Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 18:19:57 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: ./GaAg.save/ file Ga.rel-pbe-dnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D 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 18 14 4 372 248 44 Max 19 15 5 377 255 47 Sum 681 517 177 13517 9045 1647 bravais-lattice index = 14 lattice parameter (alat) = 5.9923 a.u. unit-cell volume = 215.1717 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 24.00 number of Kohn-Sham states= 32 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 240.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.992321 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 Ga read from file: /users/gautes/Pseudo/Ga.rel-pbe-dnl-rrkjus_psl.1.0.0.UPF MD5 check sum: a45069c11dc40ba088a6a50723da268c Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1205 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ag read from file: /users/gautes/Pseudo/Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 30ab375624a706b88a092e30a79375fd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1237 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 Ga 13.00 69.72300 Ga( 1.00) Ag 11.00 107.86820 Ag( 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= 384 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026042 k( 2) = ( 0.0000000 0.0100000 -0.0000000), wk = 0.0026042 k( 3) = ( 0.0000000 0.0200000 -0.0000000), wk = 0.0026042 k( 4) = ( 0.0000000 0.0300000 -0.0000000), wk = 0.0026042 k( 5) = ( 0.0000000 0.0400000 -0.0000000), wk = 0.0026042 k( 6) = ( 0.0000000 0.0500000 -0.0000000), wk = 0.0026042 k( 7) = ( 0.0000000 0.0600000 -0.0000000), wk = 0.0026042 k( 8) = ( 0.0000000 0.0700000 -0.0000000), wk = 0.0026042 k( 9) = ( 0.0000000 0.0800000 -0.0000000), wk = 0.0026042 k( 10) = ( 0.0000000 0.0900000 -0.0000000), wk = 0.0026042 k( 11) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0026042 k( 12) = ( 0.0000000 0.1100000 -0.0000000), wk = 0.0026042 k( 13) = ( 0.0000000 0.1200000 -0.0000000), wk = 0.0026042 k( 14) = ( 0.0000000 0.1300000 -0.0000000), wk = 0.0026042 k( 15) = ( 0.0000000 0.1400000 -0.0000000), wk = 0.0026042 k( 16) = ( 0.0000000 0.1500000 -0.0000000), wk = 0.0026042 k( 17) = ( 0.0000000 0.1600000 -0.0000000), wk = 0.0026042 k( 18) = ( 0.0000000 0.1700000 -0.0000000), wk = 0.0026042 k( 19) = ( 0.0000000 0.1800000 -0.0000000), wk = 0.0026042 k( 20) = ( 0.0000000 0.1900000 -0.0000000), wk = 0.0026042 k( 21) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0026042 k( 22) = ( 0.0000000 0.2100000 -0.0000000), wk = 0.0026042 k( 23) = ( 0.0000000 0.2200000 -0.0000000), wk = 0.0026042 k( 24) = ( 0.0000000 0.2300000 -0.0000000), wk = 0.0026042 k( 25) = ( 0.0000000 0.2400000 -0.0000000), wk = 0.0026042 k( 26) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0026042 k( 27) = ( 0.0000000 0.2600000 -0.0000000), wk = 0.0026042 k( 28) = ( 0.0000000 0.2700000 -0.0000000), wk = 0.0026042 k( 29) = ( 0.0000000 0.2800000 -0.0000000), wk = 0.0026042 k( 30) = ( 0.0000000 0.2900000 -0.0000000), wk = 0.0026042 k( 31) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0026042 k( 32) = ( 0.0000000 0.3100000 -0.0000000), wk = 0.0026042 k( 33) = ( 0.0000000 0.3200000 -0.0000000), wk = 0.0026042 k( 34) = ( 0.0000000 0.3300000 -0.0000000), wk = 0.0026042 k( 35) = ( 0.0000000 0.3400000 -0.0000000), wk = 0.0026042 k( 36) = ( 0.0000000 0.3500000 -0.0000000), wk = 0.0026042 k( 37) = ( 0.0000000 0.3600000 -0.0000000), wk = 0.0026042 k( 38) = ( 0.0000000 0.3700000 -0.0000000), wk = 0.0026042 k( 39) = ( 0.0000000 0.3800000 -0.0000000), wk = 0.0026042 k( 40) = ( 0.0000000 0.3900000 -0.0000000), wk = 0.0026042 k( 41) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0026042 k( 42) = ( 0.0000000 0.4100000 -0.0000000), wk = 0.0026042 k( 43) = ( 0.0000000 0.4200000 -0.0000000), wk = 0.0026042 k( 44) = ( 0.0000000 0.4300000 -0.0000000), wk = 0.0026042 k( 45) = ( 0.0000000 0.4400000 -0.0000000), wk = 0.0026042 k( 46) = ( 0.0000000 0.4500000 -0.0000000), wk = 0.0026042 k( 47) = ( 0.0000000 0.4600000 -0.0000000), wk = 0.0026042 k( 48) = ( 0.0000000 0.4700000 -0.0000000), wk = 0.0026042 k( 49) = ( 0.0000000 0.4800000 -0.0000000), wk = 0.0026042 k( 50) = ( 0.0000000 0.4900000 -0.0000000), wk = 0.0026042 k( 51) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026042 k( 52) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026042 k( 53) = ( 0.0100000 0.5000000 -0.0000000), wk = 0.0026042 k( 54) = ( 0.0200000 0.5000000 -0.0000000), wk = 0.0026042 k( 55) = ( 0.0300000 0.5000000 -0.0000000), wk = 0.0026042 k( 56) = ( 0.0400000 0.5000000 -0.0000000), wk = 0.0026042 k( 57) = ( 0.0500000 0.5000000 -0.0000000), wk = 0.0026042 k( 58) = ( 0.0600000 0.5000000 -0.0000000), wk = 0.0026042 k( 59) = ( 0.0700000 0.5000000 -0.0000000), wk = 0.0026042 k( 60) = ( 0.0800000 0.5000000 -0.0000000), wk = 0.0026042 k( 61) = ( 0.0900000 0.5000000 -0.0000000), wk = 0.0026042 k( 62) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0026042 k( 63) = ( 0.1100000 0.5000000 -0.0000000), wk = 0.0026042 k( 64) = ( 0.1200000 0.5000000 -0.0000000), wk = 0.0026042 k( 65) = ( 0.1300000 0.5000000 -0.0000000), wk = 0.0026042 k( 66) = ( 0.1400000 0.5000000 -0.0000000), wk = 0.0026042 k( 67) = ( 0.1500000 0.5000000 -0.0000000), wk = 0.0026042 k( 68) = ( 0.1600000 0.5000000 -0.0000000), wk = 0.0026042 k( 69) = ( 0.1700000 0.5000000 -0.0000000), wk = 0.0026042 k( 70) = ( 0.1800000 0.5000000 -0.0000000), wk = 0.0026042 k( 71) = ( 0.1900000 0.5000000 -0.0000000), wk = 0.0026042 k( 72) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0026042 k( 73) = ( 0.2100000 0.5000000 -0.0000000), wk = 0.0026042 k( 74) = ( 0.2200000 0.5000000 -0.0000000), wk = 0.0026042 k( 75) = ( 0.2300000 0.5000000 -0.0000000), wk = 0.0026042 k( 76) = ( 0.2400000 0.5000000 -0.0000000), wk = 0.0026042 k( 77) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0026042 k( 78) = ( 0.2600000 0.5000000 -0.0000000), wk = 0.0026042 k( 79) = ( 0.2700000 0.5000000 -0.0000000), wk = 0.0026042 k( 80) = ( 0.2800000 0.5000000 -0.0000000), wk = 0.0026042 k( 81) = ( 0.2900000 0.5000000 -0.0000000), wk = 0.0026042 k( 82) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0026042 k( 83) = ( 0.3100000 0.5000000 -0.0000000), wk = 0.0026042 k( 84) = ( 0.3200000 0.5000000 -0.0000000), wk = 0.0026042 k( 85) = ( 0.3300000 0.5000000 -0.0000000), wk = 0.0026042 k( 86) = ( 0.3400000 0.5000000 -0.0000000), wk = 0.0026042 k( 87) = ( 0.3500000 0.5000000 -0.0000000), wk = 0.0026042 k( 88) = ( 0.3600000 0.5000000 -0.0000000), wk = 0.0026042 k( 89) = ( 0.3700000 0.5000000 -0.0000000), wk = 0.0026042 k( 90) = ( 0.3800000 0.5000000 -0.0000000), wk = 0.0026042 k( 91) = ( 0.3900000 0.5000000 -0.0000000), wk = 0.0026042 k( 92) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0026042 k( 93) = ( 0.4100000 0.5000000 -0.0000000), wk = 0.0026042 k( 94) = ( 0.4200000 0.5000000 -0.0000000), wk = 0.0026042 k( 95) = ( 0.4300000 0.5000000 -0.0000000), wk = 0.0026042 k( 96) = ( 0.4400000 0.5000000 -0.0000000), wk = 0.0026042 k( 97) = ( 0.4500000 0.5000000 -0.0000000), wk = 0.0026042 k( 98) = ( 0.4600000 0.5000000 -0.0000000), wk = 0.0026042 k( 99) = ( 0.4700000 0.5000000 -0.0000000), wk = 0.0026042 k( 100) = ( 0.4800000 0.5000000 -0.0000000), wk = 0.0026042 k( 101) = ( 0.4900000 0.5000000 -0.0000000), wk = 0.0026042 k( 102) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026042 k( 103) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026042 k( 104) = ( 0.4929577 0.4929577 -0.0000000), wk = 0.0026042 k( 105) = ( 0.4859155 0.4859155 -0.0000000), wk = 0.0026042 k( 106) = ( 0.4788732 0.4788732 -0.0000000), wk = 0.0026042 k( 107) = ( 0.4718310 0.4718310 -0.0000000), wk = 0.0026042 k( 108) = ( 0.4647887 0.4647887 -0.0000000), wk = 0.0026042 k( 109) = ( 0.4577465 0.4577465 -0.0000000), wk = 0.0026042 k( 110) = ( 0.4507042 0.4507042 -0.0000000), wk = 0.0026042 k( 111) = ( 0.4436620 0.4436620 -0.0000000), wk = 0.0026042 k( 112) = ( 0.4366197 0.4366197 -0.0000000), wk = 0.0026042 k( 113) = ( 0.4295775 0.4295775 -0.0000000), wk = 0.0026042 k( 114) = ( 0.4225352 0.4225352 -0.0000000), wk = 0.0026042 k( 115) = ( 0.4154930 0.4154930 -0.0000000), wk = 0.0026042 k( 116) = ( 0.4084507 0.4084507 -0.0000000), wk = 0.0026042 k( 117) = ( 0.4014085 0.4014084 -0.0000000), wk = 0.0026042 k( 118) = ( 0.3943662 0.3943662 -0.0000000), wk = 0.0026042 k( 119) = ( 0.3873239 0.3873239 -0.0000000), wk = 0.0026042 k( 120) = ( 0.3802817 0.3802817 -0.0000000), wk = 0.0026042 k( 121) = ( 0.3732394 0.3732394 -0.0000000), wk = 0.0026042 k( 122) = ( 0.3661972 0.3661972 -0.0000000), wk = 0.0026042 k( 123) = ( 0.3591549 0.3591549 -0.0000000), wk = 0.0026042 k( 124) = ( 0.3521127 0.3521127 -0.0000000), wk = 0.0026042 k( 125) = ( 0.3450704 0.3450704 -0.0000000), wk = 0.0026042 k( 126) = ( 0.3380282 0.3380282 -0.0000000), wk = 0.0026042 k( 127) = ( 0.3309859 0.3309859 -0.0000000), wk = 0.0026042 k( 128) = ( 0.3239437 0.3239437 -0.0000000), wk = 0.0026042 k( 129) = ( 0.3169014 0.3169014 -0.0000000), wk = 0.0026042 k( 130) = ( 0.3098592 0.3098591 -0.0000000), wk = 0.0026042 k( 131) = ( 0.3028169 0.3028169 -0.0000000), wk = 0.0026042 k( 132) = ( 0.2957746 0.2957746 -0.0000000), wk = 0.0026042 k( 133) = ( 0.2887324 0.2887324 -0.0000000), wk = 0.0026042 k( 134) = ( 0.2816901 0.2816901 -0.0000000), wk = 0.0026042 k( 135) = ( 0.2746479 0.2746479 -0.0000000), wk = 0.0026042 k( 136) = ( 0.2676056 0.2676056 -0.0000000), wk = 0.0026042 k( 137) = ( 0.2605634 0.2605634 -0.0000000), wk = 0.0026042 k( 138) = ( 0.2535211 0.2535211 -0.0000000), wk = 0.0026042 k( 139) = ( 0.2464789 0.2464789 -0.0000000), wk = 0.0026042 k( 140) = ( 0.2394366 0.2394366 -0.0000000), wk = 0.0026042 k( 141) = ( 0.2323944 0.2323944 -0.0000000), wk = 0.0026042 k( 142) = ( 0.2253521 0.2253521 -0.0000000), wk = 0.0026042 k( 143) = ( 0.2183099 0.2183099 -0.0000000), wk = 0.0026042 k( 144) = ( 0.2112676 0.2112676 -0.0000000), wk = 0.0026042 k( 145) = ( 0.2042253 0.2042253 -0.0000000), wk = 0.0026042 k( 146) = ( 0.1971831 0.1971831 -0.0000000), wk = 0.0026042 k( 147) = ( 0.1901409 0.1901408 -0.0000000), wk = 0.0026042 k( 148) = ( 0.1830986 0.1830986 -0.0000000), wk = 0.0026042 k( 149) = ( 0.1760563 0.1760563 -0.0000000), wk = 0.0026042 k( 150) = ( 0.1690141 0.1690141 -0.0000000), wk = 0.0026042 k( 151) = ( 0.1619718 0.1619718 -0.0000000), wk = 0.0026042 k( 152) = ( 0.1549296 0.1549296 -0.0000000), wk = 0.0026042 k( 153) = ( 0.1478873 0.1478873 -0.0000000), wk = 0.0026042 k( 154) = ( 0.1408451 0.1408451 -0.0000000), wk = 0.0026042 k( 155) = ( 0.1338028 0.1338028 -0.0000000), wk = 0.0026042 k( 156) = ( 0.1267606 0.1267606 -0.0000000), wk = 0.0026042 k( 157) = ( 0.1197183 0.1197183 -0.0000000), wk = 0.0026042 k( 158) = ( 0.1126761 0.1126761 -0.0000000), wk = 0.0026042 k( 159) = ( 0.1056338 0.1056338 -0.0000000), wk = 0.0026042 k( 160) = ( 0.0985916 0.0985915 -0.0000000), wk = 0.0026042 k( 161) = ( 0.0915493 0.0915493 -0.0000000), wk = 0.0026042 k( 162) = ( 0.0845070 0.0845070 -0.0000000), wk = 0.0026042 k( 163) = ( 0.0774648 0.0774648 -0.0000000), wk = 0.0026042 k( 164) = ( 0.0704225 0.0704225 -0.0000000), wk = 0.0026042 k( 165) = ( 0.0633803 0.0633803 -0.0000000), wk = 0.0026042 k( 166) = ( 0.0563380 0.0563380 -0.0000000), wk = 0.0026042 k( 167) = ( 0.0492958 0.0492958 -0.0000000), wk = 0.0026042 k( 168) = ( 0.0422535 0.0422535 -0.0000000), wk = 0.0026042 k( 169) = ( 0.0352113 0.0352113 -0.0000000), wk = 0.0026042 k( 170) = ( 0.0281690 0.0281690 -0.0000000), wk = 0.0026042 k( 171) = ( 0.0211268 0.0211268 -0.0000000), wk = 0.0026042 k( 172) = ( 0.0140845 0.0140845 -0.0000000), wk = 0.0026042 k( 173) = ( 0.0070422 0.0070422 -0.0000000), wk = 0.0026042 k( 174) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026042 k( 175) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026042 k( 176) = ( 0.0058140 0.0058139 0.0058139), wk = 0.0026042 k( 177) = ( 0.0116279 0.0116279 0.0116279), wk = 0.0026042 k( 178) = ( 0.0174419 0.0174419 0.0174419), wk = 0.0026042 k( 179) = ( 0.0232558 0.0232558 0.0232558), wk = 0.0026042 k( 180) = ( 0.0290698 0.0290698 0.0290698), wk = 0.0026042 k( 181) = ( 0.0348837 0.0348837 0.0348837), wk = 0.0026042 k( 182) = ( 0.0406977 0.0406977 0.0406977), wk = 0.0026042 k( 183) = ( 0.0465116 0.0465116 0.0465116), wk = 0.0026042 k( 184) = ( 0.0523256 0.0523256 0.0523256), wk = 0.0026042 k( 185) = ( 0.0581395 0.0581395 0.0581395), wk = 0.0026042 k( 186) = ( 0.0639535 0.0639535 0.0639535), wk = 0.0026042 k( 187) = ( 0.0697674 0.0697674 0.0697674), wk = 0.0026042 k( 188) = ( 0.0755814 0.0755814 0.0755814), wk = 0.0026042 k( 189) = ( 0.0813954 0.0813953 0.0813953), wk = 0.0026042 k( 190) = ( 0.0872093 0.0872093 0.0872093), wk = 0.0026042 k( 191) = ( 0.0930233 0.0930233 0.0930233), wk = 0.0026042 k( 192) = ( 0.0988372 0.0988372 0.0988372), wk = 0.0026042 k( 193) = ( 0.1046512 0.1046512 0.1046512), wk = 0.0026042 k( 194) = ( 0.1104651 0.1104651 0.1104651), wk = 0.0026042 k( 195) = ( 0.1162791 0.1162791 0.1162791), wk = 0.0026042 k( 196) = ( 0.1220930 0.1220930 0.1220930), wk = 0.0026042 k( 197) = ( 0.1279070 0.1279070 0.1279070), wk = 0.0026042 k( 198) = ( 0.1337209 0.1337209 0.1337209), wk = 0.0026042 k( 199) = ( 0.1395349 0.1395349 0.1395349), wk = 0.0026042 k( 200) = ( 0.1453488 0.1453488 0.1453488), wk = 0.0026042 k( 201) = ( 0.1511628 0.1511628 0.1511628), wk = 0.0026042 k( 202) = ( 0.1569767 0.1569767 0.1569767), wk = 0.0026042 k( 203) = ( 0.1627907 0.1627907 0.1627907), wk = 0.0026042 k( 204) = ( 0.1686046 0.1686046 0.1686046), wk = 0.0026042 k( 205) = ( 0.1744186 0.1744186 0.1744186), wk = 0.0026042 k( 206) = ( 0.1802326 0.1802326 0.1802326), wk = 0.0026042 k( 207) = ( 0.1860465 0.1860465 0.1860465), wk = 0.0026042 k( 208) = ( 0.1918605 0.1918605 0.1918605), wk = 0.0026042 k( 209) = ( 0.1976744 0.1976744 0.1976744), wk = 0.0026042 k( 210) = ( 0.2034884 0.2034884 0.2034884), wk = 0.0026042 k( 211) = ( 0.2093023 0.2093023 0.2093023), wk = 0.0026042 k( 212) = ( 0.2151163 0.2151163 0.2151163), wk = 0.0026042 k( 213) = ( 0.2209302 0.2209302 0.2209302), wk = 0.0026042 k( 214) = ( 0.2267442 0.2267442 0.2267442), wk = 0.0026042 k( 215) = ( 0.2325581 0.2325581 0.2325581), wk = 0.0026042 k( 216) = ( 0.2383721 0.2383721 0.2383721), wk = 0.0026042 k( 217) = ( 0.2441860 0.2441860 0.2441860), wk = 0.0026042 k( 218) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0026042 k( 219) = ( 0.2558140 0.2558140 0.2558139), wk = 0.0026042 k( 220) = ( 0.2616279 0.2616279 0.2616279), wk = 0.0026042 k( 221) = ( 0.2674419 0.2674419 0.2674419), wk = 0.0026042 k( 222) = ( 0.2732558 0.2732558 0.2732558), wk = 0.0026042 k( 223) = ( 0.2790698 0.2790698 0.2790698), wk = 0.0026042 k( 224) = ( 0.2848837 0.2848837 0.2848837), wk = 0.0026042 k( 225) = ( 0.2906977 0.2906977 0.2906977), wk = 0.0026042 k( 226) = ( 0.2965116 0.2965116 0.2965116), wk = 0.0026042 k( 227) = ( 0.3023256 0.3023256 0.3023256), wk = 0.0026042 k( 228) = ( 0.3081395 0.3081395 0.3081395), wk = 0.0026042 k( 229) = ( 0.3139535 0.3139535 0.3139535), wk = 0.0026042 k( 230) = ( 0.3197674 0.3197674 0.3197674), wk = 0.0026042 k( 231) = ( 0.3255814 0.3255814 0.3255814), wk = 0.0026042 k( 232) = ( 0.3313953 0.3313953 0.3313953), wk = 0.0026042 k( 233) = ( 0.3372093 0.3372093 0.3372093), wk = 0.0026042 k( 234) = ( 0.3430233 0.3430233 0.3430233), wk = 0.0026042 k( 235) = ( 0.3488372 0.3488372 0.3488372), wk = 0.0026042 k( 236) = ( 0.3546512 0.3546512 0.3546512), wk = 0.0026042 k( 237) = ( 0.3604651 0.3604651 0.3604651), wk = 0.0026042 k( 238) = ( 0.3662791 0.3662791 0.3662791), wk = 0.0026042 k( 239) = ( 0.3720930 0.3720930 0.3720930), wk = 0.0026042 k( 240) = ( 0.3779070 0.3779070 0.3779070), wk = 0.0026042 k( 241) = ( 0.3837209 0.3837209 0.3837209), wk = 0.0026042 k( 242) = ( 0.3895349 0.3895349 0.3895349), wk = 0.0026042 k( 243) = ( 0.3953488 0.3953488 0.3953488), wk = 0.0026042 k( 244) = ( 0.4011628 0.4011628 0.4011628), wk = 0.0026042 k( 245) = ( 0.4069767 0.4069767 0.4069767), wk = 0.0026042 k( 246) = ( 0.4127907 0.4127907 0.4127907), wk = 0.0026042 k( 247) = ( 0.4186047 0.4186046 0.4186046), wk = 0.0026042 k( 248) = ( 0.4244186 0.4244186 0.4244186), wk = 0.0026042 k( 249) = ( 0.4302326 0.4302326 0.4302326), wk = 0.0026042 k( 250) = ( 0.4360465 0.4360465 0.4360465), wk = 0.0026042 k( 251) = ( 0.4418605 0.4418605 0.4418605), wk = 0.0026042 k( 252) = ( 0.4476744 0.4476744 0.4476744), wk = 0.0026042 k( 253) = ( 0.4534884 0.4534884 0.4534884), wk = 0.0026042 k( 254) = ( 0.4593023 0.4593023 0.4593023), wk = 0.0026042 k( 255) = ( 0.4651163 0.4651163 0.4651163), wk = 0.0026042 k( 256) = ( 0.4709302 0.4709302 0.4709302), wk = 0.0026042 k( 257) = ( 0.4767442 0.4767442 0.4767442), wk = 0.0026042 k( 258) = ( 0.4825581 0.4825581 0.4825581), wk = 0.0026042 k( 259) = ( 0.4883721 0.4883721 0.4883721), wk = 0.0026042 k( 260) = ( 0.4941860 0.4941860 0.4941860), wk = 0.0026042 k( 261) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026042 k( 262) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026042 k( 263) = ( 0.4929577 0.5000000 0.4929577), wk = 0.0026042 k( 264) = ( 0.4859155 0.5000000 0.4859155), wk = 0.0026042 k( 265) = ( 0.4788732 0.5000000 0.4788732), wk = 0.0026042 k( 266) = ( 0.4718310 0.5000000 0.4718310), wk = 0.0026042 k( 267) = ( 0.4647887 0.5000000 0.4647887), wk = 0.0026042 k( 268) = ( 0.4577465 0.5000000 0.4577465), wk = 0.0026042 k( 269) = ( 0.4507042 0.5000000 0.4507042), wk = 0.0026042 k( 270) = ( 0.4436620 0.5000000 0.4436620), wk = 0.0026042 k( 271) = ( 0.4366197 0.5000000 0.4366197), wk = 0.0026042 k( 272) = ( 0.4295775 0.5000000 0.4295775), wk = 0.0026042 k( 273) = ( 0.4225352 0.5000000 0.4225352), wk = 0.0026042 k( 274) = ( 0.4154930 0.5000000 0.4154930), wk = 0.0026042 k( 275) = ( 0.4084507 0.5000000 0.4084507), wk = 0.0026042 k( 276) = ( 0.4014085 0.5000000 0.4014084), wk = 0.0026042 k( 277) = ( 0.3943662 0.5000000 0.3943662), wk = 0.0026042 k( 278) = ( 0.3873239 0.5000000 0.3873239), wk = 0.0026042 k( 279) = ( 0.3802817 0.5000000 0.3802817), wk = 0.0026042 k( 280) = ( 0.3732394 0.5000000 0.3732394), wk = 0.0026042 k( 281) = ( 0.3661972 0.5000000 0.3661972), wk = 0.0026042 k( 282) = ( 0.3591549 0.5000000 0.3591549), wk = 0.0026042 k( 283) = ( 0.3521127 0.5000000 0.3521127), wk = 0.0026042 k( 284) = ( 0.3450704 0.5000000 0.3450704), wk = 0.0026042 k( 285) = ( 0.3380282 0.5000000 0.3380282), wk = 0.0026042 k( 286) = ( 0.3309859 0.5000000 0.3309859), wk = 0.0026042 k( 287) = ( 0.3239437 0.5000000 0.3239437), wk = 0.0026042 k( 288) = ( 0.3169014 0.5000000 0.3169014), wk = 0.0026042 k( 289) = ( 0.3098592 0.5000000 0.3098591), wk = 0.0026042 k( 290) = ( 0.3028169 0.5000000 0.3028169), wk = 0.0026042 k( 291) = ( 0.2957746 0.5000000 0.2957746), wk = 0.0026042 k( 292) = ( 0.2887324 0.5000000 0.2887324), wk = 0.0026042 k( 293) = ( 0.2816901 0.5000000 0.2816901), wk = 0.0026042 k( 294) = ( 0.2746479 0.5000000 0.2746479), wk = 0.0026042 k( 295) = ( 0.2676056 0.5000000 0.2676056), wk = 0.0026042 k( 296) = ( 0.2605634 0.5000000 0.2605634), wk = 0.0026042 k( 297) = ( 0.2535211 0.5000000 0.2535211), wk = 0.0026042 k( 298) = ( 0.2464789 0.5000000 0.2464789), wk = 0.0026042 k( 299) = ( 0.2394366 0.5000000 0.2394366), wk = 0.0026042 k( 300) = ( 0.2323944 0.5000000 0.2323944), wk = 0.0026042 k( 301) = ( 0.2253521 0.5000000 0.2253521), wk = 0.0026042 k( 302) = ( 0.2183099 0.5000000 0.2183099), wk = 0.0026042 k( 303) = ( 0.2112676 0.5000000 0.2112676), wk = 0.0026042 k( 304) = ( 0.2042253 0.5000000 0.2042253), wk = 0.0026042 k( 305) = ( 0.1971831 0.5000000 0.1971831), wk = 0.0026042 k( 306) = ( 0.1901409 0.5000000 0.1901408), wk = 0.0026042 k( 307) = ( 0.1830986 0.5000000 0.1830986), wk = 0.0026042 k( 308) = ( 0.1760563 0.5000000 0.1760563), wk = 0.0026042 k( 309) = ( 0.1690141 0.5000000 0.1690141), wk = 0.0026042 k( 310) = ( 0.1619718 0.5000000 0.1619718), wk = 0.0026042 k( 311) = ( 0.1549296 0.5000000 0.1549296), wk = 0.0026042 k( 312) = ( 0.1478873 0.5000000 0.1478873), wk = 0.0026042 k( 313) = ( 0.1408451 0.5000000 0.1408451), wk = 0.0026042 k( 314) = ( 0.1338028 0.5000000 0.1338028), wk = 0.0026042 k( 315) = ( 0.1267606 0.5000000 0.1267606), wk = 0.0026042 k( 316) = ( 0.1197183 0.5000000 0.1197183), wk = 0.0026042 k( 317) = ( 0.1126761 0.5000000 0.1126761), wk = 0.0026042 k( 318) = ( 0.1056338 0.5000000 0.1056338), wk = 0.0026042 k( 319) = ( 0.0985916 0.5000000 0.0985915), wk = 0.0026042 k( 320) = ( 0.0915493 0.5000000 0.0915493), wk = 0.0026042 k( 321) = ( 0.0845070 0.5000000 0.0845070), wk = 0.0026042 k( 322) = ( 0.0774648 0.5000000 0.0774648), wk = 0.0026042 k( 323) = ( 0.0704225 0.5000000 0.0704225), wk = 0.0026042 k( 324) = ( 0.0633803 0.5000000 0.0633803), wk = 0.0026042 k( 325) = ( 0.0563380 0.5000000 0.0563380), wk = 0.0026042 k( 326) = ( 0.0492958 0.5000000 0.0492958), wk = 0.0026042 k( 327) = ( 0.0422535 0.5000000 0.0422535), wk = 0.0026042 k( 328) = ( 0.0352113 0.5000000 0.0352113), wk = 0.0026042 k( 329) = ( 0.0281690 0.5000000 0.0281690), wk = 0.0026042 k( 330) = ( 0.0211268 0.5000000 0.0211268), wk = 0.0026042 k( 331) = ( 0.0140845 0.5000000 0.0140845), wk = 0.0026042 k( 332) = ( 0.0070422 0.5000000 0.0070422), wk = 0.0026042 k( 333) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026042 k( 334) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026042 k( 335) = ( 0.5000000 0.5000000 0.0100000), wk = 0.0026042 k( 336) = ( 0.5000000 0.5000000 0.0200000), wk = 0.0026042 k( 337) = ( 0.5000000 0.5000000 0.0300000), wk = 0.0026042 k( 338) = ( 0.5000000 0.5000000 0.0400000), wk = 0.0026042 k( 339) = ( 0.5000000 0.5000000 0.0500000), wk = 0.0026042 k( 340) = ( 0.5000000 0.5000000 0.0600000), wk = 0.0026042 k( 341) = ( 0.5000000 0.5000000 0.0700000), wk = 0.0026042 k( 342) = ( 0.5000000 0.5000000 0.0800000), wk = 0.0026042 k( 343) = ( 0.5000000 0.5000000 0.0900000), wk = 0.0026042 k( 344) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0026042 k( 345) = ( 0.5000000 0.5000000 0.1100000), wk = 0.0026042 k( 346) = ( 0.5000000 0.5000000 0.1200000), wk = 0.0026042 k( 347) = ( 0.5000000 0.5000000 0.1300000), wk = 0.0026042 k( 348) = ( 0.5000000 0.5000000 0.1400000), wk = 0.0026042 k( 349) = ( 0.5000000 0.5000000 0.1500000), wk = 0.0026042 k( 350) = ( 0.5000000 0.5000000 0.1600000), wk = 0.0026042 k( 351) = ( 0.5000000 0.5000000 0.1700000), wk = 0.0026042 k( 352) = ( 0.5000000 0.5000000 0.1800000), wk = 0.0026042 k( 353) = ( 0.5000000 0.5000000 0.1900000), wk = 0.0026042 k( 354) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0026042 k( 355) = ( 0.5000000 0.5000000 0.2100000), wk = 0.0026042 k( 356) = ( 0.5000000 0.5000000 0.2200000), wk = 0.0026042 k( 357) = ( 0.5000000 0.5000000 0.2300000), wk = 0.0026042 k( 358) = ( 0.5000000 0.5000000 0.2400000), wk = 0.0026042 k( 359) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0026042 k( 360) = ( 0.5000000 0.5000000 0.2600000), wk = 0.0026042 k( 361) = ( 0.5000000 0.5000000 0.2700000), wk = 0.0026042 k( 362) = ( 0.5000000 0.5000000 0.2800000), wk = 0.0026042 k( 363) = ( 0.5000000 0.5000000 0.2900000), wk = 0.0026042 k( 364) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0026042 k( 365) = ( 0.5000000 0.5000000 0.3100000), wk = 0.0026042 k( 366) = ( 0.5000000 0.5000000 0.3200000), wk = 0.0026042 k( 367) = ( 0.5000000 0.5000000 0.3300000), wk = 0.0026042 k( 368) = ( 0.5000000 0.5000000 0.3400000), wk = 0.0026042 k( 369) = ( 0.5000000 0.5000000 0.3500000), wk = 0.0026042 k( 370) = ( 0.5000000 0.5000000 0.3600000), wk = 0.0026042 k( 371) = ( 0.5000000 0.5000000 0.3700000), wk = 0.0026042 k( 372) = ( 0.5000000 0.5000000 0.3800000), wk = 0.0026042 k( 373) = ( 0.5000000 0.5000000 0.3900000), wk = 0.0026042 k( 374) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0026042 k( 375) = ( 0.5000000 0.5000000 0.4100000), wk = 0.0026042 k( 376) = ( 0.5000000 0.5000000 0.4200000), wk = 0.0026042 k( 377) = ( 0.5000000 0.5000000 0.4300000), wk = 0.0026042 k( 378) = ( 0.5000000 0.5000000 0.4400000), wk = 0.0026042 k( 379) = ( 0.5000000 0.5000000 0.4500000), wk = 0.0026042 k( 380) = ( 0.5000000 0.5000000 0.4600000), wk = 0.0026042 k( 381) = ( 0.5000000 0.5000000 0.4700000), wk = 0.0026042 k( 382) = ( 0.5000000 0.5000000 0.4800000), wk = 0.0026042 k( 383) = ( 0.5000000 0.5000000 0.4900000), wk = 0.0026042 k( 384) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026042 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026042 k( 2) = ( 0.0000000 0.0100000 0.0000000), wk = 0.0026042 k( 3) = ( 0.0000000 0.0200000 0.0000000), wk = 0.0026042 k( 4) = ( 0.0000000 0.0300000 0.0000000), wk = 0.0026042 k( 5) = ( 0.0000000 0.0400000 0.0000000), wk = 0.0026042 k( 6) = ( 0.0000000 0.0500000 0.0000000), wk = 0.0026042 k( 7) = ( 0.0000000 0.0600000 0.0000000), wk = 0.0026042 k( 8) = ( 0.0000000 0.0700000 0.0000000), wk = 0.0026042 k( 9) = ( 0.0000000 0.0800000 0.0000000), wk = 0.0026042 k( 10) = ( 0.0000000 0.0900000 0.0000000), wk = 0.0026042 k( 11) = ( 0.0000000 0.1000000 0.0000000), wk = 0.0026042 k( 12) = ( 0.0000000 0.1100000 0.0000000), wk = 0.0026042 k( 13) = ( 0.0000000 0.1200000 0.0000000), wk = 0.0026042 k( 14) = ( 0.0000000 0.1300000 0.0000000), wk = 0.0026042 k( 15) = ( 0.0000000 0.1400000 0.0000000), wk = 0.0026042 k( 16) = ( 0.0000000 0.1500000 0.0000000), wk = 0.0026042 k( 17) = ( 0.0000000 0.1600000 0.0000000), wk = 0.0026042 k( 18) = ( 0.0000000 0.1700000 0.0000000), wk = 0.0026042 k( 19) = ( 0.0000000 0.1800000 0.0000000), wk = 0.0026042 k( 20) = ( 0.0000000 0.1900000 0.0000000), wk = 0.0026042 k( 21) = ( 0.0000000 0.2000000 0.0000000), wk = 0.0026042 k( 22) = ( 0.0000000 0.2100000 0.0000000), wk = 0.0026042 k( 23) = ( 0.0000000 0.2200000 0.0000000), wk = 0.0026042 k( 24) = ( 0.0000000 0.2300000 0.0000000), wk = 0.0026042 k( 25) = ( 0.0000000 0.2400000 0.0000000), wk = 0.0026042 k( 26) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0026042 k( 27) = ( 0.0000000 0.2600000 0.0000000), wk = 0.0026042 k( 28) = ( 0.0000000 0.2700000 0.0000000), wk = 0.0026042 k( 29) = ( 0.0000000 0.2800000 0.0000000), wk = 0.0026042 k( 30) = ( 0.0000000 0.2900000 0.0000000), wk = 0.0026042 k( 31) = ( 0.0000000 0.3000000 0.0000000), wk = 0.0026042 k( 32) = ( 0.0000000 0.3100000 0.0000000), wk = 0.0026042 k( 33) = ( 0.0000000 0.3200000 0.0000000), wk = 0.0026042 k( 34) = ( 0.0000000 0.3300000 0.0000000), wk = 0.0026042 k( 35) = ( 0.0000000 0.3400000 0.0000000), wk = 0.0026042 k( 36) = ( 0.0000000 0.3500000 0.0000000), wk = 0.0026042 k( 37) = ( 0.0000000 0.3600000 0.0000000), wk = 0.0026042 k( 38) = ( 0.0000000 0.3700000 0.0000000), wk = 0.0026042 k( 39) = ( 0.0000000 0.3800000 0.0000000), wk = 0.0026042 k( 40) = ( 0.0000000 0.3900000 0.0000000), wk = 0.0026042 k( 41) = ( 0.0000000 0.4000000 0.0000000), wk = 0.0026042 k( 42) = ( 0.0000000 0.4100000 0.0000000), wk = 0.0026042 k( 43) = ( 0.0000000 0.4200000 0.0000000), wk = 0.0026042 k( 44) = ( 0.0000000 0.4300000 0.0000000), wk = 0.0026042 k( 45) = ( 0.0000000 0.4400000 0.0000000), wk = 0.0026042 k( 46) = ( 0.0000000 0.4500000 0.0000000), wk = 0.0026042 k( 47) = ( 0.0000000 0.4600000 0.0000000), wk = 0.0026042 k( 48) = ( 0.0000000 0.4700000 0.0000000), wk = 0.0026042 k( 49) = ( 0.0000000 0.4800000 0.0000000), wk = 0.0026042 k( 50) = ( 0.0000000 0.4900000 0.0000000), wk = 0.0026042 k( 51) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026042 k( 52) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026042 k( 53) = ( 0.0100000 0.5000000 0.0000000), wk = 0.0026042 k( 54) = ( 0.0200000 0.5000000 0.0000000), wk = 0.0026042 k( 55) = ( 0.0300000 0.5000000 0.0000000), wk = 0.0026042 k( 56) = ( 0.0400000 0.5000000 0.0000000), wk = 0.0026042 k( 57) = ( 0.0500000 0.5000000 0.0000000), wk = 0.0026042 k( 58) = ( 0.0600000 0.5000000 0.0000000), wk = 0.0026042 k( 59) = ( 0.0700000 0.5000000 0.0000000), wk = 0.0026042 k( 60) = ( 0.0800000 0.5000000 0.0000000), wk = 0.0026042 k( 61) = ( 0.0900000 0.5000000 0.0000000), wk = 0.0026042 k( 62) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0026042 k( 63) = ( 0.1100000 0.5000000 0.0000000), wk = 0.0026042 k( 64) = ( 0.1200000 0.5000000 0.0000000), wk = 0.0026042 k( 65) = ( 0.1300000 0.5000000 0.0000000), wk = 0.0026042 k( 66) = ( 0.1400000 0.5000000 0.0000000), wk = 0.0026042 k( 67) = ( 0.1500000 0.5000000 0.0000000), wk = 0.0026042 k( 68) = ( 0.1600000 0.5000000 0.0000000), wk = 0.0026042 k( 69) = ( 0.1700000 0.5000000 0.0000000), wk = 0.0026042 k( 70) = ( 0.1800000 0.5000000 0.0000000), wk = 0.0026042 k( 71) = ( 0.1900000 0.5000000 0.0000000), wk = 0.0026042 k( 72) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0026042 k( 73) = ( 0.2100000 0.5000000 0.0000000), wk = 0.0026042 k( 74) = ( 0.2200000 0.5000000 0.0000000), wk = 0.0026042 k( 75) = ( 0.2300000 0.5000000 0.0000000), wk = 0.0026042 k( 76) = ( 0.2400000 0.5000000 0.0000000), wk = 0.0026042 k( 77) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0026042 k( 78) = ( 0.2600000 0.5000000 0.0000000), wk = 0.0026042 k( 79) = ( 0.2700000 0.5000000 0.0000000), wk = 0.0026042 k( 80) = ( 0.2800000 0.5000000 0.0000000), wk = 0.0026042 k( 81) = ( 0.2900000 0.5000000 0.0000000), wk = 0.0026042 k( 82) = ( 0.3000000 0.5000000 0.0000000), wk = 0.0026042 k( 83) = ( 0.3100000 0.5000000 0.0000000), wk = 0.0026042 k( 84) = ( 0.3200000 0.5000000 0.0000000), wk = 0.0026042 k( 85) = ( 0.3300000 0.5000000 0.0000000), wk = 0.0026042 k( 86) = ( 0.3400000 0.5000000 0.0000000), wk = 0.0026042 k( 87) = ( 0.3500000 0.5000000 0.0000000), wk = 0.0026042 k( 88) = ( 0.3600000 0.5000000 0.0000000), wk = 0.0026042 k( 89) = ( 0.3700000 0.5000000 0.0000000), wk = 0.0026042 k( 90) = ( 0.3800000 0.5000000 0.0000000), wk = 0.0026042 k( 91) = ( 0.3900000 0.5000000 0.0000000), wk = 0.0026042 k( 92) = ( 0.4000000 0.5000000 0.0000000), wk = 0.0026042 k( 93) = ( 0.4100000 0.5000000 0.0000000), wk = 0.0026042 k( 94) = ( 0.4200000 0.5000000 0.0000000), wk = 0.0026042 k( 95) = ( 0.4300000 0.5000000 0.0000000), wk = 0.0026042 k( 96) = ( 0.4400000 0.5000000 0.0000000), wk = 0.0026042 k( 97) = ( 0.4500000 0.5000000 0.0000000), wk = 0.0026042 k( 98) = ( 0.4600000 0.5000000 0.0000000), wk = 0.0026042 k( 99) = ( 0.4700000 0.5000000 0.0000000), wk = 0.0026042 k( 100) = ( 0.4800000 0.5000000 0.0000000), wk = 0.0026042 k( 101) = ( 0.4900000 0.5000000 0.0000000), wk = 0.0026042 k( 102) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0026042 k( 103) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0026042 k( 104) = ( 0.4929577 0.4929577 0.0000000), wk = 0.0026042 k( 105) = ( 0.4859155 0.4859155 0.0000000), wk = 0.0026042 k( 106) = ( 0.4788732 0.4788732 0.0000000), wk = 0.0026042 k( 107) = ( 0.4718310 0.4718310 0.0000000), wk = 0.0026042 k( 108) = ( 0.4647887 0.4647887 0.0000000), wk = 0.0026042 k( 109) = ( 0.4577465 0.4577465 0.0000000), wk = 0.0026042 k( 110) = ( 0.4507042 0.4507042 0.0000000), wk = 0.0026042 k( 111) = ( 0.4436620 0.4436620 0.0000000), wk = 0.0026042 k( 112) = ( 0.4366197 0.4366197 0.0000000), wk = 0.0026042 k( 113) = ( 0.4295775 0.4295775 0.0000000), wk = 0.0026042 k( 114) = ( 0.4225352 0.4225352 0.0000000), wk = 0.0026042 k( 115) = ( 0.4154930 0.4154930 0.0000000), wk = 0.0026042 k( 116) = ( 0.4084507 0.4084507 0.0000000), wk = 0.0026042 k( 117) = ( 0.4014085 0.4014085 0.0000000), wk = 0.0026042 k( 118) = ( 0.3943662 0.3943662 0.0000000), wk = 0.0026042 k( 119) = ( 0.3873239 0.3873239 0.0000000), wk = 0.0026042 k( 120) = ( 0.3802817 0.3802817 -0.0000000), wk = 0.0026042 k( 121) = ( 0.3732394 0.3732394 0.0000000), wk = 0.0026042 k( 122) = ( 0.3661972 0.3661972 0.0000000), wk = 0.0026042 k( 123) = ( 0.3591549 0.3591549 0.0000000), wk = 0.0026042 k( 124) = ( 0.3521127 0.3521127 0.0000000), wk = 0.0026042 k( 125) = ( 0.3450704 0.3450704 0.0000000), wk = 0.0026042 k( 126) = ( 0.3380282 0.3380282 -0.0000000), wk = 0.0026042 k( 127) = ( 0.3309859 0.3309859 0.0000000), wk = 0.0026042 k( 128) = ( 0.3239437 0.3239437 0.0000000), wk = 0.0026042 k( 129) = ( 0.3169014 0.3169014 0.0000000), wk = 0.0026042 k( 130) = ( 0.3098592 0.3098592 0.0000000), wk = 0.0026042 k( 131) = ( 0.3028169 0.3028169 -0.0000000), wk = 0.0026042 k( 132) = ( 0.2957746 0.2957746 -0.0000000), wk = 0.0026042 k( 133) = ( 0.2887324 0.2887324 -0.0000000), wk = 0.0026042 k( 134) = ( 0.2816901 0.2816901 0.0000000), wk = 0.0026042 k( 135) = ( 0.2746479 0.2746479 0.0000000), wk = 0.0026042 k( 136) = ( 0.2676056 0.2676056 0.0000000), wk = 0.0026042 k( 137) = ( 0.2605634 0.2605634 0.0000000), wk = 0.0026042 k( 138) = ( 0.2535211 0.2535211 0.0000000), wk = 0.0026042 k( 139) = ( 0.2464789 0.2464789 0.0000000), wk = 0.0026042 k( 140) = ( 0.2394366 0.2394366 0.0000000), wk = 0.0026042 k( 141) = ( 0.2323944 0.2323944 0.0000000), wk = 0.0026042 k( 142) = ( 0.2253521 0.2253521 0.0000000), wk = 0.0026042 k( 143) = ( 0.2183099 0.2183099 0.0000000), wk = 0.0026042 k( 144) = ( 0.2112676 0.2112676 0.0000000), wk = 0.0026042 k( 145) = ( 0.2042253 0.2042253 0.0000000), wk = 0.0026042 k( 146) = ( 0.1971831 0.1971831 0.0000000), wk = 0.0026042 k( 147) = ( 0.1901409 0.1901409 0.0000000), wk = 0.0026042 k( 148) = ( 0.1830986 0.1830986 0.0000000), wk = 0.0026042 k( 149) = ( 0.1760563 0.1760563 0.0000000), wk = 0.0026042 k( 150) = ( 0.1690141 0.1690141 -0.0000000), wk = 0.0026042 k( 151) = ( 0.1619718 0.1619718 0.0000000), wk = 0.0026042 k( 152) = ( 0.1549296 0.1549296 -0.0000000), wk = 0.0026042 k( 153) = ( 0.1478873 0.1478873 -0.0000000), wk = 0.0026042 k( 154) = ( 0.1408451 0.1408451 0.0000000), wk = 0.0026042 k( 155) = ( 0.1338028 0.1338028 0.0000000), wk = 0.0026042 k( 156) = ( 0.1267606 0.1267606 0.0000000), wk = 0.0026042 k( 157) = ( 0.1197183 0.1197183 0.0000000), wk = 0.0026042 k( 158) = ( 0.1126761 0.1126761 0.0000000), wk = 0.0026042 k( 159) = ( 0.1056338 0.1056338 0.0000000), wk = 0.0026042 k( 160) = ( 0.0985916 0.0985916 0.0000000), wk = 0.0026042 k( 161) = ( 0.0915493 0.0915493 0.0000000), wk = 0.0026042 k( 162) = ( 0.0845070 0.0845070 -0.0000000), wk = 0.0026042 k( 163) = ( 0.0774648 0.0774648 -0.0000000), wk = 0.0026042 k( 164) = ( 0.0704225 0.0704225 -0.0000000), wk = 0.0026042 k( 165) = ( 0.0633803 0.0633803 0.0000000), wk = 0.0026042 k( 166) = ( 0.0563380 0.0563380 0.0000000), wk = 0.0026042 k( 167) = ( 0.0492958 0.0492958 0.0000000), wk = 0.0026042 k( 168) = ( 0.0422535 0.0422535 -0.0000000), wk = 0.0026042 k( 169) = ( 0.0352113 0.0352113 -0.0000000), wk = 0.0026042 k( 170) = ( 0.0281690 0.0281690 0.0000000), wk = 0.0026042 k( 171) = ( 0.0211268 0.0211268 -0.0000000), wk = 0.0026042 k( 172) = ( 0.0140845 0.0140845 0.0000000), wk = 0.0026042 k( 173) = ( 0.0070422 0.0070422 0.0000000), wk = 0.0026042 k( 174) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026042 k( 175) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026042 k( 176) = ( 0.0058140 0.0058140 0.0058140), wk = 0.0026042 k( 177) = ( 0.0116279 0.0116279 0.0116279), wk = 0.0026042 k( 178) = ( 0.0174419 0.0174419 0.0174419), wk = 0.0026042 k( 179) = ( 0.0232558 0.0232558 0.0232558), wk = 0.0026042 k( 180) = ( 0.0290698 0.0290698 0.0290698), wk = 0.0026042 k( 181) = ( 0.0348837 0.0348837 0.0348837), wk = 0.0026042 k( 182) = ( 0.0406977 0.0406977 0.0406977), wk = 0.0026042 k( 183) = ( 0.0465116 0.0465116 0.0465116), wk = 0.0026042 k( 184) = ( 0.0523256 0.0523256 0.0523256), wk = 0.0026042 k( 185) = ( 0.0581395 0.0581395 0.0581395), wk = 0.0026042 k( 186) = ( 0.0639535 0.0639535 0.0639535), wk = 0.0026042 k( 187) = ( 0.0697674 0.0697674 0.0697674), wk = 0.0026042 k( 188) = ( 0.0755814 0.0755814 0.0755814), wk = 0.0026042 k( 189) = ( 0.0813954 0.0813954 0.0813954), wk = 0.0026042 k( 190) = ( 0.0872093 0.0872093 0.0872093), wk = 0.0026042 k( 191) = ( 0.0930233 0.0930233 0.0930233), wk = 0.0026042 k( 192) = ( 0.0988372 0.0988372 0.0988372), wk = 0.0026042 k( 193) = ( 0.1046512 0.1046512 0.1046512), wk = 0.0026042 k( 194) = ( 0.1104651 0.1104651 0.1104651), wk = 0.0026042 k( 195) = ( 0.1162791 0.1162791 0.1162791), wk = 0.0026042 k( 196) = ( 0.1220930 0.1220930 0.1220930), wk = 0.0026042 k( 197) = ( 0.1279070 0.1279070 0.1279070), wk = 0.0026042 k( 198) = ( 0.1337209 0.1337209 0.1337209), wk = 0.0026042 k( 199) = ( 0.1395349 0.1395349 0.1395349), wk = 0.0026042 k( 200) = ( 0.1453488 0.1453488 0.1453488), wk = 0.0026042 k( 201) = ( 0.1511628 0.1511628 0.1511628), wk = 0.0026042 k( 202) = ( 0.1569767 0.1569767 0.1569767), wk = 0.0026042 k( 203) = ( 0.1627907 0.1627907 0.1627907), wk = 0.0026042 k( 204) = ( 0.1686046 0.1686046 0.1686046), wk = 0.0026042 k( 205) = ( 0.1744186 0.1744186 0.1744186), wk = 0.0026042 k( 206) = ( 0.1802326 0.1802326 0.1802326), wk = 0.0026042 k( 207) = ( 0.1860465 0.1860465 0.1860465), wk = 0.0026042 k( 208) = ( 0.1918605 0.1918605 0.1918605), wk = 0.0026042 k( 209) = ( 0.1976744 0.1976744 0.1976744), wk = 0.0026042 k( 210) = ( 0.2034884 0.2034884 0.2034884), wk = 0.0026042 k( 211) = ( 0.2093023 0.2093023 0.2093023), wk = 0.0026042 k( 212) = ( 0.2151163 0.2151163 0.2151163), wk = 0.0026042 k( 213) = ( 0.2209302 0.2209302 0.2209302), wk = 0.0026042 k( 214) = ( 0.2267442 0.2267442 0.2267442), wk = 0.0026042 k( 215) = ( 0.2325581 0.2325581 0.2325581), wk = 0.0026042 k( 216) = ( 0.2383721 0.2383721 0.2383721), wk = 0.0026042 k( 217) = ( 0.2441860 0.2441860 0.2441860), wk = 0.0026042 k( 218) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0026042 k( 219) = ( 0.2558140 0.2558140 0.2558140), wk = 0.0026042 k( 220) = ( 0.2616279 0.2616279 0.2616279), wk = 0.0026042 k( 221) = ( 0.2674419 0.2674419 0.2674419), wk = 0.0026042 k( 222) = ( 0.2732558 0.2732558 0.2732558), wk = 0.0026042 k( 223) = ( 0.2790698 0.2790698 0.2790698), wk = 0.0026042 k( 224) = ( 0.2848837 0.2848837 0.2848837), wk = 0.0026042 k( 225) = ( 0.2906977 0.2906977 0.2906977), wk = 0.0026042 k( 226) = ( 0.2965116 0.2965116 0.2965116), wk = 0.0026042 k( 227) = ( 0.3023256 0.3023256 0.3023256), wk = 0.0026042 k( 228) = ( 0.3081395 0.3081395 0.3081395), wk = 0.0026042 k( 229) = ( 0.3139535 0.3139535 0.3139535), wk = 0.0026042 k( 230) = ( 0.3197674 0.3197674 0.3197674), wk = 0.0026042 k( 231) = ( 0.3255814 0.3255814 0.3255814), wk = 0.0026042 k( 232) = ( 0.3313953 0.3313953 0.3313953), wk = 0.0026042 k( 233) = ( 0.3372093 0.3372093 0.3372093), wk = 0.0026042 k( 234) = ( 0.3430233 0.3430233 0.3430233), wk = 0.0026042 k( 235) = ( 0.3488372 0.3488372 0.3488372), wk = 0.0026042 k( 236) = ( 0.3546512 0.3546512 0.3546512), wk = 0.0026042 k( 237) = ( 0.3604651 0.3604651 0.3604651), wk = 0.0026042 k( 238) = ( 0.3662791 0.3662791 0.3662791), wk = 0.0026042 k( 239) = ( 0.3720930 0.3720930 0.3720930), wk = 0.0026042 k( 240) = ( 0.3779070 0.3779070 0.3779070), wk = 0.0026042 k( 241) = ( 0.3837209 0.3837209 0.3837209), wk = 0.0026042 k( 242) = ( 0.3895349 0.3895349 0.3895349), wk = 0.0026042 k( 243) = ( 0.3953488 0.3953488 0.3953488), wk = 0.0026042 k( 244) = ( 0.4011628 0.4011628 0.4011628), wk = 0.0026042 k( 245) = ( 0.4069767 0.4069767 0.4069767), wk = 0.0026042 k( 246) = ( 0.4127907 0.4127907 0.4127907), wk = 0.0026042 k( 247) = ( 0.4186047 0.4186047 0.4186047), wk = 0.0026042 k( 248) = ( 0.4244186 0.4244186 0.4244186), wk = 0.0026042 k( 249) = ( 0.4302326 0.4302326 0.4302326), wk = 0.0026042 k( 250) = ( 0.4360465 0.4360465 0.4360465), wk = 0.0026042 k( 251) = ( 0.4418605 0.4418605 0.4418605), wk = 0.0026042 k( 252) = ( 0.4476744 0.4476744 0.4476744), wk = 0.0026042 k( 253) = ( 0.4534884 0.4534884 0.4534884), wk = 0.0026042 k( 254) = ( 0.4593023 0.4593023 0.4593023), wk = 0.0026042 k( 255) = ( 0.4651163 0.4651163 0.4651163), wk = 0.0026042 k( 256) = ( 0.4709302 0.4709302 0.4709302), wk = 0.0026042 k( 257) = ( 0.4767442 0.4767442 0.4767442), wk = 0.0026042 k( 258) = ( 0.4825581 0.4825581 0.4825581), wk = 0.0026042 k( 259) = ( 0.4883721 0.4883721 0.4883721), wk = 0.0026042 k( 260) = ( 0.4941860 0.4941860 0.4941860), wk = 0.0026042 k( 261) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026042 k( 262) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026042 k( 263) = ( 0.4929577 0.5000000 0.4929577), wk = 0.0026042 k( 264) = ( 0.4859155 0.5000000 0.4859155), wk = 0.0026042 k( 265) = ( 0.4788732 0.5000000 0.4788732), wk = 0.0026042 k( 266) = ( 0.4718310 0.5000000 0.4718310), wk = 0.0026042 k( 267) = ( 0.4647887 0.5000000 0.4647887), wk = 0.0026042 k( 268) = ( 0.4577465 0.5000000 0.4577465), wk = 0.0026042 k( 269) = ( 0.4507042 0.5000000 0.4507042), wk = 0.0026042 k( 270) = ( 0.4436620 0.5000000 0.4436620), wk = 0.0026042 k( 271) = ( 0.4366197 0.5000000 0.4366197), wk = 0.0026042 k( 272) = ( 0.4295775 0.5000000 0.4295775), wk = 0.0026042 k( 273) = ( 0.4225352 0.5000000 0.4225352), wk = 0.0026042 k( 274) = ( 0.4154930 0.5000000 0.4154930), wk = 0.0026042 k( 275) = ( 0.4084507 0.5000000 0.4084507), wk = 0.0026042 k( 276) = ( 0.4014085 0.5000000 0.4014085), wk = 0.0026042 k( 277) = ( 0.3943662 0.5000000 0.3943662), wk = 0.0026042 k( 278) = ( 0.3873239 0.5000000 0.3873239), wk = 0.0026042 k( 279) = ( 0.3802817 0.5000000 0.3802817), wk = 0.0026042 k( 280) = ( 0.3732394 0.5000000 0.3732394), wk = 0.0026042 k( 281) = ( 0.3661972 0.5000000 0.3661972), wk = 0.0026042 k( 282) = ( 0.3591549 0.5000000 0.3591549), wk = 0.0026042 k( 283) = ( 0.3521127 0.5000000 0.3521127), wk = 0.0026042 k( 284) = ( 0.3450704 0.5000000 0.3450704), wk = 0.0026042 k( 285) = ( 0.3380282 0.5000000 0.3380282), wk = 0.0026042 k( 286) = ( 0.3309859 0.5000000 0.3309859), wk = 0.0026042 k( 287) = ( 0.3239437 0.5000000 0.3239437), wk = 0.0026042 k( 288) = ( 0.3169014 0.5000000 0.3169014), wk = 0.0026042 k( 289) = ( 0.3098592 0.5000000 0.3098592), wk = 0.0026042 k( 290) = ( 0.3028169 0.5000000 0.3028169), wk = 0.0026042 k( 291) = ( 0.2957746 0.5000000 0.2957746), wk = 0.0026042 k( 292) = ( 0.2887324 0.5000000 0.2887324), wk = 0.0026042 k( 293) = ( 0.2816901 0.5000000 0.2816901), wk = 0.0026042 k( 294) = ( 0.2746479 0.5000000 0.2746479), wk = 0.0026042 k( 295) = ( 0.2676056 0.5000000 0.2676056), wk = 0.0026042 k( 296) = ( 0.2605634 0.5000000 0.2605634), wk = 0.0026042 k( 297) = ( 0.2535211 0.5000000 0.2535211), wk = 0.0026042 k( 298) = ( 0.2464789 0.5000000 0.2464789), wk = 0.0026042 k( 299) = ( 0.2394366 0.5000000 0.2394366), wk = 0.0026042 k( 300) = ( 0.2323944 0.5000000 0.2323944), wk = 0.0026042 k( 301) = ( 0.2253521 0.5000000 0.2253521), wk = 0.0026042 k( 302) = ( 0.2183099 0.5000000 0.2183099), wk = 0.0026042 k( 303) = ( 0.2112676 0.5000000 0.2112676), wk = 0.0026042 k( 304) = ( 0.2042253 0.5000000 0.2042253), wk = 0.0026042 k( 305) = ( 0.1971831 0.5000000 0.1971831), wk = 0.0026042 k( 306) = ( 0.1901409 0.5000000 0.1901409), wk = 0.0026042 k( 307) = ( 0.1830986 0.5000000 0.1830986), wk = 0.0026042 k( 308) = ( 0.1760563 0.5000000 0.1760563), wk = 0.0026042 k( 309) = ( 0.1690141 0.5000000 0.1690141), wk = 0.0026042 k( 310) = ( 0.1619718 0.5000000 0.1619718), wk = 0.0026042 k( 311) = ( 0.1549296 0.5000000 0.1549296), wk = 0.0026042 k( 312) = ( 0.1478873 0.5000000 0.1478873), wk = 0.0026042 k( 313) = ( 0.1408451 0.5000000 0.1408451), wk = 0.0026042 k( 314) = ( 0.1338028 0.5000000 0.1338028), wk = 0.0026042 k( 315) = ( 0.1267606 0.5000000 0.1267606), wk = 0.0026042 k( 316) = ( 0.1197183 0.5000000 0.1197183), wk = 0.0026042 k( 317) = ( 0.1126761 0.5000000 0.1126761), wk = 0.0026042 k( 318) = ( 0.1056338 0.5000000 0.1056338), wk = 0.0026042 k( 319) = ( 0.0985916 0.5000000 0.0985916), wk = 0.0026042 k( 320) = ( 0.0915493 0.5000000 0.0915493), wk = 0.0026042 k( 321) = ( 0.0845070 0.5000000 0.0845070), wk = 0.0026042 k( 322) = ( 0.0774648 0.5000000 0.0774648), wk = 0.0026042 k( 323) = ( 0.0704225 0.5000000 0.0704225), wk = 0.0026042 k( 324) = ( 0.0633803 0.5000000 0.0633803), wk = 0.0026042 k( 325) = ( 0.0563380 0.5000000 0.0563380), wk = 0.0026042 k( 326) = ( 0.0492958 0.5000000 0.0492958), wk = 0.0026042 k( 327) = ( 0.0422535 0.5000000 0.0422535), wk = 0.0026042 k( 328) = ( 0.0352113 0.5000000 0.0352113), wk = 0.0026042 k( 329) = ( 0.0281690 0.5000000 0.0281690), wk = 0.0026042 k( 330) = ( 0.0211268 0.5000000 0.0211268), wk = 0.0026042 k( 331) = ( 0.0140845 0.5000000 0.0140845), wk = 0.0026042 k( 332) = ( 0.0070422 0.5000000 0.0070422), wk = 0.0026042 k( 333) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026042 k( 334) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0026042 k( 335) = ( 0.5000000 0.5000000 0.0100000), wk = 0.0026042 k( 336) = ( 0.5000000 0.5000000 0.0200000), wk = 0.0026042 k( 337) = ( 0.5000000 0.5000000 0.0300000), wk = 0.0026042 k( 338) = ( 0.5000000 0.5000000 0.0400000), wk = 0.0026042 k( 339) = ( 0.5000000 0.5000000 0.0500000), wk = 0.0026042 k( 340) = ( 0.5000000 0.5000000 0.0600000), wk = 0.0026042 k( 341) = ( 0.5000000 0.5000000 0.0700000), wk = 0.0026042 k( 342) = ( 0.5000000 0.5000000 0.0800000), wk = 0.0026042 k( 343) = ( 0.5000000 0.5000000 0.0900000), wk = 0.0026042 k( 344) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0026042 k( 345) = ( 0.5000000 0.5000000 0.1100000), wk = 0.0026042 k( 346) = ( 0.5000000 0.5000000 0.1200000), wk = 0.0026042 k( 347) = ( 0.5000000 0.5000000 0.1300000), wk = 0.0026042 k( 348) = ( 0.5000000 0.5000000 0.1400000), wk = 0.0026042 k( 349) = ( 0.5000000 0.5000000 0.1500000), wk = 0.0026042 k( 350) = ( 0.5000000 0.5000000 0.1600000), wk = 0.0026042 k( 351) = ( 0.5000000 0.5000000 0.1700000), wk = 0.0026042 k( 352) = ( 0.5000000 0.5000000 0.1800000), wk = 0.0026042 k( 353) = ( 0.5000000 0.5000000 0.1900000), wk = 0.0026042 k( 354) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0026042 k( 355) = ( 0.5000000 0.5000000 0.2100000), wk = 0.0026042 k( 356) = ( 0.5000000 0.5000000 0.2200000), wk = 0.0026042 k( 357) = ( 0.5000000 0.5000000 0.2300000), wk = 0.0026042 k( 358) = ( 0.5000000 0.5000000 0.2400000), wk = 0.0026042 k( 359) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0026042 k( 360) = ( 0.5000000 0.5000000 0.2600000), wk = 0.0026042 k( 361) = ( 0.5000000 0.5000000 0.2700000), wk = 0.0026042 k( 362) = ( 0.5000000 0.5000000 0.2800000), wk = 0.0026042 k( 363) = ( 0.5000000 0.5000000 0.2900000), wk = 0.0026042 k( 364) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0026042 k( 365) = ( 0.5000000 0.5000000 0.3100000), wk = 0.0026042 k( 366) = ( 0.5000000 0.5000000 0.3200000), wk = 0.0026042 k( 367) = ( 0.5000000 0.5000000 0.3300000), wk = 0.0026042 k( 368) = ( 0.5000000 0.5000000 0.3400000), wk = 0.0026042 k( 369) = ( 0.5000000 0.5000000 0.3500000), wk = 0.0026042 k( 370) = ( 0.5000000 0.5000000 0.3600000), wk = 0.0026042 k( 371) = ( 0.5000000 0.5000000 0.3700000), wk = 0.0026042 k( 372) = ( 0.5000000 0.5000000 0.3800000), wk = 0.0026042 k( 373) = ( 0.5000000 0.5000000 0.3900000), wk = 0.0026042 k( 374) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0026042 k( 375) = ( 0.5000000 0.5000000 0.4100000), wk = 0.0026042 k( 376) = ( 0.5000000 0.5000000 0.4200000), wk = 0.0026042 k( 377) = ( 0.5000000 0.5000000 0.4300000), wk = 0.0026042 k( 378) = ( 0.5000000 0.5000000 0.4400000), wk = 0.0026042 k( 379) = ( 0.5000000 0.5000000 0.4500000), wk = 0.0026042 k( 380) = ( 0.5000000 0.5000000 0.4600000), wk = 0.0026042 k( 381) = ( 0.5000000 0.5000000 0.4700000), wk = 0.0026042 k( 382) = ( 0.5000000 0.5000000 0.4800000), wk = 0.0026042 k( 383) = ( 0.5000000 0.5000000 0.4900000), wk = 0.0026042 k( 384) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026042 Dense grid: 13517 G-vectors FFT dimensions: ( 30, 30, 30) Smooth grid: 9045 G-vectors FFT dimensions: ( 25, 25, 25) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.04 Mb ( 72, 32) NL pseudopotentials 0.04 Mb ( 36, 68) Each V/rho on FFT grid 0.01 Mb ( 900) Each G-vector array 0.00 Mb ( 377) G-vector shells 0.00 Mb ( 117) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.14 Mb ( 72, 128) Each subspace H/S matrix 0.02 Mb ( 32, 32) Each matrix 0.07 Mb ( 68, 2, 32) The potential is recalculated from file : ./GaAg.save/charge-density.dat Starting wfc are 36 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.0 secs Computing kpt #: 2 total cpu time spent up to now is 2.2 secs Computing kpt #: 3 total cpu time spent up to now is 2.3 secs Computing kpt #: 4 total cpu time spent up to now is 2.4 secs Computing kpt #: 5 total cpu time spent up to now is 2.6 secs Computing kpt #: 6 total cpu time spent up to now is 2.7 secs Computing kpt #: 7 total cpu time spent up to now is 2.8 secs Computing kpt #: 8 total cpu time spent up to now is 2.9 secs Computing kpt #: 9 total cpu time spent up to now is 3.0 secs Computing kpt #: 10 total cpu time spent up to now is 3.1 secs Computing kpt #: 11 total cpu time spent up to now is 3.2 secs Computing kpt #: 12 total cpu time spent up to now is 3.3 secs Computing kpt #: 13 total cpu time spent up to now is 3.4 secs Computing kpt #: 14 total cpu time spent up to now is 3.5 secs Computing kpt #: 15 total cpu time spent up to now is 3.6 secs Computing kpt #: 16 total cpu time spent up to now is 3.7 secs Computing kpt #: 17 total cpu time spent up to now is 3.8 secs Computing kpt #: 18 total cpu time spent up to now is 3.9 secs Computing kpt #: 19 total cpu time spent up to now is 4.0 secs Computing kpt #: 20 total cpu time spent up to now is 4.1 secs Computing kpt #: 21 total cpu time spent up to now is 4.2 secs Computing kpt #: 22 total cpu time spent up to now is 4.3 secs Computing kpt #: 23 total cpu time spent up to now is 4.4 secs Computing kpt #: 24 total cpu time spent up to now is 4.6 secs Computing kpt #: 25 total cpu time spent up to now is 4.6 secs Computing kpt #: 26 total cpu time spent up to now is 4.7 secs Computing kpt #: 27 total cpu time spent up to now is 4.8 secs Computing kpt #: 28 total cpu time spent up to now is 4.9 secs Computing kpt #: 29 total cpu time spent up to now is 5.0 secs Computing kpt #: 30 total cpu time spent up to now is 5.1 secs Computing kpt #: 31 total cpu time spent up to now is 5.2 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 6.0 secs Computing kpt #: 40 total cpu time spent up to now is 6.1 secs Computing kpt #: 41 total cpu time spent up to now is 6.2 secs Computing kpt #: 42 total cpu time spent up to now is 6.3 secs Computing kpt #: 43 total cpu time spent up to now is 6.5 secs Computing kpt #: 44 total cpu time spent up to now is 6.6 secs Computing kpt #: 45 total cpu time spent up to now is 6.7 secs Computing kpt #: 46 total cpu time spent up to now is 6.8 secs Computing kpt #: 47 total cpu time spent up to now is 6.9 secs Computing kpt #: 48 total cpu time spent up to now is 7.1 secs Computing kpt #: 49 total cpu time spent up to now is 7.2 secs Computing kpt #: 50 total cpu time spent up to now is 7.3 secs Computing kpt #: 51 total cpu time spent up to now is 7.4 secs Computing kpt #: 52 total cpu time spent up to now is 7.6 secs Computing kpt #: 53 total cpu time spent up to now is 7.7 secs Computing kpt #: 54 total cpu time spent up to now is 7.8 secs Computing kpt #: 55 total cpu time spent up to now is 7.9 secs Computing kpt #: 56 total cpu time spent up to now is 8.0 secs Computing kpt #: 57 total cpu time spent up to now is 8.2 secs Computing kpt #: 58 total cpu time spent up to now is 8.3 secs Computing kpt #: 59 total cpu time spent up to now is 8.4 secs Computing kpt #: 60 total cpu time spent up to now is 8.5 secs Computing kpt #: 61 total cpu time spent up to now is 8.6 secs Computing kpt #: 62 total cpu time spent up to now is 8.7 secs Computing kpt #: 63 total cpu time spent up to now is 8.9 secs Computing kpt #: 64 total cpu time spent up to now is 9.0 secs Computing kpt #: 65 total cpu time spent up to now is 9.1 secs Computing kpt #: 66 total cpu time spent up to now is 9.2 secs Computing kpt #: 67 total cpu time spent up to now is 9.3 secs Computing kpt #: 68 total cpu time spent up to now is 9.4 secs Computing kpt #: 69 total cpu time spent up to now is 9.5 secs Computing kpt #: 70 total cpu time spent up to now is 9.6 secs Computing kpt #: 71 total cpu time spent up to now is 9.7 secs Computing kpt #: 72 total cpu time spent up to now is 9.8 secs Computing kpt #: 73 total cpu time spent up to now is 9.9 secs Computing kpt #: 74 total cpu time spent up to now is 10.0 secs Computing kpt #: 75 total cpu time spent up to now is 10.1 secs Computing kpt #: 76 total cpu time spent up to now is 10.2 secs Computing kpt #: 77 total cpu time spent up to now is 10.3 secs Computing kpt #: 78 total cpu time spent up to now is 10.4 secs Computing kpt #: 79 total cpu time spent up to now is 10.5 secs Computing kpt #: 80 total cpu time spent up to now is 10.6 secs Computing kpt #: 81 total cpu time spent up to now is 10.7 secs Computing kpt #: 82 total cpu time spent up to now is 10.8 secs Computing kpt #: 83 total cpu time spent up to now is 10.9 secs Computing kpt #: 84 total cpu time spent up to now is 11.0 secs Computing kpt #: 85 total cpu time spent up to now is 11.1 secs Computing kpt #: 86 total cpu time spent up to now is 11.2 secs Computing kpt #: 87 total cpu time spent up to now is 11.3 secs Computing kpt #: 88 total cpu time spent up to now is 11.4 secs Computing kpt #: 89 total cpu time spent up to now is 11.5 secs Computing kpt #: 90 total cpu time spent up to now is 11.6 secs Computing kpt #: 91 total cpu time spent up to now is 11.8 secs Computing kpt #: 92 total cpu time spent up to now is 11.9 secs Computing kpt #: 93 total cpu time spent up to now is 12.0 secs Computing kpt #: 94 total cpu time spent up to now is 12.1 secs Computing kpt #: 95 total cpu time spent up to now is 12.3 secs Computing kpt #: 96 total cpu time spent up to now is 12.4 secs Computing kpt #: 97 total cpu time spent up to now is 12.5 secs Computing kpt #: 98 total cpu time spent up to now is 12.6 secs Computing kpt #: 99 total cpu time spent up to now is 12.7 secs Computing kpt #: 100 total cpu time spent up to now is 12.8 secs Computing kpt #: 101 total cpu time spent up to now is 13.0 secs Computing kpt #: 102 total cpu time spent up to now is 13.1 secs Computing kpt #: 103 total cpu time spent up to now is 13.2 secs Computing kpt #: 104 total cpu time spent up to now is 13.3 secs Computing kpt #: 105 total cpu time spent up to now is 13.4 secs Computing kpt #: 106 total cpu time spent up to now is 13.5 secs Computing kpt #: 107 total cpu time spent up to now is 13.6 secs Computing kpt #: 108 total cpu time spent up to now is 13.8 secs Computing kpt #: 109 total cpu time spent up to now is 13.9 secs Computing kpt #: 110 total cpu time spent up to now is 14.0 secs Computing kpt #: 111 total cpu time spent up to now is 14.1 secs Computing kpt #: 112 total cpu time spent up to now is 14.2 secs Computing kpt #: 113 total cpu time spent up to now is 14.3 secs Computing kpt #: 114 total cpu time spent up to now is 14.4 secs Computing kpt #: 115 total cpu time spent up to now is 14.5 secs Computing kpt #: 116 total cpu time spent up to now is 14.6 secs Computing kpt #: 117 total cpu time spent up to now is 14.7 secs Computing kpt #: 118 total cpu time spent up to now is 14.8 secs Computing kpt #: 119 total cpu time spent up to now is 14.9 secs Computing kpt #: 120 total cpu time spent up to now is 15.0 secs Computing kpt #: 121 total cpu time spent up to now is 15.1 secs Computing kpt #: 122 total cpu time spent up to now is 15.2 secs Computing kpt #: 123 total cpu time spent up to now is 15.3 secs Computing kpt #: 124 total cpu time spent up to now is 15.4 secs Computing kpt #: 125 total cpu time spent up to now is 15.5 secs Computing kpt #: 126 total cpu time spent up to now is 15.6 secs Computing kpt #: 127 total cpu time spent up to now is 15.7 secs Computing kpt #: 128 total cpu time spent up to now is 15.8 secs Computing kpt #: 129 total cpu time spent up to now is 15.9 secs Computing kpt #: 130 total cpu time spent up to now is 16.0 secs Computing kpt #: 131 total cpu time spent up to now is 16.1 secs Computing kpt #: 132 total cpu time spent up to now is 16.2 secs Computing kpt #: 133 total cpu time spent up to now is 16.3 secs Computing kpt #: 134 total cpu time spent up to now is 16.4 secs Computing kpt #: 135 total cpu time spent up to now is 16.5 secs Computing kpt #: 136 total cpu time spent up to now is 16.6 secs Computing kpt #: 137 total cpu time spent up to now is 16.7 secs Computing kpt #: 138 total cpu time spent up to now is 16.8 secs Computing kpt #: 139 total cpu time spent up to now is 16.9 secs Computing kpt #: 140 total cpu time spent up to now is 17.0 secs Computing kpt #: 141 total cpu time spent up to now is 17.1 secs Computing kpt #: 142 total cpu time spent up to now is 17.2 secs Computing kpt #: 143 total cpu time spent up to now is 17.3 secs Computing kpt #: 144 total cpu time spent up to now is 17.4 secs Computing kpt #: 145 total cpu time spent up to now is 17.5 secs Computing kpt #: 146 total cpu time spent up to now is 17.6 secs Computing kpt #: 147 total cpu time spent up to now is 17.7 secs Computing kpt #: 148 total cpu time spent up to now is 17.8 secs Computing kpt #: 149 total cpu time spent up to now is 18.0 secs Computing kpt #: 150 total cpu time spent up to now is 18.1 secs Computing kpt #: 151 total cpu time spent up to now is 18.3 secs Computing kpt #: 152 total cpu time spent up to now is 18.4 secs Computing kpt #: 153 total cpu time spent up to now is 18.6 secs Computing kpt #: 154 total cpu time spent up to now is 18.7 secs Computing kpt #: 155 total cpu time spent up to now is 18.8 secs Computing kpt #: 156 total cpu time spent up to now is 18.9 secs Computing kpt #: 157 total cpu time spent up to now is 19.1 secs Computing kpt #: 158 total cpu time spent up to now is 19.2 secs Computing kpt #: 159 total cpu time spent up to now is 19.3 secs Computing kpt #: 160 total cpu time spent up to now is 19.4 secs Computing kpt #: 161 total cpu time spent up to now is 19.5 secs Computing kpt #: 162 total cpu time spent up to now is 19.6 secs Computing kpt #: 163 total cpu time spent up to now is 19.7 secs Computing kpt #: 164 total cpu time spent up to now is 19.9 secs Computing kpt #: 165 total cpu time spent up to now is 20.0 secs Computing kpt #: 166 total cpu time spent up to now is 20.1 secs Computing kpt #: 167 total cpu time spent up to now is 20.2 secs Computing kpt #: 168 total cpu time spent up to now is 20.3 secs Computing kpt #: 169 total cpu time spent up to now is 20.4 secs Computing kpt #: 170 total cpu time spent up to now is 20.6 secs Computing kpt #: 171 total cpu time spent up to now is 20.7 secs Computing kpt #: 172 total cpu time spent up to now is 20.8 secs Computing kpt #: 173 total cpu time spent up to now is 20.9 secs Computing kpt #: 174 total cpu time spent up to now is 21.0 secs Computing kpt #: 175 total cpu time spent up to now is 21.1 secs Computing kpt #: 176 total cpu time spent up to now is 21.2 secs Computing kpt #: 177 total cpu time spent up to now is 21.3 secs Computing kpt #: 178 total cpu time spent up to now is 21.4 secs Computing kpt #: 179 total cpu time spent up to now is 21.6 secs Computing kpt #: 180 total cpu time spent up to now is 21.7 secs Computing kpt #: 181 total cpu time spent up to now is 21.8 secs Computing kpt #: 182 total cpu time spent up to now is 22.0 secs Computing kpt #: 183 total cpu time spent up to now is 22.1 secs Computing kpt #: 184 total cpu time spent up to now is 22.2 secs Computing kpt #: 185 total cpu time spent up to now is 22.4 secs Computing kpt #: 186 total cpu time spent up to now is 22.5 secs Computing kpt #: 187 total cpu time spent up to now is 22.6 secs Computing kpt #: 188 total cpu time spent up to now is 22.8 secs Computing kpt #: 189 total cpu time spent up to now is 22.9 secs Computing kpt #: 190 total cpu time spent up to now is 23.1 secs Computing kpt #: 191 total cpu time spent up to now is 23.2 secs Computing kpt #: 192 total cpu time spent up to now is 23.3 secs Computing kpt #: 193 total cpu time spent up to now is 23.5 secs Computing kpt #: 194 total cpu time spent up to now is 23.6 secs Computing kpt #: 195 total cpu time spent up to now is 23.8 secs Computing kpt #: 196 total cpu time spent up to now is 23.9 secs Computing kpt #: 197 total cpu time spent up to now is 24.1 secs Computing kpt #: 198 total cpu time spent up to now is 24.2 secs Computing kpt #: 199 total cpu time spent up to now is 24.4 secs Computing kpt #: 200 total cpu time spent up to now is 24.5 secs Computing kpt #: 201 total cpu time spent up to now is 24.7 secs Computing kpt #: 202 total cpu time spent up to now is 24.8 secs Computing kpt #: 203 total cpu time spent up to now is 25.0 secs Computing kpt #: 204 total cpu time spent up to now is 25.1 secs Computing kpt #: 205 total cpu time spent up to now is 25.3 secs Computing kpt #: 206 total cpu time spent up to now is 25.4 secs Computing kpt #: 207 total cpu time spent up to now is 25.6 secs Computing kpt #: 208 total cpu time spent up to now is 25.7 secs Computing kpt #: 209 total cpu time spent up to now is 25.8 secs Computing kpt #: 210 total cpu time spent up to now is 25.9 secs Computing kpt #: 211 total cpu time spent up to now is 26.1 secs Computing kpt #: 212 total cpu time spent up to now is 26.2 secs Computing kpt #: 213 total cpu time spent up to now is 26.3 secs Computing kpt #: 214 total cpu time spent up to now is 26.4 secs Computing kpt #: 215 total cpu time spent up to now is 26.5 secs Computing kpt #: 216 total cpu time spent up to now is 26.6 secs Computing kpt #: 217 total cpu time spent up to now is 26.7 secs Computing kpt #: 218 total cpu time spent up to now is 26.8 secs Computing kpt #: 219 total cpu time spent up to now is 26.9 secs Computing kpt #: 220 total cpu time spent up to now is 27.1 secs Computing kpt #: 221 total cpu time spent up to now is 27.2 secs Computing kpt #: 222 total cpu time spent up to now is 27.3 secs Computing kpt #: 223 total cpu time spent up to now is 27.4 secs Computing kpt #: 224 total cpu time spent up to now is 27.5 secs Computing kpt #: 225 total cpu time spent up to now is 27.5 secs Computing kpt #: 226 total cpu time spent up to now is 27.6 secs Computing kpt #: 227 total cpu time spent up to now is 27.7 secs Computing kpt #: 228 total cpu time spent up to now is 27.8 secs Computing kpt #: 229 total cpu time spent up to now is 27.9 secs Computing kpt #: 230 total cpu time spent up to now is 28.0 secs Computing kpt #: 231 total cpu time spent up to now is 28.1 secs Computing kpt #: 232 total cpu time spent up to now is 28.2 secs Computing kpt #: 233 total cpu time spent up to now is 28.3 secs Computing kpt #: 234 total cpu time spent up to now is 28.4 secs Computing kpt #: 235 total cpu time spent up to now is 28.5 secs Computing kpt #: 236 total cpu time spent up to now is 28.6 secs Computing kpt #: 237 total cpu time spent up to now is 28.7 secs Computing kpt #: 238 total cpu time spent up to now is 28.8 secs Computing kpt #: 239 total cpu time spent up to now is 28.9 secs Computing kpt #: 240 total cpu time spent up to now is 29.0 secs Computing kpt #: 241 total cpu time spent up to now is 29.1 secs Computing kpt #: 242 total cpu time spent up to now is 29.2 secs Computing kpt #: 243 total cpu time spent up to now is 29.3 secs Computing kpt #: 244 total cpu time spent up to now is 29.4 secs Computing kpt #: 245 total cpu time spent up to now is 29.5 secs Computing kpt #: 246 total cpu time spent up to now is 29.6 secs Computing kpt #: 247 total cpu time spent up to now is 29.7 secs Computing kpt #: 248 total cpu time spent up to now is 29.8 secs Computing kpt #: 249 total cpu time spent up to now is 29.9 secs Computing kpt #: 250 total cpu time spent up to now is 30.0 secs Computing kpt #: 251 total cpu time spent up to now is 30.1 secs Computing kpt #: 252 total cpu time spent up to now is 30.2 secs Computing kpt #: 253 total cpu time spent up to now is 30.3 secs Computing kpt #: 254 total cpu time spent up to now is 30.4 secs Computing kpt #: 255 total cpu time spent up to now is 30.5 secs Computing kpt #: 256 total cpu time spent up to now is 30.7 secs Computing kpt #: 257 total cpu time spent up to now is 30.8 secs Computing kpt #: 258 total cpu time spent up to now is 30.9 secs Computing kpt #: 259 total cpu time spent up to now is 31.0 secs Computing kpt #: 260 total cpu time spent up to now is 31.1 secs Computing kpt #: 261 total cpu time spent up to now is 31.2 secs Computing kpt #: 262 total cpu time spent up to now is 31.3 secs Computing kpt #: 263 total cpu time spent up to now is 31.4 secs Computing kpt #: 264 total cpu time spent up to now is 31.5 secs Computing kpt #: 265 total cpu time spent up to now is 31.6 secs Computing kpt #: 266 total cpu time spent up to now is 31.7 secs Computing kpt #: 267 total cpu time spent up to now is 31.8 secs Computing kpt #: 268 total cpu time spent up to now is 31.9 secs Computing kpt #: 269 total cpu time spent up to now is 32.0 secs Computing kpt #: 270 total cpu time spent up to now is 32.1 secs Computing kpt #: 271 total cpu time spent up to now is 32.2 secs Computing kpt #: 272 total cpu time spent up to now is 32.3 secs Computing kpt #: 273 total cpu time spent up to now is 32.4 secs Computing kpt #: 274 total cpu time spent up to now is 32.5 secs Computing kpt #: 275 total cpu time spent up to now is 32.6 secs Computing kpt #: 276 total cpu time spent up to now is 32.7 secs Computing kpt #: 277 total cpu time spent up to now is 32.8 secs Computing kpt #: 278 total cpu time spent up to now is 32.9 secs Computing kpt #: 279 total cpu time spent up to now is 32.9 secs Computing kpt #: 280 total cpu time spent up to now is 33.0 secs Computing kpt #: 281 total cpu time spent up to now is 33.1 secs Computing kpt #: 282 total cpu time spent up to now is 33.2 secs Computing kpt #: 283 total cpu time spent up to now is 33.3 secs Computing kpt #: 284 total cpu time spent up to now is 33.4 secs Computing kpt #: 285 total cpu time spent up to now is 33.5 secs Computing kpt #: 286 total cpu time spent up to now is 33.6 secs Computing kpt #: 287 total cpu time spent up to now is 33.7 secs Computing kpt #: 288 total cpu time spent up to now is 33.8 secs Computing kpt #: 289 total cpu time spent up to now is 33.9 secs Computing kpt #: 290 total cpu time spent up to now is 34.0 secs Computing kpt #: 291 total cpu time spent up to now is 34.1 secs Computing kpt #: 292 total cpu time spent up to now is 34.2 secs Computing kpt #: 293 total cpu time spent up to now is 34.3 secs Computing kpt #: 294 total cpu time spent up to now is 34.3 secs Computing kpt #: 295 total cpu time spent up to now is 34.4 secs Computing kpt #: 296 total cpu time spent up to now is 34.5 secs Computing kpt #: 297 total cpu time spent up to now is 34.6 secs Computing kpt #: 298 total cpu time spent up to now is 34.7 secs Computing kpt #: 299 total cpu time spent up to now is 34.8 secs Computing kpt #: 300 total cpu time spent up to now is 34.9 secs Computing kpt #: 301 total cpu time spent up to now is 35.0 secs Computing kpt #: 302 total cpu time spent up to now is 35.1 secs Computing kpt #: 303 total cpu time spent up to now is 35.2 secs Computing kpt #: 304 total cpu time spent up to now is 35.3 secs Computing kpt #: 305 total cpu time spent up to now is 35.4 secs Computing kpt #: 306 total cpu time spent up to now is 35.5 secs Computing kpt #: 307 total cpu time spent up to now is 35.5 secs Computing kpt #: 308 total cpu time spent up to now is 35.6 secs Computing kpt #: 309 total cpu time spent up to now is 35.7 secs Computing kpt #: 310 total cpu time spent up to now is 35.8 secs Computing kpt #: 311 total cpu time spent up to now is 35.9 secs Computing kpt #: 312 total cpu time spent up to now is 36.0 secs Computing kpt #: 313 total cpu time spent up to now is 36.1 secs Computing kpt #: 314 total cpu time spent up to now is 36.2 secs Computing kpt #: 315 total cpu time spent up to now is 36.3 secs Computing kpt #: 316 total cpu time spent up to now is 36.4 secs Computing kpt #: 317 total cpu time spent up to now is 36.5 secs Computing kpt #: 318 total cpu time spent up to now is 36.6 secs Computing kpt #: 319 total cpu time spent up to now is 36.7 secs Computing kpt #: 320 total cpu time spent up to now is 36.8 secs Computing kpt #: 321 total cpu time spent up to now is 36.9 secs Computing kpt #: 322 total cpu time spent up to now is 37.0 secs Computing kpt #: 323 total cpu time spent up to now is 37.2 secs Computing kpt #: 324 total cpu time spent up to now is 37.3 secs Computing kpt #: 325 total cpu time spent up to now is 37.4 secs Computing kpt #: 326 total cpu time spent up to now is 37.6 secs Computing kpt #: 327 total cpu time spent up to now is 37.7 secs Computing kpt #: 328 total cpu time spent up to now is 37.8 secs Computing kpt #: 329 total cpu time spent up to now is 38.0 secs Computing kpt #: 330 total cpu time spent up to now is 38.1 secs Computing kpt #: 331 total cpu time spent up to now is 38.2 secs Computing kpt #: 332 total cpu time spent up to now is 38.3 secs Computing kpt #: 333 total cpu time spent up to now is 38.4 secs Computing kpt #: 334 total cpu time spent up to now is 38.6 secs Computing kpt #: 335 total cpu time spent up to now is 38.7 secs Computing kpt #: 336 total cpu time spent up to now is 38.8 secs Computing kpt #: 337 total cpu time spent up to now is 38.9 secs Computing kpt #: 338 total cpu time spent up to now is 39.0 secs Computing kpt #: 339 total cpu time spent up to now is 39.1 secs Computing kpt #: 340 total cpu time spent up to now is 39.2 secs Computing kpt #: 341 total cpu time spent up to now is 39.4 secs Computing kpt #: 342 total cpu time spent up to now is 39.5 secs Computing kpt #: 343 total cpu time spent up to now is 39.6 secs Computing kpt #: 344 total cpu time spent up to now is 39.7 secs Computing kpt #: 345 total cpu time spent up to now is 39.8 secs Computing kpt #: 346 total cpu time spent up to now is 39.9 secs Computing kpt #: 347 total cpu time spent up to now is 40.0 secs Computing kpt #: 348 total cpu time spent up to now is 40.2 secs Computing kpt #: 349 total cpu time spent up to now is 40.3 secs Computing kpt #: 350 total cpu time spent up to now is 40.4 secs Computing kpt #: 351 total cpu time spent up to now is 40.5 secs Computing kpt #: 352 total cpu time spent up to now is 40.6 secs Computing kpt #: 353 total cpu time spent up to now is 40.7 secs Computing kpt #: 354 total cpu time spent up to now is 40.8 secs Computing kpt #: 355 total cpu time spent up to now is 40.9 secs Computing kpt #: 356 total cpu time spent up to now is 41.0 secs Computing kpt #: 357 total cpu time spent up to now is 41.1 secs Computing kpt #: 358 total cpu time spent up to now is 41.2 secs Computing kpt #: 359 total cpu time spent up to now is 41.3 secs Computing kpt #: 360 total cpu time spent up to now is 41.4 secs Computing kpt #: 361 total cpu time spent up to now is 41.5 secs Computing kpt #: 362 total cpu time spent up to now is 41.7 secs Computing kpt #: 363 total cpu time spent up to now is 41.8 secs Computing kpt #: 364 total cpu time spent up to now is 41.9 secs Computing kpt #: 365 total cpu time spent up to now is 42.0 secs Computing kpt #: 366 total cpu time spent up to now is 42.1 secs Computing kpt #: 367 total cpu time spent up to now is 42.1 secs Computing kpt #: 368 total cpu time spent up to now is 42.2 secs Computing kpt #: 369 total cpu time spent up to now is 42.3 secs Computing kpt #: 370 total cpu time spent up to now is 42.4 secs Computing kpt #: 371 total cpu time spent up to now is 42.5 secs Computing kpt #: 372 total cpu time spent up to now is 42.6 secs Computing kpt #: 373 total cpu time spent up to now is 42.7 secs Computing kpt #: 374 total cpu time spent up to now is 42.8 secs Computing kpt #: 375 total cpu time spent up to now is 42.9 secs Computing kpt #: 376 total cpu time spent up to now is 43.0 secs Computing kpt #: 377 total cpu time spent up to now is 43.1 secs Computing kpt #: 378 total cpu time spent up to now is 43.2 secs Computing kpt #: 379 total cpu time spent up to now is 43.3 secs Computing kpt #: 380 total cpu time spent up to now is 43.4 secs Computing kpt #: 381 total cpu time spent up to now is 43.5 secs Computing kpt #: 382 total cpu time spent up to now is 43.6 secs Computing kpt #: 383 total cpu time spent up to now is 43.7 secs Computing kpt #: 384 total cpu time spent up to now is 43.8 secs ethr = 4.17E-08, avg # of iterations = 14.0 total cpu time spent up to now is 43.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1141 PWs) bands (ev): -1.8420 -1.8420 -1.8420 -1.8420 -1.3918 -1.3918 -1.3918 -1.3918 -1.3057 -1.3057 2.5093 2.5093 7.2870 7.2870 7.2870 7.2870 8.6604 8.6604 8.6604 8.6604 8.9696 8.9696 16.7711 16.7711 17.1876 17.1876 17.1876 17.1876 21.1018 21.1018 22.8583 22.8583 k = 0.0000 0.0100-0.0000 ( 1141 PWs) bands (ev): -1.8420 -1.8420 -1.8420 -1.8420 -1.3918 -1.3918 -1.3918 -1.3918 -1.3058 -1.3058 2.5109 2.5109 7.2871 7.2871 7.2875 7.2875 8.6596 8.6596 8.6602 8.6602 8.9691 8.9691 16.7677 16.7677 17.1770 17.1770 17.1903 17.1903 21.1116 21.1116 22.8582 22.8582 k = 0.0000 0.0200-0.0000 ( 1149 PWs) bands (ev): -1.8420 -1.8420 -1.8419 -1.8419 -1.3918 -1.3918 -1.3918 -1.3918 -1.3059 -1.3059 2.5157 2.5157 7.2874 7.2874 7.2888 7.2888 8.6571 8.6571 8.6594 8.6594 8.9672 8.9672 16.7552 16.7552 17.1482 17.1482 17.1982 17.1982 21.1401 21.1401 22.8577 22.8577 k = 0.0000 0.0300-0.0000 ( 1157 PWs) bands (ev): -1.8420 -1.8420 -1.8416 -1.8416 -1.3918 -1.3918 -1.3917 -1.3917 -1.3062 -1.3062 2.5236 2.5236 7.2879 7.2879 7.2910 7.2910 8.6530 8.6530 8.6580 8.6580 8.9643 8.9643 16.7268 16.7268 17.1103 17.1103 17.2113 17.2113 21.1841 21.1841 22.8568 22.8568 k = 0.0000 0.0400-0.0000 ( 1157 PWs) bands (ev): -1.8419 -1.8419 -1.8412 -1.8412 -1.3917 -1.3917 -1.3914 -1.3914 -1.3063 -1.3063 2.5348 2.5348 7.2887 7.2887 7.2941 7.2941 8.6475 8.6475 8.6562 8.6562 8.9604 8.9604 16.6719 16.6719 17.0772 17.0772 17.2297 17.2297 21.2396 21.2396 22.8557 22.8557 k = 0.0000 0.0500-0.0000 ( 1157 PWs) bands (ev): -1.8418 -1.8418 -1.8406 -1.8406 -1.3916 -1.3916 -1.3910 -1.3910 -1.3065 -1.3065 2.5491 2.5491 7.2897 7.2897 7.2981 7.2981 8.6405 8.6405 8.6539 8.6539 8.9555 8.9555 16.5827 16.5827 17.0603 17.0603 17.2533 17.2533 21.3019 21.3019 22.8543 22.8543 k = 0.0000 0.0600-0.0000 ( 1157 PWs) bands (ev): -1.8416 -1.8416 -1.8399 -1.8399 -1.3915 -1.3915 -1.3906 -1.3906 -1.3068 -1.3068 2.5666 2.5666 7.2910 7.2910 7.3028 7.3028 8.6320 8.6320 8.6509 8.6509 8.9497 8.9497 16.4608 16.4608 17.0618 17.0618 17.2820 17.2820 21.3666 21.3666 22.8526 22.8526 k = 0.0000 0.0700-0.0000 ( 1149 PWs) bands (ev): -1.8414 -1.8414 -1.8389 -1.8389 -1.3913 -1.3913 -1.3899 -1.3899 -1.3070 -1.3070 2.5873 2.5873 7.2924 7.2924 7.3087 7.3087 8.6222 8.6222 8.6473 8.6473 8.9431 8.9431 16.3134 16.3134 17.0781 17.0781 17.3158 17.3158 21.4303 21.4303 22.8507 22.8507 k = 0.0000 0.0800-0.0000 ( 1149 PWs) bands (ev): -1.8412 -1.8412 -1.8379 -1.8379 -1.3912 -1.3912 -1.3892 -1.3892 -1.3073 -1.3073 2.6111 2.6111 7.2940 7.2940 7.3149 7.3149 8.6110 8.6110 8.6429 8.6429 8.9358 8.9358 16.1472 16.1472 17.1054 17.1054 17.3546 17.3546 21.4908 21.4908 22.8484 22.8484 k = 0.0000 0.0900-0.0000 ( 1153 PWs) bands (ev): -1.8411 -1.8411 -1.8369 -1.8369 -1.3911 -1.3911 -1.3885 -1.3885 -1.3077 -1.3077 2.6381 2.6381 7.2959 7.2959 7.3218 7.3218 8.5985 8.5985 8.6376 8.6376 8.9278 8.9278 15.9672 15.9672 17.1413 17.1413 17.3984 17.3984 21.5468 21.5468 22.8458 22.8458 k = 0.0000 0.1000-0.0000 ( 1153 PWs) bands (ev): -1.8408 -1.8408 -1.8358 -1.8358 -1.3908 -1.3908 -1.3877 -1.3877 -1.3081 -1.3081 2.6682 2.6682 7.2979 7.2979 7.3292 7.3292 8.5848 8.5848 8.6316 8.6316 8.9195 8.9195 15.7773 15.7773 17.1844 17.1844 17.4470 17.4470 21.5982 21.5982 22.8430 22.8430 k = 0.0000 0.1100-0.0000 ( 1141 PWs) bands (ev): -1.8404 -1.8404 -1.8345 -1.8345 -1.3905 -1.3905 -1.3868 -1.3868 -1.3083 -1.3083 2.7015 2.7015 7.3002 7.3002 7.3372 7.3372 8.5701 8.5701 8.6248 8.6248 8.9111 8.9111 15.5800 15.5800 17.2337 17.2337 17.5004 17.5004 21.6450 21.6450 22.8399 22.8399 k = 0.0000 0.1200-0.0000 ( 1145 PWs) bands (ev): -1.8401 -1.8401 -1.8332 -1.8332 -1.3903 -1.3903 -1.3859 -1.3859 -1.3088 -1.3088 2.7379 2.7379 7.3026 7.3026 7.3456 7.3456 8.5541 8.5541 8.6169 8.6169 8.9024 8.9024 15.3774 15.3774 17.2886 17.2886 17.5585 17.5585 21.6880 21.6880 22.8364 22.8364 k = 0.0000 0.1300-0.0000 ( 1145 PWs) bands (ev): -1.8398 -1.8398 -1.8319 -1.8319 -1.3900 -1.3900 -1.3848 -1.3848 -1.3093 -1.3093 2.7774 2.7774 7.3051 7.3051 7.3543 7.3543 8.5373 8.5373 8.6080 8.6080 8.8938 8.8938 15.1711 15.1711 17.3488 17.3488 17.6212 17.6212 21.7277 21.7277 22.8327 22.8327 k = 0.0000 0.1400-0.0000 ( 1141 PWs) bands (ev): -1.8394 -1.8394 -1.8305 -1.8305 -1.3897 -1.3897 -1.3837 -1.3837 -1.3097 -1.3097 2.8200 2.8200 7.3078 7.3078 7.3632 7.3632 8.5196 8.5196 8.5980 8.5980 8.8855 8.8855 14.9623 14.9623 17.4140 17.4140 17.6884 17.6884 21.7649 21.7649 22.8287 22.8287 k = 0.0000 0.1500-0.0000 ( 1141 PWs) bands (ev): -1.8390 -1.8390 -1.8290 -1.8290 -1.3894 -1.3894 -1.3825 -1.3825 -1.3102 -1.3102 2.8656 2.8656 7.3106 7.3106 7.3722 7.3722 8.5010 8.5010 8.5868 8.5868 8.8774 8.8774 14.7522 14.7522 17.4840 17.4840 17.7600 17.7600 21.8003 21.8003 22.8245 22.8245 k = 0.0000 0.1600-0.0000 ( 1137 PWs) bands (ev): -1.8386 -1.8386 -1.8274 -1.8274 -1.3891 -1.3891 -1.3812 -1.3812 -1.3107 -1.3107 2.9144 2.9144 7.3136 7.3136 7.3813 7.3813 8.4819 8.4819 8.5745 8.5745 8.8698 8.8698 14.5416 14.5416 17.5584 17.5584 17.8359 17.8359 21.8343 21.8343 22.8200 22.8200 k = 0.0000 0.1700-0.0000 ( 1137 PWs) bands (ev): -1.8382 -1.8382 -1.8259 -1.8259 -1.3889 -1.3889 -1.3798 -1.3798 -1.3112 -1.3112 2.9661 2.9661 7.3167 7.3167 7.3901 7.3901 8.4620 8.4620 8.5611 8.5611 8.8626 8.8626 14.3313 14.3313 17.6373 17.6373 17.9160 17.9160 21.8673 21.8673 22.8153 22.8153 k = 0.0000 0.1800-0.0000 ( 1137 PWs) bands (ev): -1.8378 -1.8378 -1.8243 -1.8243 -1.3886 -1.3886 -1.3784 -1.3784 -1.3117 -1.3117 3.0209 3.0209 7.3198 7.3198 7.3985 7.3985 8.4417 8.4417 8.5467 8.5467 8.8560 8.8560 14.1218 14.1218 17.7204 17.7204 18.0001 18.0001 21.8999 21.8999 22.8103 22.8103 k = 0.0000 0.1900-0.0000 ( 1141 PWs) bands (ev): -1.8374 -1.8374 -1.8229 -1.8229 -1.3883 -1.3883 -1.3770 -1.3770 -1.3123 -1.3123 3.0787 3.0787 7.3231 7.3231 7.4064 7.4064 8.4208 8.4208 8.5312 8.5312 8.8499 8.8499 13.9137 13.9137 17.8075 17.8075 18.0881 18.0881 21.9324 21.9324 22.8051 22.8051 k = 0.0000 0.2000-0.0000 ( 1133 PWs) bands (ev): -1.8368 -1.8368 -1.8212 -1.8212 -1.3879 -1.3879 -1.3754 -1.3754 -1.3127 -1.3127 3.1395 3.1395 7.3267 7.3267 7.4137 7.4137 8.3997 8.3997 8.5149 8.5149 8.8444 8.8444 13.7075 13.7075 17.8986 17.8986 18.1800 18.1800 21.9650 21.9650 22.8000 22.8000 k = 0.0000 0.2100-0.0000 ( 1141 PWs) bands (ev): -1.8364 -1.8364 -1.8198 -1.8198 -1.3877 -1.3877 -1.3738 -1.3738 -1.3134 -1.3134 3.2032 3.2032 7.3300 7.3300 7.4201 7.4201 8.3782 8.3782 8.4978 8.4978 8.8394 8.8394 13.5038 13.5038 17.9935 17.9935 18.2756 18.2756 21.9980 21.9980 22.7943 22.7943 k = 0.0000 0.2200-0.0000 ( 1141 PWs) bands (ev): -1.8360 -1.8360 -1.8182 -1.8182 -1.3874 -1.3874 -1.3721 -1.3721 -1.3139 -1.3139 3.2698 3.2698 7.3334 7.3334 7.4255 7.4255 8.3564 8.3564 8.4800 8.4800 8.8350 8.8350 13.3030 13.3030 18.0921 18.0921 18.3748 18.3748 22.0316 22.0316 22.7886 22.7886 k = 0.0000 0.2300-0.0000 ( 1141 PWs) bands (ev): -1.8356 -1.8356 -1.8167 -1.8167 -1.3872 -1.3872 -1.3704 -1.3704 -1.3144 -1.3144 3.3393 3.3393 7.3369 7.3369 7.4296 7.4296 8.3345 8.3345 8.4618 8.4618 8.8310 8.8310 13.1054 13.1054 18.1943 18.1943 18.4775 18.4775 22.0659 22.0659 22.7827 22.7827 k = 0.0000 0.2400-0.0000 ( 1141 PWs) bands (ev): -1.8351 -1.8351 -1.8152 -1.8152 -1.3869 -1.3869 -1.3686 -1.3686 -1.3149 -1.3149 3.4116 3.4116 7.3404 7.3404 7.4322 7.4322 8.3124 8.3124 8.4431 8.4431 8.8276 8.8276 12.9115 12.9115 18.2999 18.2999 18.5835 18.5835 22.1012 22.1012 22.7766 22.7766 k = 0.0000 0.2500-0.0000 ( 1141 PWs) bands (ev): -1.8347 -1.8347 -1.8138 -1.8138 -1.3867 -1.3867 -1.3668 -1.3668 -1.3154 -1.3154 3.4867 3.4867 7.3438 7.3438 7.4331 7.4331 8.2902 8.2902 8.4242 8.4242 8.8246 8.8246 12.7217 12.7217 18.4088 18.4088 18.6928 18.6928 22.1375 22.1375 22.7705 22.7705 k = 0.0000 0.2600-0.0000 ( 1141 PWs) bands (ev): -1.8342 -1.8342 -1.8124 -1.8124 -1.3865 -1.3865 -1.3650 -1.3650 -1.3158 -1.3158 3.5646 3.5646 7.3473 7.3473 7.4320 7.4320 8.2678 8.2678 8.4051 8.4051 8.8219 8.8219 12.5364 12.5364 18.5208 18.5208 18.8051 18.8051 22.1750 22.1750 22.7642 22.7642 k = 0.0000 0.2700-0.0000 ( 1145 PWs) bands (ev): -1.8338 -1.8338 -1.8111 -1.8111 -1.3863 -1.3863 -1.3632 -1.3632 -1.3163 -1.3163 3.6452 3.6452 7.3507 7.3507 7.4286 7.4286 8.2453 8.2453 8.3860 8.3860 8.8195 8.8195 12.3560 12.3560 18.6359 18.6359 18.9205 18.9205 22.2136 22.2136 22.7579 22.7579 k = 0.0000 0.2800-0.0000 ( 1145 PWs) bands (ev): -1.8334 -1.8334 -1.8098 -1.8098 -1.3861 -1.3861 -1.3613 -1.3613 -1.3167 -1.3167 3.7284 3.7284 7.3541 7.3541 7.4227 7.4227 8.2227 8.2227 8.3671 8.3671 8.8175 8.8175 12.1810 12.1810 18.7539 18.7539 19.0386 19.0386 22.2536 22.2536 22.7515 22.7515 k = 0.0000 0.2900-0.0000 ( 1145 PWs) bands (ev): -1.8329 -1.8329 -1.8085 -1.8085 -1.3860 -1.3860 -1.3594 -1.3594 -1.3171 -1.3171 3.8142 3.8142 7.3574 7.3574 7.4139 7.4139 8.2000 8.2000 8.3483 8.3483 8.8157 8.8157 12.0118 12.0118 18.8747 18.8747 19.1595 19.1595 22.2950 22.2950 22.7451 22.7451 k = 0.0000 0.3000-0.0000 ( 1145 PWs) bands (ev): -1.8325 -1.8325 -1.8074 -1.8074 -1.3858 -1.3858 -1.3575 -1.3575 -1.3175 -1.3175 3.9026 3.9026 7.3606 7.3606 7.4020 7.4020 8.1772 8.1772 8.3298 8.3298 8.8142 8.8142 11.8487 11.8487 18.9981 18.9981 19.2830 19.2830 22.3378 22.3378 22.7387 22.7387 k = 0.0000 0.3100-0.0000 ( 1145 PWs) bands (ev): -1.8321 -1.8321 -1.8062 -1.8062 -1.3857 -1.3857 -1.3556 -1.3556 -1.3178 -1.3178 3.9934 3.9934 7.3637 7.3637 7.3865 7.3865 8.1543 8.1543 8.3118 8.3118 8.8129 8.8129 11.6923 11.6923 19.1240 19.1240 19.4088 19.4088 22.3819 22.3819 22.7324 22.7324 k = 0.0000 0.3200-0.0000 ( 1141 PWs) bands (ev): -1.8317 -1.8317 -1.8051 -1.8051 -1.3856 -1.3856 -1.3536 -1.3536 -1.3182 -1.3182 4.0866 4.0866 7.3668 7.3668 7.3672 7.3672 8.1314 8.1314 8.2942 8.2942 8.8117 8.8117 11.5430 11.5430 19.2522 19.2522 19.5368 19.5368 22.4276 22.4276 22.7261 22.7261 k = 0.0000 0.3300-0.0000 ( 1149 PWs) bands (ev): -1.8314 -1.8314 -1.8042 -1.8042 -1.3856 -1.3856 -1.3519 -1.3519 -1.3186 -1.3186 4.1821 4.1821 7.3434 7.3434 7.3697 7.3697 8.1084 8.1084 8.2771 8.2771 8.8107 8.8107 11.4011 11.4011 19.3824 19.3824 19.6669 19.6669 22.4746 22.4746 22.7199 22.7199 k = 0.0000 0.3400-0.0000 ( 1149 PWs) bands (ev): -1.8310 -1.8310 -1.8032 -1.8032 -1.3855 -1.3855 -1.3501 -1.3501 -1.3188 -1.3188 4.2798 4.2798 7.3150 7.3150 7.3725 7.3725 8.0857 8.0857 8.2607 8.2607 8.8098 8.8098 11.2671 11.2671 19.5146 19.5146 19.7987 19.7987 22.5229 22.5229 22.7138 22.7138 k = 0.0000 0.3500-0.0000 ( 1149 PWs) bands (ev): -1.8307 -1.8307 -1.8023 -1.8023 -1.3854 -1.3854 -1.3483 -1.3483 -1.3191 -1.3191 4.3796 4.3796 7.2814 7.2814 7.3751 7.3751 8.0634 8.0634 8.2451 8.2451 8.8091 8.8091 11.1414 11.1414 19.6485 19.6485 19.9321 19.9321 22.5724 22.5724 22.7079 22.7079 k = 0.0000 0.3600-0.0000 ( 1149 PWs) bands (ev): -1.8303 -1.8303 -1.8016 -1.8016 -1.3853 -1.3853 -1.3467 -1.3467 -1.3193 -1.3193 4.4813 4.4813 7.2422 7.2422 7.3778 7.3778 8.0414 8.0414 8.2301 8.2301 8.8085 8.8085 11.0241 11.0241 19.7837 19.7837 20.0668 20.0668 22.6230 22.6230 22.7024 22.7024 k = 0.0000 0.3700-0.0000 ( 1149 PWs) bands (ev): -1.8299 -1.8299 -1.8008 -1.8008 -1.3853 -1.3853 -1.3451 -1.3451 -1.3195 -1.3195 4.5849 4.5849 7.1972 7.1972 7.3802 7.3802 8.0203 8.0203 8.2160 8.2160 8.8080 8.8080 10.9156 10.9156 19.9199 19.9199 20.2023 20.2023 22.6745 22.6745 22.6969 22.6969 k = 0.0000 0.3800-0.0000 ( 1141 PWs) bands (ev): -1.8296 -1.8296 -1.8000 -1.8000 -1.3852 -1.3852 -1.3434 -1.3434 -1.3196 -1.3196 4.6901 4.6901 7.1463 7.1463 7.3824 7.3824 8.0002 8.0002 8.2029 8.2029 8.8076 8.8076 10.8162 10.8162 20.0569 20.0569 20.3383 20.3383 22.6917 22.6917 22.7265 22.7265 k = 0.0000 0.3900-0.0000 ( 1141 PWs) bands (ev): -1.8293 -1.8293 -1.7994 -1.7994 -1.3852 -1.3852 -1.3420 -1.3420 -1.3197 -1.3197 4.7968 4.7968 7.0890 7.0890 7.3844 7.3844 7.9811 7.9811 8.1906 8.1906 8.8072 8.8072 10.7256 10.7256 20.1939 20.1939 20.4742 20.4742 22.6868 22.6868 22.7787 22.7787 k = 0.0000 0.4000-0.0000 ( 1137 PWs) bands (ev): -1.8291 -1.8291 -1.7987 -1.7987 -1.3852 -1.3852 -1.3405 -1.3405 -1.3198 -1.3198 4.9048 4.9048 7.0257 7.0257 7.3863 7.3863 7.9634 7.9634 8.1793 8.1793 8.8069 8.8069 10.6441 10.6441 20.3305 20.3305 20.6094 20.6094 22.6821 22.6821 22.8306 22.8306 k = 0.0000 0.4100-0.0000 ( 1137 PWs) bands (ev): -1.8289 -1.8289 -1.7982 -1.7982 -1.3852 -1.3852 -1.3392 -1.3392 -1.3199 -1.3199 5.0138 5.0138 6.9562 6.9562 7.3880 7.3880 7.9471 7.9471 8.1690 8.1690 8.8066 8.8066 10.5715 10.5715 20.4657 20.4657 20.7430 20.7430 22.6778 22.6778 22.8814 22.8814 k = 0.0000 0.4200-0.0000 ( 1141 PWs) bands (ev): -1.8287 -1.8287 -1.7978 -1.7978 -1.3852 -1.3852 -1.3381 -1.3381 -1.3201 -1.3201 5.1234 5.1234 6.8811 6.8811 7.3895 7.3895 7.9323 7.9323 8.1596 8.1596 8.8063 8.8063 10.5075 10.5075 20.5986 20.5986 20.8739 20.8739 22.6740 22.6740 22.9301 22.9301 k = 0.0000 0.4300-0.0000 ( 1141 PWs) bands (ev): -1.8285 -1.8285 -1.7974 -1.7974 -1.3852 -1.3852 -1.3371 -1.3371 -1.3202 -1.3202 5.2333 5.2333 6.8009 6.8009 7.3909 7.3909 7.9193 7.9193 8.1513 8.1513 8.8062 8.8062 10.4521 10.4521 20.7277 20.7277 21.0007 21.0007 22.6704 22.6704 22.9754 22.9754 k = 0.0000 0.4400-0.0000 ( 1141 PWs) bands (ev): -1.8283 -1.8283 -1.7970 -1.7970 -1.3852 -1.3852 -1.3361 -1.3361 -1.3203 -1.3203 5.3428 5.3428 6.7163 6.7163 7.3921 7.3921 7.9080 7.9080 8.1440 8.1440 8.8060 8.8060 10.4048 10.4048 20.8512 20.8512 21.1215 21.1215 22.6673 22.6673 23.0157 23.0157 k = 0.0000 0.4500-0.0000 ( 1141 PWs) bands (ev): -1.8282 -1.8282 -1.7968 -1.7968 -1.3853 -1.3853 -1.3354 -1.3354 -1.3203 -1.3203 5.4510 5.4510 6.6286 6.6286 7.3930 7.3930 7.8984 7.8984 8.1379 8.1379 8.8059 8.8059 10.3654 10.3654 20.9666 20.9666 21.2338 21.2338 22.6646 22.6646 23.0487 23.0487 k = 0.0000 0.4600-0.0000 ( 1141 PWs) bands (ev): -1.8281 -1.8281 -1.7965 -1.7965 -1.3853 -1.3853 -1.3347 -1.3347 -1.3204 -1.3204 5.5567 5.5567 6.5392 6.5392 7.3939 7.3939 7.8906 7.8906 8.1329 8.1329 8.8058 8.8058 10.3337 10.3337 21.0708 21.0708 21.3346 21.3346 22.6624 22.6624 23.0720 23.0720 k = 0.0000 0.4700-0.0000 ( 1140 PWs) bands (ev): -1.8280 -1.8280 -1.7963 -1.7963 -1.3853 -1.3853 -1.3342 -1.3342 -1.3204 -1.3204 5.6574 5.6574 6.4511 6.4511 7.3945 7.3945 7.8846 7.8846 8.1289 8.1289 8.8057 8.8057 10.3093 10.3093 21.1596 21.1596 21.4200 21.4200 22.6606 22.6606 23.0836 23.0836 k = 0.0000 0.4800-0.0000 ( 1140 PWs) bands (ev): -1.8279 -1.8279 -1.7962 -1.7962 -1.3853 -1.3853 -1.3338 -1.3338 -1.3204 -1.3204 5.7478 5.7478 6.3693 6.3693 7.3949 7.3949 7.8802 7.8802 8.1261 8.1261 8.8057 8.8057 10.2921 10.2921 21.2283 21.2283 21.4857 21.4857 22.6594 22.6594 23.0845 23.0845 k = 0.0000 0.4900-0.0000 ( 1140 PWs) bands (ev): -1.8279 -1.8279 -1.7961 -1.7961 -1.3853 -1.3853 -1.3336 -1.3336 -1.3204 -1.3204 5.8171 5.8171 6.3052 6.3052 7.3952 7.3952 7.8777 7.8777 8.1244 8.1244 8.8057 8.8057 10.2818 10.2818 21.2722 21.2722 21.5273 21.5273 22.6586 22.6586 23.0801 23.0801 k = 0.0000 0.5000-0.0000 ( 1140 PWs) bands (ev): -1.8279 -1.8279 -1.7961 -1.7961 -1.3853 -1.3853 -1.3335 -1.3335 -1.3204 -1.3204 5.8448 5.8448 6.2792 6.2792 7.3953 7.3953 7.8768 7.8768 8.1238 8.1238 8.8057 8.8057 10.2784 10.2784 21.2872 21.2872 21.5416 21.5416 22.6583 22.6583 23.0775 23.0775 k = 0.0000 0.5000-0.0000 ( 1140 PWs) bands (ev): -1.8279 -1.8279 -1.7961 -1.7961 -1.3853 -1.3853 -1.3335 -1.3335 -1.3204 -1.3204 5.8448 5.8448 6.2792 6.2792 7.3953 7.3953 7.8768 7.8768 8.1238 8.1238 8.8057 8.8057 10.2784 10.2784 21.2872 21.2872 21.5416 21.5416 22.6583 22.6583 23.0775 23.0775 k = 0.0100 0.5000-0.0000 ( 1140 PWs) bands (ev): -1.8279 -1.8279 -1.7961 -1.7961 -1.3853 -1.3853 -1.3335 -1.3335 -1.3205 -1.3205 5.8444 5.8444 6.2809 6.2809 7.3959 7.3959 7.8777 7.8777 8.1246 8.1246 8.8053 8.8053 10.2785 10.2785 21.2635 21.2635 21.5180 21.5180 22.6846 22.6846 23.0909 23.0909 k = 0.0200 0.5000-0.0000 ( 1140 PWs) bands (ev): -1.8278 -1.8278 -1.7962 -1.7962 -1.3853 -1.3853 -1.3335 -1.3335 -1.3207 -1.3207 5.8433 5.8433 6.2858 6.2858 7.3978 7.3978 7.8805 7.8805 8.1270 8.1270 8.8041 8.8041 10.2789 10.2789 21.1795 21.1795 21.4757 21.4757 22.7421 22.7421 23.1216 23.1216 k = 0.0300 0.5000-0.0000 ( 1140 PWs) bands (ev): -1.8277 -1.8277 -1.7963 -1.7963 -1.3853 -1.3853 -1.3334 -1.3334 -1.3211 -1.3211 5.8415 5.8415 6.2940 6.2940 7.4009 7.4009 7.8851 7.8851 8.1310 8.1310 8.8022 8.8022 10.2795 10.2795 21.0306 21.0306 21.4486 21.4486 22.7951 22.7951 23.1131 23.1131 k = 0.0400 0.5000-0.0000 ( 1146 PWs) bands (ev): -1.8277 -1.8277 -1.7964 -1.7964 -1.3854 -1.3854 -1.3333 -1.3333 -1.3216 -1.3216 5.8391 5.8391 6.3055 6.3055 7.4052 7.4052 7.8914 7.8914 8.1366 8.1366 8.7995 8.7995 10.2804 10.2804 20.8393 20.8393 21.4355 21.4355 22.8222 22.8222 23.0138 23.0138 k = 0.0500 0.5000-0.0000 ( 1146 PWs) bands (ev): -1.8276 -1.8276 -1.7966 -1.7966 -1.3854 -1.3854 -1.3332 -1.3332 -1.3222 -1.3222 5.8359 5.8359 6.3202 6.3202 7.4109 7.4109 7.8993 7.8993 8.1440 8.1440 8.7961 8.7961 10.2815 10.2815 20.6256 20.6256 21.4292 21.4292 22.7615 22.7615 22.9280 22.9280 k = 0.0600 0.5000-0.0000 ( 1138 PWs) bands (ev): -1.8273 -1.8273 -1.7967 -1.7967 -1.3853 -1.3853 -1.3330 -1.3330 -1.3227 -1.3227 5.8321 5.8321 6.3381 6.3381 7.4178 7.4178 7.9087 7.9087 8.1534 8.1534 8.7921 8.7921 10.2829 10.2829 20.4001 20.4001 21.4261 21.4261 22.5780 22.5780 22.9307 22.9307 k = 0.0700 0.5000-0.0000 ( 1138 PWs) bands (ev): -1.8271 -1.8271 -1.7970 -1.7970 -1.3854 -1.3854 -1.3329 -1.3329 -1.3235 -1.3235 5.8278 5.8278 6.3590 6.3590 7.4260 7.4260 7.9194 7.9194 8.1646 8.1646 8.7874 8.7874 10.2845 10.2845 20.1681 20.1681 21.4244 21.4244 22.3597 22.3597 22.9514 22.9514 k = 0.0800 0.5000-0.0000 ( 1134 PWs) bands (ev): -1.8269 -1.8269 -1.7972 -1.7972 -1.3853 -1.3853 -1.3329 -1.3329 -1.3242 -1.3242 5.8228 5.8228 6.3831 6.3831 7.4354 7.4354 7.9312 7.9312 8.1781 8.1781 8.7821 8.7821 10.2864 10.2864 19.9328 19.9328 21.4234 21.4234 22.1289 22.1289 22.9764 22.9764 k = 0.0900 0.5000-0.0000 ( 1134 PWs) bands (ev): -1.8266 -1.8266 -1.7975 -1.7975 -1.3854 -1.3854 -1.3330 -1.3330 -1.3249 -1.3249 5.8174 5.8174 6.4101 6.4101 7.4461 7.4461 7.9438 7.9438 8.1938 8.1938 8.7761 8.7761 10.2885 10.2885 19.6960 19.6960 21.4221 21.4221 21.8923 21.8923 23.0040 23.0040 k = 0.1000 0.5000-0.0000 ( 1134 PWs) bands (ev): -1.8264 -1.8264 -1.7979 -1.7979 -1.3854 -1.3854 -1.3333 -1.3333 -1.3254 -1.3254 5.8115 5.8115 6.4400 6.4400 7.4581 7.4581 7.9572 7.9572 8.2120 8.2120 8.7696 8.7696 10.2908 10.2908 19.4587 19.4587 21.4177 21.4177 21.6554 21.6554 23.0342 23.0342 k = 0.1100 0.5000-0.0000 ( 1138 PWs) bands (ev): -1.8263 -1.8263 -1.7983 -1.7983 -1.3854 -1.3854 -1.3339 -1.3339 -1.3258 -1.3258 5.8052 5.8052 6.4727 6.4727 7.4712 7.4712 7.9710 7.9710 8.2327 8.2327 8.7626 8.7626 10.2934 10.2934 19.2218 19.2218 21.3644 21.3644 21.4657 21.4657 23.0669 23.0669 k = 0.1200 0.5000-0.0000 ( 1142 PWs) bands (ev): -1.8261 -1.8261 -1.7988 -1.7988 -1.3855 -1.3855 -1.3349 -1.3349 -1.3258 -1.3258 5.7985 5.7985 6.5081 6.5081 7.4857 7.4857 7.9851 7.9851 8.2561 8.2561 8.7552 8.7552 10.2961 10.2961 18.9859 18.9859 21.1469 21.1469 21.4393 21.4393 23.1023 23.1023 k = 0.1300 0.5000-0.0000 ( 1142 PWs) bands (ev): -1.8259 -1.8259 -1.7992 -1.7992 -1.3855 -1.3855 -1.3362 -1.3362 -1.3256 -1.3256 5.7916 5.7916 6.5459 6.5459 7.5017 7.5017 7.9993 7.9993 8.2823 8.2823 8.7475 8.7475 10.2992 10.2992 18.7514 18.7514 20.9051 20.9051 21.4373 21.4373 23.1405 23.1405 k = 0.1400 0.5000-0.0000 ( 1138 PWs) bands (ev): -1.8257 -1.8257 -1.7997 -1.7997 -1.3854 -1.3854 -1.3376 -1.3376 -1.3250 -1.3250 5.7843 5.7843 6.5862 6.5862 7.5192 7.5192 8.0135 8.0135 8.3113 8.3113 8.7398 8.7398 10.3024 10.3024 18.5185 18.5185 20.6612 20.6612 21.4379 21.4379 23.1814 23.1814 k = 0.1500 0.5000-0.0000 ( 1138 PWs) bands (ev): -1.8255 -1.8255 -1.8002 -1.8002 -1.3854 -1.3854 -1.3394 -1.3394 -1.3243 -1.3243 5.7768 5.7768 6.6286 6.6286 7.5381 7.5381 8.0276 8.0276 8.3429 8.3429 8.7318 8.7318 10.3058 10.3058 18.2874 18.2874 20.4174 20.4174 21.4394 21.4394 23.2251 23.2251 k = 0.1600 0.5000-0.0000 ( 1134 PWs) bands (ev): -1.8254 -1.8254 -1.8008 -1.8008 -1.3854 -1.3854 -1.3412 -1.3412 -1.3235 -1.3235 5.7692 5.7692 6.6730 6.6730 7.5586 7.5586 8.0416 8.0416 8.3770 8.3770 8.7243 8.7243 10.3095 10.3095 18.0585 18.0585 20.1745 20.1745 21.4413 21.4413 23.2714 23.2714 k = 0.1700 0.5000-0.0000 ( 1134 PWs) bands (ev): -1.8252 -1.8252 -1.8014 -1.8014 -1.3854 -1.3854 -1.3432 -1.3432 -1.3225 -1.3225 5.7614 5.7614 6.7191 6.7191 7.5807 7.5807 8.0554 8.0554 8.4133 8.4133 8.7174 8.7174 10.3133 10.3133 17.8317 17.8317 19.9331 19.9331 21.4435 21.4435 23.3205 23.3205 k = 0.1800 0.5000-0.0000 ( 1134 PWs) bands (ev): -1.8252 -1.8252 -1.8021 -1.8021 -1.3854 -1.3854 -1.3452 -1.3452 -1.3214 -1.3214 5.7536 5.7536 6.7667 6.7667 7.6047 7.6047 8.0690 8.0690 8.4510 8.4510 8.7116 8.7116 10.3173 10.3173 17.6073 17.6073 19.6933 19.6933 21.4459 21.4459 23.3723 23.3723 k = 0.1900 0.5000-0.0000 ( 1138 PWs) bands (ev): -1.8252 -1.8252 -1.8028 -1.8028 -1.3854 -1.3854 -1.3474 -1.3474 -1.3202 -1.3202 5.7457 5.7457 6.8153 6.8153 7.6306 7.6306 8.0824 8.0824 8.4892 8.4892 8.7080 8.7080 10.3215 10.3215 17.3854 17.3854 19.4555 19.4555 21.4485 21.4485 23.4267 23.4267 k = 0.2000 0.5000-0.0000 ( 1134 PWs) bands (ev): -1.8252 -1.8252 -1.8035 -1.8035 -1.3854 -1.3854 -1.3496 -1.3496 -1.3189 -1.3189 5.7378 5.7378 6.8648 6.8648 7.6586 7.6586 8.0957 8.0957 8.5260 8.5260 8.7088 8.7088 10.3259 10.3259 17.1661 17.1661 19.2199 19.2199 21.4512 21.4512 23.4838 23.4838 k = 0.2100 0.5000-0.0000 ( 1134 PWs) bands (ev): -1.8252 -1.8252 -1.8042 -1.8042 -1.3854 -1.3854 -1.3518 -1.3518 -1.3175 -1.3175 5.7299 5.7299 6.9146 6.9146 7.6890 7.6890 8.1088 8.1088 8.5575 8.5575 8.7176 8.7176 10.3305 10.3305 16.9494 16.9494 18.9867 18.9867 21.4540 21.4540 23.5436 23.5436 k = 0.2200 0.5000-0.0000 ( 1130 PWs) bands (ev): -1.8252 -1.8252 -1.8050 -1.8050 -1.3854 -1.3854 -1.3541 -1.3541 -1.3160 -1.3160 5.7221 5.7221 6.9643 6.9643 7.7220 7.7220 8.1218 8.1218 8.5795 8.5795 8.7387 8.7387 10.3353 10.3353 16.7355 16.7355 18.7561 18.7561 21.4569 21.4569 23.6060 23.6060 k = 0.2300 0.5000-0.0000 ( 1130 PWs) bands (ev): -1.8254 -1.8254 -1.8059 -1.8059 -1.3855 -1.3855 -1.3563 -1.3563 -1.3144 -1.3144 5.7144 5.7144 7.0135 7.0135 7.7577 7.7577 8.1346 8.1346 8.5904 8.5904 8.7736 8.7736 10.3402 10.3402 16.5244 16.5244 18.5284 18.5284 21.4599 21.4599 23.6708 23.6708 k = 0.2400 0.5000-0.0000 ( 1130 PWs) bands (ev): -1.8255 -1.8255 -1.8068 -1.8068 -1.3856 -1.3856 -1.3586 -1.3586 -1.3127 -1.3127 5.7069 5.7069 7.0618 7.0618 7.7962 7.7962 8.1473 8.1473 8.5934 8.5934 8.8194 8.8194 10.3452 10.3452 16.3163 16.3163 18.3036 18.3036 21.4630 21.4630 23.7382 23.7382 k = 0.2500 0.5000-0.0000 ( 1134 PWs) bands (ev): -1.8257 -1.8257 -1.8077 -1.8077 -1.3857 -1.3857 -1.3609 -1.3609 -1.3110 -1.3110 5.6994 5.6994 7.1086 7.1086 7.8378 7.8378 8.1598 8.1598 8.5921 8.5921 8.8724 8.8724 10.3504 10.3504 16.1111 16.1111 18.0821 18.0821 21.4660 21.4660 23.8080 23.8080 k = 0.2600 0.5000-0.0000 ( 1126 PWs) bands (ev): -1.8259 -1.8259 -1.8086 -1.8086 -1.3858 -1.3858 -1.3629 -1.3629 -1.3091 -1.3091 5.6922 5.6922 7.1537 7.1537 7.8824 7.8824 8.1723 8.1723 8.5888 8.5888 8.9306 8.9306 10.3558 10.3558 15.9091 15.9091 17.8640 17.8640 21.4691 21.4691 23.8802 23.8802 k = 0.2700 0.5000-0.0000 ( 1126 PWs) bands (ev): -1.8261 -1.8261 -1.8096 -1.8096 -1.3860 -1.3860 -1.3651 -1.3651 -1.3073 -1.3073 5.6851 5.6851 7.1965 7.1965 7.9300 7.9300 8.1846 8.1846 8.5849 8.5849 8.9926 8.9926 10.3613 10.3613 15.7102 15.7102 17.6494 17.6494 21.4723 21.4723 23.9547 23.9547 k = 0.2800 0.5000-0.0000 ( 1126 PWs) bands (ev): -1.8264 -1.8264 -1.8106 -1.8106 -1.3863 -1.3863 -1.3671 -1.3671 -1.3054 -1.3054 5.6782 5.6782 7.2369 7.2369 7.9801 7.9801 8.1968 8.1968 8.5814 8.5814 9.0577 9.0577 10.3670 10.3670 15.5147 15.5147 17.4387 17.4387 21.4754 21.4754 24.0314 24.0314 k = 0.2900 0.5000-0.0000 ( 1126 PWs) bands (ev): -1.8267 -1.8267 -1.8116 -1.8116 -1.3866 -1.3866 -1.3691 -1.3691 -1.3034 -1.3034 5.6716 5.6716 7.2748 7.2748 8.0321 8.0321 8.2091 8.2091 8.5790 8.5790 9.1255 9.1255 10.3728 10.3728 15.3225 15.3225 17.2321 17.2321 21.4785 21.4785 24.1103 24.1103 k = 0.3000 0.5000-0.0000 ( 1128 PWs) bands (ev): -1.8271 -1.8271 -1.8126 -1.8126 -1.3871 -1.3871 -1.3710 -1.3710 -1.3015 -1.3015 5.6652 5.6652 7.3099 7.3099 8.0848 8.0848 8.2217 8.2217 8.5785 8.5785 9.1957 9.1957 10.3787 10.3787 15.1338 15.1338 17.0298 17.0298 21.4815 21.4815 24.1912 24.1912 k = 0.3100 0.5000-0.0000 ( 1128 PWs) bands (ev): -1.8274 -1.8274 -1.8136 -1.8136 -1.3876 -1.3876 -1.3727 -1.3727 -1.2995 -1.2995 5.6591 5.6591 7.3425 7.3425 8.1364 8.1364 8.2352 8.2352 8.5812 8.5812 9.2682 9.2682 10.3848 10.3848 14.9488 14.9488 16.8321 16.8321 21.4845 21.4845 24.2740 24.2740 k = 0.3200 0.5000-0.0000 ( 1132 PWs) bands (ev): -1.8278 -1.8278 -1.8147 -1.8147 -1.3883 -1.3883 -1.3743 -1.3743 -1.2976 -1.2976 5.6533 5.6533 7.3724 7.3724 8.1831 8.1831 8.2515 8.2515 8.5884 8.5884 9.3426 9.3426 10.3911 10.3911 14.7675 14.7675 16.6393 16.6393 21.4875 21.4875 24.3586 24.3586 k = 0.3300 0.5000-0.0000 ( 1132 PWs) bands (ev): -1.8282 -1.8282 -1.8157 -1.8157 -1.3890 -1.3890 -1.3756 -1.3756 -1.2956 -1.2956 5.6477 5.6477 7.3999 7.3999 8.2185 8.2185 8.2748 8.2748 8.6021 8.6021 9.4189 9.4189 10.3974 10.3974 14.5901 14.5901 16.4518 16.4518 21.4904 21.4904 24.4448 24.4448 k = 0.3400 0.5000-0.0000 ( 1132 PWs) bands (ev): -1.8285 -1.8285 -1.8168 -1.8168 -1.3899 -1.3899 -1.3767 -1.3767 -1.2937 -1.2937 5.6424 5.6424 7.4250 7.4250 8.2400 8.2400 8.3048 8.3048 8.6243 8.6243 9.4967 9.4967 10.4040 10.4040 14.4169 14.4169 16.2699 16.2699 21.4932 21.4932 24.5324 24.5324 k = 0.3500 0.5000-0.0000 ( 1128 PWs) bands (ev): -1.8289 -1.8289 -1.8177 -1.8177 -1.3908 -1.3908 -1.3777 -1.3777 -1.2917 -1.2917 5.6375 5.6375 7.4480 7.4480 8.2539 8.2539 8.3334 8.3334 8.6565 8.6565 9.5760 9.5760 10.4107 10.4107 14.2481 14.2481 16.0941 16.0941 21.4959 21.4959 24.6212 24.6212 k = 0.3600 0.5000-0.0000 ( 1130 PWs) bands (ev): -1.8292 -1.8292 -1.8187 -1.8187 -1.3919 -1.3919 -1.3785 -1.3785 -1.2899 -1.2899 5.6328 5.6328 7.4689 7.4689 8.2645 8.2645 8.3557 8.3557 8.6987 8.6987 9.6563 9.6563 10.4176 10.4176 14.0838 14.0838 15.9248 15.9248 21.4984 21.4984 24.7108 24.7108 k = 0.3700 0.5000-0.0000 ( 1122 PWs) bands (ev): -1.8295 -1.8295 -1.8196 -1.8196 -1.3930 -1.3930 -1.3790 -1.3790 -1.2881 -1.2881 5.6285 5.6285 7.4880 7.4880 8.2735 8.2735 8.3713 8.3713 8.7489 8.7489 9.7374 9.7374 10.4246 10.4246 13.9245 13.9245 15.7625 15.7625 21.5009 21.5009 24.8011 24.8011 k = 0.3800 0.5000-0.0000 ( 1122 PWs) bands (ev): -1.8298 -1.8298 -1.8205 -1.8205 -1.3941 -1.3941 -1.3795 -1.3795 -1.2863 -1.2863 5.6244 5.6244 7.5052 7.5052 8.2811 8.2811 8.3817 8.3817 8.8044 8.8044 9.8188 9.8188 10.4319 10.4319 13.7705 13.7705 15.6077 15.6077 21.5033 21.5033 24.8915 24.8915 k = 0.3900 0.5000-0.0000 ( 1122 PWs) bands (ev): -1.8301 -1.8301 -1.8214 -1.8214 -1.3953 -1.3953 -1.3799 -1.3799 -1.2847 -1.2847 5.6207 5.6207 7.5207 7.5207 8.2878 8.2878 8.3884 8.3884 8.8627 8.8627 9.9002 9.9002 10.4392 10.4392 13.6223 13.6223 15.4612 15.4612 21.5054 21.5054 24.9815 24.9815 k = 0.4000 0.5000-0.0000 ( 1126 PWs) bands (ev): -1.8305 -1.8305 -1.8222 -1.8222 -1.3964 -1.3964 -1.3803 -1.3803 -1.2832 -1.2832 5.6172 5.6172 7.5346 7.5346 8.2935 8.2935 8.3927 8.3927 8.9216 8.9216 9.9808 9.9808 10.4467 10.4467 13.4804 13.4804 15.3235 15.3235 21.5075 21.5075 25.0705 25.0705 k = 0.4100 0.5000-0.0000 ( 1124 PWs) bands (ev): -1.8308 -1.8308 -1.8229 -1.8229 -1.3974 -1.3974 -1.3806 -1.3806 -1.2818 -1.2818 5.6142 5.6142 7.5469 7.5469 8.2985 8.2985 8.3957 8.3957 8.9794 8.9794 10.0601 10.0601 10.4544 10.4544 13.3456 13.3456 15.1954 15.1954 21.5094 21.5094 25.1576 25.1576 k = 0.4200 0.5000-0.0000 ( 1124 PWs) bands (ev): -1.8310 -1.8310 -1.8236 -1.8236 -1.3984 -1.3984 -1.3808 -1.3808 -1.2805 -1.2805 5.6114 5.6114 7.5579 7.5579 8.3026 8.3026 8.3977 8.3977 9.0347 9.0347 10.1369 10.1369 10.4623 10.4623 13.2187 13.2187 15.0776 15.0776 21.5111 21.5111 25.2418 25.2418 k = 0.4300 0.5000-0.0000 ( 1120 PWs) bands (ev): -1.8312 -1.8312 -1.8242 -1.8242 -1.3992 -1.3992 -1.3810 -1.3810 -1.2793 -1.2793 5.6090 5.6090 7.5674 7.5674 8.3061 8.3061 8.3993 8.3993 9.0864 9.0864 10.2101 10.2101 10.4703 10.4703 13.1009 13.1009 14.9710 14.9710 21.5126 21.5126 25.3218 25.3218 k = 0.4400 0.5000-0.0000 ( 1118 PWs) bands (ev): -1.8314 -1.8314 -1.8247 -1.8247 -1.4000 -1.4000 -1.3811 -1.3811 -1.2783 -1.2783 5.6069 5.6069 7.5755 7.5755 8.3089 8.3089 8.4005 8.4005 9.1333 9.1333 10.2782 10.2782 10.4787 10.4787 12.9932 12.9932 14.8764 14.8764 21.5139 21.5139 25.3957 25.3957 k = 0.4500 0.5000-0.0000 ( 1116 PWs) bands (ev): -1.8316 -1.8316 -1.8251 -1.8251 -1.4006 -1.4006 -1.3812 -1.3812 -1.2774 -1.2774 5.6051 5.6051 7.5824 7.5824 8.3111 8.3111 8.4014 8.4014 9.1746 9.1746 10.3391 10.3391 10.4878 10.4878 12.8974 12.8974 14.7945 14.7945 21.5151 21.5151 25.4612 25.4612 k = 0.4600 0.5000-0.0000 ( 1120 PWs) bands (ev): -1.8318 -1.8318 -1.8256 -1.8256 -1.4012 -1.4012 -1.3814 -1.3814 -1.2767 -1.2767 5.6036 5.6036 7.5879 7.5879 8.3127 8.3127 8.4022 8.4022 9.2094 9.2094 10.3899 10.3899 10.4985 10.4985 12.8150 12.8150 14.7263 14.7263 21.5160 21.5160 25.5154 25.5154 k = 0.4700 0.5000-0.0000 ( 1132 PWs) bands (ev): -1.8320 -1.8320 -1.8261 -1.8261 -1.4018 -1.4018 -1.3815 -1.3815 -1.2762 -1.2762 5.6023 5.6023 7.5921 7.5921 8.3138 8.3138 8.4027 8.4027 9.2372 9.2372 10.4273 10.4273 10.5120 10.5120 12.7480 12.7480 14.6723 14.6723 21.5167 21.5167 25.5552 25.5552 k = 0.4800 0.5000-0.0000 ( 1132 PWs) bands (ev): -1.8321 -1.8321 -1.8263 -1.8263 -1.4022 -1.4022 -1.3816 -1.3816 -1.2758 -1.2758 5.6015 5.6015 7.5952 7.5952 8.3146 8.3146 8.4032 8.4032 9.2574 9.2574 10.4499 10.4499 10.5278 10.5278 12.6984 12.6984 14.6333 14.6333 21.5173 21.5173 25.5799 25.5799 k = 0.4900 0.5000-0.0000 ( 1132 PWs) bands (ev): -1.8321 -1.8321 -1.8264 -1.8264 -1.4023 -1.4023 -1.3816 -1.3816 -1.2755 -1.2755 5.6010 5.6010 7.5970 7.5970 8.3151 8.3151 8.4035 8.4035 9.2697 9.2697 10.4608 10.4608 10.5408 10.5408 12.6679 12.6679 14.6097 14.6097 21.5176 21.5176 25.5920 25.5920 k = 0.5000 0.5000-0.0000 ( 1132 PWs) bands (ev): -1.8322 -1.8322 -1.8265 -1.8265 -1.4024 -1.4024 -1.3816 -1.3816 -1.2754 -1.2754 5.6008 5.6008 7.5976 7.5976 8.3153 8.3153 8.4036 8.4036 9.2738 9.2738 10.4640 10.4640 10.5457 10.5457 12.6576 12.6576 14.6018 14.6018 21.5177 21.5177 25.5955 25.5955 k = 0.5000 0.5000-0.0000 ( 1132 PWs) bands (ev): -1.8322 -1.8322 -1.8265 -1.8265 -1.4024 -1.4024 -1.3816 -1.3816 -1.2754 -1.2754 5.6008 5.6008 7.5976 7.5976 8.3153 8.3153 8.4036 8.4036 9.2738 9.2738 10.4640 10.4640 10.5457 10.5457 12.6576 12.6576 14.6018 14.6018 21.5177 21.5177 25.5955 25.5955 k = 0.4930 0.4930-0.0000 ( 1132 PWs) bands (ev): -1.8321 -1.8321 -1.8264 -1.8264 -1.4023 -1.4023 -1.3816 -1.3816 -1.2755 -1.2755 5.6010 5.6010 7.5970 7.5970 8.3151 8.3151 8.4035 8.4035 9.2697 9.2697 10.4599 10.4599 10.5418 10.5418 12.6678 12.6678 14.6097 14.6097 21.5176 21.5176 25.5920 25.5920 k = 0.4859 0.4859-0.0000 ( 1132 PWs) bands (ev): -1.8321 -1.8321 -1.8263 -1.8263 -1.4022 -1.4022 -1.3816 -1.3816 -1.2758 -1.2758 5.6015 5.6015 7.5952 7.5952 8.3146 8.3146 8.4032 8.4032 9.2577 9.2577 10.4370 10.4370 10.5415 10.5415 12.6971 12.6971 14.6334 14.6334 21.5172 21.5172 25.5792 25.5793 k = 0.4789 0.4789-0.0000 ( 1130 PWs) bands (ev): -1.8320 -1.8320 -1.8260 -1.8260 -1.4018 -1.4018 -1.3815 -1.3815 -1.2762 -1.2762 5.6022 5.6022 7.5922 7.5922 8.3139 8.3139 8.4027 8.4027 9.2384 9.2384 10.3842 10.3842 10.5584 10.5584 12.7423 12.7423 14.6733 14.6733 21.5166 21.5166 25.5524 25.5524 k = 0.4718 0.4718-0.0000 ( 1122 PWs) bands (ev): -1.8318 -1.8318 -1.8256 -1.8256 -1.4013 -1.4013 -1.3814 -1.3814 -1.2767 -1.2767 5.6032 5.6032 7.5880 7.5880 8.3128 8.3128 8.4022 8.4022 9.2127 9.2127 10.3072 10.3072 10.5897 10.5897 12.7991 12.7991 14.7298 14.7298 21.5154 21.5154 25.5085 25.5085 k = 0.4648 0.4648-0.0000 ( 1122 PWs) bands (ev): -1.8317 -1.8317 -1.8252 -1.8252 -1.4007 -1.4007 -1.3813 -1.3813 -1.2774 -1.2774 5.6043 5.6043 7.5825 7.5825 8.3112 8.3112 8.4014 8.4014 9.1814 9.1814 10.2133 10.2133 10.6314 10.6314 12.8629 12.8629 14.8036 14.8036 21.5136 21.5136 25.4493 25.4493 k = 0.4577 0.4577-0.0000 ( 1120 PWs) bands (ev): -1.8315 -1.8315 -1.8248 -1.8248 -1.4000 -1.4000 -1.3812 -1.3812 -1.2782 -1.2782 5.6053 5.6053 7.5757 7.5757 8.3092 8.3092 8.4006 8.4006 9.1458 9.1458 10.1078 10.1078 10.6812 10.6812 12.9296 12.9296 14.8948 14.8948 21.5109 21.5109 25.3783 25.3783 k = 0.4507 0.4507-0.0000 ( 1126 PWs) bands (ev): -1.8313 -1.8313 -1.8243 -1.8243 -1.3993 -1.3993 -1.3811 -1.3811 -1.2793 -1.2793 5.6061 5.6061 7.5676 7.5676 8.3066 8.3066 8.3995 8.3995 9.1066 9.1066 9.9945 9.9945 10.7377 10.7377 12.9958 12.9958 15.0036 15.0036 21.5071 21.5071 25.2987 25.2987 k = 0.4437 0.4437-0.0000 ( 1128 PWs) bands (ev): -1.8311 -1.8311 -1.8237 -1.8237 -1.3984 -1.3984 -1.3809 -1.3809 -1.2806 -1.2806 5.6065 5.6065 7.5581 7.5581 8.3034 8.3034 8.3984 8.3984 9.0648 9.0648 9.8766 9.8766 10.7999 10.7999 13.0595 13.0595 15.1297 15.1297 21.5016 21.5016 25.2130 25.2130 k = 0.4366 0.4366-0.0000 ( 1128 PWs) bands (ev): -1.8308 -1.8308 -1.8230 -1.8230 -1.3974 -1.3974 -1.3808 -1.3808 -1.2819 -1.2819 5.6063 5.6063 7.5474 7.5474 8.2994 8.2994 8.3972 8.3972 9.0212 9.0212 9.7566 9.7566 10.8670 10.8670 13.1191 13.1191 15.2724 15.2724 21.4943 21.4943 25.1231 25.1231 k = 0.4296 0.4296-0.0000 ( 1128 PWs) bands (ev): -1.8306 -1.8306 -1.8223 -1.8223 -1.3963 -1.3963 -1.3806 -1.3806 -1.2834 -1.2834 5.6053 5.6053 7.5352 7.5352 8.2946 8.2946 8.3960 8.3960 8.9763 8.9763 9.6365 9.6365 10.9384 10.9384 13.1741 13.1741 15.4306 15.4306 21.4846 21.4846 25.0305 25.0305 k = 0.4225 0.4225-0.0000 ( 1127 PWs) bands (ev): -1.8303 -1.8303 -1.8215 -1.8215 -1.3951 -1.3951 -1.3804 -1.3804 -1.2849 -1.2849 5.6030 5.6030 7.5217 7.5217 8.2887 8.2887 8.3945 8.3945 8.9308 8.9308 9.5182 9.5182 11.0135 11.0135 13.2244 13.2244 15.6030 15.6030 21.4721 21.4721 24.9362 24.9362 k = 0.4155 0.4155-0.0000 ( 1123 PWs) bands (ev): -1.8299 -1.8299 -1.8205 -1.8205 -1.3938 -1.3938 -1.3801 -1.3801 -1.2866 -1.2866 5.5992 5.5992 7.5068 7.5068 8.2817 8.2817 8.3929 8.3929 8.8853 8.8853 9.4030 9.4030 11.0919 11.0919 13.2703 13.2703 15.7885 15.7885 21.4564 21.4564 24.8411 24.8411 k = 0.4085 0.4085-0.0000 ( 1123 PWs) bands (ev): -1.8296 -1.8296 -1.8197 -1.8197 -1.3925 -1.3925 -1.3798 -1.3798 -1.2884 -1.2884 5.5934 5.5934 7.4906 7.4906 8.2733 8.2733 8.3910 8.3910 8.8402 8.8402 9.2924 9.2924 11.1734 11.1734 13.3124 13.3124 15.9856 15.9856 21.4369 21.4369 24.7459 24.7459 k = 0.4014 0.4014-0.0000 ( 1125 PWs) bands (ev): -1.8293 -1.8293 -1.8188 -1.8188 -1.3911 -1.3911 -1.3795 -1.3795 -1.2904 -1.2904 5.5851 5.5851 7.4732 7.4732 8.2632 8.2632 8.3886 8.3886 8.7961 8.7961 9.1873 9.1873 11.2576 11.2576 13.3512 13.3512 16.1930 16.1930 21.4131 21.4131 24.6512 24.6512 k = 0.3944 0.3944-0.0000 ( 1125 PWs) bands (ev): -1.8290 -1.8290 -1.8179 -1.8179 -1.3897 -1.3897 -1.3792 -1.3792 -1.2924 -1.2924 5.5739 5.5739 7.4547 7.4547 8.2510 8.2510 8.3856 8.3856 8.7538 8.7538 9.0888 9.0888 11.3443 11.3443 13.3873 13.3873 16.4098 16.4098 21.3846 21.3846 24.5574 24.5574 k = 0.3873 0.3873-0.0000 ( 1125 PWs) bands (ev): -1.8287 -1.8287 -1.8169 -1.8169 -1.3882 -1.3882 -1.3788 -1.3788 -1.2945 -1.2945 5.5593 5.5593 7.4353 7.4353 8.2366 8.2366 8.3816 8.3816 8.7142 8.7142 8.9976 8.9976 11.4334 11.4334 13.4214 13.4214 16.6349 16.6349 21.3510 21.3510 24.4649 24.4649 k = 0.3803 0.3803-0.0000 ( 1129 PWs) bands (ev): -1.8284 -1.8284 -1.8160 -1.8160 -1.3868 -1.3868 -1.3783 -1.3783 -1.2967 -1.2967 5.5407 5.5407 7.4153 7.4153 8.2193 8.2193 8.3765 8.3765 8.6779 8.6779 8.9140 8.9140 11.5247 11.5247 13.4539 13.4539 16.8673 16.8673 21.3120 21.3120 24.3740 24.3740 k = 0.3732 0.3732-0.0000 ( 1133 PWs) bands (ev): -1.8281 -1.8281 -1.8151 -1.8151 -1.3855 -1.3855 -1.3777 -1.3777 -1.2991 -1.2991 5.5177 5.5177 7.3952 7.3952 8.1992 8.1992 8.3700 8.3700 8.6460 8.6460 8.8382 8.8382 11.6180 11.6180 13.4853 13.4853 17.1065 17.1065 21.2671 21.2671 24.2849 24.2849 k = 0.3662 0.3662-0.0000 ( 1133 PWs) bands (ev): -1.8278 -1.8278 -1.8141 -1.8141 -1.3843 -1.3843 -1.3769 -1.3769 -1.3014 -1.3014 5.4897 5.4897 7.3755 7.3755 8.1760 8.1760 8.3620 8.3620 8.6192 8.6192 8.7702 8.7702 11.7133 11.7133 13.5161 13.5161 17.3517 17.3517 21.2163 21.2163 24.1980 24.1980 k = 0.3592 0.3592-0.0000 ( 1133 PWs) bands (ev): -1.8275 -1.8275 -1.8132 -1.8132 -1.3833 -1.3833 -1.3759 -1.3759 -1.3038 -1.3038 5.4563 5.4563 7.3566 7.3566 8.1501 8.1501 8.3524 8.3524 8.5977 8.5977 8.7098 8.7098 11.8105 11.8105 13.5465 13.5465 17.6023 17.6023 21.1595 21.1595 24.1133 24.1133 k = 0.3521 0.3521-0.0000 ( 1141 PWs) bands (ev): -1.8273 -1.8273 -1.8124 -1.8124 -1.3825 -1.3825 -1.3748 -1.3748 -1.3064 -1.3064 5.4173 5.4173 7.3391 7.3391 8.1218 8.1218 8.3412 8.3412 8.5809 8.5809 8.6567 8.6567 11.9094 11.9094 13.5769 13.5769 17.8579 17.8579 21.0965 21.0965 24.0311 24.0311 k = 0.3451 0.3451-0.0000 ( 1139 PWs) bands (ev): -1.8270 -1.8270 -1.8116 -1.8116 -1.3818 -1.3818 -1.3734 -1.3734 -1.3088 -1.3088 5.3724 5.3724 7.3235 7.3235 8.0921 8.0921 8.3286 8.3286 8.5677 8.5677 8.6115 8.6115 12.0100 12.0100 13.6077 13.6077 18.1180 18.1180 21.0275 21.0275 23.9515 23.9515 k = 0.3380 0.3380-0.0000 ( 1139 PWs) bands (ev): -1.8268 -1.8268 -1.8108 -1.8108 -1.3813 -1.3813 -1.3718 -1.3718 -1.3112 -1.3112 5.3215 5.3215 7.3103 7.3103 8.0617 8.0617 8.3145 8.3145 8.5523 8.5523 8.5788 8.5788 12.1124 12.1124 13.6389 13.6389 18.3822 18.3822 20.9527 20.9527 23.8746 23.8746 k = 0.3310 0.3310-0.0000 ( 1139 PWs) bands (ev): -1.8265 -1.8265 -1.8100 -1.8100 -1.3809 -1.3809 -1.3701 -1.3701 -1.3136 -1.3136 5.2649 5.2649 7.2998 7.2998 8.0312 8.0312 8.2988 8.2988 8.5262 8.5262 8.5661 8.5661 12.2163 12.2163 13.6710 13.6710 18.6502 18.6502 20.8724 20.8724 23.8006 23.8006 k = 0.3239 0.3239-0.0000 ( 1141 PWs) bands (ev): -1.8264 -1.8264 -1.8094 -1.8094 -1.3807 -1.3807 -1.3684 -1.3684 -1.3161 -1.3161 5.2026 5.2026 7.2923 7.2923 8.0012 8.0012 8.2816 8.2816 8.4994 8.4994 8.5626 8.5626 12.3217 12.3217 13.7040 13.7040 18.9215 18.9215 20.7868 20.7868 23.7296 23.7296 k = 0.3169 0.3169-0.0000 ( 1151 PWs) bands (ev): -1.8264 -1.8264 -1.8089 -1.8089 -1.3806 -1.3806 -1.3667 -1.3667 -1.3185 -1.3185 5.1352 5.1352 7.2876 7.2876 7.9720 7.9720 8.2631 8.2631 8.4767 8.4767 8.5623 8.5623 12.4286 12.4286 13.7381 13.7381 19.1959 19.1959 20.6964 20.6964 23.6618 23.6618 k = 0.3099 0.3099-0.0000 ( 1147 PWs) bands (ev): -1.8262 -1.8262 -1.8083 -1.8083 -1.3804 -1.3804 -1.3649 -1.3649 -1.3208 -1.3208 5.0632 5.0632 7.2860 7.2860 7.9438 7.9438 8.2439 8.2439 8.4586 8.4586 8.5642 8.5642 12.5370 12.5370 13.7736 13.7736 19.4729 19.4729 20.6015 20.6015 23.5975 23.5975 k = 0.3028 0.3028-0.0000 ( 1147 PWs) bands (ev): -1.8261 -1.8261 -1.8079 -1.8079 -1.3803 -1.3803 -1.3633 -1.3633 -1.3230 -1.3230 4.9870 4.9870 7.2871 7.2871 7.9166 7.9166 8.2244 8.2244 8.4446 8.4446 8.5675 8.5675 12.6468 12.6468 13.8106 13.8106 19.7520 19.7520 20.5028 20.5028 23.5368 23.5368 k = 0.2958 0.2958-0.0000 ( 1147 PWs) bands (ev): -1.8260 -1.8260 -1.8076 -1.8076 -1.3802 -1.3802 -1.3617 -1.3617 -1.3250 -1.3250 4.9072 4.9072 7.2907 7.2907 7.8903 7.8903 8.2053 8.2053 8.4342 8.4342 8.5720 8.5720 12.7579 12.7579 13.8493 13.8493 20.0324 20.0324 20.4010 20.4010 23.4802 23.4802 k = 0.2887 0.2887-0.0000 ( 1141 PWs) bands (ev): -1.8259 -1.8259 -1.8073 -1.8073 -1.3801 -1.3801 -1.3603 -1.3603 -1.3269 -1.3269 4.8245 4.8245 7.2964 7.2964 7.8650 7.8650 8.1876 8.1876 8.4267 8.4267 8.5774 8.5774 12.8703 12.8703 13.8898 13.8898 20.2806 20.2806 20.3295 20.3295 23.4282 23.4282 k = 0.2817 0.2817-0.0000 ( 1141 PWs) bands (ev): -1.8259 -1.8259 -1.8072 -1.8072 -1.3801 -1.3801 -1.3591 -1.3591 -1.3286 -1.3286 4.7394 4.7394 7.3036 7.3036 7.8403 7.8403 8.1715 8.1715 8.4217 8.4217 8.5836 8.5836 12.9840 12.9840 13.9322 13.9322 20.1848 20.1848 20.5995 20.5995 23.3813 23.3813 k = 0.2746 0.2746-0.0000 ( 1133 PWs) bands (ev): -1.8259 -1.8259 -1.8070 -1.8070 -1.3800 -1.3800 -1.3580 -1.3580 -1.3298 -1.3298 4.6525 4.6525 7.3120 7.3120 7.8164 7.8164 8.1579 8.1579 8.4188 8.4188 8.5906 8.5906 13.0988 13.0988 13.9766 13.9766 20.0750 20.0750 20.8803 20.8803 23.3408 23.3408 k = 0.2676 0.2676-0.0000 ( 1133 PWs) bands (ev): -1.8260 -1.8260 -1.8071 -1.8071 -1.3801 -1.3801 -1.3574 -1.3574 -1.3309 -1.3309 4.5643 4.5643 7.3211 7.3211 7.7928 7.7928 8.1469 8.1469 8.4175 8.4175 8.5980 8.5980 13.2149 13.2149 14.0233 14.0233 19.9631 19.9631 21.1587 21.1587 23.3082 23.3082 k = 0.2606 0.2606-0.0000 ( 1141 PWs) bands (ev): -1.8262 -1.8262 -1.8074 -1.8074 -1.3802 -1.3802 -1.3573 -1.3573 -1.3317 -1.3317 4.4754 4.4754 7.3304 7.3304 7.7695 7.7695 8.1388 8.1388 8.4177 8.4177 8.6060 8.6060 13.3319 13.3319 14.0723 14.0723 19.8497 19.8497 21.4313 21.4313 23.2865 23.2865 k = 0.2535 0.2535-0.0000 ( 1141 PWs) bands (ev): -1.8263 -1.8263 -1.8077 -1.8077 -1.3804 -1.3804 -1.3574 -1.3574 -1.3319 -1.3319 4.3860 4.3860 7.3395 7.3395 7.7467 7.7467 8.1341 8.1341 8.4193 8.4193 8.6144 8.6144 13.4501 13.4501 14.1238 14.1238 19.7354 19.7354 21.6933 21.6933 23.2802 23.2802 k = 0.2465 0.2465-0.0000 ( 1141 PWs) bands (ev): -1.8265 -1.8265 -1.8081 -1.8081 -1.3805 -1.3805 -1.3579 -1.3579 -1.3318 -1.3318 4.2967 4.2967 7.3480 7.3480 7.7241 7.7241 8.1328 8.1328 8.4221 8.4221 8.6233 8.6233 13.5692 13.5692 14.1779 14.1779 19.6204 19.6204 21.9368 21.9368 23.2973 23.2973 k = 0.2394 0.2394-0.0000 ( 1141 PWs) bands (ev): -1.8268 -1.8268 -1.8086 -1.8086 -1.3807 -1.3807 -1.3588 -1.3588 -1.3313 -1.3313 4.2078 4.2078 7.3557 7.3557 7.7018 7.7018 8.1350 8.1350 8.4260 8.4260 8.6325 8.6325 13.6892 13.6892 14.2346 14.2346 19.5052 19.5052 22.1494 22.1494 23.3497 23.3497 k = 0.2324 0.2324-0.0000 ( 1137 PWs) bands (ev): -1.8271 -1.8271 -1.8092 -1.8092 -1.3809 -1.3809 -1.3599 -1.3599 -1.3305 -1.3305 4.1196 4.1196 7.3623 7.3623 7.6799 7.6799 8.1405 8.1405 8.4309 8.4309 8.6422 8.6422 13.8100 13.8100 14.2942 14.2942 19.3901 19.3901 22.3169 22.3169 23.4516 23.4516 k = 0.2254 0.2254-0.0000 ( 1137 PWs) bands (ev): -1.8274 -1.8274 -1.8099 -1.8099 -1.3811 -1.3811 -1.3611 -1.3611 -1.3295 -1.3295 4.0324 4.0324 7.3677 7.3677 7.6582 7.6582 8.1492 8.1492 8.4366 8.4366 8.6521 8.6521 13.9315 13.9315 14.3567 14.3567 19.2753 19.2753 22.4310 22.4310 23.6109 23.6109 k = 0.2183 0.2183-0.0000 ( 1137 PWs) bands (ev): -1.8278 -1.8278 -1.8107 -1.8107 -1.3814 -1.3814 -1.3626 -1.3626 -1.3285 -1.3285 3.9464 3.9464 7.3718 7.3718 7.6368 7.6368 8.1609 8.1609 8.4432 8.4432 8.6624 8.6624 14.0536 14.0536 14.4222 14.4222 19.1613 19.1613 22.4973 22.4973 23.8220 23.8220 k = 0.2113 0.2113-0.0000 ( 1139 PWs) bands (ev): -1.8282 -1.8282 -1.8116 -1.8116 -1.3817 -1.3817 -1.3641 -1.3641 -1.3273 -1.3273 3.8618 3.8618 7.3745 7.3745 7.6158 7.6158 8.1753 8.1753 8.4505 8.4505 8.6730 8.6730 14.1760 14.1760 14.4910 14.4910 19.0482 19.0482 22.5294 22.5294 24.0709 24.0709 k = 0.2042 0.2042-0.0000 ( 1139 PWs) bands (ev): -1.8286 -1.8286 -1.8126 -1.8126 -1.3820 -1.3820 -1.3657 -1.3657 -1.3260 -1.3260 3.7789 3.7789 7.3760 7.3760 7.5952 7.5952 8.1921 8.1921 8.4585 8.4585 8.6839 8.6839 14.2986 14.2986 14.5631 14.5631 18.9363 18.9363 22.5401 22.5401 24.3446 24.3446 k = 0.1972 0.1972-0.0000 ( 1139 PWs) bands (ev): -1.8291 -1.8291 -1.8137 -1.8137 -1.3823 -1.3823 -1.3672 -1.3672 -1.3248 -1.3248 3.6978 3.6978 7.3763 7.3763 7.5751 7.5751 8.2109 8.2109 8.4670 8.4670 8.6950 8.6950 14.4211 14.4211 14.6390 14.6390 18.8259 18.8259 22.5378 22.5378 24.6342 24.6342 k = 0.1901 0.1901-0.0000 ( 1139 PWs) bands (ev): -1.8296 -1.8296 -1.8148 -1.8148 -1.3827 -1.3827 -1.3688 -1.3688 -1.3235 -1.3235 3.6187 3.6187 7.3756 7.3756 7.5556 7.5556 8.2314 8.2314 8.4760 8.4760 8.7065 8.7065 14.5428 14.5428 14.7190 14.7190 18.7173 18.7173 22.5276 22.5276 24.9341 24.9341 k = 0.1831 0.1831-0.0000 ( 1139 PWs) bands (ev): -1.8302 -1.8302 -1.8160 -1.8160 -1.3831 -1.3831 -1.3703 -1.3703 -1.3222 -1.3222 3.5418 3.5418 7.3739 7.3739 7.5365 7.5365 8.2532 8.2532 8.4855 8.4855 8.7182 8.7182 14.6629 14.6629 14.8040 14.8040 18.6105 18.6105 22.5125 22.5125 25.2399 25.2399 k = 0.1761 0.1761-0.0000 ( 1133 PWs) bands (ev): -1.8307 -1.8307 -1.8171 -1.8171 -1.3835 -1.3835 -1.3717 -1.3717 -1.3209 -1.3209 3.4670 3.4670 7.3714 7.3714 7.5182 7.5182 8.2761 8.2761 8.4954 8.4954 8.7302 8.7302 14.7798 14.7798 14.8953 14.8953 18.5059 18.5059 22.4940 22.4940 25.5444 25.5444 k = 0.1690 0.1690-0.0000 ( 1133 PWs) bands (ev): -1.8313 -1.8313 -1.8184 -1.8184 -1.3839 -1.3839 -1.3732 -1.3732 -1.3197 -1.3197 3.3946 3.3946 7.3682 7.3682 7.5004 7.5004 8.2997 8.2997 8.5054 8.5054 8.7425 8.7425 14.8917 14.8917 14.9946 14.9946 18.4037 18.4037 22.4732 22.4732 25.7531 25.7531 k = 0.1620 0.1620-0.0000 ( 1133 PWs) bands (ev): -1.8319 -1.8319 -1.8198 -1.8198 -1.3843 -1.3843 -1.3747 -1.3747 -1.3186 -1.3186 3.3247 3.3247 7.3645 7.3645 7.4832 7.4832 8.3236 8.3236 8.5156 8.5156 8.7549 8.7549 14.9978 14.9978 15.1024 15.1024 18.3041 18.3041 22.4505 22.4505 25.5764 25.5764 k = 0.1549 0.1549-0.0000 ( 1133 PWs) bands (ev): -1.8325 -1.8325 -1.8211 -1.8211 -1.3848 -1.3848 -1.3761 -1.3761 -1.3174 -1.3174 3.2572 3.2572 7.3604 7.3604 7.4667 7.4667 8.3476 8.3476 8.5259 8.5259 8.7676 8.7676 15.0996 15.0996 15.2170 15.2170 18.2073 18.2073 22.4261 22.4261 25.3463 25.3463 k = 0.1479 0.1479-0.0000 ( 1137 PWs) bands (ev): -1.8331 -1.8331 -1.8226 -1.8226 -1.3852 -1.3852 -1.3775 -1.3775 -1.3164 -1.3164 3.1924 3.1924 7.3559 7.3559 7.4507 7.4507 8.3716 8.3716 8.5362 8.5362 8.7804 8.7804 15.1997 15.1997 15.3355 15.3355 18.1134 18.1134 22.3999 22.3999 25.1155 25.1155 k = 0.1408 0.1408-0.0000 ( 1137 PWs) bands (ev): -1.8338 -1.8338 -1.8240 -1.8240 -1.3857 -1.3857 -1.3787 -1.3787 -1.3154 -1.3154 3.1303 3.1303 7.3512 7.3512 7.4356 7.4356 8.3953 8.3953 8.5464 8.5464 8.7934 8.7934 15.2998 15.2998 15.4558 15.4558 18.0227 18.0227 22.3717 22.3717 24.8886 24.8886 k = 0.1338 0.1338-0.0000 ( 1137 PWs) bands (ev): -1.8345 -1.8345 -1.8253 -1.8253 -1.3862 -1.3862 -1.3799 -1.3799 -1.3144 -1.3144 3.0709 3.0709 7.3462 7.3462 7.4213 7.4213 8.4185 8.4185 8.5565 8.5565 8.8064 8.8064 15.4007 15.4007 15.5766 15.5766 17.9354 17.9354 22.3409 22.3409 24.6675 24.6675 k = 0.1268 0.1268-0.0000 ( 1137 PWs) bands (ev): -1.8351 -1.8351 -1.8267 -1.8267 -1.3867 -1.3867 -1.3811 -1.3811 -1.3135 -1.3135 3.0142 3.0142 7.3413 7.3413 7.4076 7.4076 8.4412 8.4412 8.5663 8.5663 8.8195 8.8195 15.5027 15.5027 15.6971 15.6971 17.8516 17.8516 22.3071 22.3071 24.4538 24.4538 k = 0.1197 0.1197-0.0000 ( 1137 PWs) bands (ev): -1.8357 -1.8357 -1.8281 -1.8281 -1.3871 -1.3871 -1.3822 -1.3822 -1.3126 -1.3126 2.9605 2.9605 7.3363 7.3363 7.3946 7.3946 8.4631 8.4631 8.5759 8.5759 8.8326 8.8326 15.6057 15.6057 15.8167 15.8167 17.7716 17.7716 22.2693 22.2693 24.2489 24.2489 k = 0.1127 0.1127-0.0000 ( 1139 PWs) bands (ev): -1.8363 -1.8363 -1.8295 -1.8295 -1.3876 -1.3876 -1.3833 -1.3833 -1.3118 -1.3118 2.9096 2.9096 7.3315 7.3315 7.3823 7.3823 8.4841 8.4841 8.5850 8.5850 8.8455 8.8455 15.7095 15.7095 15.9350 15.9350 17.6955 17.6955 22.2264 22.2264 24.0545 24.0545 k = 0.1056 0.1056-0.0000 ( 1139 PWs) bands (ev): -1.8369 -1.8369 -1.8308 -1.8308 -1.3880 -1.3880 -1.3843 -1.3843 -1.3111 -1.3111 2.8616 2.8616 7.3267 7.3267 7.3708 7.3708 8.5043 8.5043 8.5938 8.5938 8.8582 8.8582 15.8136 15.8136 16.0516 16.0516 17.6237 17.6237 22.1774 22.1774 23.8724 23.8724 k = 0.0986 0.0986-0.0000 ( 1147 PWs) bands (ev): -1.8376 -1.8376 -1.8322 -1.8322 -1.3886 -1.3886 -1.3853 -1.3853 -1.3104 -1.3104 2.8166 2.8166 7.3219 7.3219 7.3599 7.3599 8.5234 8.5234 8.6021 8.6021 8.8706 8.8706 15.9175 15.9175 16.1659 16.1659 17.5562 17.5562 22.1209 22.1209 23.7044 23.7044 k = 0.0915 0.0915-0.0000 ( 1145 PWs) bands (ev): -1.8382 -1.8382 -1.8334 -1.8334 -1.3890 -1.3890 -1.3862 -1.3862 -1.3098 -1.3098 2.7746 2.7746 7.3175 7.3175 7.3499 7.3499 8.5415 8.5415 8.6099 8.6099 8.8826 8.8826 16.0205 16.0205 16.2777 16.2777 17.4933 17.4933 22.0560 22.0560 23.5523 23.5523 k = 0.0845 0.0845-0.0000 ( 1141 PWs) bands (ev): -1.8387 -1.8387 -1.8345 -1.8345 -1.3893 -1.3893 -1.3870 -1.3870 -1.3091 -1.3091 2.7356 2.7356 7.3133 7.3133 7.3406 7.3406 8.5585 8.5585 8.6173 8.6173 8.8943 8.8943 16.1217 16.1217 16.3864 16.3864 17.4354 17.4354 21.9818 21.9818 23.4177 23.4177 k = 0.0775 0.0775-0.0000 ( 1149 PWs) bands (ev): -1.8392 -1.8392 -1.8358 -1.8358 -1.3898 -1.3898 -1.3878 -1.3878 -1.3087 -1.3087 2.6996 2.6996 7.3093 7.3093 7.3319 7.3319 8.5743 8.5743 8.6240 8.6240 8.9053 8.9053 16.2201 16.2201 16.4916 16.4916 17.3827 17.3827 21.8985 21.8985 23.3010 23.3010 k = 0.0704 0.0704-0.0000 ( 1145 PWs) bands (ev): -1.8397 -1.8397 -1.8367 -1.8367 -1.3901 -1.3901 -1.3885 -1.3885 -1.3081 -1.3081 2.6667 2.6667 7.3056 7.3056 7.3242 7.3242 8.5889 8.5889 8.6302 8.6302 8.9157 8.9157 16.3143 16.3143 16.5928 16.5928 17.3355 17.3355 21.8073 21.8073 23.2023 23.2023 k = 0.0634 0.0634-0.0000 ( 1145 PWs) bands (ev): -1.8401 -1.8401 -1.8377 -1.8377 -1.3904 -1.3904 -1.3891 -1.3891 -1.3077 -1.3077 2.6369 2.6369 7.3022 7.3022 7.3171 7.3171 8.6022 8.6022 8.6359 8.6359 8.9254 8.9254 16.4030 16.4030 16.6894 16.6894 17.2942 17.2942 21.7102 21.7102 23.1204 23.1204 k = 0.0563 0.0563-0.0000 ( 1153 PWs) bands (ev): -1.8406 -1.8406 -1.8387 -1.8387 -1.3908 -1.3908 -1.3898 -1.3898 -1.3074 -1.3074 2.6102 2.6102 7.2991 7.2991 7.3107 7.3107 8.6141 8.6141 8.6409 8.6409 8.9342 8.9342 16.4846 16.4846 16.7806 16.7806 17.2593 17.2593 21.6102 21.6102 23.0537 23.0537 k = 0.0493 0.0493-0.0000 ( 1159 PWs) bands (ev): -1.8410 -1.8410 -1.8396 -1.8396 -1.3911 -1.3911 -1.3904 -1.3904 -1.3071 -1.3071 2.5866 2.5866 7.2962 7.2962 7.3050 7.3050 8.6247 8.6247 8.6454 8.6454 8.9421 8.9421 16.5574 16.5574 16.8657 16.8657 17.2311 17.2311 21.5108 21.5108 23.0000 23.0000 k = 0.0423 0.0423-0.0000 ( 1161 PWs) bands (ev): -1.8413 -1.8413 -1.8403 -1.8403 -1.3914 -1.3914 -1.3908 -1.3908 -1.3068 -1.3068 2.5661 2.5661 7.2938 7.2938 7.3002 7.3002 8.6340 8.6340 8.6493 8.6493 8.9492 8.9492 16.6200 16.6200 16.9437 16.9437 17.2101 17.2101 21.4155 21.4155 22.9576 22.9576 k = 0.0352 0.0352-0.0000 ( 1161 PWs) bands (ev): -1.8416 -1.8416 -1.8409 -1.8409 -1.3916 -1.3916 -1.3912 -1.3912 -1.3066 -1.3066 2.5488 2.5488 7.2917 7.2917 7.2961 7.2961 8.6420 8.6420 8.6526 8.6526 8.9552 8.9552 16.6712 16.6712 17.0134 17.0134 17.1960 17.1960 21.3278 21.3278 22.9245 22.9245 k = 0.0282 0.0282-0.0000 ( 1161 PWs) bands (ev): -1.8418 -1.8418 -1.8414 -1.8414 -1.3918 -1.3918 -1.3915 -1.3915 -1.3064 -1.3064 2.5346 2.5346 7.2900 7.2900 7.2928 7.2928 8.6485 8.6485 8.6553 8.6553 8.9603 8.9603 16.7107 16.7107 17.0733 17.0733 17.1883 17.1883 21.2509 21.2509 22.8992 22.8992 k = 0.0211 0.0211-0.0000 ( 1157 PWs) bands (ev): -1.8420 -1.8420 -1.8417 -1.8417 -1.3918 -1.3918 -1.3917 -1.3917 -1.3062 -1.3062 2.5235 2.5235 7.2887 7.2887 7.2902 7.2902 8.6536 8.6536 8.6575 8.6575 8.9643 8.9643 16.7390 16.7390 17.1220 17.1220 17.1856 17.1856 21.1877 21.1877 22.8807 22.8807 k = 0.0141 0.0141-0.0000 ( 1149 PWs) bands (ev): -1.8420 -1.8420 -1.8419 -1.8419 -1.3918 -1.3918 -1.3918 -1.3918 -1.3059 -1.3059 2.5156 2.5156 7.2878 7.2878 7.2884 7.2884 8.6573 8.6573 8.6591 8.6591 8.9672 8.9672 16.7576 16.7576 17.1580 17.1580 17.1859 17.1859 21.1406 21.1406 22.8681 22.8681 k = 0.0070 0.0070-0.0000 ( 1141 PWs) bands (ev): -1.8420 -1.8420 -1.8420 -1.8420 -1.3918 -1.3918 -1.3918 -1.3918 -1.3058 -1.3058 2.5109 2.5109 7.2872 7.2872 7.2874 7.2874 8.6597 8.6597 8.6601 8.6601 8.9691 8.9691 16.7679 16.7679 17.1802 17.1802 17.1871 17.1871 21.1116 21.1116 22.8608 22.8608 k = 0.0000 0.0000 0.0000 ( 1141 PWs) bands (ev): -1.8420 -1.8420 -1.8420 -1.8420 -1.3918 -1.3918 -1.3918 -1.3918 -1.3057 -1.3057 2.5093 2.5093 7.2870 7.2870 7.2870 7.2870 8.6604 8.6604 8.6604 8.6604 8.9696 8.9696 16.7711 16.7711 17.1876 17.1876 17.1876 17.1876 21.1018 21.1018 22.8583 22.8583 k = 0.0000 0.0000 0.0000 ( 1141 PWs) bands (ev): -1.8420 -1.8420 -1.8420 -1.8420 -1.3918 -1.3918 -1.3918 -1.3918 -1.3057 -1.3057 2.5093 2.5093 7.2870 7.2870 7.2870 7.2870 8.6604 8.6604 8.6604 8.6604 8.9696 8.9696 16.7711 16.7711 17.1876 17.1876 17.1876 17.1876 21.1018 21.1018 22.8583 22.8583 k = 0.0058 0.0058 0.0058 ( 1141 PWs) bands (ev): -1.8420 -1.8420 -1.8420 -1.8420 -1.3918 -1.3918 -1.3918 -1.3918 -1.3058 -1.3058 2.5109 2.5109 7.2873 7.2873 7.2873 7.2873 8.6597 8.6597 8.6601 8.6601 8.9690 8.9690 16.7678 16.7678 17.1825 17.1825 17.1845 17.1845 21.1118 21.1118 22.8634 22.8635 k = 0.0116 0.0116 0.0116 ( 1153 PWs) bands (ev): -1.8420 -1.8420 -1.8420 -1.8420 -1.3919 -1.3919 -1.3918 -1.3918 -1.3060 -1.3060 2.5158 2.5158 7.2880 7.2880 7.2882 7.2882 8.6573 8.6573 8.6589 8.6589 8.9671 8.9671 16.7579 16.7579 17.1673 17.1673 17.1750 17.1750 21.1418 21.1418 22.8783 22.8786 k = 0.0174 0.0174 0.0174 ( 1153 PWs) bands (ev): -1.8418 -1.8418 -1.8418 -1.8418 -1.3918 -1.3918 -1.3916 -1.3916 -1.3061 -1.3061 2.5238 2.5238 7.2893 7.2893 7.2898 7.2898 8.6537 8.6537 8.6573 8.6573 8.9642 8.9642 16.7416 16.7416 17.1427 17.1427 17.1593 17.1593 21.1911 21.1911 22.9031 22.9047 k = 0.0233 0.0233 0.0233 ( 1153 PWs) bands (ev): -1.8416 -1.8416 -1.8414 -1.8414 -1.3916 -1.3916 -1.3914 -1.3914 -1.3063 -1.3063 2.5351 2.5351 7.2911 7.2911 7.2921 7.2921 8.6487 8.6487 8.6549 8.6549 8.9601 8.9601 16.7189 16.7189 17.1093 17.1093 17.1376 17.1376 21.2589 21.2589 22.9377 22.9379 k = 0.0291 0.0291 0.0291 ( 1153 PWs) bands (ev): -1.8413 -1.8413 -1.8410 -1.8410 -1.3914 -1.3914 -1.3912 -1.3912 -1.3065 -1.3065 2.5497 2.5497 7.2934 7.2934 7.2949 7.2949 8.6422 8.6422 8.6520 8.6520 8.9549 8.9549 16.6900 16.6900 17.0682 17.0682 17.1101 17.1101 21.3441 21.3441 22.9818 22.9818 k = 0.0349 0.0349 0.0349 ( 1153 PWs) bands (ev): -1.8409 -1.8409 -1.8405 -1.8405 -1.3911 -1.3911 -1.3909 -1.3909 -1.3067 -1.3067 2.5674 2.5674 7.2962 7.2962 7.2985 7.2985 8.6344 8.6344 8.6484 8.6484 8.9486 8.9486 16.6553 16.6553 17.0205 17.0205 17.0772 17.0772 21.4455 21.4455 23.0352 23.0353 k = 0.0407 0.0407 0.0407 ( 1150 PWs) bands (ev): -1.8405 -1.8405 -1.8398 -1.8398 -1.3908 -1.3908 -1.3905 -1.3905 -1.3070 -1.3070 2.5883 2.5883 7.2995 7.2995 7.3027 7.3027 8.6253 8.6253 8.6441 8.6441 8.9413 8.9413 16.6151 16.6151 16.9674 16.9674 17.0392 17.0392 21.5618 21.5618 23.0976 23.0976 k = 0.0465 0.0465 0.0465 ( 1144 PWs) bands (ev): -1.8400 -1.8400 -1.8389 -1.8389 -1.3902 -1.3902 -1.3901 -1.3901 -1.3073 -1.3073 2.6124 2.6124 7.3034 7.3034 7.3077 7.3077 8.6149 8.6149 8.6392 8.6392 8.9328 8.9328 16.5698 16.5698 16.9100 16.9100 16.9964 16.9964 21.6918 21.6918 23.1688 23.1689 k = 0.0523 0.0523 0.0523 ( 1144 PWs) bands (ev): -1.8395 -1.8395 -1.8381 -1.8381 -1.3898 -1.3898 -1.3896 -1.3896 -1.3078 -1.3078 2.6397 2.6397 7.3077 7.3077 7.3132 7.3132 8.6032 8.6032 8.6336 8.6336 8.9233 8.9233 16.5198 16.5198 16.8491 16.8491 16.9493 16.9493 21.8342 21.8342 23.2483 23.2484 k = 0.0581 0.0581 0.0581 ( 1147 PWs) bands (ev): -1.8389 -1.8389 -1.8373 -1.8373 -1.3893 -1.3893 -1.3892 -1.3892 -1.3083 -1.3083 2.6702 2.6702 7.3126 7.3126 7.3194 7.3194 8.5902 8.5902 8.6274 8.6274 8.9128 8.9128 16.4657 16.4657 16.7857 16.7857 16.8983 16.8983 21.9879 21.9879 23.3358 23.3358 k = 0.0640 0.0640 0.0640 ( 1141 PWs) bands (ev): -1.8382 -1.8382 -1.8363 -1.8363 -1.3887 -1.3887 -1.3886 -1.3886 -1.3088 -1.3088 2.7038 2.7038 7.3180 7.3180 7.3264 7.3264 8.5762 8.5762 8.6207 8.6207 8.9014 8.9014 16.4080 16.4080 16.7205 16.7205 16.8438 16.8438 22.1518 22.1518 23.4311 23.4311 k = 0.0698 0.0698 0.0698 ( 1141 PWs) bands (ev): -1.8376 -1.8376 -1.8353 -1.8353 -1.3881 -1.3881 -1.3881 -1.3881 -1.3093 -1.3093 2.7405 2.7405 7.3239 7.3239 7.3340 7.3340 8.5612 8.5612 8.6132 8.6132 8.8890 8.8890 16.3473 16.3473 16.6538 16.6538 16.7862 16.7862 22.3249 22.3249 23.5337 23.5337 k = 0.0756 0.0756 0.0756 ( 1141 PWs) bands (ev): -1.8368 -1.8368 -1.8343 -1.8343 -1.3875 -1.3875 -1.3875 -1.3875 -1.3100 -1.3100 2.7802 2.7802 7.3302 7.3302 7.3422 7.3422 8.5453 8.5453 8.6052 8.6052 8.8757 8.8757 16.2843 16.2843 16.5862 16.5862 16.7259 16.7259 22.5064 22.5064 23.6433 23.6433 k = 0.0814 0.0814 0.0814 ( 1141 PWs) bands (ev): -1.8361 -1.8361 -1.8332 -1.8332 -1.3868 -1.3868 -1.3868 -1.3868 -1.3107 -1.3107 2.8231 2.8231 7.3370 7.3370 7.3512 7.3512 8.5285 8.5285 8.5966 8.5966 8.8615 8.8615 16.2196 16.2196 16.5180 16.5180 16.6633 16.6633 22.6954 22.6954 23.7595 23.7595 k = 0.0872 0.0872 0.0872 ( 1132 PWs) bands (ev): -1.8351 -1.8351 -1.8320 -1.8320 -1.3861 -1.3861 -1.3859 -1.3859 -1.3114 -1.3114 2.8690 2.8690 7.3444 7.3444 7.3610 7.3610 8.5110 8.5110 8.5875 8.5875 8.8466 8.8466 16.1536 16.1536 16.4493 16.4493 16.5989 16.5989 22.8911 22.8911 23.8822 23.8822 k = 0.0930 0.0930 0.0930 ( 1132 PWs) bands (ev): -1.8343 -1.8343 -1.8308 -1.8308 -1.3854 -1.3854 -1.3852 -1.3852 -1.3123 -1.3123 2.9178 2.9178 7.3522 7.3522 7.3714 7.3714 8.4928 8.4928 8.5777 8.5777 8.8307 8.8307 16.0870 16.0870 16.3804 16.3804 16.5328 16.5328 23.0926 23.0926 24.0109 24.0109 k = 0.0988 0.0988 0.0988 ( 1132 PWs) bands (ev): -1.8334 -1.8334 -1.8297 -1.8297 -1.3847 -1.3847 -1.3843 -1.3843 -1.3133 -1.3133 2.9696 2.9696 7.3604 7.3604 7.3825 7.3825 8.4742 8.4742 8.5675 8.5675 8.8141 8.8141 16.0201 16.0201 16.3115 16.3115 16.4656 16.4656 23.2993 23.2993 24.1454 24.1454 k = 0.1047 0.1047 0.1047 ( 1132 PWs) bands (ev): -1.8325 -1.8325 -1.8285 -1.8285 -1.3840 -1.3840 -1.3835 -1.3835 -1.3143 -1.3143 3.0243 3.0243 7.3690 7.3690 7.3944 7.3944 8.4551 8.4551 8.5567 8.5567 8.7968 8.7968 15.9534 15.9534 16.2427 16.2427 16.3974 16.3974 23.5102 23.5102 24.2853 24.2853 k = 0.1105 0.1105 0.1105 ( 1135 PWs) bands (ev): -1.8316 -1.8316 -1.8273 -1.8273 -1.3832 -1.3832 -1.3826 -1.3826 -1.3154 -1.3154 3.0819 3.0819 7.3780 7.3780 7.4070 7.4070 8.4358 8.4358 8.5455 8.5455 8.7788 8.7788 15.8872 15.8872 16.1742 16.1742 16.3286 16.3286 23.7245 23.7245 24.4303 24.4303 k = 0.1163 0.1163 0.1163 ( 1129 PWs) bands (ev): -1.8307 -1.8307 -1.8260 -1.8260 -1.3824 -1.3824 -1.3815 -1.3815 -1.3166 -1.3166 3.1422 3.1422 7.3874 7.3874 7.4204 7.4204 8.4164 8.4164 8.5339 8.5339 8.7602 8.7602 15.8217 15.8217 16.1060 16.1060 16.2596 16.2596 23.9409 23.9409 24.5804 24.5804 k = 0.1221 0.1221 0.1221 ( 1135 PWs) bands (ev): -1.8298 -1.8298 -1.8249 -1.8249 -1.3816 -1.3816 -1.3805 -1.3805 -1.3180 -1.3180 3.2052 3.2052 7.3970 7.3970 7.4345 7.4345 8.3970 8.3970 8.5218 8.5218 8.7410 8.7410 15.7571 15.7571 16.0384 16.0384 16.1904 16.1904 24.1581 24.1581 24.7348 24.7348 k = 0.1279 0.1279 0.1279 ( 1135 PWs) bands (ev): -1.8288 -1.8288 -1.8237 -1.8237 -1.3808 -1.3808 -1.3795 -1.3795 -1.3193 -1.3193 3.2709 3.2709 7.4070 7.4070 7.4494 7.4494 8.3778 8.3778 8.5094 8.5094 8.7213 8.7213 15.6937 15.6937 15.9715 15.9715 16.1214 16.1214 24.3740 24.3740 24.8931 24.8931 k = 0.1337 0.1337 0.1337 ( 1123 PWs) bands (ev): -1.8277 -1.8277 -1.8224 -1.8224 -1.3798 -1.3798 -1.3782 -1.3782 -1.3207 -1.3207 3.3391 3.3391 7.4173 7.4173 7.4652 7.4652 8.3589 8.3589 8.4970 8.4970 8.7014 8.7014 15.6315 15.6315 15.9055 15.9055 16.0528 16.0528 24.5859 24.5859 25.0547 25.0547 k = 0.1395 0.1395 0.1395 ( 1123 PWs) bands (ev): -1.8267 -1.8267 -1.8213 -1.8213 -1.3789 -1.3789 -1.3771 -1.3771 -1.3222 -1.3222 3.4098 3.4098 7.4276 7.4276 7.4816 7.4816 8.3402 8.3402 8.4842 8.4842 8.6811 8.6811 15.5705 15.5705 15.8403 15.8403 15.9848 15.9848 24.7889 24.7889 25.2177 25.2177 k = 0.1453 0.1453 0.1453 ( 1123 PWs) bands (ev): -1.8257 -1.8257 -1.8202 -1.8202 -1.3779 -1.3779 -1.3759 -1.3759 -1.3239 -1.3239 3.4829 3.4829 7.4380 7.4380 7.4989 7.4989 8.3219 8.3219 8.4714 8.4714 8.6606 8.6606 15.5109 15.5109 15.7762 15.7762 15.9176 15.9176 24.9753 24.9753 25.3794 25.3794 k = 0.1512 0.1512 0.1512 ( 1129 PWs) bands (ev): -1.8248 -1.8248 -1.8192 -1.8192 -1.3770 -1.3770 -1.3746 -1.3746 -1.3257 -1.3257 3.5582 3.5582 7.4484 7.4484 7.5168 7.5168 8.3039 8.3039 8.4585 8.4585 8.6402 8.6402 15.4526 15.4526 15.7134 15.7134 15.8514 15.8514 25.1304 25.1304 25.5340 25.5341 k = 0.1570 0.1570 0.1570 ( 1129 PWs) bands (ev): -1.8239 -1.8239 -1.8182 -1.8182 -1.3760 -1.3760 -1.3733 -1.3733 -1.3275 -1.3275 3.6357 3.6357 7.4587 7.4587 7.5357 7.5357 8.2866 8.2866 8.4458 8.4458 8.6201 8.6201 15.3957 15.3957 15.6518 15.6518 15.7863 15.7863 25.2283 25.2283 25.6719 25.6719 k = 0.1628 0.1628 0.1628 ( 1129 PWs) bands (ev): -1.8229 -1.8229 -1.8173 -1.8173 -1.3750 -1.3750 -1.3719 -1.3719 -1.3294 -1.3294 3.7152 3.7152 7.4687 7.4687 7.5553 7.5553 8.2697 8.2697 8.4333 8.4333 8.6006 8.6006 15.3400 15.3400 15.5917 15.5917 15.7224 15.7224 25.2360 25.2360 25.7768 25.7768 k = 0.1686 0.1686 0.1686 ( 1129 PWs) bands (ev): -1.8220 -1.8220 -1.8164 -1.8164 -1.3739 -1.3739 -1.3705 -1.3705 -1.3314 -1.3314 3.7965 3.7965 7.4784 7.4784 7.5758 7.5758 8.2530 8.2530 8.4213 8.4213 8.5820 8.5820 15.2856 15.2856 15.5331 15.5331 15.6600 15.6600 25.1450 25.1450 25.8176 25.8176 k = 0.1744 0.1744 0.1744 ( 1129 PWs) bands (ev): -1.8211 -1.8211 -1.8156 -1.8156 -1.3728 -1.3728 -1.3691 -1.3691 -1.3335 -1.3335 3.8795 3.8795 7.4875 7.4875 7.5971 7.5971 8.2366 8.2366 8.4097 8.4097 8.5647 8.5647 15.2324 15.2324 15.4762 15.4762 15.5992 15.5992 24.9821 24.9821 25.7604 25.7604 k = 0.1802 0.1802 0.1802 ( 1129 PWs) bands (ev): -1.8202 -1.8202 -1.8149 -1.8149 -1.3716 -1.3716 -1.3676 -1.3676 -1.3357 -1.3357 3.9641 3.9641 7.4960 7.4960 7.6193 7.6193 8.2200 8.2200 8.3990 8.3990 8.5492 8.5492 15.1802 15.1802 15.4210 15.4210 15.5401 15.5401 24.7788 24.7788 25.6203 25.6203 k = 0.1860 0.1860 0.1860 ( 1135 PWs) bands (ev): -1.8194 -1.8194 -1.8143 -1.8143 -1.3705 -1.3705 -1.3661 -1.3661 -1.3379 -1.3379 4.0500 4.0500 7.5035 7.5035 7.6423 7.6423 8.2031 8.2031 8.3890 8.3890 8.5360 8.5360 15.1290 15.1290 15.3676 15.3676 15.4827 15.4827 24.5546 24.5546 25.4371 25.4371 k = 0.1919 0.1919 0.1919 ( 1135 PWs) bands (ev): -1.8187 -1.8187 -1.8136 -1.8136 -1.3692 -1.3692 -1.3646 -1.3646 -1.3402 -1.3402 4.1371 4.1371 7.5100 7.5100 7.6663 7.6663 8.1855 8.1855 8.3803 8.3803 8.5259 8.5259 15.0788 15.0788 15.3161 15.3161 15.4273 15.4273 24.3201 24.3201 25.2349 25.2349 k = 0.1977 0.1977 0.1977 ( 1135 PWs) bands (ev): -1.8179 -1.8179 -1.8131 -1.8131 -1.3679 -1.3679 -1.3629 -1.3629 -1.3425 -1.3425 4.2251 4.2251 7.5153 7.5153 7.6912 7.6912 8.1669 8.1669 8.3729 8.3729 8.5193 8.5193 15.0293 15.0293 15.2666 15.2666 15.3738 15.3738 24.0808 24.0808 25.0241 25.0241 k = 0.2035 0.2035 0.2035 ( 1135 PWs) bands (ev): -1.8171 -1.8171 -1.8127 -1.8127 -1.3665 -1.3665 -1.3613 -1.3613 -1.3450 -1.3450 4.3138 4.3138 7.5191 7.5191 7.7171 7.7171 8.1471 8.1471 8.3671 8.3671 8.5168 8.5168 14.9804 14.9804 15.2191 15.2191 15.3225 15.3225 23.8398 23.8398 24.8094 24.8094 k = 0.2093 0.2093 0.2093 ( 1135 PWs) bands (ev): -1.8164 -1.8164 -1.8123 -1.8123 -1.3651 -1.3651 -1.3595 -1.3595 -1.3474 -1.3474 4.4030 4.4030 7.5213 7.5213 7.7438 7.7438 8.1258 8.1258 8.3630 8.3630 8.5188 8.5188 14.9320 14.9320 15.1739 15.1739 15.2733 15.2733 23.5992 23.5992 24.5932 24.5932 k = 0.2151 0.2151 0.2151 ( 1135 PWs) bands (ev): -1.8156 -1.8156 -1.8120 -1.8120 -1.3635 -1.3635 -1.3578 -1.3578 -1.3499 -1.3499 4.4923 4.4923 7.5217 7.5217 7.7714 7.7714 8.1032 8.1032 8.3609 8.3609 8.5258 8.5258 14.8840 14.8840 15.1308 15.1308 15.2264 15.2264 23.3602 23.3602 24.3769 24.3769 k = 0.2209 0.2209 0.2209 ( 1135 PWs) bands (ev): -1.8150 -1.8150 -1.8118 -1.8118 -1.3620 -1.3620 -1.3559 -1.3559 -1.3524 -1.3524 4.5816 4.5816 7.5200 7.5200 7.7996 7.7996 8.0795 8.0795 8.3609 8.3609 8.5380 8.5380 14.8362 14.8362 15.0900 15.0900 15.1818 15.1818 23.1237 23.1237 24.1612 24.1612 k = 0.2267 0.2267 0.2267 ( 1135 PWs) bands (ev): -1.8144 -1.8144 -1.8117 -1.8117 -1.3606 -1.3606 -1.3549 -1.3549 -1.3541 -1.3541 4.6705 4.6705 7.5162 7.5162 7.8278 7.8278 8.0553 8.0553 8.3632 8.3632 8.5558 8.5558 14.7886 14.7886 15.0515 15.0515 15.1396 15.1396 22.8904 22.8904 23.9465 23.9465 k = 0.2326 0.2326 0.2326 ( 1132 PWs) bands (ev): -1.8138 -1.8138 -1.8116 -1.8116 -1.3597 -1.3597 -1.3566 -1.3566 -1.3521 -1.3521 4.7588 4.7588 7.5102 7.5102 7.8549 7.8549 8.0322 8.0322 8.3679 8.3679 8.5791 8.5791 14.7409 14.7409 15.0154 15.0154 15.0999 15.0999 22.6608 22.6608 23.7332 23.7332 k = 0.2384 0.2384 0.2384 ( 1138 PWs) bands (ev): -1.8133 -1.8133 -1.8117 -1.8117 -1.3612 -1.3612 -1.3561 -1.3561 -1.3503 -1.3503 4.8461 4.8461 7.5020 7.5020 7.8772 7.8772 8.0135 8.0135 8.3748 8.3748 8.6082 8.6082 14.6930 14.6930 14.9816 14.9816 15.0627 15.0627 22.4352 22.4352 23.5213 23.5213 k = 0.2442 0.2442 0.2442 ( 1138 PWs) bands (ev): -1.8129 -1.8129 -1.8117 -1.8117 -1.3636 -1.3636 -1.3545 -1.3545 -1.3483 -1.3483 4.9323 4.9323 7.4915 7.4915 7.8876 7.8876 8.0071 8.0071 8.3843 8.3843 8.6431 8.6431 14.6448 14.6448 14.9503 14.9503 15.0280 15.0280 22.2140 22.2140 23.3112 23.3112 k = 0.2500 0.2500 0.2500 ( 1138 PWs) bands (ev): -1.8124 -1.8124 -1.8119 -1.8119 -1.3662 -1.3662 -1.3527 -1.3527 -1.3463 -1.3463 5.0169 5.0169 7.4790 7.4790 7.8795 7.8795 8.0194 8.0194 8.3960 8.3960 8.6842 8.6842 14.5962 14.5962 14.9215 14.9215 14.9960 14.9960 21.9976 21.9976 23.1029 23.1029 k = 0.2558 0.2558 0.2558 ( 1138 PWs) bands (ev): -1.8120 -1.8120 -1.8120 -1.8120 -1.3688 -1.3688 -1.3508 -1.3508 -1.3442 -1.3442 5.0998 5.0998 7.4643 7.4643 7.8576 7.8576 8.0457 8.0457 8.4101 8.4101 8.7315 8.7315 14.5471 14.5471 14.8952 14.8952 14.9666 14.9666 21.7862 21.7862 22.8965 22.8965 k = 0.2616 0.2616 0.2616 ( 1138 PWs) bands (ev): -1.8123 -1.8123 -1.8117 -1.8117 -1.3714 -1.3714 -1.3488 -1.3488 -1.3421 -1.3421 5.1807 5.1807 7.4477 7.4477 7.8290 7.8290 8.0791 8.0791 8.4262 8.4262 8.7853 8.7853 14.4973 14.4973 14.8714 14.8714 14.9399 14.9399 21.5800 21.5800 22.6920 22.6920 k = 0.2674 0.2674 0.2674 ( 1139 PWs) bands (ev): -1.8126 -1.8126 -1.8114 -1.8114 -1.3741 -1.3741 -1.3467 -1.3467 -1.3400 -1.3400 5.2593 5.2593 7.4293 7.4293 7.7971 7.7971 8.1160 8.1160 8.4444 8.4444 8.8457 8.8457 14.4468 14.4468 14.8501 14.8501 14.9160 14.9160 21.3792 21.3792 22.4895 22.4895 k = 0.2733 0.2733 0.2733 ( 1139 PWs) bands (ev): -1.8129 -1.8129 -1.8111 -1.8111 -1.3767 -1.3767 -1.3446 -1.3446 -1.3379 -1.3379 5.3356 5.3356 7.4093 7.4093 7.7634 7.7634 8.1550 8.1550 8.4644 8.4644 8.9130 8.9130 14.3956 14.3956 14.8314 14.8314 14.8948 14.8948 21.1841 21.1841 22.2891 22.2891 k = 0.2791 0.2791 0.2791 ( 1145 PWs) bands (ev): -1.8133 -1.8133 -1.8109 -1.8109 -1.3793 -1.3793 -1.3425 -1.3425 -1.3358 -1.3358 5.4093 5.4093 7.3878 7.3878 7.7286 7.7286 8.1953 8.1953 8.4860 8.4860 8.9873 8.9873 14.3434 14.3434 14.8152 14.8152 14.8765 14.8765 20.9948 20.9948 22.0907 22.0907 k = 0.2849 0.2849 0.2849 ( 1142 PWs) bands (ev): -1.8136 -1.8136 -1.8107 -1.8107 -1.3818 -1.3818 -1.3402 -1.3402 -1.3336 -1.3336 5.4804 5.4804 7.3651 7.3651 7.6931 7.6931 8.2365 8.2365 8.5092 8.5092 9.0687 9.0687 14.2903 14.2903 14.8017 14.8017 14.8610 14.8610 20.8115 20.8115 21.8945 21.8945 k = 0.2907 0.2907 0.2907 ( 1142 PWs) bands (ev): -1.8139 -1.8139 -1.8106 -1.8106 -1.3843 -1.3843 -1.3379 -1.3379 -1.3314 -1.3314 5.5487 5.5487 7.3412 7.3412 7.6571 7.6571 8.2783 8.2783 8.5337 8.5337 9.1572 9.1572 14.2362 14.2362 14.7907 14.7907 14.8484 14.8484 20.6342 20.6342 21.7004 21.7004 k = 0.2965 0.2965 0.2965 ( 1136 PWs) bands (ev): -1.8143 -1.8143 -1.8104 -1.8104 -1.3867 -1.3867 -1.3355 -1.3355 -1.3291 -1.3291 5.6143 5.6143 7.3165 7.3165 7.6210 7.6210 8.3204 8.3204 8.5595 8.5595 9.2528 9.2528 14.1813 14.1813 14.7824 14.7824 14.8387 14.8387 20.4631 20.4631 21.5085 21.5085 k = 0.3023 0.3023 0.3023 ( 1124 PWs) bands (ev): -1.8145 -1.8145 -1.8102 -1.8102 -1.3890 -1.3890 -1.3330 -1.3330 -1.3266 -1.3266 5.6772 5.6772 7.2909 7.2909 7.5848 7.5848 8.3627 8.3627 8.5864 8.5864 9.3554 9.3554 14.1254 14.1254 14.7768 14.7768 14.8320 14.8320 20.2983 20.2983 21.3188 21.3188 k = 0.3081 0.3081 0.3081 ( 1124 PWs) bands (ev): -1.8149 -1.8149 -1.8101 -1.8101 -1.3913 -1.3913 -1.3306 -1.3306 -1.3244 -1.3244 5.7373 5.7373 7.2647 7.2647 7.5486 7.5486 8.4049 8.4049 8.6140 8.6140 9.4646 9.4646 14.0687 14.0687 14.7738 14.7738 14.8282 14.8282 20.1399 20.1399 21.1312 21.1312 k = 0.3140 0.3140 0.3140 ( 1124 PWs) bands (ev): -1.8152 -1.8152 -1.8101 -1.8101 -1.3936 -1.3936 -1.3282 -1.3282 -1.3221 -1.3221 5.7949 5.7949 7.2379 7.2379 7.5124 7.5124 8.4469 8.4469 8.6423 8.6423 9.5804 9.5804 14.0113 14.0113 14.7735 14.7735 14.8274 14.8274 19.9879 19.9879 20.9459 20.9459 k = 0.3198 0.3198 0.3198 ( 1124 PWs) bands (ev): -1.8156 -1.8156 -1.8101 -1.8101 -1.3958 -1.3958 -1.3257 -1.3257 -1.3199 -1.3199 5.8499 5.8499 7.2107 7.2107 7.4765 7.4765 8.4887 8.4887 8.6712 8.6712 9.7023 9.7023 13.9534 13.9534 14.7759 14.7759 14.8297 14.8297 19.8422 19.8422 20.7628 20.7628 k = 0.3256 0.3256 0.3256 ( 1118 PWs) bands (ev): -1.8158 -1.8158 -1.8101 -1.8101 -1.3979 -1.3979 -1.3232 -1.3232 -1.3175 -1.3175 5.9025 5.9025 7.1834 7.1834 7.4410 7.4410 8.5303 8.5303 8.7007 8.7007 9.8300 9.8300 13.8952 13.8952 14.7810 14.7810 14.8350 14.8350 19.7030 19.7030 20.5820 20.5820 k = 0.3314 0.3314 0.3314 ( 1118 PWs) bands (ev): -1.8161 -1.8161 -1.8102 -1.8102 -1.4000 -1.4000 -1.3207 -1.3207 -1.3152 -1.3152 5.9529 5.9529 7.1558 7.1558 7.4059 7.4059 8.5714 8.5714 8.7304 8.7304 9.9629 9.9629 13.8371 13.8371 14.7889 14.7889 14.8434 14.8434 19.5700 19.5700 20.4035 20.4035 k = 0.3372 0.3372 0.3372 ( 1118 PWs) bands (ev): -1.8164 -1.8164 -1.8103 -1.8103 -1.4020 -1.4020 -1.3182 -1.3182 -1.3130 -1.3130 6.0011 6.0011 7.1283 7.1283 7.3713 7.3713 8.6121 8.6121 8.7602 8.7602 10.1005 10.1005 13.7794 13.7794 14.7996 14.7996 14.8549 14.8549 19.4434 19.4434 20.2273 20.2273 k = 0.3430 0.3430 0.3430 ( 1124 PWs) bands (ev): -1.8168 -1.8168 -1.8104 -1.8104 -1.4040 -1.4040 -1.3158 -1.3158 -1.3108 -1.3108 6.0472 6.0472 7.1009 7.1009 7.3372 7.3372 8.6522 8.6522 8.7901 8.7901 10.2419 10.2419 13.7227 13.7227 14.8130 14.8130 14.8695 14.8695 19.3228 19.3228 20.0535 20.0535 k = 0.3488 0.3488 0.3488 ( 1124 PWs) bands (ev): -1.8170 -1.8170 -1.8106 -1.8106 -1.4058 -1.4058 -1.3134 -1.3134 -1.3086 -1.3086 6.0915 6.0915 7.0736 7.0736 7.3039 7.3039 8.6918 8.6918 8.8199 8.8199 10.3868 10.3868 13.6676 13.6676 14.8293 14.8293 14.8872 14.8872 19.2082 19.2082 19.8820 19.8820 k = 0.3547 0.3547 0.3547 ( 1124 PWs) bands (ev): -1.8171 -1.8171 -1.8107 -1.8107 -1.4075 -1.4075 -1.3109 -1.3109 -1.3064 -1.3064 6.1340 6.1340 7.0466 7.0466 7.2713 7.2713 8.7308 8.7308 8.8497 8.8497 10.5340 10.5340 13.6149 13.6149 14.8485 14.8485 14.9081 14.9081 19.0995 19.0995 19.7130 19.7130 k = 0.3605 0.3605 0.3605 ( 1124 PWs) bands (ev): -1.8172 -1.8172 -1.8109 -1.8109 -1.4092 -1.4092 -1.3085 -1.3085 -1.3042 -1.3042 6.1749 6.1749 7.0200 7.0200 7.2395 7.2395 8.7691 8.7691 8.8791 8.8791 10.6825 10.6825 13.5657 13.5657 14.8705 14.8705 14.9322 14.9322 18.9963 18.9963 19.5463 19.5463 k = 0.3663 0.3663 0.3663 ( 1124 PWs) bands (ev): -1.8173 -1.8173 -1.8111 -1.8111 -1.4108 -1.4108 -1.3061 -1.3061 -1.3021 -1.3021 6.2141 6.2141 6.9939 6.9939 7.2087 7.2087 8.8066 8.8066 8.9082 8.9082 10.8309 10.8309 13.5213 13.5213 14.8954 14.8954 14.9595 14.9595 18.8984 18.8984 19.3822 19.3822 k = 0.3721 0.3721 0.3721 ( 1121 PWs) bands (ev): -1.8173 -1.8173 -1.8113 -1.8113 -1.4122 -1.4122 -1.3037 -1.3037 -1.3000 -1.3000 6.2520 6.2520 6.9683 6.9683 7.1788 7.1788 8.8433 8.8433 8.9368 8.9368 10.9777 10.9777 13.4832 13.4832 14.9233 14.9233 14.9900 14.9900 18.8057 18.8057 19.2204 19.2204 k = 0.3779 0.3779 0.3779 ( 1121 PWs) bands (ev): -1.8173 -1.8173 -1.8115 -1.8115 -1.4136 -1.4136 -1.3014 -1.3014 -1.2979 -1.2979 6.2883 6.2883 6.9434 6.9434 7.1500 7.1500 8.8790 8.8790 8.9649 8.9649 11.1209 11.1209 13.4536 13.4536 14.9542 14.9542 15.0237 15.0237 18.7176 18.7176 19.0613 19.0613 k = 0.3837 0.3837 0.3837 ( 1121 PWs) bands (ev): -1.8173 -1.8173 -1.8117 -1.8117 -1.4150 -1.4150 -1.2991 -1.2991 -1.2959 -1.2959 6.3232 6.3232 6.9191 6.9191 7.1223 7.1223 8.9138 8.9138 8.9923 8.9923 11.2579 11.2579 13.4348 13.4348 14.9880 14.9880 15.0607 15.0607 18.6338 18.6338 18.9046 18.9046 k = 0.3895 0.3895 0.3895 ( 1121 PWs) bands (ev): -1.8172 -1.8172 -1.8119 -1.8119 -1.4162 -1.4162 -1.2969 -1.2969 -1.2940 -1.2940 6.3567 6.3567 6.8956 6.8956 7.0958 7.0958 8.9475 8.9475 9.0189 9.0189 11.3860 11.3860 13.4298 13.4298 15.0248 15.0248 15.1010 15.1010 18.5539 18.5539 18.7505 18.7505 k = 0.3953 0.3953 0.3953 ( 1121 PWs) bands (ev): -1.8171 -1.8171 -1.8121 -1.8121 -1.4174 -1.4174 -1.2948 -1.2948 -1.2921 -1.2921 6.3888 6.3888 6.8729 6.8729 7.0705 7.0705 8.9801 8.9801 9.0447 9.0447 11.5020 11.5020 13.4418 13.4418 15.0647 15.0647 15.1445 15.1445 18.4774 18.4774 18.5991 18.5991 k = 0.4012 0.4012 0.4012 ( 1121 PWs) bands (ev): -1.8170 -1.8170 -1.8123 -1.8123 -1.4185 -1.4185 -1.2927 -1.2927 -1.2903 -1.2903 6.4194 6.4194 6.8511 6.8511 7.0467 7.0467 9.0114 9.0114 9.0696 9.0696 11.6028 11.6028 13.4742 13.4742 15.1076 15.1076 15.1914 15.1914 18.4035 18.4035 18.4507 18.4507 k = 0.4070 0.4070 0.4070 ( 1121 PWs) bands (ev): -1.8169 -1.8169 -1.8125 -1.8125 -1.4195 -1.4195 -1.2908 -1.2908 -1.2886 -1.2886 6.4485 6.4485 6.8302 6.8302 7.0242 7.0242 9.0415 9.0415 9.0935 9.0935 11.6858 11.6858 13.5294 13.5294 15.1536 15.1536 15.2415 15.2415 18.3028 18.3028 18.3338 18.3338 k = 0.4128 0.4128 0.4128 ( 1121 PWs) bands (ev): -1.8167 -1.8167 -1.8127 -1.8127 -1.4204 -1.4204 -1.2888 -1.2888 -1.2870 -1.2870 6.4761 6.4761 6.8103 6.8103 7.0033 7.0033 9.0702 9.0702 9.1163 9.1163 11.7497 11.7497 13.6089 13.6089 15.2028 15.2028 15.2949 15.2949 18.1601 18.1601 18.2633 18.2633 k = 0.4186 0.4186 0.4186 ( 1112 PWs) bands (ev): -1.8165 -1.8165 -1.8128 -1.8128 -1.4212 -1.4212 -1.2869 -1.2869 -1.2852 -1.2852 6.5020 6.5020 6.7916 6.7916 6.9841 6.9841 9.0976 9.0976 9.1381 9.1381 11.7950 11.7950 13.7125 13.7125 15.2550 15.2550 15.3516 15.3516 18.0195 18.0195 18.1939 18.1939 k = 0.4244 0.4244 0.4244 ( 1112 PWs) bands (ev): -1.8163 -1.8163 -1.8130 -1.8130 -1.4219 -1.4219 -1.2852 -1.2852 -1.2838 -1.2838 6.5261 6.5261 6.7738 6.7738 6.9665 6.9665 9.1233 9.1233 9.1585 9.1585 11.8233 11.8233 13.8383 13.8383 15.3104 15.3104 15.4116 15.4116 17.8817 17.8817 18.0735 18.0735 k = 0.4302 0.4302 0.4302 ( 1106 PWs) bands (ev): -1.8161 -1.8161 -1.8131 -1.8131 -1.4226 -1.4226 -1.2835 -1.2835 -1.2822 -1.2822 6.5483 6.5483 6.7573 6.7573 6.9506 6.9506 9.1476 9.1476 9.1779 9.1779 11.8376 11.8376 13.9836 13.9836 15.3690 15.3690 15.4748 15.4748 17.7468 17.7468 17.9349 17.9349 k = 0.4360 0.4360 0.4360 ( 1106 PWs) bands (ev): -1.8159 -1.8159 -1.8133 -1.8133 -1.4233 -1.4233 -1.2820 -1.2820 -1.2809 -1.2809 6.5685 6.5685 6.7418 6.7418 6.9366 6.9366 9.1701 9.1701 9.1958 9.1958 11.8408 11.8408 14.1453 14.1453 15.4307 15.4307 15.5414 15.5414 17.6147 17.6147 17.7990 17.7990 k = 0.4419 0.4419 0.4419 ( 1103 PWs) bands (ev): -1.8157 -1.8157 -1.8135 -1.8135 -1.4239 -1.4239 -1.2805 -1.2805 -1.2797 -1.2797 6.5866 6.5866 6.7277 6.7277 6.9245 6.9245 9.1910 9.1910 9.2123 9.2123 11.8360 11.8360 14.3204 14.3204 15.4956 15.4956 15.6112 15.6112 17.4857 17.4857 17.6658 17.6658 k = 0.4477 0.4477 0.4477 ( 1100 PWs) bands (ev): -1.8155 -1.8155 -1.8136 -1.8136 -1.4243 -1.4243 -1.2792 -1.2792 -1.2785 -1.2785 6.6025 6.6025 6.7147 6.7147 6.9143 6.9143 9.2100 9.2100 9.2275 9.2275 11.8257 11.8257 14.5059 14.5059 15.5637 15.5637 15.6843 15.6843 17.3599 17.3599 17.5353 17.5353 k = 0.4535 0.4535 0.4535 ( 1094 PWs) bands (ev): -1.8152 -1.8152 -1.8137 -1.8137 -1.4247 -1.4247 -1.2780 -1.2780 -1.2774 -1.2774 6.6162 6.6162 6.7031 6.7031 6.9061 6.9061 9.2273 9.2273 9.2412 9.2412 11.8121 11.8121 14.6996 14.6996 15.6351 15.6351 15.7607 15.7607 17.2374 17.2374 17.4075 17.4075 k = 0.4593 0.4593 0.4593 ( 1088 PWs) bands (ev): -1.8149 -1.8149 -1.8138 -1.8138 -1.4250 -1.4250 -1.2770 -1.2770 -1.2765 -1.2765 6.6278 6.6278 6.6928 6.6928 6.8997 6.8997 9.2426 9.2426 9.2533 9.2533 11.7969 11.7969 14.8992 14.8992 15.7098 15.7098 15.8402 15.8402 17.1183 17.1183 17.2826 17.2826 k = 0.4651 0.4651 0.4651 ( 1088 PWs) bands (ev): -1.8147 -1.8147 -1.8139 -1.8139 -1.4254 -1.4254 -1.2761 -1.2761 -1.2757 -1.2757 6.6371 6.6371 6.6837 6.6837 6.8949 6.8949 9.2560 9.2560 9.2639 9.2639 11.7815 11.7815 15.1022 15.1022 15.7881 15.7881 15.9230 15.9230 17.0031 17.0031 17.1604 17.1604 k = 0.4709 0.4709 0.4709 ( 1088 PWs) bands (ev): -1.8146 -1.8146 -1.8140 -1.8140 -1.4256 -1.4256 -1.2753 -1.2753 -1.2750 -1.2750 6.6444 6.6444 6.6761 6.6761 6.8915 6.8915 9.2673 9.2673 9.2729 9.2729 11.7669 11.7669 15.3060 15.3060 15.8706 15.8706 16.0089 16.0089 16.8923 16.8923 17.0411 17.0411 k = 0.4767 0.4767 0.4767 ( 1088 PWs) bands (ev): -1.8144 -1.8144 -1.8141 -1.8141 -1.4259 -1.4259 -1.2747 -1.2747 -1.2745 -1.2745 6.6499 6.6499 6.6698 6.6698 6.8893 6.8893 9.2767 9.2767 9.2802 9.2802 11.7540 11.7540 15.5066 15.5066 15.9584 15.9584 16.0980 16.0980 16.7869 16.7869 16.9247 16.9247 k = 0.4826 0.4826 0.4826 ( 1088 PWs) bands (ev): -1.8143 -1.8143 -1.8141 -1.8141 -1.4260 -1.4260 -1.2742 -1.2742 -1.2741 -1.2741 6.6539 6.6539 6.6648 6.6648 6.8880 6.8880 9.2840 9.2840 9.2860 9.2860 11.7433 11.7433 15.6963 15.6963 16.0553 16.0553 16.1901 16.1901 16.6890 16.6890 16.8114 16.8114 k = 0.4884 0.4884 0.4884 ( 1088 PWs) bands (ev): -1.8143 -1.8143 -1.8142 -1.8142 -1.4262 -1.4262 -1.2738 -1.2738 -1.2738 -1.2738 6.6565 6.6565 6.6613 6.6613 6.8873 6.8873 9.2893 9.2893 9.2901 9.2901 11.7354 11.7354 15.8595 15.8595 16.1699 16.1699 16.2850 16.2850 16.6028 16.6028 16.7013 16.7013 k = 0.4942 0.4942 0.4942 ( 1088 PWs) bands (ev): -1.8142 -1.8142 -1.8142 -1.8142 -1.4262 -1.4262 -1.2736 -1.2736 -1.2736 -1.2736 6.6580 6.6580 6.6592 6.6592 6.8869 6.8869 9.2924 9.2924 9.2926 9.2926 11.7305 11.7305 15.9715 15.9715 16.3132 16.3132 16.3818 16.3818 16.5383 16.5383 16.5953 16.5953 k = 0.5000 0.5000 0.5000 ( 1088 PWs) bands (ev): -1.8142 -1.8142 -1.8142 -1.8142 -1.4263 -1.4263 -1.2735 -1.2735 -1.2735 -1.2735 6.6585 6.6585 6.6585 6.6585 6.8868 6.8868 9.2935 9.2935 9.2935 9.2935 11.7289 11.7289 16.0115 16.0115 16.4597 16.4597 16.4597 16.4597 16.5105 16.5105 16.5144 16.5144 k = 0.5000 0.5000 0.5000 ( 1088 PWs) bands (ev): -1.8142 -1.8142 -1.8142 -1.8142 -1.4263 -1.4263 -1.2735 -1.2735 -1.2735 -1.2735 6.6585 6.6585 6.6585 6.6585 6.8868 6.8868 9.2935 9.2935 9.2935 9.2935 11.7289 11.7289 16.0115 16.0115 16.4597 16.4597 16.4597 16.4597 16.5105 16.5105 16.5144 16.5144 k = 0.4930 0.5000 0.4930 ( 1088 PWs) bands (ev): -1.8142 -1.8142 -1.8142 -1.8142 -1.4262 -1.4262 -1.2736 -1.2736 -1.2736 -1.2736 6.6580 6.6580 6.6592 6.6592 6.8869 6.8869 9.2921 9.2921 9.2930 9.2930 11.7305 11.7305 15.9727 15.9727 16.3075 16.3075 16.3990 16.3990 16.5139 16.5139 16.6154 16.6154 k = 0.4859 0.5000 0.4859 ( 1088 PWs) bands (ev): -1.8143 -1.8143 -1.8142 -1.8142 -1.4262 -1.4262 -1.2739 -1.2739 -1.2737 -1.2737 6.6563 6.6563 6.6615 6.6615 6.8873 6.8873 9.2880 9.2880 9.2915 9.2915 11.7353 11.7353 15.8693 15.8693 16.1312 16.1312 16.3623 16.3623 16.5162 16.5162 16.7584 16.7584 k = 0.4789 0.5000 0.4789 ( 1088 PWs) bands (ev): -1.8143 -1.8143 -1.8142 -1.8142 -1.4260 -1.4260 -1.2744 -1.2744 -1.2738 -1.2738 6.6534 6.6534 6.6652 6.6652 6.8880 6.8880 9.2813 9.2813 9.2891 9.2891 11.7431 11.7431 15.7283 15.7283 15.9555 15.9555 16.3555 16.3555 16.5202 16.5202 16.9064 16.9064 k = 0.4718 0.5000 0.4718 ( 1088 PWs) bands (ev): -1.8144 -1.8144 -1.8141 -1.8141 -1.4259 -1.4259 -1.2750 -1.2750 -1.2741 -1.2741 6.6491 6.6491 6.6704 6.6704 6.8894 6.8894 9.2719 9.2719 9.2857 9.2857 11.7537 11.7537 15.5683 15.5683 15.7833 15.7833 16.3653 16.3653 16.5258 16.5258 17.0479 17.0479 k = 0.4648 0.5000 0.4648 ( 1088 PWs) bands (ev): -1.8145 -1.8145 -1.8140 -1.8140 -1.4256 -1.4256 -1.2759 -1.2759 -1.2744 -1.2744 6.6431 6.6431 6.6770 6.6770 6.8917 6.8917 9.2600 9.2600 9.2813 9.2813 11.7667 11.7667 15.3974 15.3974 15.6170 15.6170 16.3857 16.3857 16.5330 16.5330 17.1772 17.1772 k = 0.4577 0.5000 0.4577 ( 1088 PWs) bands (ev): -1.8147 -1.8147 -1.8140 -1.8140 -1.4254 -1.4254 -1.2769 -1.2769 -1.2748 -1.2748 6.6353 6.6353 6.6851 6.6851 6.8953 6.8953 9.2455 9.2455 9.2759 9.2759 11.7817 11.7817 15.2192 15.2192 15.4581 15.4581 16.4139 16.4139 16.5418 16.5418 17.2923 17.2923 k = 0.4507 0.5000 0.4507 ( 1088 PWs) bands (ev): -1.8148 -1.8148 -1.8139 -1.8139 -1.4251 -1.4251 -1.2781 -1.2781 -1.2752 -1.2752 6.6254 6.6254 6.6945 6.6945 6.9004 6.9004 9.2286 9.2286 9.2695 9.2695 11.7981 11.7981 15.0362 15.0362 15.3074 15.3074 16.4488 16.4488 16.5523 16.5523 17.3934 17.3934 k = 0.4437 0.5000 0.4437 ( 1094 PWs) bands (ev): -1.8151 -1.8151 -1.8138 -1.8138 -1.4248 -1.4248 -1.2795 -1.2795 -1.2758 -1.2758 6.6133 6.6133 6.7051 6.7051 6.9072 6.9072 9.2093 9.2093 9.2620 9.2620 11.8152 11.8152 14.8504 14.8504 15.1652 15.1652 16.4895 16.4895 16.5648 16.5648 17.4819 17.4819 k = 0.4366 0.5000 0.4366 ( 1096 PWs) bands (ev): -1.8153 -1.8153 -1.8137 -1.8137 -1.4244 -1.4244 -1.2811 -1.2811 -1.2763 -1.2763 6.5990 6.5990 6.7171 6.7171 6.9160 6.9160 9.1878 9.1878 9.2535 9.2535 11.8322 11.8322 14.6632 14.6632 15.0317 15.0317 16.5351 16.5351 16.5797 16.5797 17.5594 17.5594 k = 0.4296 0.5000 0.4296 ( 1100 PWs) bands (ev): -1.8155 -1.8155 -1.8136 -1.8136 -1.4239 -1.4239 -1.2829 -1.2829 -1.2770 -1.2770 6.5826 6.5826 6.7303 6.7303 6.9268 6.9268 9.1641 9.1641 9.2439 9.2439 11.8482 11.8482 14.4761 14.4761 14.9074 14.9074 16.5795 16.5795 16.6030 16.6030 17.6277 17.6277 k = 0.4225 0.5000 0.4225 ( 1112 PWs) bands (ev): -1.8159 -1.8159 -1.8135 -1.8135 -1.4235 -1.4235 -1.2849 -1.2849 -1.2778 -1.2778 6.5640 6.5640 6.7445 6.7445 6.9396 6.9396 9.1382 9.1382 9.2332 9.2332 11.8619 11.8619 14.2897 14.2897 14.7929 14.7929 16.6053 16.6053 16.6518 16.6518 17.6884 17.6884 k = 0.4155 0.5000 0.4155 ( 1112 PWs) bands (ev): -1.8161 -1.8161 -1.8134 -1.8134 -1.4229 -1.4229 -1.2869 -1.2869 -1.2785 -1.2785 6.5437 6.5437 6.7600 6.7600 6.9545 6.9545 9.1108 9.1108 9.2214 9.2214 11.8722 11.8722 14.1048 14.1048 14.6893 14.6893 16.6254 16.6254 16.7130 16.7130 17.7433 17.7433 k = 0.4085 0.5000 0.4085 ( 1112 PWs) bands (ev): -1.8163 -1.8163 -1.8132 -1.8132 -1.4222 -1.4222 -1.2890 -1.2890 -1.2794 -1.2794 6.5217 6.5217 6.7764 6.7764 6.9712 6.9712 9.0816 9.0816 9.2084 9.2084 11.8777 11.8777 13.9220 13.9220 14.5975 14.5975 16.6462 16.6462 16.7801 16.7801 17.7936 17.7936 k = 0.4014 0.5000 0.4014 ( 1118 PWs) bands (ev): -1.8166 -1.8166 -1.8131 -1.8131 -1.4216 -1.4216 -1.2913 -1.2913 -1.2803 -1.2803 6.4981 6.4981 6.7938 6.7938 6.9897 6.9897 9.0506 9.0506 9.1942 9.1942 11.8772 11.8772 13.7418 13.7418 14.5186 14.5186 16.6684 16.6684 16.8521 16.8521 17.8405 17.8405 k = 0.3944 0.5000 0.3944 ( 1118 PWs) bands (ev): -1.8169 -1.8169 -1.8129 -1.8129 -1.4208 -1.4208 -1.2936 -1.2936 -1.2812 -1.2812 6.4733 6.4733 6.8121 6.8121 7.0100 7.0100 9.0183 9.0183 9.1787 9.1787 11.8694 11.8694 13.5644 13.5644 14.4538 14.4538 16.6923 16.6923 16.9289 16.9289 17.8851 17.8851 k = 0.3873 0.5000 0.3873 ( 1114 PWs) bands (ev): -1.8170 -1.8170 -1.8127 -1.8127 -1.4199 -1.4199 -1.2960 -1.2960 -1.2821 -1.2821 6.4476 6.4476 6.8312 6.8312 7.0319 7.0319 8.9846 8.9846 9.1620 9.1620 11.8531 11.8531 13.3903 13.3903 14.4040 14.4040 16.7180 16.7180 17.0101 17.0101 17.9281 17.9281 k = 0.3803 0.5000 0.3803 ( 1118 PWs) bands (ev): -1.8173 -1.8173 -1.8125 -1.8125 -1.4190 -1.4190 -1.2985 -1.2985 -1.2832 -1.2832 6.4209 6.4209 6.8511 6.8511 7.0552 7.0552 8.9496 8.9496 9.1438 9.1438 11.8274 11.8274 13.2197 13.2197 14.3698 14.3698 16.7454 16.7454 17.0955 17.0955 17.9701 17.9701 k = 0.3732 0.5000 0.3732 ( 1118 PWs) bands (ev): -1.8176 -1.8176 -1.8123 -1.8123 -1.4181 -1.4181 -1.3011 -1.3011 -1.2843 -1.2843 6.3935 6.3935 6.8718 6.8718 7.0799 7.0799 8.9135 8.9135 9.1244 9.1244 11.7920 11.7920 13.0529 13.0529 14.3515 14.3515 16.7747 16.7747 17.1851 17.1851 18.0118 18.0118 k = 0.3662 0.5000 0.3662 ( 1114 PWs) bands (ev): -1.8177 -1.8177 -1.8121 -1.8121 -1.4170 -1.4170 -1.3038 -1.3038 -1.2854 -1.2854 6.3657 6.3657 6.8931 6.8931 7.1058 7.1058 8.8764 8.8764 9.1035 9.1035 11.7467 11.7467 12.8902 12.8902 14.3492 14.3492 16.8058 16.8058 17.2786 17.2786 18.0536 18.0536 k = 0.3592 0.5000 0.3592 ( 1114 PWs) bands (ev): -1.8180 -1.8180 -1.8119 -1.8119 -1.4159 -1.4159 -1.3065 -1.3065 -1.2865 -1.2865 6.3375 6.3375 6.9149 6.9149 7.1327 7.1327 8.8384 8.8384 9.0812 9.0812 11.6918 11.6918 12.7317 12.7317 14.3623 14.3623 16.8389 16.8389 17.3758 17.3758 18.0959 18.0959 k = 0.3521 0.5000 0.3521 ( 1114 PWs) bands (ev): -1.8182 -1.8182 -1.8117 -1.8117 -1.4147 -1.4147 -1.3093 -1.3093 -1.2877 -1.2877 6.3091 6.3091 6.9373 6.9373 7.1606 7.1606 8.7996 8.7996 9.0573 9.0573 11.6280 11.6280 12.5778 12.5778 14.3900 14.3900 16.8739 16.8739 17.4767 17.4767 18.1390 18.1390 k = 0.3451 0.5000 0.3451 ( 1114 PWs) bands (ev): -1.8184 -1.8184 -1.8115 -1.8115 -1.4135 -1.4135 -1.3121 -1.3121 -1.2890 -1.2890 6.2807 6.2807 6.9601 6.9601 7.1892 7.1892 8.7600 8.7600 9.0320 9.0320 11.5563 11.5563 12.4287 12.4287 14.4313 14.4313 16.9109 16.9109 17.5810 17.5810 18.1832 18.1832 k = 0.3380 0.5000 0.3380 ( 1126 PWs) bands (ev): -1.8186 -1.8186 -1.8115 -1.8115 -1.4124 -1.4124 -1.3150 -1.3150 -1.2904 -1.2904 6.2523 6.2523 6.9830 6.9830 7.2182 7.2182 8.7197 8.7197 9.0052 9.0052 11.4775 11.4775 12.2846 12.2846 14.4851 14.4851 16.9499 16.9499 17.6886 17.6886 18.2287 18.2287 k = 0.3310 0.5000 0.3310 ( 1130 PWs) bands (ev): -1.8189 -1.8189 -1.8113 -1.8113 -1.4111 -1.4111 -1.3179 -1.3179 -1.2917 -1.2917 6.2242 6.2242 7.0065 7.0065 7.2477 7.2477 8.6790 8.6790 8.9769 8.9769 11.3927 11.3927 12.1456 12.1456 14.5502 14.5502 16.9909 16.9909 17.7994 17.7994 18.2758 18.2758 k = 0.3239 0.5000 0.3239 ( 1130 PWs) bands (ev): -1.8190 -1.8190 -1.8111 -1.8111 -1.4097 -1.4097 -1.3207 -1.3207 -1.2930 -1.2930 6.1964 6.1964 7.0301 7.0301 7.2775 7.2775 8.6377 8.6377 8.9472 8.9472 11.3030 11.3030 12.0120 12.0120 14.6255 14.6255 17.0341 17.0341 17.9133 17.9133 18.3247 18.3247 k = 0.3169 0.5000 0.3169 ( 1130 PWs) bands (ev): -1.8191 -1.8191 -1.8109 -1.8109 -1.4083 -1.4083 -1.3235 -1.3235 -1.2944 -1.2944 6.1691 6.1691 7.0538 7.0538 7.3073 7.3073 8.5960 8.5960 8.9164 8.9164 11.2093 11.2093 11.8841 11.8841 14.7099 14.7099 17.0794 17.0794 18.0301 18.0301 18.3755 18.3755 k = 0.3099 0.5000 0.3099 ( 1130 PWs) bands (ev): -1.8192 -1.8192 -1.8107 -1.8107 -1.4067 -1.4067 -1.3263 -1.3263 -1.2957 -1.2957 6.1423 6.1423 7.0776 7.0776 7.3369 7.3369 8.5539 8.5539 8.8844 8.8844 11.1124 11.1124 11.7619 11.7619 14.8025 14.8025 17.1269 17.1269 18.1497 18.1497 18.4284 18.4284 k = 0.3028 0.5000 0.3028 ( 1130 PWs) bands (ev): -1.8193 -1.8193 -1.8104 -1.8104 -1.4052 -1.4052 -1.3290 -1.3290 -1.2971 -1.2971 6.1161 6.1161 7.1012 7.1012 7.3660 7.3660 8.5114 8.5114 8.8515 8.8515 11.0129 11.0129 11.6456 11.6456 14.9025 14.9025 17.1767 17.1767 18.2720 18.2720 18.4836 18.4836 k = 0.2958 0.5000 0.2958 ( 1130 PWs) bands (ev): -1.8194 -1.8194 -1.8102 -1.8102 -1.4036 -1.4036 -1.3317 -1.3317 -1.2985 -1.2985 6.0906 6.0906 7.1245 7.1245 7.3944 7.3944 8.4685 8.4685 8.8180 8.8180 10.9116 10.9116 11.5353 11.5353 15.0091 15.0091 17.2287 17.2287 18.3967 18.3967 18.5413 18.5413 k = 0.2887 0.5000 0.2887 ( 1130 PWs) bands (ev): -1.8194 -1.8194 -1.8100 -1.8100 -1.4019 -1.4019 -1.3343 -1.3343 -1.2999 -1.2999 6.0659 6.0659 7.1473 7.1473 7.4218 7.4218 8.4254 8.4254 8.7843 8.7843 10.8090 10.8090 11.4310 11.4310 15.1217 15.1217 17.2830 17.2830 18.5238 18.5238 18.6016 18.6016 k = 0.2817 0.5000 0.2817 ( 1132 PWs) bands (ev): -1.8195 -1.8195 -1.8098 -1.8098 -1.4003 -1.4003 -1.3369 -1.3369 -1.3013 -1.3013 6.0420 6.0420 7.1695 7.1695 7.4480 7.4480 8.3817 8.3817 8.7507 8.7507 10.7056 10.7056 11.3328 11.3328 15.2398 15.2398 17.3397 17.3397 18.6515 18.6515 18.6662 18.6662 k = 0.2746 0.5000 0.2746 ( 1132 PWs) bands (ev): -1.8195 -1.8195 -1.8096 -1.8096 -1.3986 -1.3986 -1.3393 -1.3393 -1.3027 -1.3027 6.0191 6.0191 7.1908 7.1908 7.4726 7.4726 8.3379 8.3379 8.7177 8.7177 10.6017 10.6017 11.2407 11.2407 15.3628 15.3628 17.3987 17.3987 18.7291 18.7291 18.7858 18.7858 k = 0.2676 0.5000 0.2676 ( 1132 PWs) bands (ev): -1.8195 -1.8195 -1.8094 -1.8094 -1.3969 -1.3969 -1.3416 -1.3416 -1.3042 -1.3042 5.9971 5.9971 7.2109 7.2109 7.4954 7.4954 8.2939 8.2939 8.6859 8.6859 10.4977 10.4977 11.1545 11.1545 15.4904 15.4904 17.4603 17.4603 18.7978 18.7978 18.9193 18.9193 k = 0.2606 0.5000 0.2606 ( 1132 PWs) bands (ev): -1.8196 -1.8196 -1.8092 -1.8092 -1.3952 -1.3952 -1.3437 -1.3437 -1.3056 -1.3056 5.9761 5.9761 7.2294 7.2294 7.5162 7.5162 8.2498 8.2498 8.6559 8.6559 10.3940 10.3940 11.0742 11.0742 15.6222 15.6222 17.5243 17.5243 18.8694 18.8694 19.0549 19.0549 k = 0.2535 0.5000 0.2535 ( 1132 PWs) bands (ev): -1.8196 -1.8196 -1.8089 -1.8089 -1.3935 -1.3935 -1.3457 -1.3457 -1.3070 -1.3070 5.9562 5.9562 7.2458 7.2458 7.5348 7.5348 8.2057 8.2057 8.6281 8.6281 10.2909 10.2909 10.9995 10.9995 15.7579 15.7579 17.5909 17.5909 18.9440 18.9440 19.1923 19.1923 k = 0.2465 0.5000 0.2465 ( 1132 PWs) bands (ev): -1.8196 -1.8196 -1.8087 -1.8087 -1.3918 -1.3918 -1.3476 -1.3476 -1.3083 -1.3083 5.9374 5.9374 7.2594 7.2594 7.5510 7.5510 8.1620 8.1620 8.6032 8.6032 10.1885 10.1885 10.9303 10.9303 15.8973 15.8973 17.6600 17.6600 19.0219 19.0219 19.3315 19.3315 k = 0.2394 0.5000 0.2394 ( 1132 PWs) bands (ev): -1.8197 -1.8197 -1.8084 -1.8084 -1.3902 -1.3902 -1.3492 -1.3492 -1.3097 -1.3097 5.9197 5.9197 7.2696 7.2696 7.5651 7.5651 8.1191 8.1191 8.5815 8.5815 10.0871 10.0871 10.8664 10.8664 16.0401 16.0401 17.7317 17.7317 19.1031 19.1031 19.4722 19.4722 k = 0.2324 0.5000 0.2324 ( 1136 PWs) bands (ev): -1.8197 -1.8197 -1.8081 -1.8081 -1.3888 -1.3888 -1.3507 -1.3507 -1.3111 -1.3111 5.9031 5.9031 7.2755 7.2755 7.5771 7.5771 8.0774 8.0774 8.5634 8.5634 9.9869 9.9869 10.8075 10.8075 16.1860 16.1860 17.8061 17.8061 19.1876 19.1876 19.6144 19.6144 k = 0.2254 0.5000 0.2254 ( 1136 PWs) bands (ev): -1.8198 -1.8198 -1.8078 -1.8078 -1.3874 -1.3874 -1.3518 -1.3518 -1.3124 -1.3124 5.8877 5.8877 7.2761 7.2761 7.5877 7.5877 8.0374 8.0374 8.5491 8.5491 9.8881 9.8881 10.7534 10.7534 16.3350 16.3350 17.8832 17.8832 19.2756 19.2756 19.7579 19.7579 k = 0.2183 0.5000 0.2183 ( 1138 PWs) bands (ev): -1.8200 -1.8200 -1.8075 -1.8075 -1.3862 -1.3862 -1.3527 -1.3527 -1.3137 -1.3137 5.8734 5.8734 7.2706 7.2706 7.5971 7.5971 7.9996 7.9996 8.5386 8.5386 9.7909 9.7909 10.7037 10.7037 16.4867 16.4867 17.9630 17.9630 19.3672 19.3672 19.9027 19.9027 k = 0.2113 0.5000 0.2113 ( 1138 PWs) bands (ev): -1.8201 -1.8201 -1.8071 -1.8071 -1.3851 -1.3851 -1.3533 -1.3533 -1.3150 -1.3150 5.8604 5.8604 7.2583 7.2583 7.6060 7.6060 7.9644 7.9644 8.5320 8.5320 9.6953 9.6953 10.6583 10.6583 16.6411 16.6411 18.0456 18.0456 19.4625 19.4625 20.0485 20.0485 k = 0.2042 0.5000 0.2042 ( 1138 PWs) bands (ev): -1.8202 -1.8202 -1.8067 -1.8067 -1.3843 -1.3843 -1.3535 -1.3535 -1.3163 -1.3163 5.8486 5.8486 7.2391 7.2391 7.6145 7.6145 7.9322 7.9322 8.5289 8.5289 9.6017 9.6017 10.6169 10.6169 16.7980 16.7980 18.1310 18.1310 19.5614 19.5614 20.1953 20.1953 k = 0.1972 0.5000 0.1972 ( 1138 PWs) bands (ev): -1.8204 -1.8204 -1.8063 -1.8063 -1.3837 -1.3837 -1.3534 -1.3534 -1.3175 -1.3175 5.8379 5.8379 7.2131 7.2131 7.6227 7.6227 7.9034 7.9034 8.5290 8.5290 9.5100 9.5100 10.5791 10.5791 16.9573 16.9573 18.2193 18.2193 19.6641 19.6641 20.3429 20.3429 k = 0.1901 0.5000 0.1901 ( 1134 PWs) bands (ev): -1.8205 -1.8205 -1.8058 -1.8058 -1.3832 -1.3832 -1.3528 -1.3528 -1.3186 -1.3186 5.8285 5.8285 7.1809 7.1809 7.6300 7.6300 7.8783 7.8783 8.5320 8.5320 9.4206 9.4206 10.5447 10.5447 17.1189 17.1189 18.3104 18.3104 19.7707 19.7707 20.4912 20.4912 k = 0.1831 0.5000 0.1831 ( 1142 PWs) bands (ev): -1.8209 -1.8209 -1.8055 -1.8055 -1.3831 -1.3831 -1.3521 -1.3521 -1.3199 -1.3199 5.8202 5.8202 7.1434 7.1434 7.6357 7.6357 7.8573 7.8573 8.5370 8.5370 9.3335 9.3335 10.5135 10.5135 17.2826 17.2826 18.4044 18.4044 19.8810 19.8810 20.6399 20.6399 k = 0.1761 0.5000 0.1761 ( 1146 PWs) bands (ev): -1.8212 -1.8212 -1.8050 -1.8050 -1.3830 -1.3830 -1.3512 -1.3512 -1.3210 -1.3210 5.8130 5.8130 7.1017 7.1017 7.6389 7.6389 7.8411 7.8411 8.5438 8.5438 9.2490 9.2490 10.4853 10.4853 17.4483 17.4483 18.5013 18.5013 19.9953 19.9953 20.7890 20.7890 k = 0.1690 0.5000 0.1690 ( 1146 PWs) bands (ev): -1.8215 -1.8215 -1.8045 -1.8045 -1.3831 -1.3831 -1.3499 -1.3499 -1.3220 -1.3220 5.8071 5.8071 7.0567 7.0567 7.6386 7.6386 7.8302 7.8302 8.5516 8.5516 9.1675 9.1675 10.4599 10.4599 17.6159 17.6159 18.6012 18.6012 20.1135 20.1135 20.9383 20.9383 k = 0.1620 0.5000 0.1620 ( 1146 PWs) bands (ev): -1.8218 -1.8218 -1.8040 -1.8040 -1.3832 -1.3832 -1.3485 -1.3485 -1.3230 -1.3230 5.8022 5.8022 7.0094 7.0094 7.6343 7.6343 7.8249 7.8249 8.5599 8.5599 9.0892 9.0892 10.4369 10.4369 17.7853 17.7853 18.7040 18.7040 20.2357 20.2357 21.0876 21.0876 k = 0.1549 0.5000 0.1549 ( 1146 PWs) bands (ev): -1.8221 -1.8221 -1.8035 -1.8035 -1.3834 -1.3834 -1.3469 -1.3469 -1.3240 -1.3240 5.7985 5.7985 6.9606 6.9606 7.6260 7.6260 7.8246 7.8246 8.5676 8.5676 9.0149 9.0149 10.4163 10.4163 17.9564 17.9564 18.8099 18.8099 20.3619 20.3619 21.2367 21.2367 k = 0.1479 0.5000 0.1479 ( 1144 PWs) bands (ev): -1.8224 -1.8224 -1.8030 -1.8030 -1.3836 -1.3836 -1.3453 -1.3453 -1.3249 -1.3249 5.7958 5.7958 6.9111 6.9111 7.6145 7.6145 7.8284 7.8284 8.5739 8.5739 8.9454 8.9454 10.3979 10.3979 18.1290 18.1290 18.9187 18.9187 20.4919 20.4919 21.3853 21.3853 k = 0.1408 0.5000 0.1408 ( 1136 PWs) bands (ev): -1.8227 -1.8227 -1.8023 -1.8023 -1.3838 -1.3838 -1.3435 -1.3435 -1.3256 -1.3256 5.7941 5.7941 6.8614 6.8614 7.6009 7.6009 7.8350 7.8350 8.5768 8.5768 8.8823 8.8823 10.3815 10.3815 18.3030 18.3030 19.0307 19.0307 20.6260 20.6260 21.5332 21.5332 k = 0.1338 0.5000 0.1338 ( 1136 PWs) bands (ev): -1.8231 -1.8231 -1.8018 -1.8018 -1.3840 -1.3840 -1.3417 -1.3417 -1.3264 -1.3264 5.7933 5.7933 6.8120 6.8120 7.5858 7.5858 7.8433 7.8433 8.5737 8.5737 8.8281 8.8281 10.3669 10.3669 18.4783 18.4783 19.1456 19.1456 20.7639 20.7639 21.6802 21.6802 k = 0.1268 0.5000 0.1268 ( 1140 PWs) bands (ev): -1.8235 -1.8235 -1.8014 -1.8014 -1.3843 -1.3843 -1.3400 -1.3400 -1.3272 -1.3272 5.7934 5.7934 6.7634 6.7634 7.5700 7.5700 7.8526 7.8526 8.5608 8.5608 8.7865 8.7865 10.3539 10.3539 18.6547 18.6547 19.2636 19.2636 20.9056 20.9056 21.8260 21.8260 k = 0.1197 0.5000 0.1197 ( 1140 PWs) bands (ev): -1.8238 -1.8238 -1.8008 -1.8008 -1.3845 -1.3845 -1.3383 -1.3383 -1.3279 -1.3279 5.7943 5.7943 6.7160 6.7160 7.5540 7.5540 7.8623 7.8623 8.5356 8.5356 8.7602 8.7602 10.3424 10.3424 18.8320 18.8320 19.3847 19.3847 21.0510 21.0510 21.9702 21.9702 k = 0.1127 0.5000 0.1127 ( 1140 PWs) bands (ev): -1.8242 -1.8242 -1.8004 -1.8004 -1.3847 -1.3847 -1.3366 -1.3366 -1.3286 -1.3286 5.7959 5.7959 6.6700 6.6700 7.5380 7.5380 7.8719 7.8719 8.4997 8.4997 8.7475 8.7475 10.3323 10.3323 19.0099 19.0100 19.5089 19.5089 21.2001 21.2001 22.1125 22.1125 k = 0.1056 0.5000 0.1056 ( 1140 PWs) bands (ev): -1.8246 -1.8246 -1.7999 -1.7999 -1.3849 -1.3849 -1.3349 -1.3349 -1.3291 -1.3291 5.7983 5.7983 6.6259 6.6259 7.5225 7.5225 7.8809 7.8809 8.4575 8.4575 8.7442 8.7442 10.3235 10.3235 19.1884 19.1884 19.6362 19.6362 21.3527 21.3527 22.2524 22.2524 k = 0.0986 0.5000 0.0986 ( 1136 PWs) bands (ev): -1.8249 -1.8249 -1.7994 -1.7994 -1.3849 -1.3849 -1.3334 -1.3334 -1.3295 -1.3295 5.8012 5.8012 6.5837 6.5837 7.5075 7.5075 7.8892 7.8892 8.4132 8.4132 8.7461 8.7461 10.3158 10.3158 19.3669 19.3669 19.7666 19.7666 21.5086 21.5086 22.3895 22.3895 k = 0.0915 0.5000 0.0915 ( 1148 PWs) bands (ev): -1.8254 -1.8254 -1.7991 -1.7991 -1.3852 -1.3852 -1.3323 -1.3323 -1.3298 -1.3298 5.8045 5.8045 6.5437 6.5437 7.4930 7.4930 7.8963 7.8963 8.3692 8.3692 8.7506 8.7506 10.3091 10.3091 19.5451 19.5451 19.9002 19.9002 21.6675 21.6675 22.5233 22.5233 k = 0.0845 0.5000 0.0845 ( 1148 PWs) bands (ev): -1.8258 -1.8258 -1.7986 -1.7986 -1.3853 -1.3853 -1.3317 -1.3317 -1.3293 -1.3293 5.8083 5.8083 6.5061 6.5061 7.4793 7.4793 7.9022 7.9022 8.3275 8.3275 8.7565 8.7565 10.3034 10.3034 19.7224 19.7224 20.0370 20.0370 21.8291 21.8291 22.6532 22.6532 k = 0.0775 0.5000 0.0775 ( 1144 PWs) bands (ev): -1.8261 -1.8261 -1.7982 -1.7982 -1.3853 -1.3853 -1.3317 -1.3317 -1.3282 -1.3282 5.8124 5.8124 6.4711 6.4711 7.4666 7.4666 7.9065 7.9065 8.2890 8.2890 8.7632 8.7632 10.2984 10.2984 19.8982 19.8982 20.1771 20.1771 21.9928 21.9928 22.7786 22.7786 k = 0.0704 0.5000 0.0704 ( 1144 PWs) bands (ev): -1.8264 -1.8264 -1.7979 -1.7979 -1.3854 -1.3854 -1.3320 -1.3320 -1.3270 -1.3270 5.8166 5.8166 6.4386 6.4386 7.4547 7.4547 7.9090 7.9090 8.2543 8.2543 8.7697 8.7697 10.2943 10.2943 20.0717 20.0717 20.3205 20.3205 22.1580 22.1580 22.8989 22.8989 k = 0.0634 0.5000 0.0634 ( 1144 PWs) bands (ev): -1.8267 -1.8267 -1.7976 -1.7976 -1.3854 -1.3854 -1.3323 -1.3323 -1.3258 -1.3258 5.8209 5.8209 6.4090 6.4090 7.4437 7.4437 7.9097 7.9097 8.2240 8.2240 8.7761 8.7761 10.2907 10.2907 20.2417 20.2417 20.4670 20.4670 22.3237 22.3237 23.0133 23.0133 k = 0.0563 0.5000 0.0563 ( 1144 PWs) bands (ev): -1.8269 -1.8269 -1.7973 -1.7973 -1.3854 -1.3854 -1.3325 -1.3325 -1.3247 -1.3247 5.8251 5.8251 6.3822 6.3822 7.4338 7.4338 7.9083 7.9083 8.1982 8.1982 8.7820 8.7820 10.2878 10.2878 20.4071 20.4071 20.6165 20.6165 22.4883 22.4883 23.1211 23.1211 k = 0.0493 0.5000 0.0493 ( 1140 PWs) bands (ev): -1.8271 -1.8271 -1.7970 -1.7970 -1.3854 -1.3854 -1.3327 -1.3327 -1.3237 -1.3237 5.8291 5.8291 6.3584 6.3584 7.4250 7.4250 7.9053 7.9053 8.1770 8.1770 8.7874 8.7874 10.2853 10.2853 20.5667 20.5667 20.7678 20.7678 22.6494 22.6494 23.2216 23.2216 k = 0.0423 0.5000 0.0423 ( 1140 PWs) bands (ev): -1.8273 -1.8273 -1.7967 -1.7967 -1.3854 -1.3854 -1.3329 -1.3329 -1.3228 -1.3228 5.8329 5.8329 6.3376 6.3376 7.4172 7.4172 7.9007 7.9007 8.1602 8.1602 8.7922 8.7922 10.2833 10.2833 20.7191 20.7191 20.9192 20.9192 22.8030 22.8030 23.3113 23.3113 k = 0.0352 0.5000 0.0352 ( 1144 PWs) bands (ev): -1.8275 -1.8275 -1.7966 -1.7966 -1.3854 -1.3854 -1.3331 -1.3331 -1.3221 -1.3221 5.8363 5.8363 6.3198 6.3198 7.4105 7.4105 7.8953 7.8953 8.1474 8.1474 8.7962 8.7962 10.2817 10.2817 20.8627 20.8627 21.0678 21.0678 22.9415 22.9415 23.1766 23.1766 k = 0.0282 0.5000 0.0282 ( 1144 PWs) bands (ev): -1.8277 -1.8277 -1.7964 -1.7964 -1.3854 -1.3854 -1.3333 -1.3333 -1.3216 -1.3216 5.8392 5.8392 6.3053 6.3053 7.4051 7.4051 7.8897 7.8897 8.1380 8.1380 8.7995 8.7995 10.2805 10.2805 20.9947 20.9947 21.2092 21.2092 23.0128 23.0128 23.0586 23.0586 k = 0.0211 0.5000 0.0211 ( 1140 PWs) bands (ev): -1.8277 -1.8277 -1.7963 -1.7963 -1.3853 -1.3853 -1.3334 -1.3334 -1.3211 -1.3211 5.8416 5.8416 6.2939 6.2939 7.4009 7.4009 7.8845 7.8845 8.1314 8.1314 8.8022 8.8022 10.2795 10.2795 21.1107 21.1107 21.3373 21.3373 22.8772 22.8772 23.1149 23.1149 k = 0.0141 0.5000 0.0141 ( 1140 PWs) bands (ev): -1.8278 -1.8278 -1.7962 -1.7962 -1.3853 -1.3853 -1.3335 -1.3335 -1.3207 -1.3207 5.8434 5.8434 6.2858 6.2858 7.3978 7.3978 7.8804 7.8804 8.1271 8.1271 8.8041 8.8041 10.2789 10.2789 21.2039 21.2039 21.4434 21.4434 22.7632 22.7632 23.1153 23.1153 k = 0.0070 0.5000 0.0070 ( 1140 PWs) bands (ev): -1.8279 -1.8279 -1.7961 -1.7961 -1.3853 -1.3853 -1.3335 -1.3335 -1.3205 -1.3205 5.8444 5.8444 6.2809 6.2809 7.3959 7.3959 7.8777 7.8777 8.1246 8.1246 8.8053 8.8053 10.2785 10.2785 21.2655 21.2655 21.5156 21.5156 22.6860 22.6860 23.0901 23.0901 k = 0.0000 0.5000-0.0000 ( 1140 PWs) bands (ev): -1.8279 -1.8279 -1.7961 -1.7961 -1.3853 -1.3853 -1.3335 -1.3335 -1.3204 -1.3204 5.8448 5.8448 6.2792 6.2792 7.3953 7.3953 7.8768 7.8768 8.1238 8.1238 8.8057 8.8057 10.2784 10.2784 21.2872 21.2872 21.5416 21.5416 22.6583 22.6583 23.0775 23.0775 k = 0.5000 0.5000-0.0000 ( 1132 PWs) bands (ev): -1.8322 -1.8322 -1.8265 -1.8265 -1.4024 -1.4024 -1.3816 -1.3816 -1.2754 -1.2754 5.6008 5.6008 7.5976 7.5976 8.3153 8.3153 8.4036 8.4036 9.2738 9.2738 10.4640 10.4640 10.5457 10.5457 12.6576 12.6576 14.6018 14.6018 21.5177 21.5177 25.5955 25.5955 k = 0.5000 0.5000 0.0100 ( 1132 PWs) bands (ev): -1.8321 -1.8321 -1.8265 -1.8265 -1.4024 -1.4024 -1.3815 -1.3815 -1.2755 -1.2755 5.6017 5.6017 7.5984 7.5984 8.3125 8.3125 8.4002 8.4002 9.2736 9.2736 10.4689 10.4689 10.5511 10.5511 12.6571 12.6571 14.6024 14.6024 21.5069 21.5069 25.5786 25.5786 k = 0.5000 0.5000 0.0200 ( 1132 PWs) bands (ev): -1.8320 -1.8320 -1.8264 -1.8264 -1.4025 -1.4025 -1.3813 -1.3813 -1.2755 -1.2755 5.6042 5.6042 7.6008 7.6008 8.3044 8.3044 8.3901 8.3901 9.2730 9.2730 10.4838 10.4838 10.5669 10.5669 12.6556 12.6556 14.6043 14.6043 21.4749 21.4749 25.5288 25.5288 k = 0.5000 0.5000 0.0300 ( 1132 PWs) bands (ev): -1.8318 -1.8318 -1.8263 -1.8263 -1.4026 -1.4026 -1.3809 -1.3809 -1.2755 -1.2755 5.6083 5.6083 7.6046 7.6046 8.2913 8.2913 8.3736 8.3736 9.2720 9.2720 10.5083 10.5083 10.5930 10.5930 12.6532 12.6532 14.6074 14.6074 21.4226 21.4226 25.4486 25.4486 k = 0.5000 0.5000 0.0400 ( 1132 PWs) bands (ev): -1.8315 -1.8315 -1.8262 -1.8262 -1.4028 -1.4028 -1.3803 -1.3803 -1.2755 -1.2755 5.6142 5.6142 7.6097 7.6097 8.2738 8.2738 8.3511 8.3511 9.2709 9.2709 10.5420 10.5420 10.6288 10.6288 12.6497 12.6497 14.6117 14.6117 21.3513 21.3513 25.3417 25.3417 k = 0.5000 0.5000 0.0500 ( 1132 PWs) bands (ev): -1.8312 -1.8312 -1.8261 -1.8261 -1.4030 -1.4030 -1.3795 -1.3795 -1.2755 -1.2755 5.6216 5.6216 7.6158 7.6158 8.2526 8.2526 8.3231 8.3231 9.2695 9.2695 10.5844 10.5844 10.6737 10.6737 12.6453 12.6453 14.6174 14.6174 21.2628 21.2628 25.2122 25.2122 k = 0.5000 0.5000 0.0600 ( 1124 PWs) bands (ev): -1.8308 -1.8308 -1.8257 -1.8257 -1.4030 -1.4030 -1.3787 -1.3787 -1.2754 -1.2754 5.6309 5.6309 7.6224 7.6224 8.2288 8.2288 8.2904 8.2904 9.2683 9.2683 10.6348 10.6348 10.7269 10.7269 12.6399 12.6399 14.6243 14.6243 21.1591 21.1591 25.0639 25.0639 k = 0.5000 0.5000 0.0700 ( 1124 PWs) bands (ev): -1.8303 -1.8303 -1.8255 -1.8255 -1.4033 -1.4033 -1.3776 -1.3776 -1.2754 -1.2754 5.6416 5.6416 7.6293 7.6293 8.2033 8.2033 8.2533 8.2533 9.2670 9.2670 10.6928 10.6928 10.7877 10.7877 12.6334 12.6334 14.6325 14.6325 21.0423 21.0423 24.9005 24.9005 k = 0.5000 0.5000 0.0800 ( 1124 PWs) bands (ev): -1.8297 -1.8297 -1.8253 -1.8253 -1.4037 -1.4037 -1.3764 -1.3764 -1.2755 -1.2755 5.6540 5.6540 7.6356 7.6356 8.1775 8.1775 8.2127 8.2127 9.2658 9.2658 10.7576 10.7576 10.8554 10.8554 12.6259 12.6259 14.6420 14.6420 20.9142 20.9142 24.7250 24.7250 k = 0.5000 0.5000 0.0900 ( 1132 PWs) bands (ev): -1.8292 -1.8292 -1.8252 -1.8252 -1.4042 -1.4042 -1.3751 -1.3751 -1.2756 -1.2756 5.6679 5.6679 7.6402 7.6402 8.1528 8.1528 8.1691 8.1691 9.2648 9.2648 10.8286 10.8286 10.9294 10.9294 12.6174 12.6174 14.6528 14.6528 20.7769 20.7769 24.5399 24.5399 k = 0.5000 0.5000 0.1000 ( 1132 PWs) bands (ev): -1.8285 -1.8285 -1.8249 -1.8249 -1.4046 -1.4046 -1.3735 -1.3735 -1.2756 -1.2756 5.6834 5.6834 7.6422 7.6422 8.1231 8.1231 8.1310 8.1310 9.2639 9.2639 10.9054 10.9054 11.0091 11.0091 12.6078 12.6078 14.6650 14.6650 20.6321 20.6321 24.3473 24.3473 k = 0.5000 0.5000 0.1100 ( 1132 PWs) bands (ev): -1.8278 -1.8278 -1.8246 -1.8246 -1.4050 -1.4050 -1.3718 -1.3718 -1.2756 -1.2756 5.7005 5.7005 7.6401 7.6401 8.0753 8.0753 8.1138 8.1138 9.2632 9.2632 10.9875 10.9875 11.0939 11.0939 12.5972 12.5972 14.6787 14.6787 20.4812 20.4812 24.1489 24.1489 k = 0.5000 0.5000 0.1200 ( 1128 PWs) bands (ev): -1.8270 -1.8270 -1.8243 -1.8243 -1.4055 -1.4055 -1.3698 -1.3698 -1.2757 -1.2757 5.7191 5.7191 7.6329 7.6329 8.0261 8.0261 8.1028 8.1028 9.2627 9.2627 11.0743 11.0743 11.1834 11.1834 12.5855 12.5855 14.6937 14.6937 20.3259 20.3259 23.9459 23.9459 k = 0.5000 0.5000 0.1300 ( 1128 PWs) bands (ev): -1.8263 -1.8263 -1.8239 -1.8239 -1.4060 -1.4060 -1.3678 -1.3678 -1.2757 -1.2757 5.7391 5.7391 7.6196 7.6196 7.9759 7.9759 8.0990 8.0990 9.2624 9.2624 11.1656 11.1656 11.2772 11.2772 12.5728 12.5728 14.7102 14.7102 20.1672 20.1672 23.7394 23.7394 k = 0.5000 0.5000 0.1400 ( 1128 PWs) bands (ev): -1.8255 -1.8255 -1.8236 -1.8236 -1.4066 -1.4066 -1.3656 -1.3656 -1.2757 -1.2757 5.7606 5.7606 7.6000 7.6000 7.9250 7.9250 8.1029 8.1029 9.2622 9.2622 11.2610 11.2610 11.3750 11.3750 12.5590 12.5590 14.7282 14.7282 20.0062 20.0062 23.5303 23.5303 k = 0.5000 0.5000 0.1500 ( 1128 PWs) bands (ev): -1.8247 -1.8247 -1.8232 -1.8232 -1.4072 -1.4072 -1.3632 -1.3632 -1.2757 -1.2757 5.7835 5.7835 7.5747 7.5747 7.8738 7.8738 8.1142 8.1142 9.2622 9.2622 11.3601 11.3601 11.4763 11.4763 12.5441 12.5441 14.7478 14.7478 19.8441 19.8441 23.3193 23.3193 k = 0.5000 0.5000 0.1600 ( 1124 PWs) bands (ev): -1.8239 -1.8239 -1.8228 -1.8228 -1.4077 -1.4077 -1.3607 -1.3607 -1.2757 -1.2757 5.8079 5.8079 7.5445 7.5445 7.8226 7.8226 8.1323 8.1323 9.2624 9.2624 11.4627 11.4627 11.5809 11.5809 12.5282 12.5282 14.7691 14.7691 19.6816 19.6816 23.1069 23.1069 k = 0.5000 0.5000 0.1700 ( 1128 PWs) bands (ev): -1.8232 -1.8232 -1.8224 -1.8224 -1.4084 -1.4084 -1.3582 -1.3582 -1.2758 -1.2758 5.8335 5.8335 7.5104 7.5104 7.7715 7.7715 8.1561 8.1561 9.2627 9.2627 11.5687 11.5687 11.6887 11.6887 12.5112 12.5112 14.7919 14.7919 19.5194 19.5194 22.8936 22.8936 k = 0.5000 0.5000 0.1800 ( 1128 PWs) bands (ev): -1.8225 -1.8225 -1.8220 -1.8220 -1.4091 -1.4091 -1.3554 -1.3554 -1.2758 -1.2758 5.8603 5.8603 7.4736 7.4736 7.7209 7.7209 8.1848 8.1848 9.2632 9.2632 11.6777 11.6777 11.7992 11.7992 12.4933 12.4933 14.8164 14.8164 19.3582 19.3582 22.6798 22.6798 k = 0.5000 0.5000 0.1900 ( 1128 PWs) bands (ev): -1.8217 -1.8217 -1.8217 -1.8217 -1.4098 -1.4098 -1.3526 -1.3526 -1.2758 -1.2758 5.8883 5.8883 7.4349 7.4349 7.6708 7.6708 8.2175 8.2175 9.2637 9.2637 11.7897 11.7897 11.9124 11.9124 12.4744 12.4744 14.8427 14.8427 19.1986 19.1986 22.4657 22.4657 k = 0.5000 0.5000 0.2000 ( 1128 PWs) bands (ev): -1.8213 -1.8213 -1.8210 -1.8210 -1.4105 -1.4105 -1.3496 -1.3496 -1.2758 -1.2758 5.9175 5.9175 7.3950 7.3950 7.6215 7.6215 8.2535 8.2535 9.2644 9.2644 11.9045 11.9045 12.0276 12.0276 12.4550 12.4550 14.8709 14.8709 19.0411 19.0411 22.2518 22.2518 k = 0.5000 0.5000 0.2100 ( 1128 PWs) bands (ev): -1.8209 -1.8209 -1.8203 -1.8203 -1.4112 -1.4112 -1.3465 -1.3465 -1.2757 -1.2757 5.9477 5.9477 7.3545 7.3545 7.5731 7.5731 8.2923 8.2923 9.2651 9.2651 12.0219 12.0219 12.1439 12.1439 12.4359 12.4359 14.9009 14.9009 18.8861 18.8861 22.0380 22.0381 k = 0.5000 0.5000 0.2200 ( 1128 PWs) bands (ev): -1.8205 -1.8205 -1.8197 -1.8197 -1.4120 -1.4120 -1.3433 -1.3433 -1.2757 -1.2757 5.9788 5.9788 7.3137 7.3137 7.5257 7.5257 8.3333 8.3333 9.2660 9.2660 12.1419 12.1419 12.2574 12.2574 12.4209 12.4209 14.9328 14.9328 18.7342 18.7342 21.8248 21.8248 k = 0.5000 0.5000 0.2300 ( 1128 PWs) bands (ev): -1.8201 -1.8201 -1.8190 -1.8190 -1.4127 -1.4127 -1.3401 -1.3401 -1.2757 -1.2757 6.0109 6.0109 7.2731 7.2731 7.4794 7.4794 8.3762 8.3762 9.2669 9.2669 12.2643 12.2643 12.3385 12.3385 12.4397 12.4397 14.9667 14.9667 18.5857 18.5857 21.6122 21.6122 k = 0.5000 0.5000 0.2400 ( 1128 PWs) bands (ev): -1.8197 -1.8197 -1.8185 -1.8185 -1.4135 -1.4135 -1.3368 -1.3368 -1.2756 -1.2756 6.0437 6.0437 7.2328 7.2328 7.4343 7.4343 8.4207 8.4207 9.2679 9.2679 12.3410 12.3410 12.3890 12.3890 12.5382 12.5382 15.0027 15.0027 18.4408 18.4408 21.4003 21.4003 k = 0.5000 0.5000 0.2500 ( 1128 PWs) bands (ev): -1.8193 -1.8193 -1.8179 -1.8179 -1.4143 -1.4143 -1.3334 -1.3334 -1.2756 -1.2756 6.0773 6.0773 7.1932 7.1932 7.3905 7.3905 8.4665 8.4665 9.2689 9.2689 12.3206 12.3206 12.5161 12.5161 12.6607 12.6607 15.0409 15.0409 18.3000 18.3000 21.1893 21.1893 k = 0.5000 0.5000 0.2600 ( 1128 PWs) bands (ev): -1.8190 -1.8190 -1.8174 -1.8174 -1.4150 -1.4150 -1.3300 -1.3300 -1.2755 -1.2755 6.1114 6.1114 7.1543 7.1543 7.3481 7.3481 8.5132 8.5132 9.2700 9.2700 12.2956 12.2956 12.6453 12.6453 12.7891 12.7891 15.0812 15.0812 18.1635 18.1635 20.9793 20.9793 k = 0.5000 0.5000 0.2700 ( 1128 PWs) bands (ev): -1.8186 -1.8186 -1.8170 -1.8170 -1.4158 -1.4158 -1.3265 -1.3265 -1.2754 -1.2754 6.1459 6.1459 7.1164 7.1164 7.3072 7.3072 8.5605 8.5605 9.2712 9.2712 12.2685 12.2685 12.7766 12.7766 12.9206 12.9206 15.1237 15.1237 18.0315 18.0315 20.7704 20.7704 k = 0.5000 0.5000 0.2800 ( 1120 PWs) bands (ev): -1.8182 -1.8182 -1.8164 -1.8164 -1.4165 -1.4165 -1.3228 -1.3228 -1.2754 -1.2754 6.1808 6.1808 7.0797 7.0797 7.2678 7.2678 8.6086 8.6086 9.2724 9.2724 12.2401 12.2401 12.9101 12.9101 13.0548 13.0548 15.1685 15.1685 17.9042 17.9042 20.5627 20.5627 k = 0.5000 0.5000 0.2900 ( 1120 PWs) bands (ev): -1.8179 -1.8179 -1.8161 -1.8161 -1.4173 -1.4173 -1.3193 -1.3193 -1.2753 -1.2753 6.2158 6.2158 7.0440 7.0440 7.2299 7.2299 8.6564 8.6564 9.2736 9.2736 12.2106 12.2106 13.0455 13.0455 13.1911 13.1911 15.2156 15.2156 17.7819 17.7819 20.3561 20.3561 k = 0.5000 0.5000 0.3000 ( 1120 PWs) bands (ev): -1.8176 -1.8176 -1.8158 -1.8158 -1.4180 -1.4180 -1.3158 -1.3158 -1.2752 -1.2752 6.2508 6.2508 7.0097 7.0097 7.1938 7.1938 8.7042 8.7042 9.2748 9.2748 12.1804 12.1804 13.1830 13.1830 13.3296 13.3296 15.2651 15.2651 17.6648 17.6648 20.1509 20.1509 k = 0.5000 0.5000 0.3100 ( 1120 PWs) bands (ev): -1.8173 -1.8173 -1.8155 -1.8155 -1.4188 -1.4188 -1.3124 -1.3124 -1.2751 -1.2751 6.2857 6.2857 6.9767 6.9767 7.1593 7.1593 8.7516 8.7516 9.2761 9.2761 12.1495 12.1495 13.3223 13.3223 13.4701 13.4701 15.3168 15.3168 17.5529 17.5529 19.9470 19.9470 k = 0.5000 0.5000 0.3200 ( 1112 PWs) bands (ev): -1.8169 -1.8169 -1.8152 -1.8152 -1.4194 -1.4194 -1.3090 -1.3090 -1.2749 -1.2749 6.3204 6.3204 6.9451 6.9451 7.1267 7.1267 8.7985 8.7985 9.2775 9.2775 12.1182 12.1182 13.4636 13.4636 13.6127 13.6127 15.3709 15.3709 17.4465 17.4465 19.7446 19.7446 k = 0.5000 0.5000 0.3300 ( 1112 PWs) bands (ev): -1.8166 -1.8166 -1.8150 -1.8150 -1.4201 -1.4201 -1.3057 -1.3057 -1.2748 -1.2748 6.3544 6.3544 6.9150 6.9150 7.0958 7.0958 8.8444 8.8444 9.2787 9.2787 12.0866 12.0866 13.6066 13.6066 13.7571 13.7571 15.4273 15.4273 17.3455 17.3455 19.5436 19.5436 k = 0.5000 0.5000 0.3400 ( 1112 PWs) bands (ev): -1.8163 -1.8163 -1.8149 -1.8149 -1.4208 -1.4208 -1.3025 -1.3025 -1.2747 -1.2747 6.3877 6.3877 6.8863 6.8863 7.0669 7.0669 8.8893 8.8893 9.2800 9.2800 12.0550 12.0550 13.7515 13.7515 13.9034 13.9034 15.4858 15.4858 17.2502 17.2502 19.3441 19.3441 k = 0.5000 0.5000 0.3500 ( 1112 PWs) bands (ev): -1.8161 -1.8161 -1.8147 -1.8147 -1.4214 -1.4214 -1.2994 -1.2994 -1.2746 -1.2746 6.4200 6.4200 6.8593 6.8593 7.0399 7.0399 8.9328 8.9328 9.2813 9.2813 12.0234 12.0234 13.8981 13.8981 14.0516 14.0516 15.5463 15.5463 17.1606 17.1606 19.1462 19.1462 k = 0.5000 0.5000 0.3600 ( 1112 PWs) bands (ev): -1.8159 -1.8159 -1.8146 -1.8146 -1.4220 -1.4220 -1.2964 -1.2964 -1.2745 -1.2745 6.4512 6.4512 6.8338 6.8338 7.0149 7.0149 8.9748 8.9748 9.2826 9.2826 11.9923 11.9923 14.0464 14.0464 14.2016 14.2016 15.6087 15.6087 17.0768 17.0768 18.9498 18.9498 k = 0.5000 0.5000 0.3700 ( 1104 PWs) bands (ev): -1.8156 -1.8156 -1.8145 -1.8145 -1.4225 -1.4225 -1.2935 -1.2935 -1.2743 -1.2743 6.4809 6.4809 6.8100 6.8100 6.9922 6.9922 9.0151 9.0151 9.2839 9.2839 11.9617 11.9617 14.1963 14.1963 14.3534 14.3534 15.6727 15.6727 16.9987 16.9987 18.7552 18.7552 k = 0.5000 0.5000 0.3800 ( 1104 PWs) bands (ev): -1.8154 -1.8154 -1.8144 -1.8144 -1.4231 -1.4231 -1.2908 -1.2908 -1.2742 -1.2742 6.5089 6.5089 6.7879 6.7879 6.9716 6.9716 9.0533 9.0533 9.2851 9.2851 11.9319 11.9319 14.3478 14.3478 14.5070 14.5070 15.7381 15.7381 16.9265 16.9265 18.5622 18.5622 k = 0.5000 0.5000 0.3900 ( 1112 PWs) bands (ev): -1.8153 -1.8153 -1.8145 -1.8145 -1.4237 -1.4237 -1.2883 -1.2883 -1.2742 -1.2742 6.5349 6.5349 6.7672 6.7672 6.9531 6.9531 9.0893 9.0893 9.2862 9.2862 11.9033 11.9033 14.5007 14.5007 14.6624 14.6624 15.8043 15.8043 16.8602 16.8602 18.3710 18.3710 k = 0.5000 0.5000 0.4000 ( 1104 PWs) bands (ev): -1.8151 -1.8151 -1.8144 -1.8144 -1.4241 -1.4241 -1.2859 -1.2859 -1.2740 -1.2740 6.5588 6.5588 6.7486 6.7486 6.9373 6.9373 9.1229 9.1229 9.2874 9.2874 11.8759 11.8759 14.6550 14.6550 14.8196 14.8196 15.8709 15.8709 16.7996 16.7996 18.1816 18.1816 k = 0.5000 0.5000 0.4100 ( 1104 PWs) bands (ev): -1.8149 -1.8149 -1.8144 -1.8144 -1.4245 -1.4245 -1.2837 -1.2837 -1.2739 -1.2739 6.5801 6.5801 6.7316 6.7316 6.9237 6.9237 9.1540 9.1540 9.2884 9.2884 11.8502 11.8502 14.8106 14.8106 14.9785 14.9785 15.9372 15.9372 16.7450 16.7450 17.9942 17.9942 k = 0.5000 0.5000 0.4200 ( 1092 PWs) bands (ev): -1.8147 -1.8147 -1.8142 -1.8142 -1.4247 -1.4247 -1.2815 -1.2815 -1.2738 -1.2738 6.5988 6.5988 6.7164 6.7164 6.9127 6.9127 9.1824 9.1824 9.2894 9.2894 11.8264 11.8264 14.9671 14.9671 15.1392 15.1392 16.0024 16.0024 16.6961 16.6961 17.8088 17.8088 k = 0.5000 0.5000 0.4300 ( 1088 PWs) bands (ev): -1.8146 -1.8146 -1.8141 -1.8141 -1.4251 -1.4251 -1.2795 -1.2795 -1.2738 -1.2738 6.6148 6.6148 6.7029 6.7029 6.9039 6.9039 9.2080 9.2080 9.2903 9.2903 11.8047 11.8047 15.1243 15.1243 15.3015 15.3015 16.0657 16.0657 16.6531 16.6531 17.6257 17.6257 k = 0.5000 0.5000 0.4400 ( 1088 PWs) bands (ev): -1.8145 -1.8145 -1.8142 -1.8142 -1.4254 -1.4254 -1.2780 -1.2780 -1.2737 -1.2737 6.6279 6.6279 6.6912 6.6912 6.8974 6.8974 9.2302 9.2302 9.2911 9.2911 11.7853 11.7853 15.2817 15.2817 15.4656 15.4656 16.1260 16.1260 16.6159 16.6159 17.4450 17.4450 k = 0.5000 0.5000 0.4500 ( 1088 PWs) bands (ev): -1.8144 -1.8144 -1.8142 -1.8142 -1.4257 -1.4257 -1.2766 -1.2766 -1.2736 -1.2736 6.6383 6.6383 6.6812 6.6812 6.8928 6.8928 9.2493 9.2493 9.2918 9.2918 11.7685 11.7685 15.4382 15.4382 15.6313 15.6313 16.1825 16.1825 16.5844 16.5844 17.2673 17.2673 k = 0.5000 0.5000 0.4600 ( 1088 PWs) bands (ev): -1.8143 -1.8143 -1.8142 -1.8142 -1.4259 -1.4259 -1.2755 -1.2755 -1.2736 -1.2736 6.6462 6.6462 6.6730 6.6730 6.8899 6.8899 9.2651 9.2651 9.2924 9.2924 11.7545 11.7545 15.5922 15.5922 15.7987 15.7987 16.2346 16.2346 16.5587 16.5587 17.0933 17.0933 k = 0.5000 0.5000 0.4700 ( 1088 PWs) bands (ev): -1.8143 -1.8143 -1.8142 -1.8142 -1.4260 -1.4260 -1.2746 -1.2746 -1.2736 -1.2736 6.6519 6.6519 6.6667 6.6667 6.8882 6.8882 9.2774 9.2774 9.2929 9.2929 11.7434 11.7434 15.7398 15.7398 15.9677 15.9677 16.2831 16.2831 16.5387 16.5387 16.9244 16.9244 k = 0.5000 0.5000 0.4800 ( 1088 PWs) bands (ev): -1.8143 -1.8143 -1.8142 -1.8142 -1.4262 -1.4262 -1.2740 -1.2740 -1.2735 -1.2735 6.6556 6.6556 6.6621 6.6621 6.8873 6.8873 9.2863 9.2863 9.2932 9.2932 11.7354 11.7354 15.8728 15.8728 16.1382 16.1382 16.3320 16.3320 16.5245 16.5245 16.7633 16.7633 k = 0.5000 0.5000 0.4900 ( 1088 PWs) bands (ev): -1.8142 -1.8142 -1.8142 -1.8142 -1.4262 -1.4262 -1.2736 -1.2736 -1.2735 -1.2735 6.6578 6.6578 6.6594 6.6594 6.8869 6.8869 9.2917 9.2917 9.2934 9.2934 11.7305 11.7305 15.9729 15.9729 16.3097 16.3097 16.3921 16.3921 16.5159 16.5159 16.6161 16.6161 k = 0.5000 0.5000 0.5000 ( 1088 PWs) bands (ev): -1.8142 -1.8142 -1.8142 -1.8142 -1.4263 -1.4263 -1.2735 -1.2735 -1.2735 -1.2735 6.6585 6.6585 6.6585 6.6585 6.8868 6.8868 9.2935 9.2935 9.2935 9.2935 11.7289 11.7289 16.0115 16.0115 16.4597 16.4597 16.4597 16.4597 16.5105 16.5105 16.5144 16.5144 Writing output data file GaAg.save init_run : 0.12s CPU 0.24s WALL ( 1 calls) electrons : 40.86s CPU 41.89s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.00s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 40.86s CPU 41.88s 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 : 0.00s CPU 0.02s WALL ( 384 calls) cegterg : 37.47s CPU 38.18s WALL ( 416 calls) Called by sum_band: Called by *egterg: h_psi : 15.77s CPU 16.33s WALL ( 6161 calls) s_psi : 0.90s CPU 0.92s WALL ( 6161 calls) g_psi : 0.04s CPU 0.04s WALL ( 5361 calls) cdiaghg : 20.14s CPU 20.48s WALL ( 5745 calls) cegterg:over : 1.21s CPU 1.19s WALL ( 5361 calls) cegterg:upda : 0.83s CPU 0.80s WALL ( 5361 calls) cegterg:last : 0.52s CPU 0.47s WALL ( 1123 calls) cdiaghg:chol : 0.88s CPU 1.01s WALL ( 5745 calls) cdiaghg:inve : 0.53s CPU 0.54s WALL ( 5745 calls) cdiaghg:para : 1.27s CPU 1.17s WALL ( 11490 calls) Called by h_psi: h_psi:vloc : 13.63s CPU 14.10s WALL ( 6161 calls) h_psi:vnl : 2.12s CPU 2.21s WALL ( 6161 calls) add_vuspsi : 1.26s CPU 1.22s WALL ( 6161 calls) General routines calbec : 0.86s CPU 0.97s WALL ( 6161 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 12.94s CPU 13.44s WALL ( 427040 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.06s CPU 0.08s WALL ( 768 calls) Parallel routines fft_scatter : 7.35s CPU 7.63s WALL ( 427063 calls) PWSCF : 49.10s CPU 58.30s WALL This run was terminated on: 18:20:56 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=