs Computing kpt #: 127 total cpu time spent up to now is 19.2 secs Computing kpt #: 128 total cpu time spent up to now is 19.4 secs Computing kpt #: 129 total cpu time spent up to now is 19.5 secs Computing kpt #: 130 total cpu time spent up to now is 19.6 secs Computing kpt #: 131 total cpu time spent up to now is 19.7 secs Computing kpt #: 132 total cpu time spent up to now is 19.9 secs Computing kpt #: 133 total cpu time spent up to now is 20.0 secs Computing kpt #: 134 total cpu time spent up to now is 20.1 secs Computing kpt #: 135 total cpu time spent up to now is 20.2 secs Computing kpt #: 136 total cpu time spent up to now is 20.3 secs Computing kpt #: 137 total cpu time spent up to now is 20.4 secs Computing kpt #: 138 total cpu time spent up to now is 20.5 secs Computing kpt #: 139 total cpu time spent up to now is 20.6 secs Computing kpt #: 140 total cpu time spent up to now is 20.7 secs Computing kpt #: 141 total cpu time spent up to now is 20.8 secs Computing kpt #: 142 total cpu time spent up to now is 20.9 secs Computing kpt #: 143 total cpu time spent up to now is 21.1 secs Computing kpt #: 144 total cpu time spent up to now is 21.2 secs Computing kpt #: 145 total cpu time spent up to now is 21.3 secs Computing kpt #: 146 total cpu time spent up to now is 21.4 secs Computing kpt #: 147 total cpu time spent up to now is 21.5 secs Computing kpt #: 148 total cpu time spent up to now is 21.6 secs Computing kpt #: 149 total cpu time spent up to now is 21.7 secs Computing kpt #: 150 total cpu time spent up to now is 21.8 secs Computing kpt #: 151 total cpu time spent up to now is 21.9 secs Computing kpt #: 152 total cpu time spent up to now is 22.1 secs Computing kpt #: 153 total cpu time spent up to now is 22.2 secs Computing kpt #: 154 total cpu time spent up to now is 22.3 secs Computing kpt #: 155 total cpu time spent up to now is 22.4 secs Computing kpt #: 156 total cpu time spent up to now is 22.5 secs Computing kpt #: 157 total cpu time spent up to now is 22.6 secs Computing kpt #: 158 total cpu time spent up to now is 22.7 secs Computing kpt #: 159 total cpu time spent up to now is 22.8 secs Computing kpt #: 160 total cpu time spent up to now is 22.9 secs Computing kpt #: 161 total cpu time spent up to now is 23.0 secs Computing kpt #: 162 total cpu time spent up to now is 23.1 secs Computing kpt #: 163 total cpu time spent up to now is 23.3 secs Computing kpt #: 164 total cpu time spent up to now is 23.4 secs Computing kpt #: 165 total cpu time spent up to now is 23.5 secs Computing kpt #: 166 total cpu time spent up to now is 23.6 secs Computing kpt #: 167 total cpu time spent up to now is 23.7 secs Computing kpt #: 168 total cpu time spent up to now is 23.8 secs Computing kpt #: 169 total cpu time spent up to now is 23.9 secs Computing kpt #: 170 total cpu time spent up to now is 24.1 secs Computing kpt #: 171 total cpu time spent up to now is 24.2 secs Computing kpt #: 172 total cpu time spent up to now is 24.3 secs Computing kpt #: 173 total cpu time spent up to now is 24.4 secs Computing kpt #: 174 total cpu time spent up to now is 24.6 secs Computing kpt #: 175 total cpu time spent up to now is 24.7 secs Computing kpt #: 176 total cpu time spent up to now is 24.8 secs Computing kpt #: 177 total cpu time spent up to now is 24.9 secs Computing kpt #: 178 total cpu time spent up to now is 25.0 secs Computing kpt #: 179 total cpu time spent up to now is 25.1 secs Computing kpt #: 180 total cpu time spent up to now is 25.3 secs Computing kpt #: 181 total cpu time spent up to now is 25.4 secs Computing kpt #: 182 total cpu time spent up to now is 25.6 secs Computing kpt #: 183 total cpu time spent up to now is 25.7 secs Computing kpt #: 184 total cpu time spent up to now is 25.9 secs Computing kpt #: 185 total cpu time spent up to now is 26.0 secs Computing kpt #: 186 total cpu time spent up to now is 26.1 secs Computing kpt #: 187 total cpu time spent up to now is 26.3 secs Computing kpt #: 188 total cpu time spent up to now is 26.4 secs Computing kpt #: 189 total cpu time spent up to now is 26.6 secs Computing kpt #: 190 total cpu time spent up to now is 26.7 secs Computing kpt #: 191 total cpu time spent up to now is 26.8 secs Computing kpt #: 192 total cpu time spent up to now is 27.0 secs Computing kpt #: 193 total cpu time spent up to now is 27.1 secs Computing kpt #: 194 total cpu time spent up to now is 27.3 secs Computing kpt #: 195 total cpu time spent up to now is 27.5 secs Computing kpt #: 196 total cpu time spent up to now is 27.6 secs Computing kpt #: 197 total cpu time spent up to now is 27.8 secs Computing kpt #: 198 total cpu time spent up to now is 27.9 secs Computing kpt #: 199 total cpu time spent up to now is 28.1 secs Computing kpt #: 200 total cpu time spent up to now is 28.2 secs Computing kpt #: 201 total cpu time spent up to now is 28.4 secs Computing kpt #: 202 total cpu time spent up to now is 28.6 secs Computing kpt #: 203 total cpu time spent up to now is 28.7 secs Computing kpt #: 204 total cpu time spent up to now is 28.9 secs Computing kpt #: 205 total cpu time spent up to now is 29.1 secs Computing kpt #: 206 total cpu time spent up to now is 29.3 secs Computing kpt #: 207 total cpu time spent up to now is 29.4 secs Computing kpt #: 208 total cpu time spent up to now is 29.6 secs Computing kpt #: 209 total cpu time spent up to now is 29.8 secs Computing kpt #: 210 total cpu time spent up to now is 29.9 secs Computing kpt #: 211 total cpu time spent up to now is 30.1 secs Computing kpt #: 212 total cpu time spent up to now is 30.3 secs Computing kpt #: 213 total cpu time spent up to now is 30.4 secs Computing kpt #: 214 total cpu time spent up to now is 30.6 secs Computing kpt #: 215 total cpu time spent up to now is 30.8 secs Computing kpt #: 216 total cpu time spent up to now is 30.9 secs Computing kpt #: 217 total cpu time spent up to now is 31.1 secs Computing kpt #: 218 total cpu time spent up to now is 31.2 secs Computing kpt #: 219 total cpu time spent up to now is 31.4 secs Computing kpt #: 220 total cpu time spent up to now is 31.5 secs Computing kpt #: 221 total cpu time spent up to now is 31.7 secs Computing kpt #: 222 total cpu time spent up to now is 31.8 secs Computing kpt #: 223 total cpu time spent up to now is 32.0 secs Computing kpt #: 224 total cpu time spent up to now is 32.1 secs Computing kpt #: 225 total cpu time spent up to now is 32.3 secs Computing kpt #: 226 total cpu time spent up to now is 32.4 secs Computing kpt #: 227 total cpu time spent up to now is 32.6 secs Computing kpt #: 228 total cpu time spent up to now is 32.7 secs Computing kpt #: 229 total cpu time spent up to now is 32.8 secs Computing kpt #: 230 total cpu time spent up to now is 33.0 secs Computing kpt #: 231 total cpu time spent up to now is 33.1 secs Computing kpt #: 232 total cpu time spent up to now is 33.2 secs Computing kpt #: 233 total cpu time spent up to now is 33.4 secs Computing kpt #: 234 total cpu time spent up to now is 33.5 secs Computing kpt #: 235 total cpu time spent up to now is 33.7 secs Computing kpt #: 236 total cpu time spent up to now is 33.8 secs Computing kpt #: 237 total cpu time spent up to now is 33.9 secs Computing kpt #: 238 total cpu time spent up to now is 34.1 secs Computing kpt #: 239 total cpu time spent up to now is 34.2 secs Computing kpt #: 240 total cpu time spent up to now is 34.3 secs Computing kpt #: 241 total cpu time spent up to now is 34.5 secs Computing kpt #: 242 total cpu time spent up to now is 34.6 secs Computing kpt #: 243 total cpu time spent up to now is 34.8 secs Computing kpt #: 244 total cpu time spent up to now is 34.9 secs Computing kpt #: 245 total cpu time spent up to now is 35.1 secs Computing kpt #: 246 total cpu time spent up to now is 35.2 secs Computing kpt #: 247 total cpu time spent up to now is 35.4 secs Computing kpt #: 248 total cpu time spent up to now is 35.5 secs Computing kpt #: 249 total cpu time spent up to now is 35.7 secs Computing kpt #: 250 total cpu time spent up to now is 35.9 secs Computing kpt #: 251 total cpu time spent up to now is 36.1 secs Computing kpt #: 252 total cpu time spent up to now is 36.2 secs Computing kpt #: 253 total cpu time spent up to now is 36.4 secs Computing kpt #: 254 total cpu time spent up to now is 36.5 secs Computing kpt #: 255 total cpu time spent up to now is 36.7 secs Computing kpt #: 256 total cpu time spent up to now is 36.9 secs Computing kpt #: 257 total cpu time spent up to now is 37.0 secs Computing kpt #: 258 total cpu time spent up to now is 37.2 secs Computing kpt #: 259 total cpu time spent up to now is 37.3 secs Computing kpt #: 260 total cpu time spent up to now is 37.5 secs Computing kpt #: 261 total cpu time spent up to now is 37.7 secs Computing kpt #: 262 total cpu time spent up to now is 37.8 secs Computing kpt #: 263 total cpu time spent up to now is 38.0 secs Computing kpt #: 264 total cpu time spent up to now is 38.2 secs Computing kpt #: 265 total cpu time spent up to now is 38.4 secs Computing kpt #: 266 total cpu time spent up to now is 38.5 secs Computing kpt #: 267 total cpu time spent up to now is 38.6 secs Computing kpt #: 268 total cpu time spent up to now is 38.7 secs Computing kpt #: 269 total cpu time spent up to now is 38.8 secs Computing kpt #: 270 total cpu time spent up to now is 39.0 secs Computing kpt #: 271 total cpu time spent up to now is 39.1 secs Computing kpt #: 272 total cpu time spent up to now is 39.2 secs Computing kpt #: 273 total cpu time spent up to now is 39.3 secs Computing kpt #: 274 total cpu time spent up to now is 39.4 secs Computing kpt #: 275 total cpu time spent up to now is 39.5 secs Computing kpt #: 276 total cpu time spent up to now is 39.6 secs Computing kpt #: 277 total cpu time spent up to now is 39.7 secs Computing kpt #: 278 total cpu time spent up to now is 39.8 secs Computing kpt #: 279 total cpu time spent up to now is 39.9 secs Computing kpt #: 280 total cpu time spent up to now is 40.0 secs Computing kpt #: 281 total cpu time spent up to now is 40.1 secs Computing kpt #: 282 total cpu time spent up to now is 40.2 secs Computing kpt #: 283 total cpu time spent up to now is 40.3 secs Computing kpt #: 284 total cpu time spent up to now is 40.4 secs Computing kpt #: 285 total cpu time spent up to now is 40.5 secs Computing kpt #: 286 total cpu time spent up to now is 40.6 secs Computing kpt #: 287 total cpu time spent up to now is 40.7 secs Computing kpt #: 288 total cpu time spent up to now is 40.8 secs Computing kpt #: 289 total cpu time spent up to now is 40.9 secs Computing kpt #: 290 total cpu time spent up to now is 41.0 secs Computing kpt #: 291 total cpu time spent up to now is 41.1 secs Computing kpt #: 292 total cpu time spent up to now is 41.2 secs Computing kpt #: 293 total cpu time spent up to now is 41.3 secs Computing kpt #: 294 total cpu time spent up to now is 41.4 secs Computing kpt #: 295 total cpu time spent up to now is 41.5 secs Computing kpt #: 296 total cpu time spent up to now is 41.6 secs Computing kpt #: 297 total cpu time spent up to now is 41.7 secs Computing kpt #: 298 total cpu time spent up to now is 41.9 secs Computing kpt #: 299 total cpu time spent up to now is 42.0 secs Computing kpt #: 300 total cpu time spent up to now is 42.1 secs Computing kpt #: 301 total cpu time spent up to now is 42.3 secs Computing kpt #: 302 total cpu time spent up to now is 42.4 secs Computing kpt #: 303 total cpu time spent up to now is 42.5 secs Computing kpt #: 304 total cpu time spent up to now is 42.6 secs Computing kpt #: 305 total cpu time spent up to now is 42.7 secs Computing kpt #: 306 total cpu time spent up to now is 42.9 secs Computing kpt #: 307 total cpu time spent up to now is 43.0 secs Computing kpt #: 308 total cpu time spent up to now is 43.1 secs Computing kpt #: 309 total cpu time spent up to now is 43.2 secs Computing kpt #: 310 total cpu time spent up to now is 43.3 secs Computing kpt #: 311 total cpu time spent up to now is 43.5 secs Computing kpt #: 312 total cpu time spent up to now is 43.6 secs Computing kpt #: 313 total cpu time spent up to now is 43.7 secs Computing kpt #: 314 total cpu time spent up to now is 43.8 secs Computing kpt #: 315 total cpu time spent up to now is 43.9 secs Computing kpt #: 316 total cpu time spent up to now is 44.1 secs Computing kpt #: 317 total cpu time spent up to now is 44.2 secs Computing kpt #: 318 total cpu time spent up to now is 44.3 secs Computing kpt #: 319 total cpu time spent up to now is 44.4 secs Computing kpt #: 320 total cpu time spent up to now is 44.5 secs Computing kpt #: 321 total cpu time spent up to now is 44.7 secs Computing kpt #: 322 total cpu time spent up to now is 44.8 secs Computing kpt #: 323 total cpu time spent up to now is 44.9 secs Computing kpt #: 324 total cpu time spent up to now is 45.0 secs Computing kpt #: 325 total cpu time spent up to now is 45.2 secs Computing kpt #: 326 total cpu time spent up to now is 45.3 secs Computing kpt #: 327 total cpu time spent up to now is 45.4 secs Computing kpt #: 328 total cpu time spent up to now is 45.5 secs Computing kpt #: 329 total cpu time spent up to now is 45.7 secs Computing kpt #: 330 total cpu time spent up to now is 45.8 secs Computing kpt #: 331 total cpu time spent up to now is 45.9 secs Computing kpt #: 332 total cpu time spent up to now is 46.1 secs Computing kpt #: 333 total cpu time spent up to now is 46.2 secs Computing kpt #: 334 total cpu time spent up to now is 46.3 secs Computing kpt #: 335 total cpu time spent up to now is 46.5 secs Computing kpt #: 336 total cpu time spent up to now is 46.6 secs Computing kpt #: 337 total cpu time spent up to now is 46.7 secs Computing kpt #: 338 total cpu time spent up to now is 46.8 secs Computing kpt #: 339 total cpu time spent up to now is 47.0 secs Computing kpt #: 340 total cpu time spent up to now is 47.1 secs Computing kpt #: 341 total cpu time spent up to now is 47.3 secs Computing kpt #: 342 total cpu time spent up to now is 47.5 secs Computing kpt #: 343 total cpu time spent up to now is 47.7 secs Computing kpt #: 344 total cpu time spent up to now is 47.8 secs Computing kpt #: 345 total cpu time spent up to now is 48.0 secs Computing kpt #: 346 total cpu time spent up to now is 48.2 secs Computing kpt #: 347 total cpu time spent up to now is 48.4 secs Computing kpt #: 348 total cpu time spent up to now is 48.5 secs Computing kpt #: 349 total cpu time spent up to now is 48.7 secs Computing kpt #: 350 total cpu time spent up to now is 48.9 secs Computing kpt #: 351 total cpu time spent up to now is 49.0 secs Computing kpt #: 352 total cpu time spent up to now is 49.2 secs Computing kpt #: 353 total cpu time spent up to now is 49.4 secs Computing kpt #: 354 total cpu time spent up to now is 49.5 secs Computing kpt #: 355 total cpu time spent up to now is 49.7 secs Computing kpt #: 356 total cpu time spent up to now is 49.8 secs Computing kpt #: 357 total cpu time spent up to now is 49.9 secs Computing kpt #: 358 total cpu time spent up to now is 50.1 secs Computing kpt #: 359 total cpu time spent up to now is 50.2 secs Computing kpt #: 360 total cpu time spent up to now is 50.4 secs Computing kpt #: 361 total cpu time spent up to now is 50.5 secs Computing kpt #: 362 total cpu time spent up to now is 50.6 secs Computing kpt #: 363 total cpu time spent up to now is 50.8 secs Computing kpt #: 364 total cpu time spent up to now is 50.9 secs Computing kpt #: 365 total cpu time spent up to now is 51.0 secs Computing kpt #: 366 total cpu time spent up to now is 51.2 secs Computing kpt #: 367 total cpu time spent up to now is 51.3 secs Computing kpt #: 368 total cpu time spent up to now is 51.5 secs Computing kpt #: 369 total cpu time spent up to now is 51.6 secs Computing kpt #: 370 total cpu time spent up to now is 51.7 secs Computing kpt #: 371 total cpu time spent up to now is 51.9 secs Computing kpt #: 372 total cpu time spent up to now is 52.0 secs Computing kpt #: 373 total cpu time spent up to now is 52.2 secs Computing kpt #: 374 total cpu time spent up to now is 52.3 secs Computing kpt #: 375 total cpu time spent up to now is 52.4 secs Computing kpt #: 376 total cpu time spent up to now is 52.5 secs Computing kpt #: 377 total cpu time spent up to now is 52.7 secs Computing kpt #: 378 total cpu time spent up to now is 52.9 secs Computing kpt #: 379 total cpu time spent up to now is 53.1 secs Computing kpt #: 380 total cpu time spent up to now is 53.3 secs Computing kpt #: 381 total cpu time spent up to now is 53.5 secs Computing kpt #: 382 total cpu time spent up to now is 53.7 secs Computing kpt #: 383 total cpu time spent up to now is 53.9 secs Computing kpt #: 384 total cpu time spent up to now is 54.0 secs Computing kpt #: 385 total cpu time spent up to now is 54.2 secs Computing kpt #: 386 total cpu time spent up to now is 54.4 secs Computing kpt #: 387 total cpu time spent up to now is 54.5 secs Computing kpt #: 388 total cpu time spent up to now is 54.7 secs Computing kpt #: 389 total cpu time spent up to now is 54.9 secs Computing kpt #: 390 total cpu time spent up to now is 55.2 secs Computing kpt #: 391 total cpu time spent up to now is 55.3 secs ethr = 3.57E-08, avg # of iterations = 14.3 total cpu time spent up to now is 55.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1551 PWs) bands (ev): -70.2916 -70.2916 -60.7663 -60.7663 -39.1022 -39.1022 -34.6312 -34.6312 -34.6312 -34.6312 -27.6984 -27.6984 -27.4103 -27.4103 -27.4103 -27.4103 6.3747 6.3747 9.9660 9.9660 9.9660 9.9660 12.0171 12.0171 12.0171 12.0171 12.2987 12.2987 21.2178 21.2178 21.5649 21.5649 21.5649 21.5649 24.2155 24.2155 k = 0.0000 0.0098-0.0000 ( 1559 PWs) bands (ev): -70.2916 -70.2916 -60.7663 -60.7663 -39.1022 -39.1022 -34.6313 -34.6313 -34.6312 -34.6312 -27.6984 -27.6984 -27.4104 -27.4104 -27.4103 -27.4103 6.3763 6.3763 9.9662 9.9662 9.9666 9.9666 12.0161 12.0161 12.0168 12.0168 12.2981 12.2981 21.2134 21.2134 21.5530 21.5530 21.5672 21.5672 24.2141 24.2141 k = 0.0000 0.0196-0.0000 ( 1559 PWs) bands (ev): -70.2916 -70.2916 -60.7663 -60.7663 -39.1022 -39.1022 -34.6314 -34.6314 -34.6312 -34.6312 -27.6985 -27.6985 -27.4104 -27.4104 -27.4103 -27.4103 6.3813 6.3813 9.9672 9.9672 9.9688 9.9688 12.0135 12.0135 12.0162 12.0162 12.2963 12.2963 21.1974 21.1974 21.5217 21.5217 21.5741 21.5741 24.2101 24.2101 k = 0.0000 0.0294-0.0000 ( 1559 PWs) bands (ev): -70.2916 -70.2916 -60.7663 -60.7663 -39.1023 -39.1023 -34.6316 -34.6316 -34.6312 -34.6312 -27.6985 -27.6985 -27.4105 -27.4105 -27.4103 -27.4103 6.3896 6.3896 9.9689 9.9689 9.9724 9.9724 12.0092 12.0092 12.0150 12.0150 12.2935 12.2935 21.1605 21.1605 21.4839 21.4839 21.5856 21.5856 24.2033 24.2033 k = 0.0000 0.0392-0.0000 ( 1559 PWs) bands (ev): -70.2916 -70.2916 -60.7663 -60.7663 -39.1023 -39.1023 -34.6318 -34.6318 -34.6312 -34.6312 -27.6985 -27.6985 -27.4106 -27.4106 -27.4103 -27.4103 6.4012 6.4012 9.9713 9.9713 9.9774 9.9774 12.0032 12.0032 12.0134 12.0134 12.2897 12.2897 21.0909 21.0909 21.4560 21.4560 21.6016 21.6016 24.1940 24.1940 k = 0.0000 0.0490-0.0000 ( 1559 PWs) bands (ev): -70.2916 -70.2916 -60.7663 -60.7663 -39.1024 -39.1024 -34.6322 -34.6322 -34.6311 -34.6311 -27.6986 -27.6986 -27.4108 -27.4108 -27.4103 -27.4103 6.4161 6.4161 9.9743 9.9743 9.9838 9.9838 11.9956 11.9956 12.0112 12.0112 12.2849 12.2849 20.9853 20.9853 21.4466 21.4466 21.6222 21.6222 24.1820 24.1820 k = 0.0000 0.0588-0.0000 ( 1559 PWs) bands (ev): -70.2915 -70.2915 -60.7663 -60.7663 -39.1026 -39.1026 -34.6326 -34.6326 -34.6310 -34.6310 -27.6987 -27.6987 -27.4109 -27.4109 -27.4103 -27.4103 6.4342 6.4342 9.9779 9.9779 9.9917 9.9917 11.9864 11.9864 12.0084 12.0084 12.2793 12.2793 20.8505 20.8505 21.4532 21.4532 21.6473 21.6473 24.1674 24.1674 k = 0.0000 0.0686-0.0000 ( 1555 PWs) bands (ev): -70.2915 -70.2915 -60.7662 -60.7662 -39.1027 -39.1027 -34.6330 -34.6330 -34.6310 -34.6310 -27.6988 -27.6988 -27.4111 -27.4111 -27.4103 -27.4103 6.4556 6.4556 9.9822 9.9822 10.0009 10.0009 11.9756 11.9756 12.0048 12.0048 12.2730 12.2730 20.6952 20.6952 21.4712 21.4712 21.6767 21.6767 24.1502 24.1502 k = 0.0000 0.0784-0.0000 ( 1559 PWs) bands (ev): -70.2914 -70.2914 -60.7662 -60.7662 -39.1029 -39.1029 -34.6336 -34.6336 -34.6309 -34.6309 -27.6989 -27.6989 -27.4114 -27.4114 -27.4103 -27.4103 6.4803 6.4803 9.9871 9.9871 10.0113 10.0113 11.9633 11.9633 12.0004 12.0004 12.2661 12.2661 20.5251 20.5251 21.4975 21.4975 21.7105 21.7105 24.1306 24.1306 k = 0.0000 0.0882-0.0000 ( 1567 PWs) bands (ev): -70.2914 -70.2914 -60.7662 -60.7662 -39.1031 -39.1031 -34.6342 -34.6342 -34.6308 -34.6308 -27.6990 -27.6990 -27.4117 -27.4117 -27.4103 -27.4103 6.5081 6.5081 9.9926 9.9926 10.0230 10.0230 11.9495 11.9495 11.9950 11.9950 12.2588 12.2588 20.3443 20.3443 21.5303 21.5303 21.7484 21.7484 24.1086 24.1086 k = 0.0000 0.0980-0.0000 ( 1559 PWs) bands (ev): -70.2913 -70.2913 -60.7662 -60.7662 -39.1033 -39.1033 -34.6348 -34.6348 -34.6307 -34.6307 -27.6991 -27.6991 -27.4119 -27.4119 -27.4103 -27.4103 6.5392 6.5392 9.9988 9.9988 10.0360 10.0360 11.9347 11.9347 11.9887 11.9887 12.2516 12.2516 20.1563 20.1563 21.5689 21.5689 21.7906 21.7906 24.0844 24.0844 k = 0.0000 0.1078-0.0000 ( 1559 PWs) bands (ev): -70.2913 -70.2913 -60.7662 -60.7662 -39.1035 -39.1035 -34.6356 -34.6356 -34.6306 -34.6306 -27.6993 -27.6993 -27.4123 -27.4123 -27.4103 -27.4103 6.5734 6.5734 10.0055 10.0055 10.0502 10.0502 11.9184 11.9184 11.9812 11.9812 12.2443 12.2443 19.9625 19.9625 21.6123 21.6123 21.8369 21.8369 24.0578 24.0578 k = 0.0000 0.1176-0.0000 ( 1559 PWs) bands (ev): -70.2912 -70.2912 -60.7661 -60.7661 -39.1037 -39.1037 -34.6363 -34.6363 -34.6305 -34.6305 -27.6994 -27.6994 -27.4126 -27.4126 -27.4103 -27.4103 6.6107 6.6107 10.0127 10.0127 10.0656 10.0656 11.9009 11.9009 11.9723 11.9723 12.2372 12.2372 19.7645 19.7645 21.6603 21.6603 21.8871 21.8871 24.0291 24.0291 k = 0.0000 0.1275-0.0000 ( 1559 PWs) bands (ev): -70.2911 -70.2911 -60.7661 -60.7661 -39.1040 -39.1040 -34.6372 -34.6372 -34.6304 -34.6304 -27.6996 -27.6996 -27.4130 -27.4130 -27.4103 -27.4103 6.6510 6.6510 10.0204 10.0204 10.0821 10.0821 11.8823 11.8823 11.9620 11.9620 12.2305 12.2305 19.5636 19.5636 21.7126 21.7126 21.9412 21.9412 23.9984 23.9984 k = 0.0000 0.1373-0.0000 ( 1567 PWs) bands (ev): -70.2911 -70.2911 -60.7661 -60.7661 -39.1042 -39.1042 -34.6381 -34.6381 -34.6302 -34.6302 -27.6998 -27.6998 -27.4134 -27.4134 -27.4103 -27.4103 6.6944 6.6944 10.0286 10.0286 10.0997 10.0997 11.8626 11.8626 11.9502 11.9502 12.2243 12.2243 19.3606 19.3606 21.7686 21.7686 21.9987 21.9987 23.9656 23.9656 k = 0.0000 0.1471-0.0000 ( 1563 PWs) bands (ev): -70.2910 -70.2910 -60.7660 -60.7660 -39.1045 -39.1045 -34.6390 -34.6390 -34.6301 -34.6301 -27.7000 -27.7000 -27.4138 -27.4138 -27.4103 -27.4103 6.7408 6.7408 10.0373 10.0373 10.1184 10.1184 11.8421 11.8421 11.9371 11.9371 12.2188 12.2188 19.1564 19.1564 21.8287 21.8287 22.0601 22.0601 23.9311 23.9311 k = 0.0000 0.1569-0.0000 ( 1571 PWs) bands (ev): -70.2910 -70.2910 -60.7660 -60.7660 -39.1048 -39.1048 -34.6400 -34.6400 -34.6300 -34.6300 -27.7002 -27.7002 -27.4143 -27.4143 -27.4103 -27.4103 6.7901 6.7901 10.0464 10.0464 10.1375 10.1375 11.8208 11.8208 11.9224 11.9224 12.2141 12.2141 18.9514 18.9514 21.8925 21.8925 22.1250 22.1250 23.8949 23.8949 k = 0.0000 0.1667-0.0000 ( 1571 PWs) bands (ev): -70.2909 -70.2909 -60.7660 -60.7660 -39.1051 -39.1051 -34.6410 -34.6410 -34.6298 -34.6298 -27.7004 -27.7004 -27.4147 -27.4147 -27.4103 -27.4103 6.8423 6.8423 10.0560 10.0560 10.1578 10.1578 11.7988 11.7988 11.9064 11.9064 12.2101 12.2101 18.7464 18.7464 21.9596 21.9596 22.1933 22.1933 23.8571 23.8571 k = 0.0000 0.1765-0.0000 ( 1575 PWs) bands (ev): -70.2908 -70.2908 -60.7660 -60.7660 -39.1055 -39.1055 -34.6421 -34.6421 -34.6296 -34.6296 -27.7006 -27.7006 -27.4152 -27.4152 -27.4103 -27.4103 6.8973 6.8973 10.0659 10.0659 10.1788 10.1788 11.7761 11.7761 11.8890 11.8890 12.2069 12.2069 18.5416 18.5416 22.0301 22.0301 22.2647 22.2647 23.8180 23.8180 k = 0.0000 0.1863-0.0000 ( 1575 PWs) bands (ev): -70.2907 -70.2907 -60.7659 -60.7659 -39.1058 -39.1058 -34.6432 -34.6432 -34.6295 -34.6295 -27.7009 -27.7009 -27.4156 -27.4156 -27.4103 -27.4103 6.9550 6.9550 10.0762 10.0762 10.2005 10.2005 11.7530 11.7530 11.8706 11.8706 12.2044 12.2044 18.3375 18.3375 22.1038 22.1038 22.3393 22.3393 23.7776 23.7776 k = 0.0000 0.1961-0.0000 ( 1563 PWs) bands (ev): -70.2906 -70.2906 -60.7659 -60.7659 -39.1061 -39.1061 -34.6443 -34.6443 -34.6293 -34.6293 -27.7010 -27.7010 -27.4161 -27.4161 -27.4102 -27.4102 7.0154 7.0154 10.0869 10.0869 10.2229 10.2229 11.7297 11.7297 11.8513 11.8513 12.2027 12.2027 18.1344 18.1344 22.1804 22.1804 22.4168 22.4168 23.7361 23.7361 k = 0.0000 0.2059-0.0000 ( 1563 PWs) bands (ev): -70.2905 -70.2905 -60.7658 -60.7658 -39.1065 -39.1065 -34.6454 -34.6454 -34.6291 -34.6291 -27.7013 -27.7013 -27.4166 -27.4166 -27.4102 -27.4102 7.0783 7.0783 10.0977 10.0977 10.2457 10.2457 11.7059 11.7059 11.8310 11.8310 12.2015 12.2015 17.9326 17.9326 22.2598 22.2598 22.4970 22.4970 23.6936 23.6936 k = 0.0000 0.2157-0.0000 ( 1570 PWs) bands (ev): -70.2904 -70.2904 -60.7658 -60.7658 -39.1068 -39.1068 -34.6466 -34.6466 -34.6290 -34.6290 -27.7015 -27.7015 -27.4171 -27.4171 -27.4102 -27.4102 7.1437 7.1437 10.1087 10.1087 10.2690 10.2690 11.6817 11.6817 11.8098 11.8098 12.2008 12.2008 17.7324 17.7324 22.3419 22.3419 22.5799 22.5799 23.6504 23.6504 k = 0.0000 0.2255-0.0000 ( 1570 PWs) bands (ev): -70.2903 -70.2903 -60.7658 -60.7658 -39.1072 -39.1072 -34.6477 -34.6477 -34.6288 -34.6288 -27.7018 -27.7018 -27.4176 -27.4176 -27.4102 -27.4102 7.2114 7.2114 10.1200 10.1200 10.2925 10.2925 11.6575 11.6575 11.7882 11.7882 12.2007 12.2007 17.5339 17.5339 22.4266 22.4266 22.6653 22.6653 23.6065 23.6065 k = 0.0000 0.2353-0.0000 ( 1570 PWs) bands (ev): -70.2902 -70.2902 -60.7657 -60.7657 -39.1075 -39.1075 -34.6489 -34.6489 -34.6286 -34.6286 -27.7020 -27.7020 -27.4181 -27.4181 -27.4102 -27.4102 7.2815 7.2815 10.1314 10.1314 10.3162 10.3162 11.6334 11.6334 11.7662 11.7662 12.2010 12.2010 17.3375 17.3375 22.5135 22.5135 22.7531 22.7531 23.5622 23.5622 k = 0.0000 0.2451-0.0000 ( 1554 PWs) bands (ev): -70.2901 -70.2901 -60.7657 -60.7657 -39.1079 -39.1079 -34.6501 -34.6501 -34.6284 -34.6284 -27.7022 -27.7022 -27.4185 -27.4185 -27.4102 -27.4102 7.3537 7.3537 10.1430 10.1430 10.3401 10.3401 11.6096 11.6096 11.7442 11.7442 12.2018 12.2018 17.1438 17.1438 22.6027 22.6027 22.8431 22.8431 23.5176 23.5176 k = 0.0000 0.2549-0.0000 ( 1554 PWs) bands (ev): -70.2900 -70.2900 -60.7656 -60.7656 -39.1083 -39.1083 -34.6513 -34.6513 -34.6282 -34.6282 -27.7024 -27.7024 -27.4190 -27.4190 -27.4102 -27.4102 7.4279 7.4279 10.1545 10.1545 10.3639 10.3639 11.5856 11.5856 11.7218 11.7218 12.2028 12.2028 16.9523 16.9523 22.6939 22.6939 22.9350 22.9350 23.4729 23.4729 k = 0.0000 0.2647-0.0000 ( 1554 PWs) bands (ev): -70.2899 -70.2899 -60.7656 -60.7656 -39.1086 -39.1086 -34.6525 -34.6525 -34.6281 -34.6281 -27.7027 -27.7027 -27.4195 -27.4195 -27.4102 -27.4102 7.5039 7.5039 10.1661 10.1661 10.3875 10.3875 11.5619 11.5619 11.6994 11.6994 12.2040 12.2040 16.7636 16.7636 22.7869 22.7869 23.0288 23.0288 23.4283 23.4283 k = 0.0000 0.2745-0.0000 ( 1554 PWs) bands (ev): -70.2898 -70.2898 -60.7656 -60.7656 -39.1090 -39.1090 -34.6537 -34.6537 -34.6279 -34.6279 -27.7029 -27.7029 -27.4201 -27.4201 -27.4101 -27.4101 7.5817 7.5817 10.1777 10.1777 10.4109 10.4109 11.5384 11.5384 11.6771 11.6771 12.2055 12.2055 16.5779 16.5779 22.8815 22.8815 23.1241 23.1241 23.3841 23.3841 k = 0.0000 0.2843-0.0000 ( 1558 PWs) bands (ev): -70.2897 -70.2897 -60.7655 -60.7655 -39.1093 -39.1093 -34.6548 -34.6548 -34.6277 -34.6277 -27.7032 -27.7032 -27.4206 -27.4206 -27.4102 -27.4102 7.6610 7.6610 10.1890 10.1890 10.4340 10.4340 11.5154 11.5154 11.6550 11.6550 12.2071 12.2071 16.3955 16.3955 22.9775 22.9775 23.2205 23.2205 23.3405 23.3405 k = 0.0000 0.2941-0.0000 ( 1558 PWs) bands (ev): -70.2896 -70.2896 -60.7655 -60.7655 -39.1097 -39.1097 -34.6560 -34.6560 -34.6275 -34.6275 -27.7034 -27.7034 -27.4211 -27.4211 -27.4101 -27.4101 7.7417 7.7417 10.2004 10.2004 10.4565 10.4565 11.4927 11.4927 11.6332 11.6332 12.2089 12.2089 16.2167 16.2167 23.0748 23.0748 23.2918 23.2918 23.3242 23.3242 k = 0.0000 0.3039-0.0000 ( 1558 PWs) bands (ev): -70.2895 -70.2895 -60.7655 -60.7655 -39.1100 -39.1100 -34.6571 -34.6571 -34.6274 -34.6274 -27.7037 -27.7037 -27.4215 -27.4215 -27.4101 -27.4101 7.8235 7.8235 10.2116 10.2116 10.4785 10.4785 11.4705 11.4705 11.6119 11.6119 12.2108 12.2108 16.0418 16.0418 23.1732 23.1732 23.2526 23.2526 23.4200 23.4200 k = 0.0000 0.3137-0.0000 ( 1550 PWs) bands (ev): -70.2894 -70.2894 -60.7654 -60.7654 -39.1104 -39.1104 -34.6582 -34.6582 -34.6272 -34.6272 -27.7039 -27.7039 -27.4220 -27.4220 -27.4101 -27.4101 7.9063 7.9063 10.2226 10.2226 10.4998 10.4998 11.4489 11.4489 11.5912 11.5912 12.2130 12.2130 15.8710 15.8710 23.2112 23.2112 23.2724 23.2724 23.5200 23.5200 k = 0.0000 0.3235-0.0000 ( 1550 PWs) bands (ev): -70.2893 -70.2893 -60.7654 -60.7654 -39.1107 -39.1107 -34.6593 -34.6593 -34.6270 -34.6270 -27.7041 -27.7041 -27.4224 -27.4224 -27.4101 -27.4101 7.9897 7.9897 10.2334 10.2334 10.5203 10.5203 11.4278 11.4278 11.5711 11.5711 12.2150 12.2150 15.7046 15.7046 23.1706 23.1706 23.3721 23.3721 23.6207 23.6207 k = 0.0000 0.3333-0.0000 ( 1550 PWs) bands (ev): -70.2892 -70.2892 -60.7653 -60.7653 -39.1110 -39.1110 -34.6604 -34.6604 -34.6269 -34.6269 -27.7043 -27.7043 -27.4229 -27.4229 -27.4101 -27.4101 8.0734 8.0734 10.2438 10.2438 10.5399 10.5399 11.4073 11.4073 11.5516 11.5516 12.2170 12.2170 15.5431 15.5431 23.1312 23.1312 23.4721 23.4721 23.7219 23.7219 k = 0.0000 0.3431-0.0000 ( 1550 PWs) bands (ev): -70.2892 -70.2892 -60.7653 -60.7653 -39.1113 -39.1113 -34.6614 -34.6614 -34.6267 -34.6267 -27.7046 -27.7046 -27.4233 -27.4233 -27.4101 -27.4101 8.1571 8.1571 10.2539 10.2539 10.5584 10.5584 11.3874 11.3874 11.5329 11.5329 12.2191 12.2191 15.3868 15.3868 23.0931 23.0931 23.5720 23.5720 23.8232 23.8232 k = 0.0000 0.3529-0.0000 ( 1558 PWs) bands (ev): -70.2891 -70.2891 -60.7653 -60.7653 -39.1117 -39.1117 -34.6623 -34.6623 -34.6266 -34.6266 -27.7048 -27.7048 -27.4238 -27.4238 -27.4101 -27.4101 8.2405 8.2405 10.2636 10.2636 10.5759 10.5759 11.3679 11.3679 11.5148 11.5148 12.2211 12.2211 15.2359 15.2359 23.0565 23.0565 23.6715 23.6715 23.9242 23.9242 k = 0.0000 0.3627-0.0000 ( 1558 PWs) bands (ev): -70.2890 -70.2890 -60.7653 -60.7653 -39.1119 -39.1119 -34.6633 -34.6633 -34.6264 -34.6264 -27.7050 -27.7050 -27.4242 -27.4242 -27.4101 -27.4101 8.3232 8.3232 10.2729 10.2729 10.5922 10.5922 11.3493 11.3493 11.4977 11.4977 12.2230 12.2230 15.0912 15.0912 23.0217 23.0217 23.7703 23.7703 24.0246 24.0246 k = 0.0000 0.3725-0.0000 ( 1570 PWs) bands (ev): -70.2890 -70.2890 -60.7652 -60.7652 -39.1122 -39.1122 -34.6642 -34.6642 -34.6263 -34.6263 -27.7052 -27.7052 -27.4246 -27.4246 -27.4101 -27.4101 8.4046 8.4046 10.2816 10.2816 10.6071 10.6071 11.3311 11.3311 11.4815 11.4815 12.2248 12.2248 14.9529 14.9529 22.9885 22.9885 23.8677 23.8677 24.1237 24.1237 k = 0.0000 0.3824-0.0000 ( 1570 PWs) bands (ev): -70.2889 -70.2889 -60.7652 -60.7652 -39.1125 -39.1125 -34.6650 -34.6650 -34.6262 -34.6262 -27.7054 -27.7054 -27.4249 -27.4249 -27.4101 -27.4101 8.4844 8.4844 10.2900 10.2900 10.6209 10.6209 11.3138 11.3138 11.4664 11.4664 12.2266 12.2266 14.8216 14.8216 22.9573 22.9573 23.9634 23.9634 24.2214 24.2214 k = 0.0000 0.3922-0.0000 ( 1570 PWs) bands (ev): -70.2888 -70.2888 -60.7652 -60.7652 -39.1127 -39.1127 -34.6658 -34.6658 -34.6261 -34.6261 -27.7056 -27.7056 -27.4253 -27.4253 -27.4101 -27.4101 8.5619 8.5619 10.2978 10.2978 10.6334 10.6334 11.2971 11.2971 11.4524 11.4524 12.2284 12.2284 14.6977 14.6977 22.9282 22.9282 24.0568 24.0568 24.3169 24.3169 k = 0.0000 0.4020-0.0000 ( 1558 PWs) bands (ev): -70.2888 -70.2888 -60.7652 -60.7652 -39.1129 -39.1129 -34.6665 -34.6665 -34.6259 -34.6259 -27.7057 -27.7057 -27.4255 -27.4255 -27.4100 -27.4100 8.6366 8.6366 10.3053 10.3053 10.6447 10.6447 11.2813 11.2813 11.4395 11.4395 12.2302 12.2302 14.5820 14.5820 22.9014 22.9014 24.1473 24.1473 24.4097 24.4097 k = 0.0000 0.4118-0.0000 ( 1558 PWs) bands (ev): -70.2887 -70.2887 -60.7651 -60.7651 -39.1131 -39.1131 -34.6671 -34.6671 -34.6258 -34.6258 -27.7058 -27.7058 -27.4258 -27.4258 -27.4100 -27.4100 8.7077 8.7077 10.3119 10.3119 10.6546 10.6546 11.2662 11.2662 11.4277 11.4277 12.2317 12.2317 14.4748 14.4748 22.8767 22.8767 24.2339 24.2339 24.4987 24.4987 k = 0.0000 0.4216-0.0000 ( 1558 PWs) bands (ev): -70.2887 -70.2887 -60.7651 -60.7651 -39.1133 -39.1133 -34.6677 -34.6677 -34.6258 -34.6258 -27.7060 -27.7060 -27.4260 -27.4260 -27.4100 -27.4100 8.7746 8.7746 10.3179 10.3179 10.6631 10.6631 11.2519 11.2519 11.4170 11.4170 12.2331 12.2331 14.3768 14.3768 22.8543 22.8543 24.3159 24.3159 24.5833 24.5833 k = 0.0000 0.4314-0.0000 ( 1558 PWs) bands (ev): -70.2886 -70.2886 -60.7651 -60.7651 -39.1135 -39.1135 -34.6682 -34.6682 -34.6257 -34.6257 -27.7061 -27.7061 -27.4263 -27.4263 -27.4100 -27.4100 8.8363 8.8363 10.3233 10.3233 10.6704 10.6704 11.2386 11.2386 11.4076 11.4076 12.2344 12.2344 14.2886 14.2886 22.8343 22.8343 24.3922 24.3922 24.6623 24.6623 k = 0.0000 0.4412-0.0000 ( 1558 PWs) bands (ev): -70.2886 -70.2886 -60.7651 -60.7651 -39.1136 -39.1136 -34.6687 -34.6687 -34.6256 -34.6256 -27.7062 -27.7062 -27.4265 -27.4265 -27.4100 -27.4100 8.8922 8.8922 10.3280 10.3280 10.6765 10.6765 11.2265 11.2265 11.3993 11.3993 12.2355 12.2355 14.2107 14.2107 22.8169 22.8169 24.4619 24.4619 24.7346 24.7346 k = 0.0000 0.4510-0.0000 ( 1562 PWs) bands (ev): -70.2886 -70.2886 -60.7651 -60.7651 -39.1138 -39.1138 -34.6691 -34.6691 -34.6255 -34.6255 -27.7063 -27.7063 -27.4267 -27.4267 -27.4100 -27.4100 8.9414 8.9414 10.3320 10.3320 10.6815 10.6815 11.2157 11.2157 11.3922 11.3922 12.2364 12.2364 14.1436 14.1436 22.8020 22.8020 24.5237 24.5237 24.7990 24.7990 k = 0.0000 0.4608-0.0000 ( 1554 PWs) bands (ev): -70.2885 -70.2885 -60.7650 -60.7650 -39.1138 -39.1138 -34.6694 -34.6694 -34.6255 -34.6255 -27.7063 -27.7063 -27.4268 -27.4268 -27.4100 -27.4100 8.9830 8.9830 10.3355 10.3355 10.6854 10.6854 11.2066 11.2066 11.3866 11.3866 12.2373 12.2373 14.0880 14.0880 22.7899 22.7899 24.5765 24.5765 24.8542 24.8542 k = 0.0000 0.4706-0.0000 ( 1550 PWs) bands (ev): -70.2885 -70.2885 -60.7650 -60.7650 -39.1139 -39.1139 -34.6697 -34.6697 -34.6254 -34.6254 -27.7064 -27.7064 -27.4269 -27.4269 -27.4099 -27.4099 9.0164 9.0164 10.3380 10.3380 10.6883 10.6883 11.1992 11.1992 11.3822 11.3822 12.2380 12.2380 14.0443 14.0443 22.7803 22.7803 24.6191 24.6191 24.8989 24.8989 k = 0.0000 0.4804-0.0000 ( 1542 PWs) bands (ev): -70.2884 -70.2884 -60.7650 -60.7650 -39.1140 -39.1140 -34.6698 -34.6698 -34.6254 -34.6254 -27.7064 -27.7064 -27.4269 -27.4269 -27.4099 -27.4099 9.0410 9.0410 10.3399 10.3399 10.6903 10.6903 11.1937 11.1937 11.3790 11.3790 12.2384 12.2384 14.0129 14.0129 22.7735 22.7735 24.6504 24.6504 24.9319 24.9319 k = 0.0000 0.4902-0.0000 ( 1542 PWs) bands (ev): -70.2884 -70.2884 -60.7650 -60.7650 -39.1140 -39.1140 -34.6700 -34.6700 -34.6254 -34.6254 -27.7064 -27.7064 -27.4269 -27.4269 -27.4099 -27.4099 9.0558 9.0558 10.3410 10.3410 10.6915 10.6915 11.1904 11.1904 11.3771 11.3771 12.2387 12.2387 13.9939 13.9939 22.7693 22.7693 24.6696 24.6696 24.9521 24.9521 k = 0.0000 0.5000-0.0000 ( 1542 PWs) bands (ev): -70.2884 -70.2884 -60.7650 -60.7650 -39.1140 -39.1140 -34.6700 -34.6700 -34.6254 -34.6254 -27.7064 -27.7064 -27.4269 -27.4269 -27.4099 -27.4099 9.0607 9.0607 10.3414 10.3414 10.6919 10.6919 11.1892 11.1892 11.3764 11.3764 12.2388 12.2388 13.9875 13.9875 22.7679 22.7679 24.6760 24.6760 24.9589 24.9589 k = 0.0000 0.5000-0.0000 ( 1542 PWs) bands (ev): -70.2884 -70.2884 -60.7650 -60.7650 -39.1140 -39.1140 -34.6700 -34.6700 -34.6254 -34.6254 -27.7064 -27.7064 -27.4269 -27.4269 -27.4099 -27.4099 9.0607 9.0607 10.3414 10.3414 10.6919 10.6919 11.1892 11.1892 11.3764 11.3764 12.2388 12.2388 13.9875 13.9875 22.7679 22.7679 24.6760 24.6760 24.9589 24.9589 k = 0.0098 0.5000-0.0000 ( 1542 PWs) bands (ev): -70.2884 -70.2884 -60.7650 -60.7650 -39.1140 -39.1140 -34.6700 -34.6700 -34.6254 -34.6254 -27.7064 -27.7064 -27.4269 -27.4269 -27.4099 -27.4099 9.0624 9.0624 10.3420 10.3420 10.6861 10.6861 11.1931 11.1931 11.3792 11.3792 12.2380 12.2380 13.9876 13.9876 22.7664 22.7664 24.6708 24.6708 24.9536 24.9536 k = 0.0196 0.5000-0.0000 ( 1542 PWs) bands (ev): -70.2884 -70.2884 -60.7650 -60.7650 -39.1141 -39.1141 -34.6700 -34.6700 -34.6255 -34.6255 -27.7064 -27.7064 -27.4269 -27.4269 -27.4100 -27.4100 9.0672 9.0672 10.3438 10.3438 10.6697 10.6697 11.2035 11.2035 11.3877 11.3877 12.2355 12.2355 13.9877 13.9877 22.7617 22.7617 24.6523 24.6523 24.9408 24.9408 k = 0.0294 0.5000-0.0000 ( 1554 PWs) bands (ev): -70.2884 -70.2884 -60.7650 -60.7650 -39.1141 -39.1141 -34.6701 -34.6701 -34.6257 -34.6257 -27.7065 -27.7065 -27.4270 -27.4270 -27.4101 -27.4101 9.0751 9.0751 10.3465 10.3465 10.6445 10.6445 11.2178 11.2178 11.4028 11.4028 12.2313 12.2313 13.9879 13.9879 22.7537 22.7537 24.6136 24.6136 24.9289 24.9289 k = 0.0392 0.5000-0.0000 ( 1566 PWs) bands (ev): -70.2884 -70.2884 -60.7650 -60.7650 -39.1142 -39.1142 -34.6701 -34.6701 -34.6259 -34.6259 -27.7066 -27.7066 -27.4270 -27.4270 -27.4102 -27.4102 9.0862 9.0862 10.3504 10.3504 10.6127 10.6127 11.2328 11.2328 11.4255 11.4255 12.2252 12.2252 13.9881 13.9881 22.7425 22.7425 24.5479 24.5479 24.9265 24.9265 k = 0.0490 0.5000-0.0000 ( 1566 PWs) bands (ev): -70.2884 -70.2884 -60.7650 -60.7650 -39.1143 -39.1143 -34.6702 -34.6702 -34.6261 -34.6261 -27.7066 -27.7066 -27.4270 -27.4270 -27.4103 -27.4103 9.1005 9.1005 10.3553 10.3553 10.5766 10.5766 11.2464 11.2464 11.4564 11.4564 12.2181 12.2181 13.9886 13.9886 22.7278 22.7278 24.4545 24.4545 24.9372 24.9372 k = 0.0588 0.5000-0.0000 ( 1564 PWs) bands (ev): -70.2884 -70.2884 -60.7650 -60.7650 -39.1144 -39.1144 -34.6702 -34.6702 -34.6264 -34.6264 -27.7066 -27.7066 -27.4270 -27.4270 -27.4103 -27.4103 9.1177 9.1177 10.3606 10.3606 10.5382 10.5382 11.2575 11.2575 11.4946 11.4946 12.2095 12.2095 13.9891 13.9891 22.7095 22.7095 24.3368 24.3368 24.9600 24.9600 k = 0.0686 0.5000-0.0000 ( 1564 PWs) bands (ev): -70.2883 -70.2883 -60.7650 -60.7650 -39.1146 -39.1146 -34.6703 -34.6703 -34.6267 -34.6267 -27.7067 -27.7067 -27.4271 -27.4271 -27.4104 -27.4104 9.1380 9.1380 10.3652 10.3652 10.4996 10.4996 11.2663 11.2663 11.5389 11.5389 12.1995 12.1995 13.9898 13.9898 22.6872 22.6872 24.1993 24.1993 24.9929 24.9929 k = 0.0784 0.5000-0.0000 ( 1568 PWs) bands (ev): -70.2883 -70.2883 -60.7650 -60.7650 -39.1148 -39.1148 -34.6705 -34.6705 -34.6271 -34.6271 -27.7067 -27.7067 -27.4271 -27.4271 -27.4106 -27.4106 9.1613 9.1613 10.3655 10.3655 10.4651 10.4651 11.2732 11.2732 11.5878 11.5878 12.1881 12.1881 13.9905 13.9905 22.6606 22.6606 24.0459 24.0459 25.0344 25.0344 k = 0.0882 0.5000-0.0000 ( 1568 PWs) bands (ev): -70.2883 -70.2883 -60.7649 -60.7649 -39.1149 -39.1149 -34.6706 -34.6706 -34.6275 -34.6275 -27.7068 -27.7068 -27.4271 -27.4271 -27.4107 -27.4107 9.1873 9.1873 10.3538 10.3538 10.4435 10.4435 11.2790 11.2790 11.6404 11.6404 12.1755 12.1755 13.9913 13.9913 22.6297 22.6297 23.8797 23.8797 25.0834 25.0834 k = 0.0980 0.5000-0.0000 ( 1572 PWs) bands (ev): -70.2882 -70.2882 -60.7649 -60.7649 -39.1152 -39.1152 -34.6707 -34.6707 -34.6280 -34.6280 -27.7069 -27.7069 -27.4271 -27.4271 -27.4109 -27.4109 9.2160 9.2160 10.3249 10.3249 10.4401 10.4401 11.2840 11.2840 11.6955 11.6955 12.1619 12.1619 13.9921 13.9921 22.5942 22.5942 23.7033 23.7033 25.1394 25.1394 k = 0.1078 0.5000-0.0000 ( 1572 PWs) bands (ev): -70.2882 -70.2882 -60.7649 -60.7649 -39.1154 -39.1154 -34.6709 -34.6709 -34.6285 -34.6285 -27.7069 -27.7069 -27.4271 -27.4271 -27.4111 -27.4111 9.2473 9.2473 10.2860 10.2860 10.4483 10.4483 11.2885 11.2885 11.7526 11.7526 12.1476 12.1476 13.9931 13.9931 22.5537 22.5537 23.5186 23.5186 25.2019 25.2019 k = 0.1176 0.5000-0.0000 ( 1566 PWs) bands (ev): -70.2881 -70.2881 -60.7649 -60.7649 -39.1156 -39.1156 -34.6711 -34.6711 -34.6290 -34.6290 -27.7070 -27.7070 -27.4272 -27.4272 -27.4112 -27.4112 9.2810 9.2810 10.2433 10.2433 10.4622 10.4622 11.2926 11.2926 11.8108 11.8108 12.1330 12.1330 13.9942 13.9942 22.5082 22.5082 23.3274 23.3274 25.2706 25.2706 k = 0.1275 0.5000-0.0000 ( 1562 PWs) bands (ev): -70.2880 -70.2880 -60.7648 -60.7648 -39.1159 -39.1159 -34.6713 -34.6713 -34.6296 -34.6296 -27.7070 -27.7070 -27.4272 -27.4272 -27.4114 -27.4114 9.3169 9.3169 10.1991 10.1991 10.4798 10.4798 11.2965 11.2965 11.8690 11.8690 12.1188 12.1188 13.9953 13.9953 22.4576 22.4576 23.1310 23.1310 25.3452 25.3452 k = 0.1373 0.5000-0.0000 ( 1566 PWs) bands (ev): -70.2880 -70.2880 -60.7648 -60.7648 -39.1161 -39.1161 -34.6715 -34.6715 -34.6302 -34.6302 -27.7071 -27.7071 -27.4272 -27.4272 -27.4116 -27.4116 9.3548 9.3548 10.1545 10.1545 10.5001 10.5001 11.3002 11.3002 11.9249 11.9249 12.1070 12.1070 13.9964 13.9964 22.4015 22.4015 22.9306 22.9306 25.4255 25.4255 k = 0.1471 0.5000-0.0000 ( 1566 PWs) bands (ev): -70.2879 -70.2879 -60.7648 -60.7648 -39.1164 -39.1164 -34.6718 -34.6718 -34.6308 -34.6308 -27.7072 -27.7072 -27.4273 -27.4273 -27.4117 -27.4117 9.3945 9.3945 10.1100 10.1100 10.5231 10.5231 11.3039 11.3039 11.9725 11.9725 12.1040 12.1040 13.9976 13.9976 22.3400 22.3400 22.7273 22.7273 25.5115 25.5115 k = 0.1569 0.5000-0.0000 ( 1566 PWs) bands (ev): -70.2878 -70.2878 -60.7647 -60.7647 -39.1167 -39.1167 -34.6720 -34.6720 -34.6314 -34.6314 -27.7073 -27.7073 -27.4273 -27.4273 -27.4119 -27.4119 9.4356 9.4356 10.0658 10.0658 10.5487 10.5487 11.3076 11.3076 11.9978 11.9978 12.1235 12.1235 13.9988 13.9988 22.2728 22.2728 22.5221 22.5221 25.6028 25.6028 k = 0.1667 0.5000-0.0000 ( 1578 PWs) bands (ev): -70.2878 -70.2878 -60.7647 -60.7647 -39.1171 -39.1171 -34.6724 -34.6724 -34.6320 -34.6320 -27.7074 -27.7074 -27.4274 -27.4274 -27.4122 -27.4122 9.4779 9.4779 10.0221 10.0221 10.5769 10.5769 11.3110 11.3110 11.9973 11.9973 12.1689 12.1689 13.9999 13.9999 22.1978 22.1978 22.3179 22.3179 25.6991 25.6991 k = 0.1765 0.5000-0.0000 ( 1574 PWs) bands (ev): -70.2877 -70.2877 -60.7647 -60.7647 -39.1174 -39.1174 -34.6727 -34.6727 -34.6327 -34.6327 -27.7075 -27.7075 -27.4275 -27.4275 -27.4124 -27.4124 9.5211 9.5211 9.9791 9.9791 10.6081 10.6081 11.3147 11.3147 11.9844 11.9844 12.2272 12.2272 14.0011 14.0011 22.0840 22.0840 22.1467 22.1467 25.8007 25.8007 k = 0.1863 0.5000-0.0000 ( 1574 PWs) bands (ev): -70.2876 -70.2876 -60.7646 -60.7646 -39.1177 -39.1177 -34.6731 -34.6731 -34.6333 -34.6333 -27.7076 -27.7076 -27.4276 -27.4276 -27.4126 -27.4126 9.5649 9.5649 9.9369 9.9369 10.6423 10.6423 11.3184 11.3184 11.9666 11.9666 12.2904 12.2904 14.0023 14.0023 21.8870 21.8870 22.0537 22.0537 25.9070 25.9070 k = 0.1961 0.5000-0.0000 ( 1576 PWs) bands (ev): -70.2875 -70.2875 -60.7646 -60.7646 -39.1181 -39.1181 -34.6735 -34.6735 -34.6339 -34.6339 -27.7077 -27.7077 -27.4277 -27.4277 -27.4128 -27.4128 9.6087 9.6087 9.8957 9.8957 10.6797 10.6797 11.3220 11.3220 11.9465 11.9465 12.3560 12.3560 14.0035 14.0035 21.6792 21.6792 21.9673 21.9673 26.0177 26.0177 k = 0.2059 0.5000-0.0000 ( 1576 PWs) bands (ev): -70.2874 -70.2874 -60.7645 -60.7645 -39.1184 -39.1184 -34.6739 -34.6739 -34.6346 -34.6346 -27.7079 -27.7079 -27.4278 -27.4278 -27.4130 -27.4130 9.6518 9.6518 9.8560 9.8560 10.7205 10.7205 11.3257 11.3257 11.9255 11.9255 12.4230 12.4230 14.0046 14.0046 21.4702 21.4702 21.8784 21.8784 26.1326 26.1326 k = 0.2157 0.5000-0.0000 ( 1572 PWs) bands (ev): -70.2873 -70.2873 -60.7645 -60.7645 -39.1188 -39.1188 -34.6743 -34.6743 -34.6352 -34.6352 -27.7080 -27.7080 -27.4278 -27.4278 -27.4131 -27.4131 9.6927 9.6927 9.8192 9.8192 10.7648 10.7648 11.3295 11.3295 11.9039 11.9039 12.4909 12.4909 14.0057 14.0057 21.2614 21.2614 21.7866 21.7866 26.2509 26.2509 k = 0.2255 0.5000-0.0000 ( 1568 PWs) bands (ev): -70.2872 -70.2872 -60.7644 -60.7644 -39.1192 -39.1192 -34.6748 -34.6748 -34.6358 -34.6358 -27.7081 -27.7081 -27.4279 -27.4279 -27.4133 -27.4133 9.7242 9.7242 9.7919 9.7919 10.8130 10.8130 11.3332 11.3332 11.8820 11.8820 12.5593 12.5593 14.0068 14.0068 21.0533 21.0533 21.6924 21.6924 26.3714 26.3714 k = 0.2353 0.5000-0.0000 ( 1568 PWs) bands (ev): -70.2871 -70.2871 -60.7644 -60.7644 -39.1195 -39.1195 -34.6753 -34.6753 -34.6363 -34.6363 -27.7082 -27.7082 -27.4281 -27.4281 -27.4135 -27.4135 9.7196 9.7196 9.8006 9.8006 10.8648 10.8648 11.3370 11.3370 11.8602 11.8602 12.6281 12.6281 14.0077 14.0077 20.8461 20.8461 21.5957 21.5957 26.4907 26.4907 k = 0.2451 0.5000-0.0000 ( 1578 PWs) bands (ev): -70.2870 -70.2870 -60.7644 -60.7644 -39.1199 -39.1199 -34.6759 -34.6759 -34.6369 -34.6369 -27.7083 -27.7083 -27.4282 -27.4282 -27.4137 -27.4137 9.6896 9.6896 9.8344 9.8344 10.9202 10.9202 11.3407 11.3407 11.8386 11.8386 12.6970 12.6970 14.0084 14.0084 20.6403 20.6403 21.4969 21.4969 26.6001 26.6001 k = 0.2549 0.5000-0.0000 ( 1578 PWs) bands (ev): -70.2869 -70.2869 -60.7643 -60.7643 -39.1203 -39.1203 -34.6764 -34.6764 -34.6374 -34.6374 -27.7084 -27.7084 -27.4284 -27.4284 -27.4138 -27.4138 9.6558 9.6558 9.8715 9.8715 10.9796 10.9796 11.3446 11.3446 11.8175 11.8175 12.7660 12.7660 14.0091 14.0091 20.4361 20.4361 21.3970 21.3970 26.6882 26.6882 k = 0.2647 0.5000-0.0000 ( 1574 PWs) bands (ev): -70.2868 -70.2868 -60.7643 -60.7643 -39.1207 -39.1207 -34.6770 -34.6770 -34.6379 -34.6379 -27.7086 -27.7086 -27.4285 -27.4285 -27.4139 -27.4139 9.6220 9.6220 9.9083 9.9083 11.0425 11.0425 11.3486 11.3486 11.7972 11.7972 12.8349 12.8349 14.0096 14.0096 20.2338 20.2338 21.2961 21.2961 26.7596 26.7596 k = 0.2745 0.5000-0.0000 ( 1574 PWs) bands (ev): -70.2867 -70.2867 -60.7642 -60.7642 -39.1210 -39.1210 -34.6776 -34.6776 -34.6384 -34.6384 -27.7087 -27.7087 -27.4287 -27.4287 -27.4141 -27.4141 9.5887 9.5887 9.9436 9.9436 11.1083 11.1083 11.3529 11.3529 11.7780 11.7780 12.9036 12.9036 14.0100 14.0100 20.0336 20.0336 21.1947 21.1947 26.8268 26.8268 k = 0.2843 0.5000-0.0000 ( 1574 PWs) bands (ev): -70.2866 -70.2866 -60.7642 -60.7642 -39.1214 -39.1214 -34.6783 -34.6783 -34.6389 -34.6389 -27.7088 -27.7088 -27.4288 -27.4288 -27.4142 -27.4142 9.5564 9.5564 9.9773 9.9773 11.1761 11.1761 11.3579 11.3579 11.7604 11.7604 12.9718 12.9718 14.0101 14.0101 19.8358 19.8358 21.0932 21.0932 26.8953 26.8953 k = 0.2941 0.5000-0.0000 ( 1574 PWs) bands (ev): -70.2865 -70.2865 -60.7641 -60.7641 -39.1218 -39.1218 -34.6789 -34.6789 -34.6393 -34.6393 -27.7089 -27.7089 -27.4290 -27.4290 -27.4143 -27.4143 9.5252 9.5252 10.0091 10.0091 11.2436 11.2436 11.3650 11.3650 11.7451 11.7451 13.0394 13.0394 14.0100 14.0100 19.6408 19.6408 20.9922 20.9922 26.9667 26.9667 k = 0.3039 0.5000-0.0000 ( 1576 PWs) bands (ev): -70.2865 -70.2865 -60.7641 -60.7641 -39.1221 -39.1221 -34.6795 -34.6795 -34.6397 -34.6397 -27.7090 -27.7090 -27.4292 -27.4292 -27.4144 -27.4144 9.4952 9.4952 10.0390 10.0390 11.3034 11.3034 11.3800 11.3800 11.7335 11.7335 13.1064 13.1064 14.0097 14.0097 19.4486 19.4486 20.8919 20.8919 27.0417 27.0417 k = 0.3137 0.5000-0.0000 ( 1576 PWs) bands (ev): -70.2864 -70.2864 -60.7640 -60.7640 -39.1225 -39.1225 -34.6802 -34.6802 -34.6401 -34.6401 -27.7092 -27.7092 -27.4293 -27.4293 -27.4145 -27.4145 9.4664 9.4664 10.0671 10.0671 11.3376 11.3376 11.4179 11.4179 11.7285 11.7285 13.1723 13.1723 14.0090 14.0090 19.2597 19.2597 20.7930 20.7930 27.1202 27.1202 k = 0.3235 0.5000-0.0000 ( 1580 PWs) bands (ev): -70.2863 -70.2863 -60.7640 -60.7640 -39.1228 -39.1228 -34.6809 -34.6809 -34.6404 -34.6404 -27.7093 -27.7093 -27.4295 -27.4295 -27.4146 -27.4146 9.4388 9.4388 10.0934 10.0934 11.3498 11.3498 11.4698 11.4698 11.7349 11.7349 13.2371 13.2371 14.0080 14.0080 19.0745 19.0745 20.6956 20.6956 27.2020 27.2020 k = 0.3333 0.5000-0.0000 ( 1580 PWs) bands (ev): -70.2862 -70.2862 -60.7640 -60.7640 -39.1232 -39.1232 -34.6815 -34.6815 -34.6407 -34.6407 -27.7094 -27.7094 -27.4297 -27.4297 -27.4147 -27.4147 9.4126 9.4126 10.1178 10.1178 11.3553 11.3553 11.5123 11.5123 11.7606 11.7606 13.3006 13.3006 14.0067 14.0067 18.8932 18.8932 20.6004 20.6004 27.2869 27.2869 k = 0.3431 0.5000-0.0000 ( 1582 PWs) bands (ev): -70.2861 -70.2861 -60.7639 -60.7639 -39.1235 -39.1235 -34.6822 -34.6822 -34.6410 -34.6410 -27.7095 -27.7095 -27.4299 -27.4299 -27.4148 -27.4148 9.3876 9.3876 10.1405 10.1405 11.3586 11.3586 11.5360 11.5360 11.8099 11.8099 13.3624 13.3624 14.0051 14.0051 18.7162 18.7162 20.5076 20.5076 27.3746 27.3746 k = 0.3529 0.5000-0.0000 ( 1582 PWs) bands (ev): -70.2861 -70.2861 -60.7639 -60.7639 -39.1238 -39.1238 -34.6828 -34.6828 -34.6413 -34.6413 -27.7096 -27.7096 -27.4301 -27.4301 -27.4148 -27.4148 9.3641 9.3641 10.1616 10.1616 11.3608 11.3608 11.5441 11.5441 11.8783 11.8783 13.4223 13.4223 14.0031 14.0031 18.5440 18.5440 20.4177 20.4177 27.4645 27.4645 k = 0.3627 0.5000-0.0000 ( 1586 PWs) bands (ev): -70.2860 -70.2860 -60.7639 -60.7639 -39.1241 -39.1241 -34.6834 -34.6834 -34.6415 -34.6415 -27.7097 -27.7097 -27.4303 -27.4303 -27.4149 -27.4149 9.3420 9.3420 10.1810 10.1810 11.3621 11.3621 11.5434 11.5434 11.9580 11.9580 13.4800 13.4800 14.0007 14.0007 18.3770 18.3770 20.3312 20.3312 27.5564 27.5564 k = 0.3725 0.5000-0.0000 ( 1588 PWs) bands (ev): -70.2859 -70.2859 -60.7638 -60.7638 -39.1244 -39.1244 -34.6840 -34.6840 -34.6417 -34.6417 -27.7099 -27.7099 -27.4305 -27.4305 -27.4149 -27.4149 9.3212 9.3212 10.1988 10.1988 11.3629 11.3629 11.5387 11.5387 12.0437 12.0437 13.5351 13.5351 13.9980 13.9980 18.2159 18.2159 20.2483 20.2483 27.6498 27.6498 k = 0.3824 0.5000-0.0000 ( 1584 PWs) bands (ev): -70.2858 -70.2858 -60.7638 -60.7638 -39.1246 -39.1246 -34.6846 -34.6846 -34.6419 -34.6419 -27.7099 -27.7099 -27.4306 -27.4306 -27.4150 -27.4150 9.3020 9.3020 10.2153 10.2153 11.3632 11.3632 11.5324 11.5324 12.1322 12.1322 13.5873 13.5873 13.9951 13.9951 18.0612 18.0612 20.1696 20.1696 27.7440 27.7440 k = 0.3922 0.5000-0.0000 ( 1576 PWs) bands (ev): -70.2858 -70.2858 -60.7638 -60.7638 -39.1249 -39.1249 -34.6851 -34.6851 -34.6421 -34.6421 -27.7100 -27.7100 -27.4307 -27.4307 -27.4150 -27.4150 9.2843 9.2843 10.2303 10.2303 11.3630 11.3630 11.5256 11.5256 12.2217 12.2217 13.6360 13.6360 13.9922 13.9922 17.9137 17.9137 20.0954 20.0954 27.8382 27.8382 k = 0.4020 0.5000-0.0000 ( 1576 PWs) bands (ev): -70.2857 -70.2857 -60.7637 -60.7637 -39.1251 -39.1251 -34.6856 -34.6856 -34.6422 -34.6422 -27.7101 -27.7101 -27.4309 -27.4309 -27.4150 -27.4150 9.2680 9.2680 10.2438 10.2438 11.3623 11.3623 11.5190 11.5190 12.3104 12.3104 13.6806 13.6806 13.9893 13.9893 17.7740 17.7740 20.0260 20.0260 27.8538 27.8538 k = 0.4118 0.5000-0.0000 ( 1580 PWs) bands (ev): -70.2857 -70.2857 -60.7637 -60.7637 -39.1253 -39.1253 -34.6861 -34.6861 -34.6423 -34.6423 -27.7102 -27.7102 -27.4310 -27.4310 -27.4150 -27.4150 9.2532 9.2532 10.2560 10.2560 11.3611 11.3611 11.5128 11.5128 12.3973 12.3973 13.7205 13.7205 13.9871 13.9871 17.6430 17.6430 19.9618 19.9618 27.8548 27.8548 k = 0.4216 0.5000-0.0000 ( 1580 PWs) bands (ev): -70.2856 -70.2856 -60.7637 -60.7637 -39.1255 -39.1255 -34.6865 -34.6865 -34.6424 -34.6424 -27.7102 -27.7102 -27.4311 -27.4311 -27.4151 -27.4151 9.2399 9.2399 10.2668 10.2668 11.3597 11.3597 11.5074 11.5074 12.4810 12.4810 13.7547 13.7547 13.9861 13.9861 17.5216 17.5216 19.9032 19.9032 27.8558 27.8558 k = 0.4314 0.5000-0.0000 ( 1580 PWs) bands (ev): -70.2856 -70.2856 -60.7637 -60.7637 -39.1257 -39.1257 -34.6869 -34.6869 -34.6425 -34.6425 -27.7103 -27.7103 -27.4313 -27.4313 -27.4151 -27.4151 9.2281 9.2281 10.2763 10.2763 11.3581 11.3581 11.5028 11.5028 12.5603 12.5603 13.7824 13.7824 13.9870 13.9870 17.4109 17.4109 19.8506 19.8506 27.8567 27.8567 k = 0.4412 0.5000-0.0000 ( 1584 PWs) bands (ev): -70.2855 -70.2855 -60.7637 -60.7637 -39.1258 -39.1258 -34.6873 -34.6873 -34.6426 -34.6426 -27.7104 -27.7104 -27.4314 -27.4314 -27.4151 -27.4151 9.2178 9.2178 10.2845 10.2845 11.3563 11.3563 11.4989 11.4989 12.6338 12.6338 13.8029 13.8029 13.9905 13.9905 17.3119 17.3119 19.8043 19.8043 27.8575 27.8575 k = 0.4510 0.5000-0.0000 ( 1588 PWs) bands (ev): -70.2855 -70.2855 -60.7636 -60.7636 -39.1260 -39.1260 -34.6876 -34.6876 -34.6427 -34.6427 -27.7104 -27.7104 -27.4315 -27.4315 -27.4151 -27.4151 9.2091 9.2091 10.2914 10.2914 11.3547 11.3547 11.4957 11.4957 12.7001 12.7001 13.8160 13.8160 13.9965 13.9965 17.2256 17.2256 19.7644 19.7644 27.8581 27.8582 k = 0.4608 0.5000-0.0000 ( 1592 PWs) bands (ev): -70.2855 -70.2855 -60.7636 -60.7636 -39.1261 -39.1261 -34.6878 -34.6878 -34.6428 -34.6428 -27.7105 -27.7105 -27.4316 -27.4316 -27.4151 -27.4151 9.2019 9.2019 10.2970 10.2970 11.3531 11.3531 11.4933 11.4933 12.7575 12.7575 13.8230 13.8230 14.0043 14.0043 17.1533 17.1533 19.7314 19.7314 27.8588 27.8588 k = 0.4706 0.5000-0.0000 ( 1596 PWs) bands (ev): -70.2855 -70.2855 -60.7636 -60.7636 -39.1261 -39.1261 -34.6880 -34.6880 -34.6428 -34.6428 -27.7105 -27.7105 -27.4317 -27.4317 -27.4152 -27.4152 9.1963 9.1963 10.3013 10.3013 11.3518 11.3518 11.4914 11.4914 12.8043 12.8043 13.8256 13.8256 14.0124 14.0124 17.0957 17.0957 19.7055 19.7055 27.8592 27.8592 k = 0.4804 0.5000-0.0000 ( 1596 PWs) bands (ev): -70.2855 -70.2855 -60.7636 -60.7636 -39.1262 -39.1262 -34.6882 -34.6882 -34.6428 -34.6428 -27.7105 -27.7105 -27.4317 -27.4317 -27.4152 -27.4152 9.1924 9.1924 10.3044 10.3044 11.3508 11.3508 11.4901 11.4901 12.8392 12.8392 13.8258 13.8258 14.0193 14.0193 17.0539 17.0539 19.6870 19.6870 27.8595 27.8595 k = 0.4902 0.5000-0.0000 ( 1596 PWs) bands (ev): -70.2855 -70.2855 -60.7636 -60.7636 -39.1262 -39.1262 -34.6882 -34.6882 -34.6429 -34.6429 -27.7106 -27.7106 -27.4317 -27.4317 -27.4152 -27.4152 9.1900 9.1900 10.3063 10.3063 11.3502 11.3502 11.4894 11.4894 12.8608 12.8608 13.8252 13.8252 14.0239 14.0239 17.0286 17.0286 19.6757 19.6757 27.8597 27.8597 k = 0.5000 0.5000-0.0000 ( 1596 PWs) bands (ev): -70.2855 -70.2855 -60.7636 -60.7636 -39.1263 -39.1263 -34.6883 -34.6883 -34.6429 -34.6429 -27.7106 -27.7106 -27.4317 -27.4317 -27.4152 -27.4152 9.1892 9.1892 10.3069 10.3069 11.3500 11.3500 11.4891 11.4891 12.8681 12.8681 13.8249 13.8249 14.0255 14.0255 17.0201 17.0201 19.6720 19.6720 27.8597 27.8597 k = 0.5000 0.5000-0.0000 ( 1596 PWs) bands (ev): -70.2855 -70.2855 -60.7636 -60.7636 -39.1263 -39.1263 -34.6883 -34.6883 -34.6429 -34.6429 -27.7106 -27.7106 -27.4317 -27.4317 -27.4152 -27.4152 9.1892 9.1892 10.3069 10.3069 11.3500 11.3500 11.4891 11.4891 12.8681 12.8681 13.8249 13.8249 14.0255 14.0255 17.0201 17.0201 19.6720 19.6720 27.8597 27.8597 k = 0.4931 0.4931-0.0000 ( 1596 PWs) bands (ev): -70.2855 -70.2855 -60.7636 -60.7636 -39.1262 -39.1262 -34.6882 -34.6882 -34.6429 -34.6429 -27.7106 -27.7106 -27.4317 -27.4317 -27.4152 -27.4152 9.1900 9.1900 10.3063 10.3063 11.3502 11.3502 11.4894 11.4894 12.8608 12.8608 13.8249 13.8249 14.0243 14.0243 17.0286 17.0286 19.6758 19.6758 27.8597 27.8597 k = 0.4861 0.4861-0.0000 ( 1596 PWs) bands (ev): -70.2855 -70.2855 -60.7636 -60.7636 -39.1262 -39.1262 -34.6882 -34.6882 -34.6428 -34.6428 -27.7105 -27.7105 -27.4317 -27.4317 -27.4152 -27.4152 9.1924 9.1924 10.3044 10.3044 11.3508 11.3508 11.4901 11.4901 12.8396 12.8396 13.8198 13.8198 14.0252 14.0252 17.0536 17.0536 19.6871 19.6871 27.8594 27.8594 k = 0.4792 0.4792-0.0000 ( 1596 PWs) bands (ev): -70.2855 -70.2855 -60.7636 -60.7636 -39.1261 -39.1261 -34.6880 -34.6880 -34.6428 -34.6428 -27.7105 -27.7105 -27.4317 -27.4317 -27.4152 -27.4152 9.1963 9.1963 10.3013 10.3013 11.3519 11.3519 11.4913 11.4913 12.8062 12.8062 13.7986 13.7986 14.0388 14.0388 17.0939 17.0939 19.7062 19.7062 27.8585 27.8585 k = 0.4722 0.4722-0.0000 ( 1588 PWs) bands (ev): -70.2855 -70.2855 -60.7636 -60.7636 -39.1261 -39.1261 -34.6878 -34.6878 -34.6428 -34.6428 -27.7105 -27.7105 -27.4316 -27.4316 -27.4151 -27.4151 9.2019 9.2019 10.2970 10.2970 11.3534 11.3534 11.4931 11.4931 12.7630 12.7630 13.7545 13.7545 14.0715 14.0715 17.1475 17.1475 19.7334 19.7334 27.8566 27.8566 k = 0.4653 0.4653-0.0000 ( 1588 PWs) bands (ev): -70.2855 -70.2855 -60.7636 -60.7636 -39.1260 -39.1260 -34.6876 -34.6876 -34.6427 -34.6427 -27.7104 -27.7104 -27.4315 -27.4315 -27.4151 -27.4151 9.2087 9.2087 10.2913 10.2913 11.3553 11.3553 11.4953 11.4953 12.7122 12.7122 13.6894 13.6894 14.1210 14.1210 17.2119 17.2119 19.7688 19.7688 27.8529 27.8529 k = 0.4583 0.4583-0.0000 ( 1584 PWs) bands (ev): -70.2855 -70.2855 -60.7637 -60.7637 -39.1258 -39.1258 -34.6873 -34.6873 -34.6426 -34.6426 -27.7104 -27.7104 -27.4314 -27.4314 -27.4151 -27.4151 9.2169 9.2169 10.2845 10.2845 11.3576 11.3576 11.4979 11.4979 12.6557 12.6557 13.6085 13.6085 14.1827 14.1827 17.2846 17.2846 19.8129 19.8129 27.8463 27.8463 k = 0.4514 0.4514-0.0000 ( 1584 PWs) bands (ev): -70.2856 -70.2856 -60.7637 -60.7637 -39.1257 -39.1257 -34.6869 -34.6869 -34.6426 -34.6426 -27.7103 -27.7103 -27.4313 -27.4313 -27.4151 -27.4151 9.2263 9.2263 10.2763 10.2763 11.3603 11.3603 11.5010 11.5010 12.5950 12.5950 13.5158 13.5158 14.2530 14.2530 17.3631 17.3631 19.8662 19.8662 27.8352 27.8352 k = 0.4444 0.4444-0.0000 ( 1584 PWs) bands (ev): -70.2856 -70.2856 -60.7637 -60.7637 -39.1255 -39.1255 -34.6865 -34.6865 -34.6425 -34.6425 -27.7102 -27.7102 -27.4311 -27.4311 -27.4151 -27.4151 9.2368 9.2368 10.2669 10.2669 11.3633 11.3633 11.5045 11.5045 12.5313 12.5313 13.4143 13.4143 14.3297 14.3297 17.4451 17.4451 19.9290 19.9290 27.8179 27.8179 k = 0.4375 0.4375-0.0000 ( 1584 PWs) bands (ev): -70.2857 -70.2857 -60.7637 -60.7637 -39.1253 -39.1253 -34.6860 -34.6860 -34.6424 -34.6424 -27.7102 -27.7102 -27.4310 -27.4310 -27.4151 -27.4151 9.2483 9.2483 10.2563 10.2563 11.3667 11.3667 11.5084 11.5084 12.4657 12.4657 13.3065 13.3065 14.4113 14.4113 17.5284 17.5284 20.0017 20.0017 27.7921 27.7921 k = 0.4306 0.4306-0.0000 ( 1584 PWs) bands (ev): -70.2857 -70.2857 -60.7637 -60.7637 -39.1251 -39.1251 -34.6855 -34.6855 -34.6423 -34.6423 -27.7101 -27.7101 -27.4309 -27.4309 -27.4150 -27.4150 9.2603 9.2603 10.2446 10.2446 11.3705 11.3705 11.5126 11.5126 12.3989 12.3989 13.1943 13.1943 14.4969 14.4969 17.6112 17.6112 20.0846 20.0846 27.7551 27.7551 k = 0.4236 0.4236-0.0000 ( 1586 PWs) bands (ev): -70.2858 -70.2858 -60.7638 -60.7638 -39.1248 -39.1248 -34.6850 -34.6850 -34.6422 -34.6422 -27.7100 -27.7100 -27.4307 -27.4307 -27.4150 -27.4150 9.2728 9.2728 10.2318 10.2318 11.3746 11.3746 11.5171 11.5171 12.3314 12.3314 13.0793 13.0793 14.5856 14.5856 17.6921 17.6921 20.1779 20.1779 27.7045 27.7045 k = 0.4167 0.4167-0.0000 ( 1586 PWs) bands (ev): -70.2859 -70.2859 -60.7638 -60.7638 -39.1246 -39.1246 -34.6844 -34.6844 -34.6420 -34.6420 -27.7099 -27.7099 -27.4305 -27.4305 -27.4150 -27.4150 9.2853 9.2853 10.2180 10.2180 11.3789 11.3789 11.5218 11.5218 12.2636 12.2636 12.9630 12.9630 14.6771 14.6771 17.7701 17.7701 20.2815 20.2815 27.6384 27.6384 k = 0.4097 0.4097-0.0000 ( 1586 PWs) bands (ev): -70.2859 -70.2859 -60.7638 -60.7638 -39.1243 -39.1243 -34.6837 -34.6837 -34.6419 -34.6419 -27.7098 -27.7098 -27.4303 -27.4303 -27.4150 -27.4150 9.2975 9.2975 10.2034 10.2034 11.3836 11.3836 11.5267 11.5267 12.1960 12.1960 12.8466 12.8466 14.7711 14.7711 17.8443 17.8443 20.3952 20.3952 27.5563 27.5563 k = 0.4028 0.4028-0.0000 ( 1590 PWs) bands (ev): -70.2860 -70.2860 -60.7639 -60.7639 -39.1240 -39.1240 -34.6830 -34.6830 -34.6417 -34.6417 -27.7097 -27.7097 -27.4301 -27.4301 -27.4150 -27.4150 9.3088 9.3088 10.1881 10.1881 11.3883 11.3883 11.5314 11.5314 12.1289 12.1289 12.7310 12.7310 14.8671 14.8671 17.9144 17.9144 20.5186 20.5186 27.4585 27.4585 k = 0.3958 0.3958-0.0000 ( 1594 PWs) bands (ev): -70.2861 -70.2861 -60.7639 -60.7639 -39.1237 -39.1237 -34.6822 -34.6822 -34.6416 -34.6416 -27.7096 -27.7096 -27.4299 -27.4299 -27.4150 -27.4150 9.3185 9.3185 10.1727 10.1727 11.3932 11.3932 11.5359 11.5359 12.0628 12.0628 12.6173 12.6173 14.9650 14.9650 17.9800 17.9800 20.6510 20.6510 27.3464 27.3464 k = 0.3889 0.3889-0.0000 ( 1582 PWs) bands (ev): -70.2862 -70.2862 -60.7639 -60.7639 -39.1234 -39.1234 -34.6815 -34.6815 -34.6414 -34.6414 -27.7094 -27.7094 -27.4296 -27.4296 -27.4149 -27.4149 9.3262 9.3262 10.1576 10.1576 11.3983 11.3983 11.5400 11.5400 11.9983 11.9983 12.5066 12.5066 15.0647 15.0647 18.0415 18.0415 20.7921 20.7921 27.2220 27.2220 k = 0.3819 0.3819-0.0000 ( 1582 PWs) bands (ev): -70.2863 -70.2863 -60.7640 -60.7640 -39.1230 -39.1230 -34.6806 -34.6806 -34.6412 -34.6412 -27.7093 -27.7093 -27.4294 -27.4294 -27.4148 -27.4148 9.3307 9.3307 10.1430 10.1430 11.4031 11.4031 11.5428 11.5428 11.9361 11.9361 12.3993 12.3993 15.1659 15.1659 18.0988 18.0988 20.9406 20.9406 27.0870 27.0870 k = 0.3750 0.3750-0.0000 ( 1582 PWs) bands (ev): -70.2863 -70.2863 -60.7640 -60.7640 -39.1226 -39.1226 -34.6797 -34.6797 -34.6410 -34.6410 -27.7091 -27.7091 -27.4291 -27.4291 -27.4148 -27.4148 9.3312 9.3312 10.1298 10.1298 11.4074 11.4074 11.5434 11.5434 11.8773 11.8773 12.2965 12.2965 15.2686 15.2686 18.1524 18.1524 21.0958 21.0958 26.9438 26.9438 k = 0.3681 0.3681-0.0000 ( 1588 PWs) bands (ev): -70.2865 -70.2865 -60.7641 -60.7641 -39.1223 -39.1223 -34.6788 -34.6788 -34.6409 -34.6409 -27.7090 -27.7090 -27.4289 -27.4289 -27.4148 -27.4148 9.3265 9.3265 10.1186 10.1186 11.4109 11.4109 11.5405 11.5405 11.8239 11.8239 12.1985 12.1985 15.3726 15.3726 18.2026 18.2026 21.2567 21.2567 26.7945 26.7945 k = 0.3611 0.3611-0.0000 ( 1582 PWs) bands (ev): -70.2865 -70.2865 -60.7641 -60.7641 -39.1219 -39.1219 -34.6779 -34.6779 -34.6407 -34.6407 -27.7088 -27.7088 -27.4285 -27.4285 -27.4147 -27.4147 9.3161 9.3161 10.1102 10.1102 11.4126 11.4126 11.5322 11.5322 11.7786 11.7786 12.1064 12.1064 15.4779 15.4779 18.2501 18.2501 21.4224 21.4224 26.6407 26.6407 k = 0.3542 0.3542-0.0000 ( 1578 PWs) bands (ev): -70.2866 -70.2866 -60.7642 -60.7642 -39.1214 -39.1214 -34.6769 -34.6769 -34.6404 -34.6404 -27.7086 -27.7086 -27.4282 -27.4282 -27.4147 -27.4147 9.2986 9.2986 10.1052 10.1052 11.4109 11.4109 11.5172 11.5172 11.7444 11.7444 12.0206 12.0206 15.5845 15.5845 18.2951 18.2951 21.5918 21.5918 26.4839 26.4839 k = 0.3472 0.3472-0.0000 ( 1578 PWs) bands (ev): -70.2868 -70.2868 -60.7642 -60.7642 -39.1210 -39.1210 -34.6759 -34.6759 -34.6402 -34.6402 -27.7084 -27.7084 -27.4279 -27.4279 -27.4146 -27.4146 9.2736 9.2736 10.1039 10.1039 11.4015 11.4015 11.4976 11.4976 11.7226 11.7226 11.9418 11.9418 15.6923 15.6923 18.3381 18.3381 21.7638 21.7638 26.3249 26.3249 k = 0.3403 0.3403-0.0000 ( 1578 PWs) bands (ev): -70.2869 -70.2869 -60.7643 -60.7643 -39.1206 -39.1206 -34.6748 -34.6748 -34.6400 -34.6400 -27.7083 -27.7083 -27.4275 -27.4275 -27.4146 -27.4146 9.2406 9.2406 10.1065 10.1065 11.3792 11.3792 11.4803 11.4803 11.7116 11.7116 11.8708 11.8708 15.8013 15.8013 18.3796 18.3796 21.9377 21.9377 26.1649 26.1649 k = 0.3333 0.3333-0.0000 ( 1582 PWs) bands (ev): -70.2870 -70.2870 -60.7643 -60.7643 -39.1201 -39.1201 -34.6738 -34.6738 -34.6398 -34.6398 -27.7081 -27.7081 -27.4272 -27.4272 -27.4145 -27.4145 9.1997 9.1997 10.1129 10.1129 11.3429 11.3429 11.4688 11.4688 11.7078 11.7078 11.8088 11.8088 15.9111 15.9111 18.4199 18.4199 22.1122 22.1122 26.0043 26.0043 k = 0.3264 0.3264-0.0000 ( 1580 PWs) bands (ev): -70.2871 -70.2871 -60.7644 -60.7644 -39.1196 -39.1196 -34.6727 -34.6727 -34.6396 -34.6396 -27.7079 -27.7079 -27.4268 -27.4268 -27.4144 -27.4144 9.1511 9.1511 10.1228 10.1228 11.2977 11.2977 11.4600 11.4600 11.7063 11.7063 11.7590 11.7590 16.0223 16.0223 18.4595 18.4595 22.2865 22.2865 25.8442 25.8442 k = 0.3194 0.3194-0.0000 ( 1580 PWs) bands (ev): -70.2872 -70.2872 -60.7644 -60.7644 -39.1192 -39.1192 -34.6715 -34.6715 -34.6393 -34.6393 -27.7077 -27.7077 -27.4265 -27.4265 -27.4144 -27.4144 9.0954 9.0954 10.1354 10.1354 11.2483 11.2483 11.4500 11.4500 11.6942 11.6942 11.7338 11.7338 16.1346 16.1346 18.4987 18.4987 22.4594 22.4594 25.6844 25.6844 k = 0.3125 0.3125-0.0000 ( 1584 PWs) bands (ev): -70.2874 -70.2874 -60.7645 -60.7645 -39.1187 -39.1187 -34.6704 -34.6704 -34.6391 -34.6391 -27.7075 -27.7075 -27.4261 -27.4261 -27.4143 -27.4143 9.0331 9.0331 10.1502 10.1502 11.1972 11.1972 11.4363 11.4363 11.6696 11.6696 11.7347 11.7347 16.2478 16.2478 18.5378 18.5378 22.6298 22.6298 25.5256 25.5256 k = 0.3056 0.3056-0.0000 ( 1574 PWs) bands (ev): -70.2875 -70.2875 -60.7645 -60.7645 -39.1182 -39.1182 -34.6692 -34.6692 -34.6388 -34.6388 -27.7072 -27.7072 -27.4257 -27.4257 -27.4142 -27.4142 8.9652 8.9652 10.1666 10.1666 11.1462 11.1462 11.4186 11.4186 11.6509 11.6509 11.7428 11.7428 16.3622 16.3622 18.5772 18.5772 22.7969 22.7969 25.3682 25.3682 k = 0.2986 0.2986-0.0000 ( 1574 PWs) bands (ev): -70.2876 -70.2876 -60.7646 -60.7646 -39.1177 -39.1177 -34.6680 -34.6680 -34.6386 -34.6386 -27.7070 -27.7070 -27.4253 -27.4253 -27.4141 -27.4141 8.8923 8.8923 10.1835 10.1835 11.0956 11.0956 11.3980 11.3980 11.6405 11.6405 11.7532 11.7532 16.4776 16.4776 18.6170 18.6170 22.9594 22.9594 25.2122 25.2122 k = 0.2917 0.2917-0.0000 ( 1574 PWs) bands (ev): -70.2877 -70.2877 -60.7647 -60.7647 -39.1172 -39.1172 -34.6668 -34.6668 -34.6383 -34.6383 -27.7067 -27.7067 -27.4248 -27.4248 -27.4140 -27.4140 8.8152 8.8152 10.2003 10.2003 11.0458 11.0458 11.3768 11.3768 11.6370 11.6370 11.7650 11.7650 16.5939 16.5939 18.6575 18.6575 23.1163 23.1163 25.0579 25.0579 k = 0.2847 0.2847-0.0000 ( 1566 PWs) bands (ev): -70.2878 -70.2878 -60.7647 -60.7647 -39.1167 -39.1167 -34.6656 -34.6656 -34.6381 -34.6381 -27.7065 -27.7065 -27.4244 -27.4244 -27.4139 -27.4139 8.7346 8.7346 10.2164 10.2164 10.9972 10.9972 11.3573 11.3573 11.6384 11.6384 11.7777 11.7777 16.7112 16.7112 18.6991 18.6991 23.2666 23.2666 24.9059 24.9059 k = 0.2778 0.2778-0.0000 ( 1570 PWs) bands (ev): -70.2880 -70.2880 -60.7648 -60.7648 -39.1161 -39.1161 -34.6644 -34.6644 -34.6378 -34.6378 -27.7063 -27.7063 -27.4239 -27.4239 -27.4139 -27.4139 8.6511 8.6511 10.2310 10.2310 10.9495 10.9495 11.3410 11.3410 11.6430 11.6430 11.7910 11.7910 16.8295 16.8295 18.7417 18.7417 23.4092 23.4092 24.7556 24.7556 k = 0.2708 0.2708-0.0000 ( 1570 PWs) bands (ev): -70.2881 -70.2881 -60.7648 -60.7648 -39.1156 -39.1156 -34.6631 -34.6631 -34.6376 -34.6376 -27.7060 -27.7060 -27.4235 -27.4235 -27.4138 -27.4138 8.5654 8.5654 10.2438 10.2438 10.9028 10.9028 11.3289 11.3289 11.6500 11.6500 11.8049 11.8049 16.9487 16.9487 18.7857 18.7857 23.5432 23.5432 24.6076 24.6076 k = 0.2639 0.2639-0.0000 ( 1570 PWs) bands (ev): -70.2883 -70.2883 -60.7649 -60.7649 -39.1151 -39.1151 -34.6619 -34.6619 -34.6373 -34.6373 -27.7057 -27.7057 -27.4231 -27.4231 -27.4137 -27.4137 8.4781 8.4781 10.2544 10.2544 10.8571 10.8571 11.3216 11.3216 11.6587 11.6587 11.8193 11.8193 17.0688 17.0688 18.8313 18.8313 23.6680 23.6680 24.4621 24.4621 k = 0.2569 0.2569-0.0000 ( 1566 PWs) bands (ev): -70.2884 -70.2884 -60.7649 -60.7649 -39.1146 -39.1146 -34.6607 -34.6607 -34.6371 -34.6371 -27.7055 -27.7055 -27.4226 -27.4226 -27.4136 -27.4136 8.3897 8.3897 10.2625 10.2625 10.8125 10.8125 11.3194 11.3194 11.6687 11.6687 11.8342 11.8342 17.1900 17.1900 18.8786 18.8786 23.7829 23.7829 24.3193 24.3193 k = 0.2500 0.2500-0.0000 ( 1566 PWs) bands (ev): -70.2885 -70.2885 -60.7650 -60.7650 -39.1141 -39.1141 -34.6594 -34.6594 -34.6368 -34.6368 -27.7052 -27.7052 -27.4221 -27.4221 -27.4135 -27.4135 8.3006 8.3006 10.2678 10.2678 10.7688 10.7688 11.3222 11.3222 11.6795 11.6795 11.8493 11.8493 17.3120 17.3120 18.9277 18.9277 23.8870 23.8870 24.1800 24.1800 k = 0.2431 0.2431-0.0000 ( 1566 PWs) bands (ev): -70.2887 -70.2887 -60.7651 -60.7651 -39.1135 -39.1135 -34.6582 -34.6582 -34.6366 -34.6366 -27.7050 -27.7050 -27.4217 -27.4217 -27.4134 -27.4134 8.2113 8.2113 10.2704 10.2704 10.7261 10.7261 11.3298 11.3298 11.6910 11.6910 11.8648 11.8648 17.4349 17.4349 18.9788 18.9788 23.9719 23.9719 24.0527 24.0527 k = 0.2361 0.2361-0.0000 ( 1568 PWs) bands (ev): -70.2888 -70.2888 -60.7651 -60.7651 -39.1130 -39.1130 -34.6569 -34.6569 -34.6363 -34.6363 -27.7047 -27.7047 -27.4212 -27.4212 -27.4133 -27.4133 8.1220 8.1220 10.2704 10.2704 10.6844 10.6844 11.3420 11.3420 11.7031 11.7031 11.8804 11.8804 17.5587 17.5587 19.0321 19.0321 23.8980 23.8980 24.0771 24.0771 k = 0.2292 0.2292-0.0000 ( 1568 PWs) bands (ev): -70.2889 -70.2889 -60.7652 -60.7652 -39.1125 -39.1125 -34.6557 -34.6557 -34.6361 -34.6361 -27.7044 -27.7044 -27.4207 -27.4207 -27.4132 -27.4132 8.0333 8.0333 10.2679 10.2679 10.6437 10.6437 11.3582 11.3582 11.7155 11.7155 11.8963 11.8963 17.6834 17.6834 19.0877 19.0877 23.7685 23.7685 24.1509 24.1509 k = 0.2222 0.2222-0.0000 ( 1568 PWs) bands (ev): -70.2891 -70.2891 -60.7652 -60.7652 -39.1120 -39.1120 -34.6545 -34.6545 -34.6358 -34.6358 -27.7042 -27.7042 -27.4203 -27.4203 -27.4130 -27.4130 7.9453 7.9453 10.2631 10.2631 10.6041 10.6041 11.3780 11.3780 11.7283 11.7283 11.9124 11.9124 17.8089 17.8089 19.1455 19.1455 23.6398 23.6398 24.2179 24.2179 k = 0.2153 0.2153-0.0000 ( 1568 PWs) bands (ev): -70.2892 -70.2892 -60.7653 -60.7653 -39.1115 -39.1115 -34.6533 -34.6533 -34.6356 -34.6356 -27.7039 -27.7039 -27.4198 -27.4198 -27.4129 -27.4129 7.8583 7.8583 10.2564 10.2564 10.5655 10.5655 11.4008 11.4008 11.7413 11.7413 11.9286 11.9286 17.9352 17.9352 19.2059 19.2059 23.5138 23.5138 24.2772 24.2772 k = 0.2083 0.2083-0.0000 ( 1566 PWs) bands (ev): -70.2893 -70.2893 -60.7653 -60.7653 -39.1110 -39.1110 -34.6521 -34.6521 -34.6354 -34.6354 -27.7036 -27.7036 -27.4193 -27.4193 -27.4128 -27.4128 7.7726 7.7726 10.2480 10.2480 10.5281 10.5281 11.4262 11.4262 11.7545 11.7545 11.9449 11.9449 18.0625 18.0625 19.2687 19.2687 23.3906 23.3906 24.3291 24.3291 k = 0.2014 0.2014-0.0000 ( 1564 PWs) bands (ev): -70.2894 -70.2894 -60.7654 -60.7654 -39.1105 -39.1105 -34.6509 -34.6509 -34.6351 -34.6351 -27.7033 -27.7033 -27.4188 -27.4188 -27.4127 -27.4127 7.6884 7.6884 10.2381 10.2381 10.4917 10.4917 11.4537 11.4537 11.7679 11.7679 11.9613 11.9613 18.1903 18.1903 19.3341 19.3341 23.2706 23.2706 24.3743 24.3743 k = 0.1944 0.1944-0.0000 ( 1564 PWs) bands (ev): -70.2896 -70.2896 -60.7655 -60.7655 -39.1100 -39.1100 -34.6497 -34.6497 -34.6349 -34.6349 -27.7031 -27.7031 -27.4184 -27.4184 -27.4126 -27.4126 7.6058 7.6058 10.2271 10.2271 10.4565 10.4565 11.4826 11.4826 11.7812 11.7812 11.9778 11.9778 18.3190 18.3190 19.4021 19.4021 23.1538 23.1538 24.4134 24.4134 k = 0.1875 0.1875-0.0000 ( 1568 PWs) bands (ev): -70.2897 -70.2897 -60.7655 -60.7655 -39.1095 -39.1095 -34.6486 -34.6486 -34.6347 -34.6347 -27.7028 -27.7028 -27.4179 -27.4179 -27.4125 -27.4125 7.5251 7.5251 10.2151 10.2151 10.4223 10.4223 11.5126 11.5126 11.7945 11.7945 11.9942 11.9942 18.4483 18.4483 19.4727 19.4727 23.0403 23.0403 24.4468 24.4468 k = 0.1806 0.1806-0.0000 ( 1564 PWs) bands (ev): -70.2898 -70.2898 -60.7656 -60.7656 -39.1090 -39.1090 -34.6474 -34.6474 -34.6344 -34.6344 -27.7026 -27.7026 -27.4175 -27.4175 -27.4123 -27.4123 7.4464 7.4464 10.2025 10.2025 10.3894 10.3894 11.5433 11.5433 11.8079 11.8079 12.0108 12.0108 18.5784 18.5784 19.5459 19.5459 22.9305 22.9305 24.4752 24.4752 k = 0.1736 0.1736-0.0000 ( 1562 PWs) bands (ev): -70.2899 -70.2899 -60.7656 -60.7656 -39.1085 -39.1085 -34.6463 -34.6463 -34.6342 -34.6342 -27.7023 -27.7023 -27.4170 -27.4170 -27.4122 -27.4122 7.3698 7.3698 10.1894 10.1894 10.3578 10.3578 11.5743 11.5743 11.8211 11.8211 12.0272 12.0272 18.7090 18.7090 19.6217 19.6217 22.8239 22.8239 24.4988 24.4988 k = 0.1667 0.1667-0.0000 ( 1562 PWs) bands (ev): -70.2901 -70.2901 -60.7657 -60.7657 -39.1081 -39.1081 -34.6453 -34.6453 -34.6340 -34.6340 -27.7020 -27.7020 -27.4166 -27.4166 -27.4121 -27.4121 7.2954 7.2954 10.1759 10.1759 10.3272 10.3272 11.6054 11.6054 11.8342 11.8342 12.0436 12.0436 18.8401 18.8401 19.7000 19.7000 22.7208 22.7208 24.5181 24.5181 k = 0.1597 0.1597-0.0000 ( 1566 PWs) bands (ev): -70.2902 -70.2902 -60.7657 -60.7657 -39.1076 -39.1076 -34.6442 -34.6442 -34.6338 -34.6338 -27.7018 -27.7018 -27.4161 -27.4161 -27.4120 -27.4120 7.2235 7.2235 10.1622 10.1622 10.2978 10.2978 11.6361 11.6361 11.8471 11.8471 12.0599 12.0599 18.9717 18.9717 19.7807 19.7807 22.6214 22.6214 24.5332 24.5332 k = 0.1528 0.1528-0.0000 ( 1568 PWs) bands (ev): -70.2903 -70.2903 -60.7658 -60.7658 -39.1072 -39.1072 -34.6432 -34.6432 -34.6336 -34.6336 -27.7016 -27.7016 -27.4157 -27.4157 -27.4119 -27.4119 7.1540 7.1540 10.1483 10.1483 10.2696 10.2696 11.6665 11.6665 11.8598 11.8598 12.0760 12.0760 19.1037 19.1037 19.8639 19.8639 22.5257 22.5257 24.5446 24.5446 k = 0.1458 0.1458-0.0000 ( 1564 PWs) bands (ev): -70.2904 -70.2904 -60.7658 -60.7658 -39.1068 -39.1068 -34.6422 -34.6422 -34.6334 -34.6334 -27.7013 -27.7013 -27.4153 -27.4153 -27.4118 -27.4118 7.0871 7.0871 10.1346 10.1346 10.2427 10.2427 11.6963 11.6963 11.8723 11.8723 12.0921 12.0921 19.2360 19.2360 19.9492 19.9492 22.4338 22.4338 24.5522 24.5522 k = 0.1389 0.1389-0.0000 ( 1564 PWs) bands (ev): -70.2905 -70.2905 -60.7658 -60.7658 -39.1064 -39.1064 -34.6412 -34.6412 -34.6332 -34.6332 -27.7011 -27.7011 -27.4149 -27.4149 -27.4116 -27.4116 7.0229 7.0229 10.1210 10.1210 10.2170 10.2170 11.7252 11.7252 11.8844 11.8844 12.1079 12.1079 19.3684 19.3684 20.0367 20.0367 22.3458 22.3458 24.5562 24.5562 k = 0.1319 0.1319-0.0000 ( 1572 PWs) bands (ev): -70.2906 -70.2906 -60.7659 -60.7659 -39.1060 -39.1060 -34.6403 -34.6403 -34.6330 -34.6330 -27.7009 -27.7009 -27.4145 -27.4145 -27.4116 -27.4116 6.9613 6.9613 10.1075 10.1075 10.1924 10.1924 11.7530 11.7530 11.8961 11.8961 12.1234 12.1234 19.5008 19.5008 20.1260 20.1260 22.2616 22.2616 24.5567 24.5567 k = 0.1250 0.1250-0.0000 ( 1568 PWs) bands (ev): -70.2907 -70.2907 -60.7659 -60.7659 -39.1056 -39.1056 -34.6394 -34.6394 -34.6329 -34.6329 -27.7006 -27.7006 -27.4141 -27.4141 -27.4114 -27.4114 6.9026 6.9026 10.0945 10.0945 10.1693 10.1693 11.7797 11.7797 11.9075 11.9075 12.1387 12.1387 19.6330 19.6330 20.2170 20.2170 22.1816 22.1816 24.5538 24.5538 k = 0.1181 0.1181-0.0000 ( 1574 PWs) bands (ev): -70.2908 -70.2908 -60.7660 -60.7660 -39.1053 -39.1053 -34.6386 -34.6386 -34.6327 -34.6327 -27.7004 -27.7004 -27.4138 -27.4138 -27.4114 -27.4114 6.8467 6.8467 10.0817 10.0817 10.1472 10.1472 11.8052 11.8052 11.9184 11.9184 12.1536 12.1536 19.7647 19.7647 20.3093 20.3093 22.1056 22.1056 24.5476 24.5476 k = 0.1111 0.1111-0.0000 ( 1570 PWs) bands (ev): -70.2909 -70.2909 -60.7660 -60.7660 -39.1050 -39.1050 -34.6378 -34.6378 -34.6325 -34.6325 -27.7002 -27.7002 -27.4134 -27.4134 -27.4113 -27.4113 6.7937 6.7937 10.0695 10.0695 10.1266 10.1266 11.8295 11.8295 11.9289 11.9289 12.1681 12.1681 19.8957 19.8957 20.4028 20.4028 22.0337 22.0337 24.5380 24.5380 k = 0.1042 0.1042-0.0000 ( 1564 PWs) bands (ev): -70.2910 -70.2910 -60.7660 -60.7660 -39.1046 -39.1046 -34.6370 -34.6370 -34.6324 -34.6324 -27.7000 -27.7000 -27.4130 -27.4130 -27.4111 -27.4111 6.7438 6.7438 10.0578 10.0578 10.1073 10.1073 11.8523 11.8523 11.9391 11.9391 12.1823 12.1823 20.0257 20.0257 20.4970 20.4970 21.9666 21.9666 24.5252 24.5252 k = 0.0972 0.0972-0.0000 ( 1562 PWs) bands (ev): -70.2911 -70.2911 -60.7661 -60.7661 -39.1043 -39.1043 -34.6363 -34.6363 -34.6322 -34.6322 -27.6998 -27.6998 -27.4127 -27.4127 -27.4110 -27.4110 6.6968 6.6968 10.0466 10.0466 10.0891 10.0891 11.8737 11.8737 11.9487 11.9487 12.1959 12.1959 20.1542 20.1542 20.5915 20.5915 21.9036 21.9036 24.5092 24.5092 k = 0.0903 0.0903-0.0000 ( 1563 PWs) bands (ev): -70.2911 -70.2911 -60.7661 -60.7661 -39.1040 -39.1040 -34.6356 -34.6356 -34.6321 -34.6321 -27.6996 -27.6996 -27.4124 -27.4124 -27.4109 -27.4109 6.6529 6.6529 10.0360 10.0360 10.0721 10.0721 11.8935 11.8935 11.9577 11.9577 12.2088 12.2088 20.2807 20.2807 20.6859 20.6859 21.8451 21.8451 24.4904 24.4904 k = 0.0833 0.0833-0.0000 ( 1563 PWs) bands (ev): -70.2912 -70.2912 -60.7661 -60.7661 -39.1038 -39.1038 -34.6350 -34.6350 -34.6320 -34.6320 -27.6995 -27.6995 -27.4121 -27.4121 -27.4109 -27.4109 6.6122 6.6122 10.0260 10.0260 10.0564 10.0564 11.9120 11.9120 11.9662 11.9662 12.2212 12.2212 20.4044 20.4044 20.7797 20.7797 21.7912 21.7912 24.4688 24.4688 k = 0.0764 0.0764-0.0000 ( 1571 PWs) bands (ev): -70.2913 -70.2913 -60.7662 -60.7662 -39.1035 -39.1035 -34.6344 -34.6344 -34.6319 -34.6319 -27.6993 -27.6993 -27.4119 -27.4119 -27.4108 -27.4108 6.5745 6.5745 10.0167 10.0167 10.0418 10.0418 11.9288 11.9288 11.9739 11.9739 12.2327 12.2327 20.5242 20.5242 20.8723 20.8723 21.7422 21.7422 24.4447 24.4447 k = 0.0694 0.0694-0.0000 ( 1563 PWs) bands (ev): -70.2913 -70.2913 -60.7662 -60.7662 -39.1033 -39.1033 -34.6339 -34.6339 -34.6318 -34.6318 -27.6992 -27.6992 -27.4116 -27.4116 -27.4107 -27.4107 6.5401 6.5401 10.0081 10.0081 10.0288 10.0288 11.9442 11.9442 11.9813 11.9813 12.2436 12.2436 20.6397 20.6397 20.9634 20.9634 21.6985 21.6985 24.4189 24.4189 k = 0.0625 0.0625-0.0000 ( 1563 PWs) bands (ev): -70.2914 -70.2914 -60.7662 -60.7662 -39.1031 -39.1031 -34.6334 -34.6334 -34.6317 -34.6317 -27.6990 -27.6990 -27.4114 -27.4114 -27.4106 -27.4106 6.5088 6.5088 10.0003 10.0003 10.0168 10.0168 11.9582 11.9582 11.9880 11.9880 12.2536 12.2536 20.7490 20.7490 21.0523 21.0523 21.6601 21.6601 24.3915 24.3915 k = 0.0556 0.0556-0.0000 ( 1565 PWs) bands (ev): -70.2915 -70.2915 -60.7662 -60.7662 -39.1029 -39.1029 -34.6329 -34.6329 -34.6316 -34.6316 -27.6989 -27.6989 -27.4112 -27.4112 -27.4106 -27.4106 6.4808 6.4808 9.9932 9.9932 10.0061 10.0061 11.9706 11.9706 11.9939 11.9939 12.2628 12.2628 20.8504 20.8504 21.1383 21.1383 21.6273 21.6273 24.3634 24.3634 k = 0.0486 0.0486-0.0000 ( 1561 PWs) bands (ev): -70.2915 -70.2915 -60.7662 -60.7662 -39.1027 -39.1027 -34.6325 -34.6325 -34.6315 -34.6315 -27.6988 -27.6988 -27.4109 -27.4109 -27.4105 -27.4105 6.4560 6.4560 9.9869 9.9869 9.9967 9.9967 11.9816 11.9816 11.9993 11.9993 12.2710 12.2710 20.9422 20.9422 21.2211 21.2211 21.6007 21.6007 24.3354 24.3354 k = 0.0417 0.0417-0.0000 ( 1563 PWs) bands (ev): -70.2915 -70.2915 -60.7663 -60.7663 -39.1026 -39.1026 -34.6322 -34.6322 -34.6314 -34.6314 -27.6987 -27.6987 -27.4108 -27.4108 -27.4105 -27.4105 6.4345 6.4345 9.9813 9.9813 9.9885 9.9885 11.9909 11.9909 12.0039 12.0039 12.2782 12.2782 21.0219 21.0219 21.2990 21.2990 21.5807 21.5807 24.3082 24.3082 k = 0.0347 0.0347-0.0000 ( 1563 PWs) bands (ev): -70.2916 -70.2916 -60.7663 -60.7663 -39.1025 -39.1025 -34.6319 -34.6319 -34.6314 -34.6314 -27.6986 -27.6986 -27.4107 -27.4107 -27.4104 -27.4104 6.4162 6.4162 9.9766 9.9766 9.9816 9.9816 11.9989 11.9989 12.0079 12.0079 12.2843 12.2843 21.0880 21.0880 21.3712 21.3712 21.5675 21.5675 24.2828 24.2828 k = 0.0278 0.0278-0.0000 ( 1563 PWs) bands (ev): -70.2916 -70.2916 -60.7663 -60.7663 -39.1024 -39.1024 -34.6317 -34.6317 -34.6313 -34.6313 -27.6986 -27.6986 -27.4106 -27.4106 -27.4104 -27.4104 6.4013 6.4013 9.9728 9.9728 9.9759 9.9759 12.0054 12.0054 12.0111 12.0111 12.2894 12.2894 21.1394 21.1394 21.4354 21.4354 21.5608 21.5608 24.2602 24.2602 k = 0.0208 0.0208-0.0000 ( 1563 PWs) bands (ev): -70.2916 -70.2916 -60.7663 -60.7663 -39.1023 -39.1023 -34.6315 -34.6315 -34.6313 -34.6313 -27.6985 -27.6985 -27.4105 -27.4105 -27.4104 -27.4104 6.3896 6.3896 9.9698 9.9698 9.9715 9.9715 12.0105 12.0105 12.0137 12.0137 12.2934 12.2934 21.1763 21.1763 21.4894 21.4894 21.5595 21.5595 24.2414 24.2414 k = 0.0139 0.0139-0.0000 ( 1563 PWs) bands (ev): -70.2916 -70.2916 -60.7663 -60.7663 -39.1022 -39.1022 -34.6314 -34.6314 -34.6313 -34.6313 -27.6985 -27.6985 -27.4104 -27.4104 -27.4104 -27.4104 6.3813 6.3813 9.9676 9.9676 9.9684 9.9684 12.0141 12.0141 12.0155 12.0155 12.2963 12.2963 21.2003 21.2003 21.5304 21.5304 21.5613 21.5613 24.2272 24.2272 k = 0.0069 0.0069-0.0000 ( 1561 PWs) bands (ev): -70.2916 -70.2916 -60.7663 -60.7663 -39.1022 -39.1022 -34.6313 -34.6313 -34.6313 -34.6313 -27.6984 -27.6984 -27.4104 -27.4104 -27.4103 -27.4103 6.3763 6.3763 9.9663 9.9663 9.9665 9.9665 12.0163 12.0163 12.0166 12.0166 12.2980 12.2980 21.2135 21.2135 21.5561 21.5561 21.5638 21.5638 24.2184 24.2184 k = 0.0000 0.0000 0.0000 ( 1551 PWs) bands (ev): -70.2916 -70.2916 -60.7663 -60.7663 -39.1022 -39.1022 -34.6312 -34.6312 -34.6312 -34.6312 -27.6984 -27.6984 -27.4103 -27.4103 -27.4103 -27.4103 6.3747 6.3747 9.9660 9.9660 9.9660 9.9660 12.0171 12.0171 12.0171 12.0171 12.2987 12.2987 21.2178 21.2178 21.5649 21.5649 21.5649 21.5649 24.2155 24.2155 k = 0.0000 0.0000 0.0000 ( 1551 PWs) bands (ev): -70.2916 -70.2916 -60.7663 -60.7663 -39.1022 -39.1022 -34.6312 -34.6312 -34.6312 -34.6312 -27.6984 -27.6984 -27.4103 -27.4103 -27.4103 -27.4103 6.3747 6.3747 9.9660 9.9660 9.9660 9.9660 12.0171 12.0171 12.0171 12.0171 12.2987 12.2987 21.2178 21.2178 21.5649 21.5649 21.5649 21.5649 24.2155 24.2155 k = 0.0057 0.0057 0.0057 ( 1557 PWs) bands (ev): -70.2916 -70.2916 -60.7663 -60.7663 -39.1022 -39.1022 -34.6313 -34.6313 -34.6313 -34.6313 -27.6984 -27.6984 -27.4103 -27.4103 -27.4103 -27.4103 6.3764 6.3764 9.9665 9.9665 9.9665 9.9665 12.0164 12.0164 12.0165 12.0165 12.2981 12.2981 21.2136 21.2136 21.5585 21.5585 21.5613 21.5613 24.2226 24.2230 k = 0.0114 0.0114 0.0114 ( 1557 PWs) bands (ev): -70.2916 -70.2916 -60.7663 -60.7663 -39.1022 -39.1022 -34.6313 -34.6313 -34.6313 -34.6313 -27.6985 -27.6985 -27.4104 -27.4104 -27.4103 -27.4103 6.3814 6.3814 9.9680 9.9680 9.9681 9.9681 12.0145 12.0145 12.0152 12.0152 12.2963 12.2963 21.2012 21.2012 21.5396 21.5396 21.5508 21.5508 24.2437 24.2437 k = 0.0170 0.0170 0.0170 ( 1563 PWs) bands (ev): -70.2916 -70.2916 -60.7663 -60.7663 -39.1023 -39.1023 -34.6314 -34.6314 -34.6314 -34.6314 -27.6985 -27.6985 -27.4104 -27.4104 -27.4104 -27.4104 6.3897 6.3897 9.9705 9.9705 9.9708 9.9708 12.0113 12.0113 12.0128 12.0128 12.2934 12.2934 21.1805 21.1805 21.5088 21.5088 21.5339 21.5339 24.2784 24.2784 k = 0.0227 0.0227 0.0227 ( 1563 PWs) bands (ev): -70.2916 -70.2916 -60.7663 -60.7663 -39.1024 -39.1024 -34.6315 -34.6315 -34.6315 -34.6315 -27.6986 -27.6986 -27.4105 -27.4105 -27.4105 -27.4105 6.4014 6.4014 9.9741 9.9741 9.9747 9.9747 12.0069 12.0069 12.0096 12.0096 12.2893 12.2893 21.1516 21.1516 21.4671 21.4671 21.5116 21.5116 24.3257 24.3257 k = 0.0284 0.0284 0.0284 ( 1563 PWs) bands (ev): -70.2916 -70.2916 -60.7663 -60.7663 -39.1025 -39.1025 -34.6317 -34.6317 -34.6316 -34.6316 -27.6986 -27.6986 -27.4106 -27.4106 -27.4105 -27.4105 6.4164 6.4164 9.9787 9.9787 9.9796 9.9796 12.0013 12.0013 12.0054 12.0054 12.2841 12.2841 21.1146 21.1146 21.4158 21.4158 21.4848 21.4848 24.3847 24.3847 k = 0.0341 0.0341 0.0341 ( 1563 PWs) bands (ev): -70.2915 -70.2915 -60.7663 -60.7663 -39.1026 -39.1026 -34.6318 -34.6318 -34.6318 -34.6318 -27.6987 -27.6987 -27.4107 -27.4107 -27.4106 -27.4106 6.4347 6.4347 9.9844 9.9844 9.9857 9.9857 11.9945 11.9945 12.0003 12.0003 12.2777 12.2777 21.0700 21.0700 21.3561 21.3561 21.4546 21.4546 24.4543 24.4543 k = 0.0398 0.0398 0.0398 ( 1563 PWs) bands (ev): -70.2915 -70.2915 -60.7662 -60.7662 -39.1027 -39.1027 -34.6320 -34.6320 -34.6320 -34.6320 -27.6988 -27.6988 -27.4108 -27.4108 -27.4107 -27.4107 6.4563 6.4563 9.9910 9.9910 9.9929 9.9929 11.9864 11.9864 11.9943 11.9943 12.2702 12.2702 21.0181 21.0181 21.2894 21.2894 21.4217 21.4217 24.5332 24.5332 k = 0.0455 0.0455 0.0455 ( 1560 PWs) bands (ev): -70.2914 -70.2914 -60.7662 -60.7662 -39.1029 -39.1029 -34.6323 -34.6323 -34.6322 -34.6322 -27.6989 -27.6989 -27.4109 -27.4109 -27.4108 -27.4108 6.4813 6.4813 9.9987 9.9987 10.0011 10.0011 11.9772 11.9772 11.9875 11.9875 12.2616 12.2616 20.9599 20.9599 21.2168 21.2168 21.3868 21.3868 24.6205 24.6205 k = 0.0511 0.0511 0.0511 ( 1566 PWs) bands (ev): -70.2914 -70.2914 -60.7662 -60.7662 -39.1031 -39.1031 -34.6326 -34.6326 -34.6325 -34.6325 -27.6990 -27.6990 -27.4111 -27.4111 -27.4109 -27.4109 6.5094 6.5094 10.0074 10.0074 10.0104 10.0104 11.9667 11.9667 11.9796 11.9796 12.2518 12.2518 20.8960 20.8960 21.1395 21.1395 21.3500 21.3500 24.7148 24.7148 k = 0.0568 0.0568 0.0568 ( 1560 PWs) bands (ev): -70.2913 -70.2913 -60.7662 -60.7662 -39.1033 -39.1033 -34.6329 -34.6329 -34.6328 -34.6328 -27.6991 -27.6991 -27.4113 -27.4113 -27.4110 -27.4110 6.5409 6.5409 10.0171 10.0171 10.0209 10.0209 11.9551 11.9551 11.9709 11.9709 12.2409 12.2409 20.8275 20.8275 21.0585 21.0585 21.3124 21.3124 24.8156 24.8156 k = 0.0625 0.0625 0.0625 ( 1572 PWs) bands (ev): -70.2913 -70.2913 -60.7662 -60.7662 -39.1035 -39.1035 -34.6332 -34.6332 -34.6331 -34.6331 -27.6993 -27.6993 -27.4115 -27.4115 -27.4112 -27.4112 6.5755 6.5755 10.0276 10.0276 10.0323 10.0323 11.9423 11.9423 11.9610 11.9610 12.2288 12.2288 20.7549 20.7549 20.9745 20.9745 21.2734 21.2734 24.9212 24.9212 k = 0.0682 0.0682 0.0682 ( 1566 PWs) bands (ev): -70.2912 -70.2912 -60.7661 -60.7661 -39.1038 -39.1038 -34.6336 -34.6336 -34.6335 -34.6335 -27.6995 -27.6995 -27.4117 -27.4117 -27.4113 -27.4113 6.6134 6.6134 10.0393 10.0393 10.0450 10.0450 11.9284 11.9284 11.9505 11.9505 12.2156 12.2156 20.6795 20.6795 20.8886 20.8886 21.2340 21.2340 25.0318 25.0318 k = 0.0739 0.0739 0.0739 ( 1566 PWs) bands (ev): -70.2911 -70.2911 -60.7661 -60.7661 -39.1041 -39.1041 -34.6340 -34.6340 -34.6339 -34.6339 -27.6996 -27.6996 -27.4119 -27.4119 -27.4114 -27.4114 6.6544 6.6544 10.0519 10.0519 10.0586 10.0586 11.9135 11.9135 11.9390 11.9390 12.2014 12.2014 20.6016 20.6016 20.8010 20.8010 21.1942 21.1942 25.1461 25.1461 k = 0.0795 0.0795 0.0795 ( 1566 PWs) bands (ev): -70.2911 -70.2911 -60.7661 -60.7661 -39.1043 -39.1043 -34.6344 -34.6344 -34.6343 -34.6343 -27.6998 -27.6998 -27.4122 -27.4122 -27.4116 -27.4116 6.6986 6.6986 10.0655 10.0655 10.0734 10.0734 11.8974 11.8974 11.9266 11.9266 12.1861 12.1861 20.5220 20.5220 20.7125 20.7125 21.1540 21.1540 25.2634 25.2634 k = 0.0852 0.0852 0.0852 ( 1560 PWs) bands (ev): -70.2910 -70.2910 -60.7660 -60.7660 -39.1047 -39.1047 -34.6348 -34.6348 -34.6347 -34.6347 -27.7000 -27.7000 -27.4124 -27.4124 -27.4118 -27.4118 6.7459 6.7459 10.0799 10.0799 10.0892 10.0892 11.8806 11.8806 11.9133 11.9133 12.1698 12.1698 20.4412 20.4412 20.6234 20.6234 21.1138 21.1138 25.3830 25.3830 k = 0.0909 0.0909 0.0909 ( 1566 PWs) bands (ev): -70.2909 -70.2909 -60.7660 -60.7660 -39.1050 -39.1050 -34.6353 -34.6353 -34.6352 -34.6352 -27.7002 -27.7002 -27.4127 -27.4127 -27.4120 -27.4120 6.7962 6.7962 10.0953 10.0953 10.1061 10.1061 11.8624 11.8624 11.8991 11.8991 12.1523 12.1523 20.3598 20.3598 20.5342 20.5342 21.0736 21.0736 25.5044 25.5044 k = 0.0966 0.0966 0.0966 ( 1560 PWs) bands (ev): -70.2908 -70.2908 -60.7660 -60.7660 -39.1053 -39.1053 -34.6358 -34.6358 -34.6357 -34.6357 -27.7004 -27.7004 -27.4129 -27.4129 -27.4122 -27.4122 6.8496 6.8496 10.1116 10.1116 10.1241 10.1241 11.8435 11.8435 11.8841 11.8841 12.1339 12.1339 20.2783 20.2783 20.4455 20.4455 21.0338 21.0338 25.6268 25.6268 k = 0.1023 0.1023 0.1023 ( 1560 PWs) bands (ev): -70.2907 -70.2907 -60.7659 -60.7659 -39.1057 -39.1057 -34.6363 -34.6363 -34.6362 -34.6362 -27.7006 -27.7006 -27.4132 -27.4132 -27.4124 -27.4124 6.9060 6.9060 10.1288 10.1288 10.1431 10.1431 11.8237 11.8237 11.8682 11.8682 12.1145 12.1145 20.1968 20.1968 20.3571 20.3571 20.9945 20.9945 25.7495 25.7495 k = 0.1080 0.1080 0.1080 ( 1566 PWs) bands (ev): -70.2906 -70.2906 -60.7659 -60.7659 -39.1061 -39.1061 -34.6369 -34.6369 -34.6367 -34.6367 -27.7009 -27.7009 -27.4135 -27.4135 -27.4126 -27.4126 6.9653 6.9653 10.1466 10.1466 10.1630 10.1630 11.8030 11.8030 11.8515 11.8515 12.0941 12.0941 20.1157 20.1157 20.2695 20.2695 20.9559 20.9559 25.8717 25.8717 k = 0.1136 0.1136 0.1136 ( 1572 PWs) bands (ev): -70.2905 -70.2905 -60.7658 -60.7658 -39.1065 -39.1065 -34.6375 -34.6375 -34.6373 -34.6373 -27.7011 -27.7011 -27.4138 -27.4138 -27.4129 -27.4129 7.0274 7.0274 10.1653 10.1653 10.1839 10.1839 11.7815 11.7815 11.8339 11.8339 12.0728 12.0728 20.0353 20.0353 20.1829 20.1829 20.9181 20.9181 25.9925 25.9925 k = 0.1193 0.1193 0.1193 ( 1566 PWs) bands (ev): -70.2904 -70.2904 -60.7658 -60.7658 -39.1069 -39.1069 -34.6381 -34.6381 -34.6379 -34.6379 -27.7013 -27.7013 -27.4141 -27.4141 -27.4131 -27.4131 7.0924 7.0924 10.1850 10.1850 10.2062 10.2062 11.7594 11.7594 11.8157 11.8157 12.0507 12.0507 19.9558 19.9558 20.0976 20.0976 20.8814 20.8814 26.1113 26.1113 k = 0.1250 0.1250 0.1250 ( 1566 PWs) bands (ev): -70.2903 -70.2903 -60.7657 -60.7657 -39.1074 -39.1074 -34.6387 -34.6387 -34.6385 -34.6385 -27.7016 -27.7016 -27.4144 -27.4144 -27.4134 -27.4134 7.1601 7.1601 10.2053 10.2053 10.2293 10.2293 11.7367 11.7367 11.7967 11.7967 12.0278 12.0278 19.8775 19.8775 20.0136 20.0136 20.8459 20.8459 26.2268 26.2268 k = 0.1307 0.1307 0.1307 ( 1566 PWs) bands (ev): -70.2901 -70.2901 -60.7657 -60.7657 -39.1078 -39.1078 -34.6394 -34.6394 -34.6392 -34.6392 -27.7018 -27.7018 -27.4147 -27.4147 -27.4136 -27.4136 7.2305 7.2305 10.2263 10.2263 10.2534 10.2534 11.7133 11.7133 11.7770 11.7770 12.0043 12.0043 19.8004 19.8004 19.9312 19.9312 20.8116 20.8116 26.3377 26.3377 k = 0.1364 0.1364 0.1364 ( 1569 PWs) bands (ev): -70.2900 -70.2900 -60.7656 -60.7656 -39.1083 -39.1083 -34.6400 -34.6400 -34.6399 -34.6399 -27.7021 -27.7021 -27.4150 -27.4150 -27.4139 -27.4139 7.3034 7.3034 10.2479 10.2479 10.2784 10.2784 11.6896 11.6896 11.7566 11.7566 11.9802 11.9802 19.7248 19.7248 19.8503 19.8503 20.7787 20.7787 26.4424 26.4424 k = 0.1420 0.1420 0.1420 ( 1569 PWs) bands (ev): -70.2899 -70.2899 -60.7656 -60.7656 -39.1088 -39.1088 -34.6407 -34.6407 -34.6406 -34.6406 -27.7024 -27.7024 -27.4153 -27.4153 -27.4142 -27.4142 7.3788 7.3788 10.2701 10.2701 10.3044 10.3044 11.6653 11.6653 11.7357 11.7357 11.9555 11.9555 19.6507 19.6507 19.7712 19.7712 20.7473 20.7473 26.5393 26.5393 k = 0.1477 0.1477 0.1477 ( 1569 PWs) bands (ev): -70.2898 -70.2898 -60.7655 -60.7655 -39.1093 -39.1093 -34.6414 -34.6414 -34.6413 -34.6413 -27.7026 -27.7026 -27.4156 -27.4156 -27.4145 -27.4145 7.4566 7.4566 10.2928 10.2928 10.3314 10.3314 11.6406 11.6406 11.7144 11.7144 11.9305 11.9305 19.5782 19.5782 19.6939 19.6939 20.7175 20.7175 26.6263 26.6263 k = 0.1534 0.1534 0.1534 ( 1569 PWs) bands (ev): -70.2896 -70.2896 -60.7655 -60.7655 -39.1098 -39.1098 -34.6422 -34.6422 -34.6420 -34.6420 -27.7029 -27.7029 -27.4160 -27.4160 -27.4148 -27.4148 7.5367 7.5367 10.3159 10.3159 10.3593 10.3593 11.6155 11.6155 11.6927 11.6927 11.9053 11.9053 19.5074 19.5074 19.6186 19.6186 20.6894 20.6894 26.7013 26.7013 k = 0.1591 0.1591 0.1591 ( 1557 PWs) bands (ev): -70.2895 -70.2895 -60.7654 -60.7654 -39.1103 -39.1103 -34.6429 -34.6429 -34.6428 -34.6428 -27.7032 -27.7032 -27.4163 -27.4163 -27.4150 -27.4150 7.6189 7.6189 10.3396 10.3396 10.3884 10.3884 11.5902 11.5902 11.6709 11.6709 11.8801 11.8801 19.4384 19.4384 19.5452 19.5452 20.6630 20.6630 26.7618 26.7618 k = 0.1648 0.1648 0.1648 ( 1556 PWs) bands (ev): -70.2893 -70.2893 -60.7653 -60.7653 -39.1109 -39.1109 -34.6437 -34.6437 -34.6435 -34.6435 -27.7034 -27.7034 -27.4166 -27.4166 -27.4154 -27.4154 7.7031 7.7031 10.3633 10.3633 10.4181 10.4181 11.5646 11.5646 11.6487 11.6487 11.8551 11.8551 19.3713 19.3713 19.4738 19.4738 20.6383 20.6383 26.8056 26.8056 k = 0.1705 0.1705 0.1705 ( 1556 PWs) bands (ev): -70.2892 -70.2892 -60.7653 -60.7653 -39.1114 -39.1114 -34.6445 -34.6445 -34.6443 -34.6443 -27.7037 -27.7037 -27.4169 -27.4169 -27.4157 -27.4157 7.7892 7.7892 10.3871 10.3871 10.4486 10.4486 11.5387 11.5387 11.6266 11.6266 11.8305 11.8305 19.3060 19.3060 19.4045 19.4045 20.6154 20.6154 26.8307 26.8307 k = 0.1761 0.1761 0.1761 ( 1562 PWs) bands (ev): -70.2890 -70.2890 -60.7652 -60.7652 -39.1120 -39.1120 -34.6453 -34.6453 -34.6452 -34.6452 -27.7041 -27.7041 -27.4173 -27.4173 -27.4160 -27.4160 7.8768 7.8768 10.4107 10.4107 10.4800 10.4800 11.5125 11.5125 11.6046 11.6046 11.8064 11.8064 19.2426 19.2426 19.3372 19.3372 20.5942 20.5942 26.8356 26.8356 k = 0.1818 0.1818 0.1818 ( 1574 PWs) bands (ev): -70.2889 -70.2889 -60.7652 -60.7652 -39.1126 -39.1126 -34.6461 -34.6461 -34.6460 -34.6460 -27.7044 -27.7044 -27.4176 -27.4176 -27.4164 -27.4164 7.9660 7.9660 10.4340 10.4340 10.5119 10.5119 11.4860 11.4860 11.5829 11.5829 11.7835 11.7835 19.1811 19.1811 19.2720 19.2720 20.5749 20.5749 26.8197 26.8197 k = 0.1875 0.1875 0.1875 ( 1574 PWs) bands (ev): -70.2888 -70.2888 -60.7651 -60.7651 -39.1131 -39.1131 -34.6469 -34.6469 -34.6468 -34.6468 -27.7047 -27.7047 -27.4180 -27.4180 -27.4167 -27.4167 8.0563 8.0563 10.4570 10.4570 10.5448 10.5448 11.4593 11.4593 11.5619 11.5619 11.7622 11.7622 19.1216 19.1216 19.2090 19.2090 20.5573 20.5573 26.7835 26.7835 k = 0.1932 0.1932 0.1932 ( 1574 PWs) bands (ev): -70.2886 -70.2886 -60.7650 -60.7650 -39.1137 -39.1137 -34.6477 -34.6477 -34.6477 -34.6477 -27.7050 -27.7050 -27.4183 -27.4183 -27.4171 -27.4171 8.1477 8.1477 10.4793 10.4793 10.5783 10.5783 11.4324 11.4324 11.5418 11.5418 11.7428 11.7428 19.0639 19.0639 19.1481 19.1481 20.5415 20.5415 26.7281 26.7281 k = 0.1989 0.1989 0.1989 ( 1583 PWs) bands (ev): -70.2885 -70.2885 -60.7650 -60.7650 -39.1143 -39.1143 -34.6486 -34.6486 -34.6486 -34.6486 -27.7053 -27.7053 -27.4187 -27.4187 -27.4175 -27.4175 8.2397 8.2397 10.5005 10.5005 10.6123 10.6123 11.4050 11.4050 11.5228 11.5228 11.7257 11.7257 19.0081 19.0081 19.0892 19.0892 20.5273 20.5273 26.6551 26.6551 k = 0.2045 0.2045 0.2045 ( 1574 PWs) bands (ev): -70.2883 -70.2883 -60.7649 -60.7649 -39.1149 -39.1149 -34.6495 -34.6495 -34.6494 -34.6494 -27.7056 -27.7056 -27.4190 -27.4190 -27.4178 -27.4178 8.3321 8.3321 10.5205 10.5205 10.6469 10.6469 11.3776 11.3776 11.5057 11.5057 11.7116 11.7116 18.9544 18.9544 19.0327 19.0327 20.5149 20.5149 26.5670 26.5670 k = 0.2102 0.2102 0.2102 ( 1574 PWs) bands (ev): -70.2881 -70.2881 -60.7648 -60.7648 -39.1156 -39.1156 -34.6504 -34.6504 -34.6503 -34.6503 -27.7059 -27.7059 -27.4193 -27.4193 -27.4181 -27.4181 8.4245 8.4245 10.5389 10.5389 10.6817 10.6817 11.3498 11.3498 11.4902 11.4902 11.7010 11.7010 18.9024 18.9024 18.9781 18.9781 20.5042 20.5042 26.4659 26.4659 k = 0.2159 0.2159 0.2159 ( 1574 PWs) bands (ev): -70.2880 -70.2880 -60.7647 -60.7647 -39.1162 -39.1162 -34.6513 -34.6513 -34.6512 -34.6512 -27.7062 -27.7062 -27.4196 -27.4196 -27.4185 -27.4185 8.5166 8.5166 10.5551 10.5551 10.7165 10.7165 11.3220 11.3220 11.4771 11.4771 11.6942 11.6942 18.8522 18.8522 18.9256 18.9256 20.4951 20.4951 26.3540 26.3540 k = 0.2216 0.2216 0.2216 ( 1574 PWs) bands (ev): -70.2878 -70.2878 -60.7647 -60.7647 -39.1168 -39.1168 -34.6522 -34.6522 -34.6520 -34.6520 -27.7066 -27.7066 -27.4199 -27.4199 -27.4189 -27.4189 8.6078 8.6078 10.5690 10.5690 10.7511 10.7511 11.2946 11.2946 11.4668 11.4668 11.6920 11.6920 18.8038 18.8038 18.8751 18.8751 20.4876 20.4876 26.2333 26.2333 k = 0.2273 0.2273 0.2273 ( 1568 PWs) bands (ev): -70.2876 -70.2876 -60.7646 -60.7646 -39.1174 -39.1174 -34.6531 -34.6531 -34.6529 -34.6529 -27.7068 -27.7068 -27.4202 -27.4202 -27.4192 -27.4192 8.6978 8.6978 10.5800 10.5800 10.7848 10.7848 11.2682 11.2682 11.4597 11.4597 11.6947 11.6947 18.7572 18.7572 18.8266 18.8266 20.4816 20.4816 26.1058 26.1058 k = 0.2330 0.2330 0.2330 ( 1568 PWs) bands (ev): -70.2875 -70.2875 -60.7645 -60.7645 -39.1180 -39.1180 -34.6540 -34.6540 -34.6538 -34.6538 -27.7072 -27.7072 -27.4206 -27.4206 -27.4196 -27.4196 8.7860 8.7860 10.5878 10.5878 10.8167 10.8167 11.2437 11.2437 11.4562 11.4562 11.7029 11.7029 18.7121 18.7121 18.7800 18.7800 20.4770 20.4770 25.9727 25.9727 k = 0.2386 0.2386 0.2386 ( 1571 PWs) bands (ev): -70.2873 -70.2873 -60.7645 -60.7645 -39.1187 -39.1187 -34.6549 -34.6549 -34.6547 -34.6547 -27.7075 -27.7075 -27.4209 -27.4209 -27.4200 -27.4200 8.8719 8.8719 10.5920 10.5920 10.8454 10.8454 11.2226 11.2226 11.4565 11.4565 11.7171 11.7171 18.6687 18.6687 18.7354 18.7354 20.4737 20.4737 25.8353 25.8353 k = 0.2443 0.2443 0.2443 ( 1571 PWs) bands (ev): -70.2871 -70.2871 -60.7644 -60.7644 -39.1193 -39.1193 -34.6558 -34.6558 -34.6556 -34.6556 -27.7078 -27.7078 -27.4212 -27.4212 -27.4203 -27.4203 8.9550 8.9550 10.5926 10.5926 10.8688 10.8688 11.2073 11.2073 11.4611 11.4611 11.7377 11.7377 18.6268 18.6268 18.6926 18.6926 20.4717 20.4717 25.6947 25.6947 k = 0.2500 0.2500 0.2500 ( 1571 PWs) bands (ev): -70.2870 -70.2870 -60.7643 -60.7643 -39.1199 -39.1199 -34.6568 -34.6568 -34.6564 -34.6564 -27.7081 -27.7081 -27.4215 -27.4215 -27.4207 -27.4207 9.0347 9.0347 10.5893 10.5893 10.8840 10.8840 11.2009 11.2009 11.4700 11.4700 11.7652 11.7652 18.5864 18.5864 18.6516 18.6516 20.4710 20.4710 25.5520 25.5520 k = 0.2557 0.2557 0.2557 ( 1571 PWs) bands (ev): -70.2868 -70.2868 -60.7642 -60.7642 -39.1206 -39.1206 -34.6577 -34.6577 -34.6573 -34.6573 -27.7085 -27.7085 -27.4219 -27.4219 -27.4211 -27.4211 9.1104 9.1104 10.5823 10.5823 10.8886 10.8886 11.2058 11.2058 11.4831 11.4831 11.8001 11.8001 18.5475 18.5475 18.6124 18.6124 20.4715 20.4715 25.4077 25.4077 k = 0.2614 0.2614 0.2614 ( 1571 PWs) bands (ev): -70.2866 -70.2866 -60.7642 -60.7642 -39.1212 -39.1212 -34.6586 -34.6586 -34.6582 -34.6582 -27.7088 -27.7088 -27.4222 -27.4222 -27.4215 -27.4215 9.1819 9.1819 10.5718 10.5718 10.8818 10.8818 11.2228 11.2228 11.5003 11.5003 11.8428 11.8428 18.5098 18.5098 18.5749 18.5749 20.4729 20.4729 25.2626 25.2626 k = 0.2670 0.2670 0.2670 ( 1577 PWs) bands (ev): -70.2865 -70.2865 -60.7641 -60.7641 -39.1218 -39.1218 -34.6595 -34.6595 -34.6591 -34.6591 -27.7091 -27.7091 -27.4225 -27.4225 -27.4219 -27.4219 9.2486 9.2486 10.5578 10.5578 10.8653 10.8653 11.2503 11.2503 11.5214 11.5214 11.8936 11.8936 18.4734 18.4734 18.5390 18.5390 20.4754 20.4754 25.1172 25.1172 k = 0.2727 0.2727 0.2727 ( 1577 PWs) bands (ev): -70.2863 -70.2863 -60.7640 -60.7640 -39.1224 -39.1224 -34.6604 -34.6604 -34.6600 -34.6600 -27.7095 -27.7095 -27.4228 -27.4228 -27.4223 -27.4223 9.3102 9.3102 10.5410 10.5410 10.8418 10.8418 11.2858 11.2858 11.5461 11.5461 11.9530 11.9530 18.4382 18.4382 18.5046 18.5046 20.4788 20.4788 24.9720 24.9720 k = 0.2784 0.2784 0.2784 ( 1571 PWs) bands (ev): -70.2861 -70.2861 -60.7639 -60.7639 -39.1231 -39.1231 -34.6613 -34.6613 -34.6608 -34.6608 -27.7098 -27.7098 -27.4231 -27.4231 -27.4226 -27.4226 9.3666 9.3666 10.5215 10.5215 10.8136 10.8136 11.3271 11.3271 11.5743 11.5743 12.0212 12.0212 18.4042 18.4042 18.4718 18.4718 20.4830 20.4830 24.8274 24.8274 k = 0.2841 0.2841 0.2841 ( 1574 PWs) bands (ev): -70.2860 -70.2860 -60.7639 -60.7639 -39.1237 -39.1237 -34.6622 -34.6622 -34.6617 -34.6617 -27.7101 -27.7101 -27.4235 -27.4235 -27.4230 -27.4230 9.4177 9.4177 10.4997 10.4997 10.7821 10.7821 11.3721 11.3721 11.6053 11.6053 12.0983 12.0983 18.3710 18.3710 18.4404 18.4404 20.4878 20.4878 24.6838 24.6838 k = 0.2898 0.2898 0.2898 ( 1574 PWs) bands (ev): -70.2858 -70.2858 -60.7638 -60.7638 -39.1243 -39.1243 -34.6631 -34.6631 -34.6625 -34.6625 -27.7104 -27.7104 -27.4237 -27.4237 -27.4234 -27.4234 9.4638 9.4638 10.4759 10.4759 10.7486 10.7486 11.4199 11.4199 11.6389 11.6389 12.1844 12.1844 18.3388 18.3388 18.4102 18.4102 20.4934 20.4934 24.5414 24.5414 k = 0.2955 0.2955 0.2955 ( 1574 PWs) bands (ev): -70.2857 -70.2857 -60.7637 -60.7637 -39.1249 -39.1249 -34.6639 -34.6639 -34.6634 -34.6634 -27.7107 -27.7107 -27.4241 -27.4241 -27.4237 -27.4237 9.5046 9.5046 10.4506 10.4506 10.7138 10.7138 11.4696 11.4696 11.6748 11.6748 12.2794 12.2794 18.3075 18.3075 18.3814 18.3814 20.4996 20.4996 24.4006 24.4006 k = 0.3011 0.3011 0.3011 ( 1574 PWs) bands (ev): -70.2855 -70.2855 -60.7636 -60.7636 -39.1255 -39.1255 -34.6648 -34.6648 -34.6642 -34.6642 -27.7111 -27.7111 -27.4244 -27.4244 -27.4241 -27.4241 9.5406 9.5406 10.4239 10.4239 10.6782 10.6782 11.5207 11.5207 11.7127 11.7127 12.3831 12.3831 18.2769 18.2769 18.3537 18.3537 20.5063 20.5063 24.2616 24.2616 k = 0.3068 0.3068 0.3068 ( 1568 PWs) bands (ev): -70.2853 -70.2853 -60.7636 -60.7636 -39.1261 -39.1261 -34.6656 -34.6656 -34.6650 -34.6650 -27.7114 -27.7114 -27.4246 -27.4246 -27.4245 -27.4245 9.5723 9.5723 10.3963 10.3963 10.6422 10.6422 11.5727 11.5727 11.7524 11.7524 12.4953 12.4953 18.2471 18.2471 18.3272 18.3272 20.5135 20.5135 24.1246 24.1246 k = 0.3125 0.3125 0.3125 ( 1568 PWs) bands (ev): -70.2852 -70.2852 -60.7635 -60.7635 -39.1266 -39.1266 -34.6664 -34.6664 -34.6659 -34.6659 -27.7117 -27.7117 -27.4249 -27.4249 -27.4248 -27.4248 9.5997 9.5997 10.3678 10.3678 10.6060 10.6060 11.6253 11.6253 11.7935 11.7935 12.6154 12.6154 18.2178 18.2178 18.3018 18.3018 20.5210 20.5210 23.9900 23.9900 k = 0.3182 0.3182 0.3182 ( 1574 PWs) bands (ev): -70.2850 -70.2850 -60.7634 -60.7634 -39.1272 -39.1272 -34.6673 -34.6673 -34.6667 -34.6667 -27.7120 -27.7120 -27.4253 -27.4253 -27.4252 -27.4252 9.6235 9.6235 10.3388 10.3388 10.5698 10.5698 11.6782 11.6782 11.8358 11.8358 12.7430 12.7430 18.1891 18.1891 18.2774 18.2774 20.5286 20.5286 23.8577 23.8577 k = 0.3239 0.3239 0.3239 ( 1568 PWs) bands (ev): -70.2849 -70.2849 -60.7633 -60.7633 -39.1278 -39.1278 -34.6680 -34.6680 -34.6674 -34.6674 -27.7123 -27.7123 -27.4256 -27.4256 -27.4255 -27.4255 9.6441 9.6441 10.3095 10.3095 10.5341 10.5341 11.7317 11.7317 11.8793 11.8793 12.8777 12.8777 18.1609 18.1609 18.2539 18.2539 20.5365 20.5365 23.7281 23.7281 k = 0.3295 0.3295 0.3295 ( 1568 PWs) bands (ev): -70.2847 -70.2847 -60.7633 -60.7633 -39.1283 -39.1283 -34.6688 -34.6688 -34.6682 -34.6682 -27.7126 -27.7126 -27.4259 -27.4259 -27.4259 -27.4259 9.6616 9.6616 10.2799 10.2799 10.4985 10.4985 11.7853 11.7853 11.9236 11.9236 13.0189 13.0189 18.1331 18.1331 18.2313 18.2313 20.5445 20.5445 23.6013 23.6013 k = 0.3352 0.3352 0.3352 ( 1568 PWs) bands (ev): -70.2846 -70.2846 -60.7632 -60.7632 -39.1289 -39.1289 -34.6696 -34.6696 -34.6690 -34.6690 -27.7129 -27.7129 -27.4262 -27.4262 -27.4262 -27.4262 9.6766 9.6766 10.2503 10.2503 10.4635 10.4635 11.8389 11.8389 11.9687 11.9687 13.1662 13.1662 18.1056 18.1056 18.2094 18.2094 20.5525 20.5525 23.4775 23.4775 k = 0.3409 0.3409 0.3409 ( 1574 PWs) bands (ev): -70.2845 -70.2845 -60.7632 -60.7632 -39.1294 -39.1294 -34.6703 -34.6703 -34.6697 -34.6697 -27.7133 -27.7133 -27.4265 -27.4265 -27.4265 -27.4265 9.6894 9.6894 10.2207 10.2207 10.4290 10.4290 11.8925 11.8925 12.0142 12.0142 13.3192 13.3192 18.0784 18.0784 18.1883 18.1883 20.5604 20.5604 23.3569 23.3569 k = 0.3466 0.3466 0.3466 ( 1574 PWs) bands (ev): -70.2843 -70.2843 -60.7631 -60.7631 -39.1299 -39.1299 -34.6710 -34.6710 -34.6704 -34.6704 -27.7136 -27.7136 -27.4269 -27.4269 -27.4268 -27.4268 9.7003 9.7003 10.1914 10.1914 10.3953 10.3953 11.9461 11.9461 12.0602 12.0602 13.4773 13.4773 18.0514 18.0514 18.1678 18.1678 20.5683 20.5683 23.2394 23.2394 k = 0.3523 0.3523 0.3523 ( 1568 PWs) bands (ev): -70.2842 -70.2842 -60.7630 -60.7630 -39.1304 -39.1304 -34.6717 -34.6717 -34.6711 -34.6711 -27.7139 -27.7139 -27.4272 -27.4272 -27.4270 -27.4270 9.7096 9.7096 10.1625 10.1625 10.3623 10.3623 11.9996 11.9996 12.1065 12.1065 13.6401 13.6401 18.0246 18.0246 18.1480 18.1480 20.5760 20.5760 23.1256 23.1256 k = 0.3580 0.3580 0.3580 ( 1568 PWs) bands (ev): -70.2840 -70.2840 -60.7630 -60.7630 -39.1309 -39.1309 -34.6724 -34.6724 -34.6718 -34.6718 -27.7142 -27.7142 -27.4275 -27.4275 -27.4273 -27.4273 9.7175 9.7175 10.1339 10.1339 10.3302 10.3302 12.0528 12.0528 12.1529 12.1529 13.8073 13.8073 17.9981 17.9981 18.1287 18.1287 20.5835 20.5835 23.0152 23.0152 k = 0.3636 0.3636 0.3636 ( 1574 PWs) bands (ev): -70.2839 -70.2839 -60.7629 -60.7629 -39.1313 -39.1313 -34.6730 -34.6730 -34.6725 -34.6725 -27.7145 -27.7145 -27.4278 -27.4278 -27.4277 -27.4277 9.7239 9.7239 10.1059 10.1059 10.2990 10.2990 12.1056 12.1056 12.1991 12.1991 13.9784 13.9784 17.9716 17.9716 18.1100 18.1100 20.5906 20.5906 22.9084 22.9084 k = 0.3693 0.3693 0.3693 ( 1568 PWs) bands (ev): -70.2838 -70.2838 -60.7628 -60.7628 -39.1318 -39.1318 -34.6737 -34.6737 -34.6731 -34.6731 -27.7147 -27.7147 -27.4281 -27.4281 -27.4279 -27.4279 9.7295 9.7295 10.0786 10.0786 10.2690 10.2690 12.1581 12.1581 12.2453 12.2453 14.1530 14.1530 17.9454 17.9454 18.0918 18.0918 20.5975 20.5975 22.8053 22.8053 k = 0.3750 0.3750 0.3750 ( 1568 PWs) bands (ev): -70.2837 -70.2837 -60.7628 -60.7628 -39.1322 -39.1322 -34.6743 -34.6743 -34.6737 -34.6737 -27.7150 -27.7150 -27.4283 -27.4283 -27.4282 -27.4282 9.7342 9.7342 10.0519 10.0519 10.2399 10.2399 12.2099 12.2099 12.2910 12.2910 14.3309 14.3309 17.9193 17.9193 18.0740 18.0740 20.6040 20.6040 22.7061 22.7061 k = 0.3807 0.3807 0.3807 ( 1559 PWs) bands (ev): -70.2835 -70.2835 -60.7627 -60.7627 -39.1326 -39.1326 -34.6748 -34.6748 -34.6743 -34.6743 -27.7152 -27.7152 -27.4286 -27.4286 -27.4284 -27.4284 9.7383 9.7383 10.0260 10.0260 10.2120 10.2120 12.2610 12.2610 12.3363 12.3363 14.5116 14.5116 17.8935 17.8935 18.0567 18.0567 20.6102 20.6102 22.6113 22.6113 k = 0.3864 0.3864 0.3864 ( 1559 PWs) bands (ev): -70.2834 -70.2834 -60.7627 -60.7627 -39.1330 -39.1330 -34.6754 -34.6754 -34.6749 -34.6749 -27.7155 -27.7155 -27.4288 -27.4288 -27.4287 -27.4287 9.7416 9.7416 10.0009 10.0009 10.1853 10.1853 12.3113 12.3113 12.3809 12.3809 14.6947 14.6947 17.8678 17.8678 18.0398 18.0398 20.6160 20.6160 22.5201 22.5201 k = 0.3920 0.3920 0.3920 ( 1556 PWs) bands (ev): -70.2833 -70.2833 -60.7626 -60.7626 -39.1334 -39.1334 -34.6759 -34.6759 -34.6755 -34.6755 -27.7157 -27.7157 -27.4291 -27.4291 -27.4289 -27.4289 9.7443 9.7443 9.9767 9.9767 10.1599 10.1599 12.3607 12.3607 12.4247 12.4247 14.8798 14.8798 17.8425 17.8425 18.0233 18.0233 20.6215 20.6215 22.4330 22.4330 k = 0.3977 0.3977 0.3977 ( 1562 PWs) bands (ev): -70.2832 -70.2832 -60.7626 -60.7626 -39.1338 -39.1338 -34.6764 -34.6764 -34.6760 -34.6760 -27.7160 -27.7160 -27.4294 -27.4294 -27.4292 -27.4292 9.7465 9.7465 9.9534 9.9534 10.1357 10.1357 12.4088 12.4088 12.4674 12.4674 15.0665 15.0665 17.8175 17.8175 18.0072 18.0072 20.6266 20.6266 22.3493 22.3498 k = 0.4034 0.4034 0.4034 ( 1562 PWs) bands (ev): -70.2831 -70.2831 -60.7625 -60.7625 -39.1341 -39.1341 -34.6769 -34.6769 -34.6765 -34.6765 -27.7163 -27.7163 -27.4296 -27.4296 -27.4294 -27.4294 9.7482 9.7482 9.9311 9.9311 10.1130 10.1130 12.4559 12.4559 12.5092 12.5092 15.2544 15.2544 17.7931 17.7931 17.9915 17.9915 20.6314 20.6314 22.2625 22.2625 k = 0.4091 0.4091 0.4091 ( 1562 PWs) bands (ev): -70.2830 -70.2830 -60.7625 -60.7625 -39.1345 -39.1345 -34.6773 -34.6773 -34.6770 -34.6770 -27.7165 -27.7165 -27.4298 -27.4298 -27.4296 -27.4296 9.7494 9.7494 9.9099 9.9099 10.0916 10.0916 12.5015 12.5015 12.5497 12.5497 15.4428 15.4428 17.7693 17.7693 17.9763 17.9763 20.6359 20.6359 22.1806 22.1806 k = 0.4148 0.4148 0.4148 ( 1562 PWs) bands (ev): -70.2830 -70.2830 -60.7625 -60.7625 -39.1348 -39.1348 -34.6777 -34.6777 -34.6774 -34.6774 -27.7167 -27.7167 -27.4300 -27.4300 -27.4299 -27.4299 9.7502 9.7502 9.8897 9.8897 10.0718 10.0718 12.5456 12.5456 12.5888 12.5888 15.6312 15.6312 17.7463 17.7463 17.9616 17.9616 20.6404 20.6404 22.1032 22.1032 k = 0.4205 0.4205 0.4205 ( 1562 PWs) bands (ev): -70.2829 -70.2829 -60.7624 -60.7624 -39.1351 -39.1351 -34.6781 -34.6781 -34.6779 -34.6779 -27.7169 -27.7169 -27.4302 -27.4302 -27.4301 -27.4301 9.7506 9.7506 9.8707 9.8707 10.0534 10.0534 12.5879 12.5879 12.6264 12.6264 15.8189 15.8189 17.7244 17.7244 17.9473 17.9473 20.6449 20.6449 22.0304 22.0304 k = 0.4261 0.4261 0.4261 ( 1565 PWs) bands (ev): -70.2828 -70.2828 -60.7624 -60.7624 -39.1354 -39.1354 -34.6785 -34.6785 -34.6783 -34.6783 -27.7171 -27.7171 -27.4304 -27.4304 -27.4303 -27.4303 9.7506 9.7506 9.8528 9.8528 10.0365 10.0365 12.6283 12.6283 12.6621 12.6621 16.0050 16.0050 17.7038 17.7038 17.9336 17.9336 20.6496 20.6496 21.9623 21.9623 k = 0.4318 0.4318 0.4318 ( 1565 PWs) bands (ev): -70.2827 -70.2827 -60.7624 -60.7624 -39.1356 -39.1356 -34.6788 -34.6788 -34.6786 -34.6786 -27.7173 -27.7173 -27.4306 -27.4306 -27.4305 -27.4305 9.7503 9.7503 9.8362 9.8362 10.0212 10.0212 12.6667 12.6667 12.6960 12.6960 16.1883 16.1883 17.6849 17.6849 17.9206 17.9206 20.6548 20.6548 21.8989 21.8989 k = 0.4375 0.4375 0.4375 ( 1571 PWs) bands (ev): -70.2827 -70.2827 -60.7623 -60.7623 -39.1359 -39.1359 -34.6791 -34.6791 -34.6790 -34.6790 -27.7175 -27.7175 -27.4308 -27.4308 -27.4307 -27.4307 9.7496 9.7496 9.8207 9.8207 10.0074 10.0074 12.7028 12.7028 12.7279 12.7279 16.3677 16.3677 17.6680 17.6680 17.9082 17.9082 20.6608 20.6608 21.8402 21.8402 k = 0.4432 0.4432 0.4432 ( 1571 PWs) bands (ev): -70.2826 -70.2826 -60.7623 -60.7623 -39.1361 -39.1361 -34.6794 -34.6794 -34.6793 -34.6793 -27.7177 -27.7177 -27.4309 -27.4309 -27.4308 -27.4308 9.7486 9.7486 9.8065 9.8065 9.9951 9.9951 12.7365 12.7365 12.7577 12.7577 16.5414 16.5414 17.6540 17.6540 17.8965 17.8965 20.6680 20.6680 21.7866 21.7866 k = 0.4489 0.4489 0.4489 ( 1583 PWs) bands (ev): -70.2826 -70.2826 -60.7623 -60.7623 -39.1363 -39.1363 -34.6797 -34.6797 -34.6796 -34.6796 -27.7179 -27.7179 -27.4311 -27.4311 -27.4311 -27.4311 9.7473 9.7473 9.7935 9.7935 9.9842 9.9842 12.7675 12.7675 12.7849 12.7849 16.7069 16.7069 17.6437 17.6437 17.8857 17.8857 20.6767 20.6767 21.7378 21.7378 k = 0.4545 0.4545 0.4545 ( 1577 PWs) bands (ev): -70.2825 -70.2825 -60.7623 -60.7623 -39.1365 -39.1365 -34.6799 -34.6799 -34.6798 -34.6798 -27.7180 -27.7180 -27.4312 -27.4312 -27.4312 -27.4312 9.7460 9.7460 9.7821 9.7821 9.9750 9.9750 12.7960 12.7960 12.8099 12.8099 16.8618 16.8618 17.6385 17.6385 17.8758 17.8758 20.6875 20.6875 21.6941 21.6941 k = 0.4602 0.4602 0.4602 ( 1577 PWs) bands (ev): -70.2825 -70.2825 -60.7622 -60.7622 -39.1366 -39.1366 -34.6801 -34.6801 -34.6800 -34.6800 -27.7181 -27.7181 -27.4313 -27.4313 -27.4313 -27.4313 9.7445 9.7445 9.7718 9.7718 9.9669 9.9669 12.8214 12.8214 12.8323 12.8323 17.0019 17.0019 17.6405 17.6405 17.8668 17.8668 20.7007 20.7007 21.6555 21.6555 k = 0.4659 0.4659 0.4659 ( 1571 PWs) bands (ev): -70.2824 -70.2824 -60.7622 -60.7622 -39.1368 -39.1368 -34.6803 -34.6803 -34.6802 -34.6802 -27.7181 -27.7181 -27.4314 -27.4314 -27.4313 -27.4313 9.7433 9.7433 9.7628 9.7628 9.9603 9.9603 12.8439 12.8439 12.8520 12.8520 17.1219 17.1219 17.6526 17.6526 17.8589 17.8589 20.7168 20.7168 21.6219 21.6219 k = 0.4716 0.4716 0.4716 ( 1568 PWs) bands (ev): -70.2824 -70.2824 -60.7622 -60.7622 -39.1369 -39.1369 -34.6804 -34.6804 -34.6804 -34.6804 -27.7182 -27.7182 -27.4314 -27.4314 -27.4314 -27.4314 9.7419 9.7419 9.7552 9.7552 9.9548 9.9548 12.8632 12.8632 12.8688 12.8688 17.2166 17.2166 17.6774 17.6774 17.8520 17.8520 20.7360 20.7360 21.5935 21.5935 k = 0.4773 0.4773 0.4773 ( 1568 PWs) bands (ev): -70.2824 -70.2824 -60.7622 -60.7622 -39.1370 -39.1370 -34.6806 -34.6806 -34.6805 -34.6805 -27.7183 -27.7183 -27.4315 -27.4315 -27.4315 -27.4315 9.7405 9.7405 9.7490 9.7490 9.9504 9.9504 12.8791 12.8791 12.8827 12.8827 17.2832 17.2832 17.7147 17.7147 17.8463 17.8463 20.7578 20.7578 21.5702 21.5702 k = 0.4830 0.4830 0.4830 ( 1568 PWs) bands (ev): -70.2824 -70.2824 -60.7622 -60.7622 -39.1370 -39.1370 -34.6807 -34.6807 -34.6806 -34.6806 -27.7183 -27.7183 -27.4315 -27.4315 -27.4315 -27.4315 9.7394 9.7394 9.7442 9.7442 9.9471 9.9471 12.8915 12.8915 12.8936 12.8936 17.3249 17.3249 17.7583 17.7583 17.8418 17.8418 20.7810 20.7810 21.5520 21.5520 k = 0.4886 0.4886 0.4886 ( 1568 PWs) bands (ev): -70.2823 -70.2823 -60.7622 -60.7622 -39.1371 -39.1371 -34.6807 -34.6807 -34.6807 -34.6807 -27.7184 -27.7184 -27.4316 -27.4316 -27.4316 -27.4316 9.7386 9.7386 9.7407 9.7407 9.9448 9.9448 12.9005 12.9005 12.9015 12.9015 17.3484 17.3484 17.7984 17.7984 17.8386 17.8386 20.8030 20.8030 21.5390 21.5390 k = 0.4943 0.4943 0.4943 ( 1568 PWs) bands (ev): -70.2823 -70.2823 -60.7622 -60.7622 -39.1371 -39.1371 -34.6808 -34.6808 -34.6808 -34.6808 -27.7184 -27.7184 -27.4316 -27.4316 -27.4316 -27.4316 9.7381 9.7381 9.7386 9.7386 9.9434 9.9434 12.9059 12.9059 12.9062 12.9062 17.3601 17.3601 17.8261 17.8261 17.8366 17.8366 20.8194 20.8194 21.5312 21.5312 k = 0.5000 0.5000 0.5000 ( 1568 PWs) bands (ev): -70.2823 -70.2823 -60.7622 -60.7622 -39.1371 -39.1371 -34.6808 -34.6808 -34.6808 -34.6808 -27.7184 -27.7184 -27.4316 -27.4316 -27.4316 -27.4316 9.7379 9.7379 9.7379 9.7379 9.9430 9.9430 12.9077 12.9077 12.9077 12.9077 17.3636 17.3636 17.8359 17.8359 17.8359 17.8359 20.8256 20.8256 21.5286 21.5286 k = 0.5000 0.5000 0.5000 ( 1568 PWs) bands (ev): -70.2823 -70.2823 -60.7622 -60.7622 -39.1371 -39.1371 -34.6808 -34.6808 -34.6808 -34.6808 -27.7184 -27.7184 -27.4316 -27.4316 -27.4316 -27.4316 9.7379 9.7379 9.7379 9.7379 9.9430 9.9430 12.9077 12.9077 12.9077 12.9077 17.3636 17.3636 17.8359 17.8359 17.8359 17.8359 20.8256 20.8256 21.5286 21.5286 k = 0.4931 0.5000 0.4931 ( 1568 PWs) bands (ev): -70.2823 -70.2823 -60.7622 -60.7622 -39.1371 -39.1371 -34.6808 -34.6808 -34.6808 -34.6808 -27.7184 -27.7184 -27.4316 -27.4316 -27.4316 -27.4316 9.7380 9.7380 9.7387 9.7387 9.9434 9.9434 12.9052 12.9052 12.9069 12.9069 17.3601 17.3601 17.8267 17.8267 17.8360 17.8360 20.8194 20.8194 21.5317 21.5318 k = 0.4861 0.5000 0.4861 ( 1568 PWs) bands (ev): -70.2823 -70.2823 -60.7622 -60.7622 -39.1371 -39.1371 -34.6808 -34.6808 -34.6807 -34.6807 -27.7184 -27.7184 -27.4316 -27.4316 -27.4316 -27.4316 9.7382 9.7382 9.7410 9.7410 9.9448 9.9448 12.8977 12.8977 12.9043 12.9043 17.3489 17.3489 17.7998 17.7998 17.8368 17.8368 20.8027 20.8027 21.5395 21.5396 k = 0.4792 0.5000 0.4792 ( 1568 PWs) bands (ev): -70.2824 -70.2824 -60.7622 -60.7622 -39.1370 -39.1370 -34.6807 -34.6807 -34.6806 -34.6806 -27.7183 -27.7183 -27.4316 -27.4316 -27.4315 -27.4315 9.7386 9.7386 9.7449 9.7449 9.9471 9.9471 12.8853 12.8853 12.9000 12.9000 17.3278 17.3278 17.7569 17.7569 17.8403 17.8403 20.7798 20.7798 21.5489 21.5489 k = 0.4722 0.5000 0.4722 ( 1568 PWs) bands (ev): -70.2824 -70.2824 -60.7622 -60.7622 -39.1370 -39.1370 -34.6807 -34.6807 -34.6804 -34.6804 -27.7183 -27.7183 -27.4315 -27.4315 -27.4314 -27.4314 9.7391 9.7391 9.7503 9.7503 9.9505 9.9505 12.8682 12.8682 12.8939 12.8939 17.2936 17.2936 17.7006 17.7006 17.8492 17.8492 20.7554 20.7554 21.5573 21.5573 k = 0.4653 0.5000 0.4653 ( 1568 PWs) bands (ev): -70.2824 -70.2824 -60.7622 -60.7622 -39.1369 -39.1369 -34.6807 -34.6807 -34.6802 -34.6802 -27.7182 -27.7182 -27.4315 -27.4315 -27.4313 -27.4313 9.7396 9.7396 9.7571 9.7571 9.9551 9.9551 12.8464 12.8464 12.8859 12.8859 17.2437 17.2437 17.6340 17.6340 17.8660 17.8660 20.7329 20.7329 21.5644 21.5644 k = 0.4583 0.5000 0.4583 ( 1572 PWs) bands (ev): -70.2824 -70.2824 -60.7622 -60.7622 -39.1368 -39.1368 -34.6807 -34.6807 -34.6799 -34.6799 -27.7182 -27.7182 -27.4315 -27.4315 -27.4312 -27.4312 9.7399 9.7399 9.7654 9.7654 9.9608 9.9608 12.8203 12.8203 12.8761 12.8761 17.1767 17.1767 17.5598 17.5598 17.8923 17.8923 20.7148 20.7148 21.5703 21.5703 k = 0.4514 0.5000 0.4514 ( 1574 PWs) bands (ev): -70.2825 -70.2825 -60.7622 -60.7622 -39.1366 -39.1366 -34.6806 -34.6806 -34.6796 -34.6796 -27.7181 -27.7181 -27.4314 -27.4314 -27.4311 -27.4311 9.7402 9.7402 9.7751 9.7751 9.9680 9.9680 12.7901 12.7901 12.8644 12.8644 17.0932 17.0932 17.4798 17.4798 17.9286 17.9286 20.7027 20.7027 21.5757 21.5757 k = 0.4444 0.5000 0.4444 ( 1578 PWs) bands (ev): -70.2825 -70.2825 -60.7623 -60.7623 -39.1365 -39.1365 -34.6806 -34.6806 -34.6792 -34.6792 -27.7180 -27.7180 -27.4314 -27.4314 -27.4309 -27.4309 9.7401 9.7401 9.7861 9.7861 9.9767 9.9767 12.7561 12.7561 12.8508 12.8508 16.9950 16.9950 17.3950 17.3950 17.9746 17.9746 20.6973 20.6973 21.5808 21.5808 k = 0.4375 0.5000 0.4375 ( 1578 PWs) bands (ev): -70.2826 -70.2826 -60.7623 -60.7623 -39.1363 -39.1363 -34.6805 -34.6805 -34.6788 -34.6788 -27.7178 -27.7178 -27.4314 -27.4314 -27.4307 -27.4307 9.7397 9.7397 9.7984 9.7984 9.9871 9.9871 12.7186 12.7186 12.8351 12.8351 16.8852 16.8852 17.3060 17.3060 18.0296 18.0296 20.6992 20.6992 21.5860 21.5860 k = 0.4306 0.5000 0.4306 ( 1578 PWs) bands (ev): -70.2826 -70.2826 -60.7623 -60.7623 -39.1361 -39.1361 -34.6804 -34.6804 -34.6783 -34.6783 -27.7177 -27.7177 -27.4313 -27.4313 -27.4305 -27.4305 9.7389 9.7389 9.8119 9.8119 9.9992 9.9992 12.6780 12.6780 12.8173 12.8173 16.7665 16.7665 17.2129 17.2129 18.0928 18.0928 20.7085 20.7085 21.5913 21.5913 k = 0.4236 0.5000 0.4236 ( 1574 PWs) bands (ev): -70.2827 -70.2827 -60.7623 -60.7623 -39.1359 -39.1359 -34.6804 -34.6804 -34.6778 -34.6778 -27.7175 -27.7175 -27.4312 -27.4312 -27.4303 -27.4303 9.7379 9.7379 9.8266 9.8266 10.0131 10.0131 12.6346 12.6346 12.7972 12.7972 16.6416 16.6416 17.1157 17.1157 18.1636 18.1636 20.7251 20.7251 21.5969 21.5969 k = 0.4167 0.5000 0.4167 ( 1574 PWs) bands (ev): -70.2828 -70.2828 -60.7624 -60.7624 -39.1357 -39.1357 -34.6803 -34.6803 -34.6772 -34.6772 -27.7173 -27.7173 -27.4311 -27.4311 -27.4300 -27.4300 9.7365 9.7365 9.8423 9.8423 10.0289 10.0289 12.5884 12.5884 12.7747 12.7747 16.5127 16.5127 17.0148 17.0148 18.2411 18.2411 20.7487 20.7487 21.6029 21.6029 k = 0.4097 0.5000 0.4097 ( 1574 PWs) bands (ev): -70.2828 -70.2828 -60.7624 -60.7624 -39.1354 -39.1354 -34.6802 -34.6802 -34.6766 -34.6766 -27.7172 -27.7172 -27.4311 -27.4311 -27.4297 -27.4297 9.7347 9.7347 9.8590 9.8590 10.0466 10.0466 12.5400 12.5400 12.7498 12.7498 16.3816 16.3816 16.9104 16.9104 18.3248 18.3248 20.7792 20.7792 21.6093 21.6093 k = 0.4028 0.5000 0.4028 ( 1574 PWs) bands (ev): -70.2829 -70.2829 -60.7624 -60.7624 -39.1351 -39.1351 -34.6801 -34.6801 -34.6760 -34.6760 -27.7170 -27.7170 -27.4310 -27.4310 -27.4294 -27.4294 9.7325 9.7325 9.8767 9.8767 10.0662 10.0662 12.4896 12.4896 12.7222 12.7222 16.2497 16.2497 16.8029 16.8029 18.4141 18.4141 20.8162 20.8162 21.6162 21.6162 k = 0.3958 0.5000 0.3958 ( 1574 PWs) bands (ev): -70.2830 -70.2830 -60.7625 -60.7625 -39.1349 -39.1349 -34.6800 -34.6800 -34.6753 -34.6753 -27.7168 -27.7168 -27.4309 -27.4309 -27.4291 -27.4291 9.7301 9.7301 9.8952 9.8952 10.0876 10.0876 12.4374 12.4374 12.6920 12.6920 16.1185 16.1185 16.6927 16.6927 18.5087 18.5087 20.8595 20.8595 21.6235 21.6235 k = 0.3889 0.5000 0.3889 ( 1574 PWs) bands (ev): -70.2831 -70.2831 -60.7625 -60.7625 -39.1345 -39.1345 -34.6799 -34.6799 -34.6746 -34.6746 -27.7166 -27.7166 -27.4308 -27.4308 -27.4288 -27.4288 9.7274 9.7274 9.9146 9.9146 10.1107 10.1107 12.3838 12.3838 12.6590 12.6590 15.9888 15.9888 16.5802 16.5802 18.6081 18.6081 20.9087 20.9087 21.6313 21.6313 k = 0.3819 0.5000 0.3819 ( 1562 PWs) bands (ev): -70.2831 -70.2831 -60.7625 -60.7625 -39.1342 -39.1342 -34.6797 -34.6797 -34.6738 -34.6738 -27.7163 -27.7163 -27.4306 -27.4306 -27.4284 -27.4284 9.7247 9.7247 9.9349 9.9349 10.1357 10.1357 12.3293 12.3293 12.6231 12.6231 15.8616 15.8616 16.4659 16.4659 18.7119 18.7119 20.9636 20.9636 21.6400 21.6400 k = 0.3750 0.5000 0.3750 ( 1562 PWs) bands (ev): -70.2832 -70.2832 -60.7626 -60.7626 -39.1339 -39.1339 -34.6796 -34.6796 -34.6730 -34.6730 -27.7161 -27.7161 -27.4305 -27.4305 -27.4281 -27.4281 9.7218 9.7218 9.9559 9.9559 10.1621 10.1621 12.2735 12.2735 12.5841 12.5841 15.7374 15.7374 16.3498 16.3498 18.8197 18.8197 21.0238 21.0238 21.6489 21.6489 k = 0.3681 0.5000 0.3681 ( 1562 PWs) bands (ev): -70.2833 -70.2833 -60.7626 -60.7626 -39.1335 -39.1335 -34.6795 -34.6795 -34.6722 -34.6722 -27.7158 -27.7158 -27.4304 -27.4304 -27.4277 -27.4277 9.7189 9.7189 9.9776 9.9776 10.1900 10.1900 12.2169 12.2169 12.5422 12.5422 15.6170 15.6170 16.2324 16.2324 18.9314 18.9314 21.0891 21.0891 21.6584 21.6584 k = 0.3611 0.5000 0.3611 ( 1562 PWs) bands (ev): -70.2834 -70.2834 -60.7627 -60.7627 -39.1332 -39.1332 -34.6793 -34.6793 -34.6713 -34.6713 -27.7156 -27.7156 -27.4303 -27.4303 -27.4273 -27.4273 9.7160 9.7160 10.0000 10.0000 10.2192 10.2192 12.1597 12.1597 12.4972 12.4972 15.5009 15.5009 16.1140 16.1140 19.0465 19.0465 21.1593 21.1593 21.6684 21.6684 k = 0.3542 0.5000 0.3542 ( 1558 PWs) bands (ev): -70.2835 -70.2835 -60.7627 -60.7627 -39.1328 -39.1328 -34.6792 -34.6792 -34.6704 -34.6704 -27.7153 -27.7153 -27.4301 -27.4301 -27.4269 -27.4269 9.7133 9.7133 10.0230 10.0230 10.2494 10.2494 12.1022 12.1022 12.4492 12.4492 15.3897 15.3897 15.9950 15.9950 19.1648 19.1648 21.2340 21.2340 21.6794 21.6794 k = 0.3472 0.5000 0.3472 ( 1558 PWs) bands (ev): -70.2836 -70.2836 -60.7628 -60.7628 -39.1324 -39.1324 -34.6790 -34.6790 -34.6694 -34.6694 -27.7150 -27.7150 -27.4300 -27.4300 -27.4265 -27.4265 9.7107 9.7107 10.0467 10.0467 10.2807 10.2807 12.0443 12.0443 12.3982 12.3982 15.2833 15.2833 15.8753 15.8753 19.2862 19.2862 21.3131 21.3131 21.6908 21.6908 k = 0.3403 0.5000 0.3403 ( 1566 PWs) bands (ev): -70.2837 -70.2837 -60.7628 -60.7628 -39.1320 -39.1320 -34.6789 -34.6789 -34.6684 -34.6684 -27.7148 -27.7148 -27.4299 -27.4299 -27.4261 -27.4261 9.7083 9.7083 10.0710 10.0710 10.3126 10.3126 11.9861 11.9861 12.3445 12.3445 15.1823 15.1823 15.7553 15.7553 19.4102 19.4102 21.3961 21.3961 21.7029 21.7029 k = 0.3333 0.5000 0.3333 ( 1566 PWs) bands (ev): -70.2839 -70.2839 -60.7629 -60.7629 -39.1316 -39.1316 -34.6787 -34.6787 -34.6674 -34.6674 -27.7145 -27.7145 -27.4298 -27.4298 -27.4257 -27.4257 9.7064 9.7064 10.0958 10.0958 10.3451 10.3451 11.9279 11.9279 12.2882 12.2882 15.0867 15.0867 15.6352 15.6352 19.5368 19.5368 21.4829 21.4829 21.7161 21.7161 k = 0.3264 0.5000 0.3264 ( 1566 PWs) bands (ev): -70.2840 -70.2840 -60.7629 -60.7629 -39.1311 -39.1311 -34.6785 -34.6785 -34.6664 -34.6664 -27.7143 -27.7143 -27.4297 -27.4297 -27.4253 -27.4253 9.7049 9.7049 10.1211 10.1211 10.3779 10.3779 11.8697 11.8697 12.2298 12.2298 14.9967 14.9967 15.5152 15.5152 19.6657 19.6657 21.5725 21.5725 21.7310 21.7310 k = 0.3194 0.5000 0.3194 ( 1558 PWs) bands (ev): -70.2841 -70.2841 -60.7630 -60.7630 -39.1307 -39.1307 -34.6783 -34.6783 -34.6653 -34.6653 -27.7140 -27.7140 -27.4296 -27.4296 -27.4248 -27.4248 9.7040 9.7040 10.1469 10.1469 10.4107 10.4107 11.8118 11.8118 12.1699 12.1699 14.9123 14.9123 15.3953 15.3953 19.7968 19.7968 21.6620 21.6620 21.7504 21.7504 k = 0.3125 0.5000 0.3125 ( 1558 PWs) bands (ev): -70.2842 -70.2842 -60.7630 -60.7630 -39.1302 -39.1302 -34.6781 -34.6781 -34.6643 -34.6643 -27.7137 -27.7137 -27.4294 -27.4294 -27.4243 -27.4243 9.7035 9.7035 10.1730 10.1730 10.4430 10.4430 11.7538 11.7538 12.1086 12.1086 14.8334 14.8334 15.2758 15.2758 19.9298 19.9298 21.7311 21.7311 21.7943 21.7943 k = 0.3056 0.5000 0.3056 ( 1558 PWs) bands (ev): -70.2843 -70.2843 -60.7631 -60.7631 -39.1298 -39.1298 -34.6779 -34.6779 -34.6631 -34.6631 -27.7134 -27.7134 -27.4293 -27.4293 -27.4239 -27.4239 9.7037 9.7037 10.1993 10.1993 10.4745 10.4745 11.6959 11.6959 12.0469 12.0469 14.7600 14.7600 15.1566 15.1566 20.0646 20.0646 21.7598 21.7598 21.8826 21.8826 k = 0.2986 0.5000 0.2986 ( 1554 PWs) bands (ev): -70.2844 -70.2844 -60.7631 -60.7631 -39.1293 -39.1293 -34.6777 -34.6777 -34.6620 -34.6620 -27.7131 -27.7131 -27.4292 -27.4292 -27.4234 -27.4234 9.7046 9.7046 10.2257 10.2257 10.5047 10.5047 11.6382 11.6382 11.9855 11.9855 14.6918 14.6918 15.0380 15.0380 20.2010 20.2010 21.7787 21.7787 21.9847 21.9847 k = 0.2917 0.5000 0.2917 ( 1560 PWs) bands (ev): -70.2846 -70.2846 -60.7632 -60.7632 -39.1288 -39.1288 -34.6775 -34.6775 -34.6609 -34.6609 -27.7128 -27.7128 -27.4291 -27.4291 -27.4229 -27.4229 9.7062 9.7062 10.2520 10.2520 10.5331 10.5331 11.5806 11.5806 11.9255 11.9255 14.6285 14.6285 14.9200 14.9200 20.3388 20.3388 21.7963 21.7963 22.0918 22.0918 k = 0.2847 0.5000 0.2847 ( 1560 PWs) bands (ev): -70.2847 -70.2847 -60.7633 -60.7633 -39.1283 -39.1283 -34.6773 -34.6773 -34.6597 -34.6597 -27.7126 -27.7126 -27.4290 -27.4290 -27.4225 -27.4225 9.7085 9.7085 10.2780 10.2780 10.5592 10.5592 11.5232 11.5232 11.8678 11.8678 14.5701 14.5701 14.8029 14.8029 20.4778 20.4778 21.8139 21.8139 22.1979 22.1979 k = 0.2778 0.5000 0.2778 ( 1556 PWs) bands (ev): -70.2848 -70.2848 -60.7633 -60.7633 -39.1278 -39.1278 -34.6771 -34.6771 -34.6585 -34.6585 -27.7123 -27.7123 -27.4289 -27.4289 -27.4220 -27.4220 9.7118 9.7118 10.3035 10.3035 10.5822 10.5822 11.4663 11.4663 11.8136 11.8136 14.5161 14.5161 14.6867 14.6867 20.6180 20.6180 21.8321 21.8321 22.2285 22.2285 k = 0.2708 0.5000 0.2708 ( 1556 PWs) bands (ev): -70.2850 -70.2850 -60.7634 -60.7634 -39.1273 -39.1273 -34.6769 -34.6769 -34.6574 -34.6574 -27.7120 -27.7120 -27.4287 -27.4287 -27.4215 -27.4215 9.7159 9.7159 10.3278 10.3278 10.6015 10.6015 11.4097 11.4097 11.7640 11.7640 14.4658 14.4658 14.5718 14.5718 20.7590 20.7590 21.8508 21.8508 22.2607 22.2607 k = 0.2639 0.5000 0.2639 ( 1556 PWs) bands (ev): -70.2851 -70.2851 -60.7635 -60.7635 -39.1268 -39.1268 -34.6767 -34.6767 -34.6562 -34.6562 -27.7117 -27.7117 -27.4286 -27.4286 -27.4210 -27.4210 9.7209 9.7209 10.3503 10.3503 10.6167 10.6167 11.3540 11.3540 11.7201 11.7201 14.4166 14.4166 14.4608 14.4608 20.9008 20.9008 21.8701 21.8701 22.2952 22.2952 k = 0.2569 0.5000 0.2569 ( 1560 PWs) bands (ev): -70.2853 -70.2853 -60.7635 -60.7635 -39.1263 -39.1263 -34.6764 -34.6764 -34.6550 -34.6550 -27.7115 -27.7115 -27.4286 -27.4286 -27.4206 -27.4206 9.7269 9.7269 10.3700 10.3700 10.6275 10.6275 11.2996 11.2996 11.6830 11.6830 14.3357 14.3357 14.3862 14.3862 21.0431 21.0431 21.8900 21.8900 22.3321 22.3321 k = 0.2500 0.5000 0.2500 ( 1568 PWs) bands (ev): -70.2854 -70.2854 -60.7636 -60.7636 -39.1258 -39.1258 -34.6762 -34.6762 -34.6538 -34.6538 -27.7112 -27.7112 -27.4285 -27.4285 -27.4201 -27.4201 9.7339 9.7339 10.3852 10.3852 10.6344 10.6344 11.2471 11.2471 11.6532 11.6532 14.2260 14.2260 14.3448 14.3448 21.1859 21.1859 21.9108 21.9108 22.3715 22.3715 k = 0.2431 0.5000 0.2431 ( 1560 PWs) bands (ev): -70.2855 -70.2855 -60.7637 -60.7637 -39.1253 -39.1253 -34.6759 -34.6759 -34.6525 -34.6525 -27.7110 -27.7110 -27.4283 -27.4283 -27.4196 -27.4196 9.7421 9.7421 10.3939 10.3939 10.6391 10.6391 11.1972 11.1972 11.6316 11.6316 14.1150 14.1150 14.3090 14.3090 21.3289 21.3289 21.9323 21.9323 22.4136 22.4136 k = 0.2361 0.5000 0.2361 ( 1560 PWs) bands (ev): -70.2857 -70.2857 -60.7637 -60.7637 -39.1248 -39.1248 -34.6757 -34.6757 -34.6513 -34.6513 -27.7107 -27.7107 -27.4282 -27.4282 -27.4192 -27.4192 9.7513 9.7513 10.3930 10.3930 10.6438 10.6438 11.1498 11.1498 11.6181 11.6181 14.0047 14.0047 14.2767 14.2767 21.4719 21.4719 21.9546 21.9546 22.4583 22.4583 k = 0.2292 0.5000 0.2292 ( 1560 PWs) bands (ev): -70.2858 -70.2858 -60.7638 -60.7638 -39.1243 -39.1243 -34.6755 -34.6755 -34.6501 -34.6501 -27.7104 -27.7104 -27.4281 -27.4281 -27.4187 -27.4187 9.7616 9.7616 10.3803 10.3803 10.6509 10.6509 11.1054 11.1054 11.6125 11.6125 13.8954 13.8954 14.2472 14.2472 21.6147 21.6147 21.9778 21.9778 22.5059 22.5059 k = 0.2222 0.5000 0.2222 ( 1560 PWs) bands (ev): -70.2859 -70.2859 -60.7638 -60.7638 -39.1238 -39.1238 -34.6752 -34.6752 -34.6489 -34.6489 -27.7102 -27.7102 -27.4281 -27.4281 -27.4183 -27.4183 9.7731 9.7731 10.3554 10.3554 10.6619 10.6619 11.0640 11.0640 11.6142 11.6142 13.7871 13.7871 14.2203 14.2203 21.7569 21.7569 22.0021 22.0021 22.5564 22.5564 k = 0.2153 0.5000 0.2153 ( 1558 PWs) bands (ev): -70.2861 -70.2861 -60.7639 -60.7639 -39.1233 -39.1233 -34.6750 -34.6750 -34.6477 -34.6477 -27.7100 -27.7100 -27.4280 -27.4280 -27.4178 -27.4178 9.7857 9.7857 10.3194 10.3194 10.6763 10.6763 11.0256 11.0256 11.6226 11.6226 13.6801 13.6801 14.1958 14.1958 21.8974 21.8974 22.0282 22.0282 22.6099 22.6099 k = 0.2083 0.5000 0.2083 ( 1558 PWs) bands (ev): -70.2862 -70.2862 -60.7640 -60.7640 -39.1228 -39.1228 -34.6747 -34.6747 -34.6465 -34.6465 -27.7097 -27.7097 -27.4279 -27.4279 -27.4174 -27.4174 9.7994 9.7994 10.2746 10.2746 10.6927 10.6927 10.9905 10.9905 11.6363 11.6363 13.5744 13.5744 14.1734 14.1734 22.0244 22.0244 22.0678 22.0678 22.6664 22.6664 k = 0.2014 0.5000 0.2014 ( 1560 PWs) bands (ev): -70.2863 -70.2863 -60.7640 -60.7640 -39.1223 -39.1223 -34.6745 -34.6745 -34.6454 -34.6454 -27.7095 -27.7095 -27.4278 -27.4278 -27.4169 -27.4169 9.8142 9.8142 10.2232 10.2232 10.7093 10.7093 10.9593 10.9593 11.6547 11.6547 13.4699 13.4699 14.1530 14.1530 22.0714 22.0714 22.1871 22.1871 22.7261 22.7261 k = 0.1944 0.5000 0.1944 ( 1560 PWs) bands (ev): -70.2864 -70.2864 -60.7641 -60.7641 -39.1219 -39.1219 -34.6742 -34.6742 -34.6442 -34.6442 -27.7093 -27.7093 -27.4278 -27.4278 -27.4165 -27.4165 9.8300 9.8300 10.1676 10.1676 10.7235 10.7235 10.9334 10.9334 11.6766 11.6766 13.3667 13.3667 14.1345 14.1345 22.0999 22.0999 22.3241 22.3241 22.7892 22.7892 k = 0.1875 0.5000 0.1875 ( 1572 PWs) bands (ev): -70.2866 -70.2866 -60.7642 -60.7642 -39.1214 -39.1214 -34.6740 -34.6740 -34.6431 -34.6431 -27.7091 -27.7091 -27.4277 -27.4277 -27.4161 -27.4161 9.8464 9.8464 10.1095 10.1095 10.7322 10.7322 10.9152 10.9152 11.7012 11.7012 13.2648 13.2648 14.1176 14.1176 22.1276 22.1276 22.4608 22.4608 22.8558 22.8558 k = 0.1806 0.5000 0.1806 ( 1568 PWs) bands (ev): -70.2867 -70.2867 -60.7642 -60.7642 -39.1209 -39.1209 -34.6738 -34.6738 -34.6419 -34.6419 -27.7089 -27.7089 -27.4277 -27.4277 -27.4157 -27.4157 9.8628 9.8628 10.0509 10.0509 10.7322 10.7322 10.9077 10.9077 11.7279 11.7279 13.1645 13.1645 14.1023 14.1023 22.1557 22.1557 22.5956 22.5956 22.9262 22.9262 k = 0.1736 0.5000 0.1736 ( 1568 PWs) bands (ev): -70.2868 -70.2868 -60.7643 -60.7643 -39.1205 -39.1205 -34.6735 -34.6735 -34.6408 -34.6408 -27.7087 -27.7087 -27.4276 -27.4276 -27.4153 -27.4153 9.8764 9.8764 9.9958 9.9958 10.7226 10.7226 10.9113 10.9113 11.7560 11.7560 13.0656 13.0656 14.0884 14.0884 22.1844 22.1844 22.7278 22.7278 23.0009 23.0009 k = 0.1667 0.5000 0.1667 ( 1568 PWs) bands (ev): -70.2870 -70.2870 -60.7643 -60.7643 -39.1200 -39.1200 -34.6733 -34.6733 -34.6397 -34.6397 -27.7086 -27.7086 -27.4275 -27.4275 -27.4149 -27.4149 9.8743 9.8743 9.9575 9.9575 10.7054 10.7054 10.9236 10.9236 11.7849 11.7849 12.9682 12.9682 14.0759 14.0759 22.2135 22.2135 22.8561 22.8561 23.0805 23.0805 k = 0.1597 0.5000 0.1597 ( 1568 PWs) bands (ev): -70.2871 -70.2871 -60.7644 -60.7644 -39.1196 -39.1196 -34.6731 -34.6731 -34.6387 -34.6387 -27.7084 -27.7084 -27.4275 -27.4275 -27.4145 -27.4145 9.8373 9.8373 9.9560 9.9560 10.6839 10.6839 10.9412 10.9412 11.8143 11.8143 12.8724 12.8724 14.0646 14.0646 22.2431 22.2431 22.9793 22.9793 23.1661 23.1661 k = 0.1528 0.5000 0.1528 ( 1568 PWs) bands (ev): -70.2872 -70.2872 -60.7644 -60.7644 -39.1191 -39.1191 -34.6728 -34.6728 -34.6377 -34.6377 -27.7082 -27.7082 -27.4274 -27.4274 -27.4142 -27.4142 9.7836 9.7836 9.9734 9.9734 10.6603 10.6603 10.9619 10.9619 11.8436 11.8436 12.7782 12.7782 14.0545 14.0545 22.2732 22.2732 23.0958 23.0958 23.2589 23.2589 k = 0.1458 0.5000 0.1458 ( 1564 PWs) bands (ev): -70.2873 -70.2873 -60.7645 -60.7645 -39.1187 -39.1187 -34.6726 -34.6726 -34.6367 -34.6367 -27.7080 -27.7080 -27.4274 -27.4274 -27.4138 -27.4138 9.7268 9.7268 9.9967 9.9967 10.6360 10.6360 10.9840 10.9840 11.8726 11.8726 12.6858 12.6858 14.0454 14.0454 22.3036 22.3036 23.2046 23.2046 23.3594 23.3594 k = 0.1389 0.5000 0.1389 ( 1564 PWs) bands (ev): -70.2874 -70.2874 -60.7645 -60.7645 -39.1183 -39.1183 -34.6724 -34.6724 -34.6357 -34.6357 -27.7079 -27.7079 -27.4273 -27.4273 -27.4135 -27.4135 9.6701 9.6701 10.0227 10.0227 10.6118 10.6118 11.0067 11.0067 11.9009 11.9009 12.5953 12.5953 14.0372 14.0372 22.3343 22.3343 23.3065 23.3065 23.4663 23.4663 k = 0.1319 0.5000 0.1319 ( 1568 PWs) bands (ev): -70.2875 -70.2875 -60.7646 -60.7646 -39.1179 -39.1179 -34.6722 -34.6722 -34.6348 -34.6348 -27.7078 -27.7078 -27.4273 -27.4273 -27.4132 -27.4132 9.6147 9.6147 10.0505 10.0505 10.5880 10.5880 11.0296 11.0296 11.9281 11.9281 12.5067 12.5067 14.0300 14.0300 22.3650 22.3650 23.4038 23.4038 23.5771 23.5771 k = 0.1250 0.5000 0.1250 ( 1568 PWs) bands (ev): -70.2876 -70.2876 -60.7646 -60.7646 -39.1175 -39.1175 -34.6720 -34.6720 -34.6339 -34.6339 -27.7076 -27.7076 -27.4273 -27.4273 -27.4129 -27.4129 9.5611 9.5611 10.0801 10.0801 10.5650 10.5650 11.0522 11.0522 11.9537 11.9537 12.4206 12.4206 14.0236 14.0236 22.3959 22.3959 23.4985 23.4985 23.6891 23.6891 k = 0.1181 0.5000 0.1181 ( 1568 PWs) bands (ev): -70.2877 -70.2877 -60.7647 -60.7647 -39.1172 -39.1172 -34.6718 -34.6718 -34.6330 -34.6330 -27.7075 -27.7075 -27.4272 -27.4272 -27.4126 -27.4126 9.5095 9.5095 10.1112 10.1112 10.5430 10.5430 11.0742 11.0742 11.9769 11.9769 12.3377 12.3377 14.0179 14.0179 22.4268 22.4268 23.5920 23.5920 23.8004 23.8004 k = 0.1111 0.5000 0.1111 ( 1572 PWs) bands (ev): -70.2878 -70.2878 -60.7647 -60.7647 -39.1169 -39.1169 -34.6716 -34.6716 -34.6322 -34.6322 -27.7074 -27.7074 -27.4272 -27.4272 -27.4123 -27.4123 9.4602 9.4602 10.1435 10.1435 10.5222 10.5222 11.0954 11.0954 11.9961 11.9961 12.2597 12.2597 14.0128 14.0128 22.4574 22.4574 23.6849 23.6849 23.9096 23.9096 k = 0.1042 0.5000 0.1042 ( 1576 PWs) bands (ev): -70.2879 -70.2879 -60.7648 -60.7648 -39.1165 -39.1165 -34.6714 -34.6714 -34.6314 -34.6314 -27.7073 -27.7073 -27.4272 -27.4272 -27.4120 -27.4120 9.4133 9.4133 10.1770 10.1770 10.5025 10.5025 11.1158 11.1158 12.0063 12.0063 12.1912 12.1912 14.0084 14.0084 22.4877 22.4877 23.7774 23.7774 24.0160 24.0160 k = 0.0972 0.5000 0.0972 ( 1576 PWs) bands (ev): -70.2880 -70.2880 -60.7648 -60.7648 -39.1162 -39.1162 -34.6712 -34.6712 -34.6306 -34.6306 -27.7072 -27.7072 -27.4272 -27.4272 -27.4118 -27.4118 9.3690 9.3690 10.2116 10.2116 10.4845 10.4845 11.1352 11.1352 11.9955 11.9955 12.1443 12.1443 14.0047 14.0047 22.5175 22.5175 23.8691 23.8691 24.1190 24.1190 k = 0.0903 0.5000 0.0903 ( 1576 PWs) bands (ev): -70.2880 -70.2880 -60.7648 -60.7648 -39.1159 -39.1159 -34.6711 -34.6711 -34.6299 -34.6299 -27.7071 -27.7071 -27.4272 -27.4272 -27.4116 -27.4116 9.3274 9.3274 10.2468 10.2468 10.4681 10.4681 11.1534 11.1534 11.9529 11.9529 12.1299 12.1299 14.0014 14.0014 22.5467 22.5467 23.9598 23.9598 24.2181 24.2181 k = 0.0833 0.5000 0.0833 ( 1578 PWs) bands (ev): -70.2881 -70.2881 -60.7649 -60.7649 -39.1157 -39.1157 -34.6709 -34.6709 -34.6293 -34.6293 -27.7070 -27.7070 -27.4272 -27.4272 -27.4114 -27.4114 9.2887 9.2887 10.2822 10.2822 10.4540 10.4540 11.1703 11.1703 11.8913 11.8913 12.1353 12.1353 13.9987 13.9987 22.5750 22.5750 24.0488 24.0488 24.3129 24.3129 k = 0.0764 0.5000 0.0764 ( 1570 PWs) bands (ev): -70.2882 -70.2882 -60.7649 -60.7649 -39.1154 -39.1154 -34.6708 -34.6708 -34.6287 -34.6287 -27.7069 -27.7069 -27.4271 -27.4271 -27.4111 -27.4111 9.2529 9.2529 10.3164 10.3164 10.4433 10.4433 11.1858 11.1858 11.8242 11.8242 12.1474 12.1474 13.9964 13.9964 22.6022 22.6022 24.1354 24.1354 24.4031 24.4031 k = 0.0694 0.5000 0.0694 ( 1562 PWs) bands (ev): -70.2882 -70.2882 -60.7649 -60.7649 -39.1152 -39.1152 -34.6706 -34.6706 -34.6281 -34.6281 -27.7068 -27.7068 -27.4271 -27.4271 -27.4109 -27.4109 9.2199 9.2199 10.3464 10.3464 10.4391 10.4391 11.1995 11.1995 11.7567 11.7567 12.1612 12.1612 13.9945 13.9945 22.6281 22.6281 24.2188 24.2188 24.4884 24.4884 k = 0.0625 0.5000 0.0625 ( 1562 PWs) bands (ev): -70.2882 -70.2882 -60.7649 -60.7649 -39.1150 -39.1150 -34.6705 -34.6705 -34.6276 -34.6276 -27.7068 -27.7068 -27.4271 -27.4271 -27.4107 -27.4107 9.1899 9.1899 10.3651 10.3651 10.4480 10.4480 11.2114 11.2114 11.6907 11.6907 12.1748 12.1748 13.9929 13.9929 22.6525 22.6525 24.2980 24.2980 24.5683 24.5683 k = 0.0556 0.5000 0.0556 ( 1562 PWs) bands (ev): -70.2883 -70.2883 -60.7650 -60.7650 -39.1148 -39.1148 -34.6704 -34.6704 -34.6272 -34.6272 -27.7067 -27.7067 -27.4271 -27.4271 -27.4106 -27.4106 9.1630 9.1630 10.3694 10.3694 10.4728 10.4728 11.2210 11.2210 11.6277 11.6277 12.1876 12.1876 13.9915 13.9915 22.6750 22.6750 24.3719 24.3719 24.6425 24.6425 k = 0.0486 0.5000 0.0486 ( 1566 PWs) bands (ev): -70.2883 -70.2883 -60.7650 -60.7650 -39.1146 -39.1146 -34.6703 -34.6703 -34.6268 -34.6268 -27.7067 -27.7067 -27.4271 -27.4271 -27.4105 -27.4105 9.1391 9.1391 10.3661 10.3661 10.5064 10.5064 11.2279 11.2279 11.5688 11.5688 12.1992 12.1992 13.9903 13.9903 22.6956 22.6956 24.4395 24.4395 24.7107 24.7107 k = 0.0417 0.5000 0.0417 ( 1566 PWs) bands (ev): -70.2884 -70.2884 -60.7650 -60.7650 -39.1145 -39.1145 -34.6702 -34.6702 -34.6264 -34.6264 -27.7066 -27.7066 -27.4271 -27.4271 -27.4104 -27.4104 9.1183 9.1183 10.3608 10.3608 10.5429 10.5429 11.2314 11.2314 11.5154 11.5154 12.2094 12.2094 13.9895 13.9895 22.7140 22.7140 24.5001 24.5001 24.7722 24.7722 k = 0.0347 0.5000 0.0347 ( 1562 PWs) bands (ev): -70.2884 -70.2884 -60.7650 -60.7650 -39.1143 -39.1143 -34.6702 -34.6702 -34.6261 -34.6261 -27.7066 -27.7066 -27.4270 -27.4270 -27.4103 -27.4103 9.1009 9.1009 10.3553 10.3553 10.5794 10.5794 11.2308 11.2308 11.4691 11.4691 12.2181 12.2181 13.9888 13.9888 22.7299 22.7299 24.5526 24.5526 24.8264 24.8264 k = 0.0278 0.5000 0.0278 ( 1562 PWs) bands (ev): -70.2884 -70.2884 -60.7650 -60.7650 -39.1142 -39.1142 -34.6701 -34.6701 -34.6259 -34.6259 -27.7065 -27.7065 -27.4270 -27.4270 -27.4102 -27.4102 9.0864 9.0864 10.3504 10.3504 10.6140 10.6140 11.2252 11.2252 11.4319 11.4319 12.2254 12.2254 13.9882 13.9882 22.7433 22.7433 24.5964 24.5964 24.8724 24.8724 k = 0.0208 0.5000 0.0208 ( 1558 PWs) bands (ev): -70.2884 -70.2884 -60.7650 -60.7650 -39.1141 -39.1141 -34.6701 -34.6701 -34.6257 -34.6257 -27.7065 -27.7065 -27.4270 -27.4270 -27.4101 -27.4101 9.0752 9.0752 10.3465 10.3465 10.6449 10.6449 11.2150 11.2150 11.4051 11.4051 12.2311 12.2311 13.9879 13.9879 22.7539 22.7539 24.6309 24.6309 24.9094 24.9094 k = 0.0139 0.5000 0.0139 ( 1542 PWs) bands (ev): -70.2884 -70.2884 -60.7650 -60.7650 -39.1141 -39.1141 -34.6700 -34.6700 -34.6255 -34.6255 -27.7064 -27.7064 -27.4269 -27.4269 -27.4100 -27.4100 9.0672 9.0672 10.3438 10.3438 10.6698 10.6698 11.2030 11.2030 11.3882 11.3882 12.2355 12.2355 13.9877 13.9877 22.7617 22.7617 24.6560 24.6560 24.9367 24.9367 k = 0.0069 0.5000 0.0069 ( 1542 PWs) bands (ev): -70.2884 -70.2884 -60.7650 -60.7650 -39.1140 -39.1140 -34.6700 -34.6700 -34.6254 -34.6254 -27.7064 -27.7064 -27.4269 -27.4269 -27.4099 -27.4099 9.0624 9.0624 10.3420 10.3420 10.6861 10.6861 11.1930 11.1930 11.3792 11.3792 12.2380 12.2380 13.9876 13.9876 22.7664 22.7664 24.6710 24.6710 24.9533 24.9533 k = 0.0000 0.5000-0.0000 ( 1542 PWs) bands (ev): -70.2884 -70.2884 -60.7650 -60.7650 -39.1140 -39.1140 -34.6700 -34.6700 -34.6254 -34.6254 -27.7064 -27.7064 -27.4269 -27.4269 -27.4099 -27.4099 9.0607 9.0607 10.3414 10.3414 10.6919 10.6919 11.1892 11.1892 11.3764 11.3764 12.2388 12.2388 13.9875 13.9875 22.7679 22.7679 24.6760 24.6760 24.9589 24.9589 k = 0.5000 0.5000-0.0000 ( 1596 PWs) bands (ev): -70.2855 -70.2855 -60.7636 -60.7636 -39.1263 -39.1263 -34.6883 -34.6883 -34.6429 -34.6429 -27.7106 -27.7106 -27.4317 -27.4317 -27.4152 -27.4152 9.1892 9.1892 10.3069 10.3069 11.3500 11.3500 11.4891 11.4891 12.8681 12.8681 13.8249 13.8249 14.0255 14.0255 17.0201 17.0201 19.6720 19.6720 27.8597 27.8597 k = 0.5000 0.5000 0.0098 ( 1596 PWs) bands (ev): -70.2855 -70.2855 -60.7636 -60.7636 -39.1263 -39.1263 -34.6883 -34.6883 -34.6429 -34.6429 -27.7106 -27.7106 -27.4317 -27.4317 -27.4152 -27.4152 9.1897 9.1897 10.3086 10.3086 11.3473 11.3473 11.4862 11.4862 12.8681 12.8681 13.8290 13.8290 14.0297 14.0297 17.0204 17.0204 19.6724 19.6724 27.8433 27.8433 k = 0.5000 0.5000 0.0196 ( 1596 PWs) bands (ev): -70.2855 -70.2855 -60.7636 -60.7636 -39.1263 -39.1263 -34.6882 -34.6882 -34.6430 -34.6430 -27.7106 -27.7106 -27.4317 -27.4317 -27.4152 -27.4152 9.1913 9.1913 10.3138 10.3138 11.3391 11.3391 11.4775 11.4775 12.8680 12.8680 13.8411 13.8411 14.0422 14.0422 17.0212 17.0212 19.6737 19.6737 27.7950 27.7950 k = 0.5000 0.5000 0.0294 ( 1596 PWs) bands (ev): -70.2854 -70.2854 -60.7636 -60.7636 -39.1263 -39.1263 -34.6882 -34.6882 -34.6432 -34.6432 -27.7106 -27.7106 -27.4317 -27.4317 -27.4153 -27.4153 9.1940 9.1940 10.3224 10.3224 11.3258 11.3258 11.4632 11.4632 12.8679 12.8679 13.8611 13.8611 14.0629 14.0629 17.0227 17.0227 19.6758 19.6758 27.7183 27.7183 k = 0.5000 0.5000 0.0392 ( 1588 PWs) bands (ev): -70.2854 -70.2854 -60.7636 -60.7636 -39.1264 -39.1264 -34.6882 -34.6882 -34.6434 -34.6434 -27.7106 -27.7106 -27.4317 -27.4317 -27.4154 -27.4154 9.1977 9.1977 10.3347 10.3347 11.3077 11.3077 11.4437 11.4437 12.8678 12.8678 13.8886 13.8886 14.0913 14.0913 17.0250 17.0250 19.6789 19.6789 27.6183 27.6183 k = 0.5000 0.5000 0.0490 ( 1580 PWs) bands (ev): -70.2854 -70.2854 -60.7636 -60.7636 -39.1265 -39.1265 -34.6881 -34.6881 -34.6437 -34.6437 -27.7107 -27.7107 -27.4317 -27.4317 -27.4155 -27.4155 9.2024 9.2024 10.3500 10.3500 11.2852 11.2852 11.4193 11.4193 12.8678 12.8678 13.9234 13.9234 14.1272 14.1272 17.0277 17.0277 19.6828 19.6828 27.4981 27.4981 k = 0.5000 0.5000 0.0588 ( 1580 PWs) bands (ev): -70.2853 -70.2853 -60.7635 -60.7635 -39.1266 -39.1266 -34.6880 -34.6880 -34.6441 -34.6441 -27.7108 -27.7108 -27.4317 -27.4317 -27.4156 -27.4156 9.2081 9.2081 10.3685 10.3685 11.2586 11.2586 11.3903 11.3903 12.8678 12.8678 13.9650 13.9650 14.1700 14.1700 17.0309 17.0309 19.6875 19.6875 27.3626 27.3626 k = 0.5000 0.5000 0.0686 ( 1580 PWs) bands (ev): -70.2853 -70.2853 -60.7635 -60.7635 -39.1267 -39.1267 -34.6879 -34.6879 -34.6446 -34.6446 -27.7108 -27.7108 -27.4317 -27.4317 -27.4158 -27.4158 9.2149 9.2149 10.3900 10.3900 11.2286 11.2286 11.3572 11.3572 12.8678 12.8678 14.0129 14.0129 14.2193 14.2193 17.0347 17.0347 19.6931 19.6931 27.2155 27.2155 k = 0.5000 0.5000 0.0784 ( 1572 PWs) bands (ev): -70.2852 -70.2852 -60.7635 -60.7635 -39.1269 -39.1269 -34.6878 -34.6878 -34.6451 -34.6451 -27.7109 -27.7109 -27.4317 -27.4317 -27.4160 -27.4160 9.2226 9.2226 10.4146 10.4146 11.1958 11.1958 11.3206 11.3206 12.8681 12.8681 14.0667 14.0667 14.2747 14.2747 17.0391 17.0391 19.6996 19.6996 27.0598 27.0598 k = 0.5000 0.5000 0.0882 ( 1572 PWs) bands (ev): -70.2852 -70.2852 -60.7635 -60.7635 -39.1270 -39.1270 -34.6877 -34.6877 -34.6457 -34.6457 -27.7110 -27.7110 -27.4317 -27.4317 -27.4163 -27.4163 9.2313 9.2313 10.4416 10.4416 11.1609 11.1609 11.2809 11.2809 12.8683 12.8683 14.1258 14.1258 14.3354 14.3354 17.0442 17.0442 19.7069 19.7069 26.8978 26.8978 k = 0.5000 0.5000 0.0980 ( 1572 PWs) bands (ev): -70.2851 -70.2851 -60.7635 -60.7635 -39.1272 -39.1272 -34.6876 -34.6876 -34.6464 -34.6464 -27.7112 -27.7112 -27.4317 -27.4317 -27.4166 -27.4166 9.2409 9.2409 10.4708 10.4708 11.1248 11.1248 11.2386 11.2386 12.8686 12.8686 14.1898 14.1898 14.4011 14.4011 17.0498 17.0498 19.7151 19.7151 26.7313 26.7313 k = 0.5000 0.5000 0.1078 ( 1572 PWs) bands (ev): -70.2851 -70.2851 -60.7634 -60.7634 -39.1274 -39.1274 -34.6874 -34.6874 -34.6471 -34.6471 -27.7113 -27.7113 -27.4316 -27.4316 -27.4169 -27.4169 9.2514 9.2514 10.5016 10.5016 11.0884 11.0884 11.1941 11.1941 12.8690 12.8690 14.2583 14.2583 14.4714 14.4714 17.0560 17.0560 19.7242 19.7242 26.5617 26.5617 k = 0.5000 0.5000 0.1176 ( 1576 PWs) bands (ev): -70.2850 -70.2850 -60.7634 -60.7634 -39.1276 -39.1276 -34.6873 -34.6873 -34.6478 -34.6478 -27.7115 -27.7115 -27.4316 -27.4316 -27.4173 -27.4173 9.2627 9.2627 10.5329 10.5329 11.0530 11.0530 11.1478 11.1478 12.8695 12.8695 14.3309 14.3309 14.5458 14.5458 17.0627 17.0627 19.7342 19.7342 26.3902 26.3902 k = 0.5000 0.5000 0.1275 ( 1568 PWs) bands (ev): -70.2849 -70.2849 -60.7634 -60.7634 -39.1279 -39.1279 -34.6871 -34.6871 -34.6486 -34.6486 -27.7116 -27.7116 -27.4316 -27.4316 -27.4176 -27.4176 9.2749 9.2749 10.5636 10.5636 11.0206 11.0206 11.1004 11.1004 12.8701 12.8701 14.4072 14.4072 14.6240 14.6240 17.0702 17.0702 19.7451 19.7451 26.2182 26.2182 k = 0.5000 0.5000 0.1373 ( 1568 PWs) bands (ev): -70.2849 -70.2849 -60.7633 -60.7633 -39.1281 -39.1281 -34.6869 -34.6869 -34.6495 -34.6495 -27.7118 -27.7118 -27.4316 -27.4316 -27.4180 -27.4180 9.2879 9.2879 10.5908 10.5908 10.9935 10.9935 11.0517 11.0517 12.8708 12.8708 14.4867 14.4867 14.7055 14.7055 17.0782 17.0782 19.7569 19.7569 26.0453 26.0453 k = 0.5000 0.5000 0.1471 ( 1576 PWs) bands (ev): -70.2848 -70.2848 -60.7633 -60.7633 -39.1284 -39.1284 -34.6868 -34.6868 -34.6504 -34.6504 -27.7120 -27.7120 -27.4317 -27.4317 -27.4184 -27.4184 9.3015 9.3015 10.6109 10.6109 10.9758 10.9758 11.0022 11.0022 12.8714 12.8714 14.5692 14.5692 14.7899 14.7899 17.0868 17.0868 19.7696 19.7696 25.8724 25.8724 k = 0.5000 0.5000 0.1569 ( 1576 PWs) bands (ev): -70.2847 -70.2847 -60.7633 -60.7633 -39.1286 -39.1286 -34.6866 -34.6866 -34.6514 -34.6514 -27.7122 -27.7122 -27.4317 -27.4317 -27.4188 -27.4188 9.3159 9.3159 10.6200 10.6200 10.9523 10.9523 10.9719 10.9719 12.8723 12.8723 14.6546 14.6546 14.8773 14.8773 17.0961 17.0961 19.7833 19.7833 25.7004 25.7004 k = 0.5000 0.5000 0.1667 ( 1576 PWs) bands (ev): -70.2847 -70.2847 -60.7632 -60.7632 -39.1289 -39.1289 -34.6864 -34.6864 -34.6524 -34.6524 -27.7124 -27.7124 -27.4317 -27.4317 -27.4193 -27.4193 9.3310 9.3310 10.6151 10.6151 10.9022 10.9022 10.9845 10.9845 12.8732 12.8732 14.7424 14.7424 14.9671 14.9671 17.1060 17.1060 19.7979 19.7979 25.5294 25.5294 k = 0.5000 0.5000 0.1765 ( 1572 PWs) bands (ev): -70.2846 -70.2846 -60.7632 -60.7632 -39.1292 -39.1292 -34.6862 -34.6862 -34.6534 -34.6534 -27.7126 -27.7126 -27.4317 -27.4317 -27.4197 -27.4197 9.3467 9.3467 10.5973 10.5973 10.8521 10.8521 11.0130 11.0130 12.8743 12.8743 14.8324 14.8324 15.0592 15.0592 17.1166 17.1166 19.8135 19.8135 25.3601 25.3601 k = 0.5000 0.5000 0.1863 ( 1572 PWs) bands (ev): -70.2845 -70.2845 -60.7632 -60.7632 -39.1295 -39.1295 -34.6860 -34.6860 -34.6545 -34.6545 -27.7128 -27.7128 -27.4317 -27.4317 -27.4201 -27.4201 9.3629 9.3629 10.5697 10.5697 10.8023 10.8023 11.0540 11.0540 12.8754 12.8754 14.9244 14.9244 15.1534 15.1534 17.1278 17.1278 19.8301 19.8301 25.1921 25.1921 k = 0.5000 0.5000 0.1961 ( 1572 PWs) bands (ev): -70.2844 -70.2844 -60.7631 -60.7631 -39.1298 -39.1298 -34.6858 -34.6858 -34.6556 -34.6556 -27.7130 -27.7130 -27.4317 -27.4317 -27.4206 -27.4206 9.3796 9.3796 10.5359 10.5359 10.7528 10.7528 11.1041 11.1041 12.8766 12.8766 15.0182 15.0182 15.2494 15.2494 17.1397 17.1397 19.8477 19.8477 25.0259 25.0259 k = 0.5000 0.5000 0.2059 ( 1564 PWs) bands (ev): -70.2843 -70.2843 -60.7631 -60.7631 -39.1302 -39.1302 -34.6855 -34.6855 -34.6567 -34.6567 -27.7132 -27.7132 -27.4316 -27.4316 -27.4211 -27.4211 9.3970 9.3970 10.4984 10.4984 10.7040 10.7040 11.1610 11.1610 12.8778 12.8778 15.1137 15.1137 15.3470 15.3470 17.1523 17.1523 19.8664 19.8664 24.8618 24.8618 k = 0.5000 0.5000 0.2157 ( 1564 PWs) bands (ev): -70.2842 -70.2842 -60.7630 -60.7630 -39.1305 -39.1305 -34.6853 -34.6853 -34.6578 -34.6578 -27.7135 -27.7135 -27.4316 -27.4316 -27.4216 -27.4216 9.4145 9.4145 10.4587 10.4587 10.6558 10.6558 11.2227 11.2227 12.8791 12.8791 15.2105 15.2105 15.4461 15.4461 17.1655 17.1655 19.8861 19.8861 24.6999 24.6999 k = 0.5000 0.5000 0.2255 ( 1572 PWs) bands (ev): -70.2841 -70.2841 -60.7630 -60.7630 -39.1308 -39.1308 -34.6851 -34.6851 -34.6590 -34.6590 -27.7137 -27.7137 -27.4316 -27.4316 -27.4222 -27.4222 9.4322 9.4322 10.4177 10.4177 10.6083 10.6083 11.2883 11.2883 12.8804 12.8804 15.3085 15.3085 15.5465 15.5465 17.1794 17.1794 19.9067 19.9067 24.5403 24.5403 k = 0.5000 0.5000 0.2353 ( 1572 PWs) bands (ev): -70.2840 -70.2840 -60.7629 -60.7629 -39.1311 -39.1311 -34.6849 -34.6849 -34.6601 -34.6601 -27.7140 -27.7140 -27.4316 -27.4316 -27.4227 -27.4227 9.4502 9.4502 10.3766 10.3766 10.5620 10.5620 11.3571 11.3571 12.8818 12.8818 15.4075 15.4075 15.6480 15.6480 17.1941 17.1941 19.9285 19.9285 24.3833 24.3833 k = 0.5000 0.5000 0.2451 ( 1568 PWs) bands (ev): -70.2839 -70.2839 -60.7629 -60.7629 -39.1315 -39.1315 -34.6846 -34.6846 -34.6613 -34.6613 -27.7142 -27.7142 -27.4316 -27.4316 -27.4232 -27.4232 9.4683 9.4683 10.3355 10.3355 10.5167 10.5167 11.4284 11.4284 12.8831 12.8831 15.5074 15.5074 15.7505 15.7505 17.2095 17.2095 19.9515 19.9515 24.2289 24.2289 k = 0.5000 0.5000 0.2549 ( 1568 PWs) bands (ev): -70.2838 -70.2838 -60.7629 -60.7629 -39.1318 -39.1318 -34.6844 -34.6844 -34.6625 -34.6625 -27.7145 -27.7145 -27.4316 -27.4316 -27.4237 -27.4237 9.4866 9.4866 10.2949 10.2949 10.4726 10.4726 11.5019 11.5019 12.8845 12.8845 15.6080 15.6080 15.8538 15.8538 17.2258 17.2258 19.9755 19.9755 24.0772 24.0772 k = 0.5000 0.5000 0.2647 ( 1576 PWs) bands (ev): -70.2837 -70.2837 -60.7628 -60.7628 -39.1322 -39.1322 -34.6842 -34.6842 -34.6637 -34.6637 -27.7147 -27.7147 -27.4316 -27.4316 -27.4242 -27.4242 9.5048 9.5048 10.2548 10.2548 10.4298 10.4298 11.5767 11.5767 12.8860 12.8860 15.7090 15.7090 15.9577 15.9577 17.2428 17.2428 20.0006 20.0006 23.9281 23.9281 k = 0.5000 0.5000 0.2745 ( 1584 PWs) bands (ev): -70.2837 -70.2837 -60.7628 -60.7628 -39.1325 -39.1325 -34.6840 -34.6840 -34.6648 -34.6648 -27.7150 -27.7150 -27.4317 -27.4317 -27.4248 -27.4248 9.5229 9.5229 10.2157 10.2157 10.3883 10.3883 11.6530 11.6530 12.8871 12.8871 15.8101 15.8101 16.0619 16.0619 17.2606 17.2606 20.0270 20.0270 23.7819 23.7819 k = 0.5000 0.5000 0.2843 ( 1572 PWs) bands (ev): -70.2835 -70.2835 -60.7627 -60.7627 -39.1328 -39.1328 -34.6837 -34.6837 -34.6659 -34.6659 -27.7152 -27.7152 -27.4317 -27.4317 -27.4252 -27.4252 9.5409 9.5409 10.1778 10.1778 10.3485 10.3485 11.7306 11.7306 12.8886 12.8886 15.9115 15.9115 16.1666 16.1666 17.2796 17.2796 20.0546 20.0546 23.6392 23.6392 k = 0.5000 0.5000 0.2941 ( 1572 PWs) bands (ev): -70.2835 -70.2835 -60.7627 -60.7627 -39.1331 -39.1331 -34.6835 -34.6835 -34.6671 -34.6671 -27.7155 -27.7155 -27.4317 -27.4317 -27.4257 -27.4257 9.5586 9.5586 10.1409 10.1409 10.3100 10.3100 11.8086 11.8086 12.8900 12.8900 16.0127 16.0127 16.2714 16.2714 17.2993 17.2993 20.0834 20.0834 23.4991 23.4991 k = 0.5000 0.5000 0.3039 ( 1572 PWs) bands (ev): -70.2834 -70.2834 -60.7626 -60.7626 -39.1335 -39.1335 -34.6833 -34.6833 -34.6682 -34.6682 -27.7157 -27.7157 -27.4317 -27.4317 -27.4262 -27.4262 9.5760 9.5760 10.1052 10.1052 10.2732 10.2732 11.8869 11.8869 12.8914 12.8914 16.1135 16.1135 16.3760 16.3760 17.3199 17.3199 20.1134 20.1134 23.3621 23.3621 k = 0.5000 0.5000 0.3137 ( 1572 PWs) bands (ev): -70.2833 -70.2833 -60.7626 -60.7626 -39.1338 -39.1338 -34.6831 -34.6831 -34.6693 -34.6693 -27.7159 -27.7159 -27.4317 -27.4317 -27.4266 -27.4266 9.5930 9.5930 10.0709 10.0709 10.2380 10.2380 11.9650 11.9650 12.8927 12.8927 16.2135 16.2135 16.4804 16.4804 17.3415 17.3415 20.1447 20.1447 23.2282 23.2283 k = 0.5000 0.5000 0.3235 ( 1572 PWs) bands (ev): -70.2832 -70.2832 -60.7626 -60.7626 -39.1341 -39.1341 -34.6829 -34.6829 -34.6703 -34.6703 -27.7161 -27.7161 -27.4317 -27.4317 -27.4271 -27.4271 9.6094 9.6094 10.0380 10.0380 10.2046 10.2046 12.0427 12.0427 12.8941 12.8941 16.3125 16.3125 16.5841 16.5841 17.3642 17.3642 20.1773 20.1773 23.0975 23.0975 k = 0.5000 0.5000 0.3333 ( 1572 PWs) bands (ev): -70.2831 -70.2831 -60.7625 -60.7625 -39.1344 -39.1344 -34.6827 -34.6827 -34.6714 -34.6714 -27.7164 -27.7164 -27.4317 -27.4317 -27.4275 -27.4275 9.6252 9.6252 10.0066 10.0066 10.1731 10.1731 12.1195 12.1195 12.8954 12.8954 16.4101 16.4101 16.6871 16.6871 17.3880 17.3880 20.2113 20.2113 22.9700 22.9700 k = 0.5000 0.5000 0.3431 ( 1572 PWs) bands (ev): -70.2830 -70.2830 -60.7625 -60.7625 -39.1347 -39.1347 -34.6825 -34.6825 -34.6723 -34.6723 -27.7166 -27.7166 -27.4317 -27.4317 -27.4280 -27.4280 9.6402 9.6402 9.9767 9.9767 10.1434 10.1434 12.1951 12.1951 12.8967 12.8967 16.5059 16.5059 16.7889 16.7889 17.4130 17.4130 20.2465 20.2465 22.8456 22.8456 k = 0.5000 0.5000 0.3529 ( 1572 PWs) bands (ev): -70.2830 -70.2830 -60.7625 -60.7625 -39.1350 -39.1350 -34.6823 -34.6823 -34.6733 -34.6733 -27.7168 -27.7168 -27.4317 -27.4317 -27.4284 -27.4284 9.6544 9.6544 9.9485 9.9485 10.1156 10.1156 12.2691 12.2691 12.8979 12.8979 16.5995 16.5995 16.8892 16.8892 17.4391 17.4391 20.2831 20.2831 22.7243 22.7243 k = 0.5000 0.5000 0.3627 ( 1572 PWs) bands (ev): -70.2829 -70.2829 -60.7624 -60.7624 -39.1352 -39.1352 -34.6821 -34.6821 -34.6742 -34.6742 -27.7170 -27.7170 -27.4317 -27.4317 -27.4288 -27.4288 9.6677 9.6677 9.9219 9.9219 10.0899 10.0899 12.3410 12.3410 12.8991 12.8991 16.6902 16.6902 16.9877 16.9877 17.4666 17.4666 20.3210 20.3210 22.5963 22.5963 k = 0.5000 0.5000 0.3725 ( 1580 PWs) bands (ev): -70.2828 -70.2828 -60.7624 -60.7624 -39.1355 -39.1355 -34.6819 -34.6819 -34.6751 -34.6751 -27.7172 -27.7172 -27.4317 -27.4317 -27.4292 -27.4292 9.6800 9.6800 9.8968 9.8968 10.0662 10.0662 12.4104 12.4104 12.9001 12.9001 16.7775 16.7775 17.0838 17.0838 17.4953 17.4953 20.3602 20.3602 22.4679 22.4679 k = 0.5000 0.5000 0.3824 ( 1580 PWs) bands (ev): -70.2828 -70.2828 -60.7624 -60.7624 -39.1357 -39.1357 -34.6818 -34.6818 -34.6759 -34.6759 -27.7174 -27.7174 -27.4317 -27.4317 -27.4295 -27.4295 9.6911 9.6911 9.8736 9.8736 10.0448 10.0448 12.4769 12.4769 12.9011 12.9011 16.8608 16.8608 17.1773 17.1773 17.5253 17.5253 20.4006 20.4006 22.3450 22.3450 k = 0.5000 0.5000 0.3922 ( 1584 PWs) bands (ev): -70.2827 -70.2827 -60.7623 -60.7623 -39.1359 -39.1359 -34.6816 -34.6816 -34.6766 -34.6766 -27.7176 -27.7176 -27.4317 -27.4317 -27.4299 -27.4299 9.7011 9.7011 9.8520 9.8520 10.0254 10.0254 12.5401 12.5401 12.9020 12.9020 16.9393 16.9393 17.2674 17.2674 17.5566 17.5566 20.4422 20.4422 22.2283 22.2283 k = 0.5000 0.5000 0.4020 ( 1584 PWs) bands (ev): -70.2827 -70.2827 -60.7623 -60.7623 -39.1361 -39.1361 -34.6815 -34.6815 -34.6773 -34.6773 -27.7177 -27.7177 -27.4317 -27.4317 -27.4302 -27.4302 9.7097 9.7097 9.8323 9.8323 10.0084 10.0084 12.5995 12.5995 12.9030 12.9030 17.0125 17.0125 17.3538 17.3538 17.5892 17.5892 20.4847 20.4847 22.1180 22.1180 k = 0.5000 0.5000 0.4118 ( 1576 PWs) bands (ev): -70.2826 -70.2826 -60.7623 -60.7623 -39.1363 -39.1363 -34.6813 -34.6813 -34.6780 -34.6780 -27.7178 -27.7178 -27.4316 -27.4316 -27.4305 -27.4305 9.7172 9.7172 9.8147 9.8147 9.9939 9.9939 12.6545 12.6545 12.9039 12.9039 17.0795 17.0795 17.4355 17.4355 17.6227 17.6227 20.5282 20.5282 22.0152 22.0152 k = 0.5000 0.5000 0.4216 ( 1576 PWs) bands (ev): -70.2825 -70.2825 -60.7623 -60.7623 -39.1365 -39.1365 -34.6812 -34.6812 -34.6786 -34.6786 -27.7180 -27.7180 -27.4316 -27.4316 -27.4307 -27.4307 9.7232 9.7232 9.7986 9.7986 9.9813 9.9813 12.7052 12.7052 12.9047 12.9047 17.1399 17.1399 17.5120 17.5120 17.6567 17.6567 20.5720 20.5720 21.9199 21.9199 k = 0.5000 0.5000 0.4314 ( 1568 PWs) bands (ev): -70.2825 -70.2825 -60.7622 -60.7622 -39.1366 -39.1366 -34.6811 -34.6811 -34.6791 -34.6791 -27.7180 -27.7180 -27.4316 -27.4316 -27.4309 -27.4309 9.7280 9.7280 9.7846 9.7846 9.9710 9.9710 12.7511 12.7511 12.9055 12.9055 17.1932 17.1932 17.5824 17.5824 17.6906 17.6906 20.6159 20.6159 21.8333 21.8333 k = 0.5000 0.5000 0.4412 ( 1568 PWs) bands (ev): -70.2824 -70.2824 -60.7622 -60.7622 -39.1368 -39.1368 -34.6810 -34.6810 -34.6795 -34.6795 -27.7181 -27.7181 -27.4316 -27.4316 -27.4311 -27.4311 9.7315 9.7315 9.7722 9.7722 9.9626 9.9626 12.7916 12.7916 12.9061 12.9061 17.2392 17.2392 17.6459 17.6459 17.7234 17.7234 20.6591 20.6591 21.7559 21.7559 k = 0.5000 0.5000 0.4510 ( 1568 PWs) bands (ev): -70.2824 -70.2824 -60.7622 -60.7622 -39.1369 -39.1369 -34.6810 -34.6810 -34.6799 -34.6799 -27.7182 -27.7182 -27.4316 -27.4316 -27.4312 -27.4312 9.7341 9.7341 9.7618 9.7618 9.9559 9.9559 12.8264 12.8264 12.9066 12.9066 17.2777 17.2777 17.7016 17.7016 17.7542 17.7542 20.7008 20.7008 21.6886 21.6886 k = 0.5000 0.5000 0.4608 ( 1568 PWs) bands (ev): -70.2824 -70.2824 -60.7622 -60.7622 -39.1370 -39.1370 -34.6809 -34.6809 -34.6802 -34.6802 -27.7183 -27.7183 -27.4316 -27.4316 -27.4314 -27.4314 9.7358 9.7358 9.7532 9.7532 9.9509 9.9509 12.8554 12.8554 12.9070 12.9070 17.3090 17.3090 17.7487 17.7487 17.7816 17.7816 20.7398 20.7398 21.6322 21.6322 k = 0.5000 0.5000 0.4706 ( 1568 PWs) bands (ev): -70.2824 -70.2824 -60.7622 -60.7622 -39.1370 -39.1370 -34.6808 -34.6808 -34.6805 -34.6805 -27.7183 -27.7183 -27.4316 -27.4316 -27.4315 -27.4315 9.7369 9.7369 9.7465 9.7465 9.9472 9.9472 12.8781 12.8781 12.9073 12.9073 17.3330 17.3330 17.7863 17.7863 17.8044 17.8044 20.7741 20.7741 21.5874 21.5874 k = 0.5000 0.5000 0.4804 ( 1568 PWs) bands (ev): -70.2823 -70.2823 -60.7622 -60.7622 -39.1371 -39.1371 -34.6808 -34.6808 -34.6806 -34.6806 -27.7184 -27.7184 -27.4316 -27.4316 -27.4315 -27.4315 9.7375 9.7375 9.7417 9.7417 9.9448 9.9448 12.8945 12.8945 12.9076 12.9076 17.3500 17.3500 17.8137 17.8137 17.8216 17.8216 20.8014 20.8014 21.5549 21.5549 k = 0.5000 0.5000 0.4902 ( 1568 PWs) bands (ev): -70.2823 -70.2823 -60.7622 -60.7622 -39.1371 -39.1371 -34.6808 -34.6808 -34.6807 -34.6807 -27.7184 -27.7184 -27.4316 -27.4316 -27.4316 -27.4316 9.7378 9.7378 9.7388 9.7388 9.9434 9.9434 12.9044 12.9044 12.9077 12.9077 17.3602 17.3602 17.8303 17.8303 17.8323 17.8323 20.8193 20.8193 21.5352 21.5352 k = 0.5000 0.5000 0.5000 ( 1568 PWs) bands (ev): -70.2823 -70.2823 -60.7622 -60.7622 -39.1371 -39.1371 -34.6808 -34.6808 -34.6808 -34.6808 -27.7184 -27.7184 -27.4316 -27.4316 -27.4316 -27.4316 9.7379 9.7379 9.7379 9.7379 9.9430 9.9430 12.9077 12.9077 12.9077 12.9077 17.3636 17.3636 17.8359 17.8359 17.8359 17.8359 20.8256 20.8256 21.5286 21.5286 Writing output data file MgPd.save init_run : 0.15s CPU 0.26s WALL ( 1 calls) electrons : 52.34s CPU 53.79s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.02s WALL ( 1 calls) Called by electrons: c_bands : 52.33s CPU 53.78s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.02s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.02s WALL ( 391 calls) cegterg : 48.81s CPU 49.95s WALL ( 418 calls) Called by sum_band: Called by *egterg: h_psi : 18.48s CPU 19.05s WALL ( 6395 calls) s_psi : 0.64s CPU 0.67s WALL ( 6395 calls) g_psi : 0.07s CPU 0.05s WALL ( 5586 calls) cdiaghg : 28.82s CPU 29.52s WALL ( 5977 calls) cegterg:over : 1.48s CPU 1.48s WALL ( 5586 calls) cegterg:upda : 0.97s CPU 1.04s WALL ( 5586 calls) cegterg:last : 0.48s CPU 0.45s WALL ( 849 calls) cdiaghg:chol : 1.44s CPU 1.44s WALL ( 5977 calls) cdiaghg:inve : 0.84s CPU 0.92s WALL ( 5977 calls) cdiaghg:para : 1.47s CPU 1.62s WALL ( 11954 calls) Called by h_psi: h_psi:vloc : 17.05s CPU 17.52s WALL ( 6395 calls) h_psi:vnl : 1.41s CPU 1.50s WALL ( 6395 calls) add_vuspsi : 0.76s CPU 0.80s WALL ( 6395 calls) General routines calbec : 0.64s CPU 0.68s WALL ( 6395 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 15.64s CPU 16.16s WALL ( 444268 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.08s CPU 0.09s WALL ( 782 calls) Parallel routines fft_scatter : 8.10s CPU 8.43s WALL ( 444291 calls) PWSCF : 1m 1.52s CPU 1m12.32s WALL This run was terminated on: 20:45:38 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=