Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 18:24:19 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: ./ScAg.save/ file Sc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 3P 3P 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 36 18 5 1008 360 61 Max 37 19 6 1013 373 68 Sum 1321 673 213 36377 13205 2325 bravais-lattice index = 14 lattice parameter (alat) = 6.4477 a.u. unit-cell volume = 268.0548 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 22.00 number of Kohn-Sham states= 30 kinetic-energy cutoff = 51.0000 Ry charge density cutoff = 402.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.447745 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 Sc read from file: /users/gautes/Pseudo/Sc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: e27f768e72ba10e20459589e24f2b6a7 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 1173 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 Sc 11.00 44.95590 Sc( 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= 359 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027855 k( 2) = ( 0.0000000 0.0106383 -0.0000000), wk = 0.0027855 k( 3) = ( 0.0000000 0.0212766 -0.0000000), wk = 0.0027855 k( 4) = ( 0.0000000 0.0319149 -0.0000000), wk = 0.0027855 k( 5) = ( 0.0000000 0.0425532 -0.0000000), wk = 0.0027855 k( 6) = ( 0.0000000 0.0531915 -0.0000000), wk = 0.0027855 k( 7) = ( 0.0000000 0.0638298 -0.0000000), wk = 0.0027855 k( 8) = ( 0.0000000 0.0744681 -0.0000000), wk = 0.0027855 k( 9) = ( 0.0000000 0.0851064 -0.0000000), wk = 0.0027855 k( 10) = ( 0.0000000 0.0957447 -0.0000000), wk = 0.0027855 k( 11) = ( 0.0000000 0.1063830 -0.0000000), wk = 0.0027855 k( 12) = ( 0.0000000 0.1170213 -0.0000000), wk = 0.0027855 k( 13) = ( 0.0000000 0.1276596 -0.0000000), wk = 0.0027855 k( 14) = ( 0.0000000 0.1382979 -0.0000000), wk = 0.0027855 k( 15) = ( 0.0000000 0.1489362 -0.0000000), wk = 0.0027855 k( 16) = ( 0.0000000 0.1595745 -0.0000000), wk = 0.0027855 k( 17) = ( 0.0000000 0.1702128 -0.0000000), wk = 0.0027855 k( 18) = ( 0.0000000 0.1808511 -0.0000000), wk = 0.0027855 k( 19) = ( 0.0000000 0.1914894 -0.0000000), wk = 0.0027855 k( 20) = ( 0.0000000 0.2021277 -0.0000000), wk = 0.0027855 k( 21) = ( 0.0000000 0.2127660 -0.0000000), wk = 0.0027855 k( 22) = ( 0.0000000 0.2234043 -0.0000000), wk = 0.0027855 k( 23) = ( 0.0000000 0.2340425 -0.0000000), wk = 0.0027855 k( 24) = ( 0.0000000 0.2446809 -0.0000000), wk = 0.0027855 k( 25) = ( 0.0000000 0.2553191 -0.0000000), wk = 0.0027855 k( 26) = ( 0.0000000 0.2659574 -0.0000000), wk = 0.0027855 k( 27) = ( 0.0000000 0.2765957 -0.0000000), wk = 0.0027855 k( 28) = ( 0.0000000 0.2872340 -0.0000000), wk = 0.0027855 k( 29) = ( 0.0000000 0.2978723 -0.0000000), wk = 0.0027855 k( 30) = ( 0.0000000 0.3085106 -0.0000000), wk = 0.0027855 k( 31) = ( 0.0000000 0.3191489 -0.0000000), wk = 0.0027855 k( 32) = ( 0.0000000 0.3297872 -0.0000000), wk = 0.0027855 k( 33) = ( 0.0000000 0.3404255 -0.0000000), wk = 0.0027855 k( 34) = ( 0.0000000 0.3510638 -0.0000000), wk = 0.0027855 k( 35) = ( 0.0000000 0.3617021 -0.0000000), wk = 0.0027855 k( 36) = ( 0.0000000 0.3723404 -0.0000000), wk = 0.0027855 k( 37) = ( 0.0000000 0.3829787 -0.0000000), wk = 0.0027855 k( 38) = ( 0.0000000 0.3936170 -0.0000000), wk = 0.0027855 k( 39) = ( 0.0000000 0.4042553 -0.0000000), wk = 0.0027855 k( 40) = ( 0.0000000 0.4148936 -0.0000000), wk = 0.0027855 k( 41) = ( 0.0000000 0.4255319 -0.0000000), wk = 0.0027855 k( 42) = ( 0.0000000 0.4361702 -0.0000000), wk = 0.0027855 k( 43) = ( 0.0000000 0.4468085 -0.0000000), wk = 0.0027855 k( 44) = ( 0.0000000 0.4574468 -0.0000000), wk = 0.0027855 k( 45) = ( 0.0000000 0.4680851 -0.0000000), wk = 0.0027855 k( 46) = ( 0.0000000 0.4787234 -0.0000000), wk = 0.0027855 k( 47) = ( 0.0000000 0.4893617 -0.0000000), wk = 0.0027855 k( 48) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027855 k( 49) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027855 k( 50) = ( 0.0106383 0.5000000 -0.0000000), wk = 0.0027855 k( 51) = ( 0.0212766 0.5000000 -0.0000000), wk = 0.0027855 k( 52) = ( 0.0319149 0.5000000 -0.0000000), wk = 0.0027855 k( 53) = ( 0.0425532 0.5000000 -0.0000000), wk = 0.0027855 k( 54) = ( 0.0531915 0.5000000 -0.0000000), wk = 0.0027855 k( 55) = ( 0.0638298 0.5000000 -0.0000000), wk = 0.0027855 k( 56) = ( 0.0744681 0.5000000 -0.0000000), wk = 0.0027855 k( 57) = ( 0.0851064 0.5000000 -0.0000000), wk = 0.0027855 k( 58) = ( 0.0957447 0.5000000 -0.0000000), wk = 0.0027855 k( 59) = ( 0.1063830 0.5000000 -0.0000000), wk = 0.0027855 k( 60) = ( 0.1170213 0.5000000 -0.0000000), wk = 0.0027855 k( 61) = ( 0.1276596 0.5000000 -0.0000000), wk = 0.0027855 k( 62) = ( 0.1382979 0.5000000 -0.0000000), wk = 0.0027855 k( 63) = ( 0.1489362 0.5000000 -0.0000000), wk = 0.0027855 k( 64) = ( 0.1595745 0.5000000 -0.0000000), wk = 0.0027855 k( 65) = ( 0.1702128 0.5000000 -0.0000000), wk = 0.0027855 k( 66) = ( 0.1808511 0.5000000 -0.0000000), wk = 0.0027855 k( 67) = ( 0.1914894 0.5000000 -0.0000000), wk = 0.0027855 k( 68) = ( 0.2021277 0.5000000 -0.0000000), wk = 0.0027855 k( 69) = ( 0.2127660 0.5000000 -0.0000000), wk = 0.0027855 k( 70) = ( 0.2234043 0.5000000 -0.0000000), wk = 0.0027855 k( 71) = ( 0.2340425 0.5000000 -0.0000000), wk = 0.0027855 k( 72) = ( 0.2446809 0.5000000 -0.0000000), wk = 0.0027855 k( 73) = ( 0.2553191 0.5000000 -0.0000000), wk = 0.0027855 k( 74) = ( 0.2659574 0.5000000 -0.0000000), wk = 0.0027855 k( 75) = ( 0.2765957 0.5000000 -0.0000000), wk = 0.0027855 k( 76) = ( 0.2872340 0.5000000 -0.0000000), wk = 0.0027855 k( 77) = ( 0.2978723 0.5000000 -0.0000000), wk = 0.0027855 k( 78) = ( 0.3085106 0.5000000 -0.0000000), wk = 0.0027855 k( 79) = ( 0.3191489 0.5000000 -0.0000000), wk = 0.0027855 k( 80) = ( 0.3297872 0.5000000 -0.0000000), wk = 0.0027855 k( 81) = ( 0.3404255 0.5000000 -0.0000000), wk = 0.0027855 k( 82) = ( 0.3510638 0.5000000 -0.0000000), wk = 0.0027855 k( 83) = ( 0.3617021 0.5000000 -0.0000000), wk = 0.0027855 k( 84) = ( 0.3723404 0.5000000 -0.0000000), wk = 0.0027855 k( 85) = ( 0.3829787 0.5000000 -0.0000000), wk = 0.0027855 k( 86) = ( 0.3936170 0.5000000 -0.0000000), wk = 0.0027855 k( 87) = ( 0.4042553 0.5000000 -0.0000000), wk = 0.0027855 k( 88) = ( 0.4148936 0.5000000 -0.0000000), wk = 0.0027855 k( 89) = ( 0.4255319 0.5000000 -0.0000000), wk = 0.0027855 k( 90) = ( 0.4361702 0.5000000 -0.0000000), wk = 0.0027855 k( 91) = ( 0.4468085 0.5000000 -0.0000000), wk = 0.0027855 k( 92) = ( 0.4574468 0.5000000 -0.0000000), wk = 0.0027855 k( 93) = ( 0.4680851 0.5000000 -0.0000000), wk = 0.0027855 k( 94) = ( 0.4787234 0.5000000 -0.0000000), wk = 0.0027855 k( 95) = ( 0.4893617 0.5000000 -0.0000000), wk = 0.0027855 k( 96) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027855 k( 97) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027855 k( 98) = ( 0.4924242 0.4924242 -0.0000000), wk = 0.0027855 k( 99) = ( 0.4848485 0.4848485 -0.0000000), wk = 0.0027855 k( 100) = ( 0.4772727 0.4772727 -0.0000000), wk = 0.0027855 k( 101) = ( 0.4696970 0.4696970 -0.0000000), wk = 0.0027855 k( 102) = ( 0.4621212 0.4621212 -0.0000000), wk = 0.0027855 k( 103) = ( 0.4545455 0.4545454 -0.0000000), wk = 0.0027855 k( 104) = ( 0.4469697 0.4469697 -0.0000000), wk = 0.0027855 k( 105) = ( 0.4393939 0.4393939 -0.0000000), wk = 0.0027855 k( 106) = ( 0.4318182 0.4318182 -0.0000000), wk = 0.0027855 k( 107) = ( 0.4242424 0.4242424 -0.0000000), wk = 0.0027855 k( 108) = ( 0.4166667 0.4166667 -0.0000000), wk = 0.0027855 k( 109) = ( 0.4090909 0.4090909 -0.0000000), wk = 0.0027855 k( 110) = ( 0.4015151 0.4015151 -0.0000000), wk = 0.0027855 k( 111) = ( 0.3939394 0.3939394 -0.0000000), wk = 0.0027855 k( 112) = ( 0.3863636 0.3863636 -0.0000000), wk = 0.0027855 k( 113) = ( 0.3787879 0.3787879 -0.0000000), wk = 0.0027855 k( 114) = ( 0.3712121 0.3712121 -0.0000000), wk = 0.0027855 k( 115) = ( 0.3636364 0.3636364 -0.0000000), wk = 0.0027855 k( 116) = ( 0.3560606 0.3560606 -0.0000000), wk = 0.0027855 k( 117) = ( 0.3484849 0.3484848 -0.0000000), wk = 0.0027855 k( 118) = ( 0.3409091 0.3409091 -0.0000000), wk = 0.0027855 k( 119) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0027855 k( 120) = ( 0.3257576 0.3257576 -0.0000000), wk = 0.0027855 k( 121) = ( 0.3181818 0.3181818 -0.0000000), wk = 0.0027855 k( 122) = ( 0.3106061 0.3106061 -0.0000000), wk = 0.0027855 k( 123) = ( 0.3030303 0.3030303 -0.0000000), wk = 0.0027855 k( 124) = ( 0.2954545 0.2954545 -0.0000000), wk = 0.0027855 k( 125) = ( 0.2878788 0.2878788 -0.0000000), wk = 0.0027855 k( 126) = ( 0.2803030 0.2803030 -0.0000000), wk = 0.0027855 k( 127) = ( 0.2727273 0.2727273 -0.0000000), wk = 0.0027855 k( 128) = ( 0.2651515 0.2651515 -0.0000000), wk = 0.0027855 k( 129) = ( 0.2575758 0.2575758 -0.0000000), wk = 0.0027855 k( 130) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0027855 k( 131) = ( 0.2424242 0.2424242 -0.0000000), wk = 0.0027855 k( 132) = ( 0.2348485 0.2348485 -0.0000000), wk = 0.0027855 k( 133) = ( 0.2272727 0.2272727 -0.0000000), wk = 0.0027855 k( 134) = ( 0.2196970 0.2196970 -0.0000000), wk = 0.0027855 k( 135) = ( 0.2121212 0.2121212 -0.0000000), wk = 0.0027855 k( 136) = ( 0.2045454 0.2045454 -0.0000000), wk = 0.0027855 k( 137) = ( 0.1969697 0.1969697 -0.0000000), wk = 0.0027855 k( 138) = ( 0.1893939 0.1893939 -0.0000000), wk = 0.0027855 k( 139) = ( 0.1818182 0.1818182 -0.0000000), wk = 0.0027855 k( 140) = ( 0.1742424 0.1742424 -0.0000000), wk = 0.0027855 k( 141) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0027855 k( 142) = ( 0.1590909 0.1590909 -0.0000000), wk = 0.0027855 k( 143) = ( 0.1515151 0.1515151 -0.0000000), wk = 0.0027855 k( 144) = ( 0.1439394 0.1439394 -0.0000000), wk = 0.0027855 k( 145) = ( 0.1363636 0.1363636 -0.0000000), wk = 0.0027855 k( 146) = ( 0.1287879 0.1287879 -0.0000000), wk = 0.0027855 k( 147) = ( 0.1212121 0.1212121 -0.0000000), wk = 0.0027855 k( 148) = ( 0.1136364 0.1136364 -0.0000000), wk = 0.0027855 k( 149) = ( 0.1060606 0.1060606 -0.0000000), wk = 0.0027855 k( 150) = ( 0.0984848 0.0984848 -0.0000000), wk = 0.0027855 k( 151) = ( 0.0909091 0.0909091 -0.0000000), wk = 0.0027855 k( 152) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0027855 k( 153) = ( 0.0757576 0.0757576 -0.0000000), wk = 0.0027855 k( 154) = ( 0.0681818 0.0681818 -0.0000000), wk = 0.0027855 k( 155) = ( 0.0606061 0.0606061 -0.0000000), wk = 0.0027855 k( 156) = ( 0.0530303 0.0530303 -0.0000000), wk = 0.0027855 k( 157) = ( 0.0454546 0.0454545 -0.0000000), wk = 0.0027855 k( 158) = ( 0.0378788 0.0378788 -0.0000000), wk = 0.0027855 k( 159) = ( 0.0303030 0.0303030 -0.0000000), wk = 0.0027855 k( 160) = ( 0.0227273 0.0227273 -0.0000000), wk = 0.0027855 k( 161) = ( 0.0151515 0.0151515 -0.0000000), wk = 0.0027855 k( 162) = ( 0.0075758 0.0075758 -0.0000000), wk = 0.0027855 k( 163) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027855 k( 164) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027855 k( 165) = ( 0.0062500 0.0062500 0.0062500), wk = 0.0027855 k( 166) = ( 0.0125000 0.0125000 0.0125000), wk = 0.0027855 k( 167) = ( 0.0187500 0.0187500 0.0187500), wk = 0.0027855 k( 168) = ( 0.0250000 0.0250000 0.0250000), wk = 0.0027855 k( 169) = ( 0.0312500 0.0312500 0.0312500), wk = 0.0027855 k( 170) = ( 0.0375000 0.0375000 0.0375000), wk = 0.0027855 k( 171) = ( 0.0437500 0.0437500 0.0437500), wk = 0.0027855 k( 172) = ( 0.0500000 0.0500000 0.0500000), wk = 0.0027855 k( 173) = ( 0.0562500 0.0562500 0.0562500), wk = 0.0027855 k( 174) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0027855 k( 175) = ( 0.0687500 0.0687500 0.0687500), wk = 0.0027855 k( 176) = ( 0.0750000 0.0750000 0.0750000), wk = 0.0027855 k( 177) = ( 0.0812500 0.0812500 0.0812500), wk = 0.0027855 k( 178) = ( 0.0875000 0.0875000 0.0875000), wk = 0.0027855 k( 179) = ( 0.0937500 0.0937500 0.0937500), wk = 0.0027855 k( 180) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0027855 k( 181) = ( 0.1062500 0.1062500 0.1062500), wk = 0.0027855 k( 182) = ( 0.1125000 0.1125000 0.1125000), wk = 0.0027855 k( 183) = ( 0.1187500 0.1187500 0.1187500), wk = 0.0027855 k( 184) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0027855 k( 185) = ( 0.1312500 0.1312500 0.1312500), wk = 0.0027855 k( 186) = ( 0.1375000 0.1375000 0.1375000), wk = 0.0027855 k( 187) = ( 0.1437500 0.1437500 0.1437500), wk = 0.0027855 k( 188) = ( 0.1500000 0.1500000 0.1500000), wk = 0.0027855 k( 189) = ( 0.1562500 0.1562500 0.1562500), wk = 0.0027855 k( 190) = ( 0.1625000 0.1625000 0.1625000), wk = 0.0027855 k( 191) = ( 0.1687500 0.1687500 0.1687500), wk = 0.0027855 k( 192) = ( 0.1750000 0.1750000 0.1750000), wk = 0.0027855 k( 193) = ( 0.1812500 0.1812500 0.1812500), wk = 0.0027855 k( 194) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0027855 k( 195) = ( 0.1937500 0.1937500 0.1937500), wk = 0.0027855 k( 196) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0027855 k( 197) = ( 0.2062500 0.2062500 0.2062500), wk = 0.0027855 k( 198) = ( 0.2125000 0.2125000 0.2125000), wk = 0.0027855 k( 199) = ( 0.2187500 0.2187500 0.2187500), wk = 0.0027855 k( 200) = ( 0.2250000 0.2250000 0.2250000), wk = 0.0027855 k( 201) = ( 0.2312500 0.2312500 0.2312500), wk = 0.0027855 k( 202) = ( 0.2375000 0.2375000 0.2375000), wk = 0.0027855 k( 203) = ( 0.2437500 0.2437500 0.2437500), wk = 0.0027855 k( 204) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0027855 k( 205) = ( 0.2562500 0.2562500 0.2562500), wk = 0.0027855 k( 206) = ( 0.2625000 0.2625000 0.2625000), wk = 0.0027855 k( 207) = ( 0.2687500 0.2687500 0.2687500), wk = 0.0027855 k( 208) = ( 0.2750000 0.2750000 0.2750000), wk = 0.0027855 k( 209) = ( 0.2812500 0.2812500 0.2812500), wk = 0.0027855 k( 210) = ( 0.2875000 0.2875000 0.2875000), wk = 0.0027855 k( 211) = ( 0.2937500 0.2937500 0.2937500), wk = 0.0027855 k( 212) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0027855 k( 213) = ( 0.3062500 0.3062500 0.3062500), wk = 0.0027855 k( 214) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0027855 k( 215) = ( 0.3187500 0.3187500 0.3187500), wk = 0.0027855 k( 216) = ( 0.3250000 0.3250000 0.3250000), wk = 0.0027855 k( 217) = ( 0.3312500 0.3312500 0.3312500), wk = 0.0027855 k( 218) = ( 0.3375000 0.3375000 0.3375000), wk = 0.0027855 k( 219) = ( 0.3437500 0.3437500 0.3437500), wk = 0.0027855 k( 220) = ( 0.3500000 0.3500000 0.3500000), wk = 0.0027855 k( 221) = ( 0.3562500 0.3562500 0.3562500), wk = 0.0027855 k( 222) = ( 0.3625000 0.3625000 0.3625000), wk = 0.0027855 k( 223) = ( 0.3687500 0.3687500 0.3687500), wk = 0.0027855 k( 224) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0027855 k( 225) = ( 0.3812500 0.3812500 0.3812500), wk = 0.0027855 k( 226) = ( 0.3875000 0.3875000 0.3875000), wk = 0.0027855 k( 227) = ( 0.3937500 0.3937500 0.3937500), wk = 0.0027855 k( 228) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0027855 k( 229) = ( 0.4062500 0.4062500 0.4062500), wk = 0.0027855 k( 230) = ( 0.4125000 0.4125000 0.4125000), wk = 0.0027855 k( 231) = ( 0.4187500 0.4187500 0.4187500), wk = 0.0027855 k( 232) = ( 0.4250000 0.4250000 0.4250000), wk = 0.0027855 k( 233) = ( 0.4312500 0.4312500 0.4312500), wk = 0.0027855 k( 234) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0027855 k( 235) = ( 0.4437500 0.4437500 0.4437500), wk = 0.0027855 k( 236) = ( 0.4500000 0.4500000 0.4500000), wk = 0.0027855 k( 237) = ( 0.4562500 0.4562500 0.4562500), wk = 0.0027855 k( 238) = ( 0.4625000 0.4625000 0.4625000), wk = 0.0027855 k( 239) = ( 0.4687500 0.4687500 0.4687500), wk = 0.0027855 k( 240) = ( 0.4750000 0.4750000 0.4750000), wk = 0.0027855 k( 241) = ( 0.4812500 0.4812500 0.4812500), wk = 0.0027855 k( 242) = ( 0.4875000 0.4875000 0.4875000), wk = 0.0027855 k( 243) = ( 0.4937500 0.4937500 0.4937500), wk = 0.0027855 k( 244) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027855 k( 245) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027855 k( 246) = ( 0.4924242 0.5000000 0.4924242), wk = 0.0027855 k( 247) = ( 0.4848485 0.5000000 0.4848485), wk = 0.0027855 k( 248) = ( 0.4772727 0.5000000 0.4772727), wk = 0.0027855 k( 249) = ( 0.4696970 0.5000000 0.4696970), wk = 0.0027855 k( 250) = ( 0.4621212 0.5000000 0.4621212), wk = 0.0027855 k( 251) = ( 0.4545455 0.5000000 0.4545454), wk = 0.0027855 k( 252) = ( 0.4469697 0.5000000 0.4469697), wk = 0.0027855 k( 253) = ( 0.4393939 0.5000000 0.4393939), wk = 0.0027855 k( 254) = ( 0.4318182 0.5000000 0.4318182), wk = 0.0027855 k( 255) = ( 0.4242424 0.5000000 0.4242424), wk = 0.0027855 k( 256) = ( 0.4166667 0.5000000 0.4166667), wk = 0.0027855 k( 257) = ( 0.4090909 0.5000000 0.4090909), wk = 0.0027855 k( 258) = ( 0.4015151 0.5000000 0.4015151), wk = 0.0027855 k( 259) = ( 0.3939394 0.5000000 0.3939394), wk = 0.0027855 k( 260) = ( 0.3863636 0.5000000 0.3863636), wk = 0.0027855 k( 261) = ( 0.3787879 0.5000000 0.3787879), wk = 0.0027855 k( 262) = ( 0.3712121 0.5000000 0.3712121), wk = 0.0027855 k( 263) = ( 0.3636364 0.5000000 0.3636364), wk = 0.0027855 k( 264) = ( 0.3560606 0.5000000 0.3560606), wk = 0.0027855 k( 265) = ( 0.3484849 0.5000000 0.3484848), wk = 0.0027855 k( 266) = ( 0.3409091 0.5000000 0.3409091), wk = 0.0027855 k( 267) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0027855 k( 268) = ( 0.3257576 0.5000000 0.3257576), wk = 0.0027855 k( 269) = ( 0.3181818 0.5000000 0.3181818), wk = 0.0027855 k( 270) = ( 0.3106061 0.5000000 0.3106061), wk = 0.0027855 k( 271) = ( 0.3030303 0.5000000 0.3030303), wk = 0.0027855 k( 272) = ( 0.2954545 0.5000000 0.2954545), wk = 0.0027855 k( 273) = ( 0.2878788 0.5000000 0.2878788), wk = 0.0027855 k( 274) = ( 0.2803030 0.5000000 0.2803030), wk = 0.0027855 k( 275) = ( 0.2727273 0.5000000 0.2727273), wk = 0.0027855 k( 276) = ( 0.2651515 0.5000000 0.2651515), wk = 0.0027855 k( 277) = ( 0.2575758 0.5000000 0.2575758), wk = 0.0027855 k( 278) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0027855 k( 279) = ( 0.2424242 0.5000000 0.2424242), wk = 0.0027855 k( 280) = ( 0.2348485 0.5000000 0.2348485), wk = 0.0027855 k( 281) = ( 0.2272727 0.5000000 0.2272727), wk = 0.0027855 k( 282) = ( 0.2196970 0.5000000 0.2196970), wk = 0.0027855 k( 283) = ( 0.2121212 0.5000000 0.2121212), wk = 0.0027855 k( 284) = ( 0.2045454 0.5000000 0.2045454), wk = 0.0027855 k( 285) = ( 0.1969697 0.5000000 0.1969697), wk = 0.0027855 k( 286) = ( 0.1893939 0.5000000 0.1893939), wk = 0.0027855 k( 287) = ( 0.1818182 0.5000000 0.1818182), wk = 0.0027855 k( 288) = ( 0.1742424 0.5000000 0.1742424), wk = 0.0027855 k( 289) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0027855 k( 290) = ( 0.1590909 0.5000000 0.1590909), wk = 0.0027855 k( 291) = ( 0.1515151 0.5000000 0.1515151), wk = 0.0027855 k( 292) = ( 0.1439394 0.5000000 0.1439394), wk = 0.0027855 k( 293) = ( 0.1363636 0.5000000 0.1363636), wk = 0.0027855 k( 294) = ( 0.1287879 0.5000000 0.1287879), wk = 0.0027855 k( 295) = ( 0.1212121 0.5000000 0.1212121), wk = 0.0027855 k( 296) = ( 0.1136364 0.5000000 0.1136364), wk = 0.0027855 k( 297) = ( 0.1060606 0.5000000 0.1060606), wk = 0.0027855 k( 298) = ( 0.0984848 0.5000000 0.0984848), wk = 0.0027855 k( 299) = ( 0.0909091 0.5000000 0.0909091), wk = 0.0027855 k( 300) = ( 0.0833333 0.5000000 0.0833333), wk = 0.0027855 k( 301) = ( 0.0757576 0.5000000 0.0757576), wk = 0.0027855 k( 302) = ( 0.0681818 0.5000000 0.0681818), wk = 0.0027855 k( 303) = ( 0.0606061 0.5000000 0.0606061), wk = 0.0027855 k( 304) = ( 0.0530303 0.5000000 0.0530303), wk = 0.0027855 k( 305) = ( 0.0454546 0.5000000 0.0454545), wk = 0.0027855 k( 306) = ( 0.0378788 0.5000000 0.0378788), wk = 0.0027855 k( 307) = ( 0.0303030 0.5000000 0.0303030), wk = 0.0027855 k( 308) = ( 0.0227273 0.5000000 0.0227273), wk = 0.0027855 k( 309) = ( 0.0151515 0.5000000 0.0151515), wk = 0.0027855 k( 310) = ( 0.0075758 0.5000000 0.0075758), wk = 0.0027855 k( 311) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027855 k( 312) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027855 k( 313) = ( 0.5000000 0.5000000 0.0106383), wk = 0.0027855 k( 314) = ( 0.5000000 0.5000000 0.0212766), wk = 0.0027855 k( 315) = ( 0.5000000 0.5000000 0.0319149), wk = 0.0027855 k( 316) = ( 0.5000000 0.5000000 0.0425532), wk = 0.0027855 k( 317) = ( 0.5000000 0.5000000 0.0531915), wk = 0.0027855 k( 318) = ( 0.5000000 0.5000000 0.0638298), wk = 0.0027855 k( 319) = ( 0.5000000 0.5000000 0.0744681), wk = 0.0027855 k( 320) = ( 0.5000000 0.5000000 0.0851064), wk = 0.0027855 k( 321) = ( 0.5000000 0.5000000 0.0957447), wk = 0.0027855 k( 322) = ( 0.5000000 0.5000000 0.1063830), wk = 0.0027855 k( 323) = ( 0.5000000 0.5000000 0.1170213), wk = 0.0027855 k( 324) = ( 0.5000000 0.5000000 0.1276596), wk = 0.0027855 k( 325) = ( 0.5000000 0.5000000 0.1382979), wk = 0.0027855 k( 326) = ( 0.5000000 0.5000000 0.1489362), wk = 0.0027855 k( 327) = ( 0.5000000 0.5000000 0.1595745), wk = 0.0027855 k( 328) = ( 0.5000000 0.5000000 0.1702128), wk = 0.0027855 k( 329) = ( 0.5000000 0.5000000 0.1808511), wk = 0.0027855 k( 330) = ( 0.5000000 0.5000000 0.1914894), wk = 0.0027855 k( 331) = ( 0.5000000 0.5000000 0.2021277), wk = 0.0027855 k( 332) = ( 0.5000000 0.5000000 0.2127660), wk = 0.0027855 k( 333) = ( 0.5000000 0.5000000 0.2234043), wk = 0.0027855 k( 334) = ( 0.5000000 0.5000000 0.2340425), wk = 0.0027855 k( 335) = ( 0.5000000 0.5000000 0.2446808), wk = 0.0027855 k( 336) = ( 0.5000000 0.5000000 0.2553191), wk = 0.0027855 k( 337) = ( 0.5000000 0.5000000 0.2659574), wk = 0.0027855 k( 338) = ( 0.5000000 0.5000000 0.2765957), wk = 0.0027855 k( 339) = ( 0.5000000 0.5000000 0.2872340), wk = 0.0027855 k( 340) = ( 0.5000000 0.5000000 0.2978723), wk = 0.0027855 k( 341) = ( 0.5000000 0.5000000 0.3085106), wk = 0.0027855 k( 342) = ( 0.5000000 0.5000000 0.3191489), wk = 0.0027855 k( 343) = ( 0.5000000 0.5000000 0.3297872), wk = 0.0027855 k( 344) = ( 0.5000000 0.5000000 0.3404255), wk = 0.0027855 k( 345) = ( 0.5000000 0.5000000 0.3510638), wk = 0.0027855 k( 346) = ( 0.5000000 0.5000000 0.3617021), wk = 0.0027855 k( 347) = ( 0.5000000 0.5000000 0.3723404), wk = 0.0027855 k( 348) = ( 0.5000000 0.5000000 0.3829787), wk = 0.0027855 k( 349) = ( 0.5000000 0.5000000 0.3936170), wk = 0.0027855 k( 350) = ( 0.5000000 0.5000000 0.4042553), wk = 0.0027855 k( 351) = ( 0.5000000 0.5000000 0.4148936), wk = 0.0027855 k( 352) = ( 0.5000000 0.5000000 0.4255319), wk = 0.0027855 k( 353) = ( 0.5000000 0.5000000 0.4361702), wk = 0.0027855 k( 354) = ( 0.5000000 0.5000000 0.4468085), wk = 0.0027855 k( 355) = ( 0.5000000 0.5000000 0.4574468), wk = 0.0027855 k( 356) = ( 0.5000000 0.5000000 0.4680851), wk = 0.0027855 k( 357) = ( 0.5000000 0.5000000 0.4787234), wk = 0.0027855 k( 358) = ( 0.5000000 0.5000000 0.4893617), wk = 0.0027855 k( 359) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027855 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027855 k( 2) = ( 0.0000000 0.0106383 0.0000000), wk = 0.0027855 k( 3) = ( 0.0000000 0.0212766 0.0000000), wk = 0.0027855 k( 4) = ( 0.0000000 0.0319149 0.0000000), wk = 0.0027855 k( 5) = ( 0.0000000 0.0425532 0.0000000), wk = 0.0027855 k( 6) = ( 0.0000000 0.0531915 0.0000000), wk = 0.0027855 k( 7) = ( 0.0000000 0.0638298 0.0000000), wk = 0.0027855 k( 8) = ( 0.0000000 0.0744681 0.0000000), wk = 0.0027855 k( 9) = ( 0.0000000 0.0851064 0.0000000), wk = 0.0027855 k( 10) = ( 0.0000000 0.0957447 0.0000000), wk = 0.0027855 k( 11) = ( 0.0000000 0.1063830 0.0000000), wk = 0.0027855 k( 12) = ( 0.0000000 0.1170213 0.0000000), wk = 0.0027855 k( 13) = ( 0.0000000 0.1276596 0.0000000), wk = 0.0027855 k( 14) = ( 0.0000000 0.1382979 0.0000000), wk = 0.0027855 k( 15) = ( 0.0000000 0.1489362 0.0000000), wk = 0.0027855 k( 16) = ( 0.0000000 0.1595745 0.0000000), wk = 0.0027855 k( 17) = ( 0.0000000 0.1702128 0.0000000), wk = 0.0027855 k( 18) = ( 0.0000000 0.1808511 0.0000000), wk = 0.0027855 k( 19) = ( 0.0000000 0.1914894 0.0000000), wk = 0.0027855 k( 20) = ( 0.0000000 0.2021277 0.0000000), wk = 0.0027855 k( 21) = ( 0.0000000 0.2127660 0.0000000), wk = 0.0027855 k( 22) = ( 0.0000000 0.2234043 0.0000000), wk = 0.0027855 k( 23) = ( 0.0000000 0.2340425 0.0000000), wk = 0.0027855 k( 24) = ( 0.0000000 0.2446809 0.0000000), wk = 0.0027855 k( 25) = ( 0.0000000 0.2553191 0.0000000), wk = 0.0027855 k( 26) = ( 0.0000000 0.2659574 0.0000000), wk = 0.0027855 k( 27) = ( 0.0000000 0.2765957 0.0000000), wk = 0.0027855 k( 28) = ( 0.0000000 0.2872340 0.0000000), wk = 0.0027855 k( 29) = ( 0.0000000 0.2978723 0.0000000), wk = 0.0027855 k( 30) = ( 0.0000000 0.3085106 0.0000000), wk = 0.0027855 k( 31) = ( 0.0000000 0.3191489 0.0000000), wk = 0.0027855 k( 32) = ( 0.0000000 0.3297872 0.0000000), wk = 0.0027855 k( 33) = ( 0.0000000 0.3404255 0.0000000), wk = 0.0027855 k( 34) = ( 0.0000000 0.3510638 0.0000000), wk = 0.0027855 k( 35) = ( 0.0000000 0.3617021 0.0000000), wk = 0.0027855 k( 36) = ( 0.0000000 0.3723404 0.0000000), wk = 0.0027855 k( 37) = ( 0.0000000 0.3829787 0.0000000), wk = 0.0027855 k( 38) = ( 0.0000000 0.3936170 0.0000000), wk = 0.0027855 k( 39) = ( 0.0000000 0.4042553 0.0000000), wk = 0.0027855 k( 40) = ( 0.0000000 0.4148936 0.0000000), wk = 0.0027855 k( 41) = ( 0.0000000 0.4255319 0.0000000), wk = 0.0027855 k( 42) = ( 0.0000000 0.4361702 0.0000000), wk = 0.0027855 k( 43) = ( 0.0000000 0.4468085 0.0000000), wk = 0.0027855 k( 44) = ( 0.0000000 0.4574468 0.0000000), wk = 0.0027855 k( 45) = ( 0.0000000 0.4680851 0.0000000), wk = 0.0027855 k( 46) = ( 0.0000000 0.4787234 0.0000000), wk = 0.0027855 k( 47) = ( 0.0000000 0.4893617 0.0000000), wk = 0.0027855 k( 48) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027855 k( 49) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027855 k( 50) = ( 0.0106383 0.5000000 0.0000000), wk = 0.0027855 k( 51) = ( 0.0212766 0.5000000 0.0000000), wk = 0.0027855 k( 52) = ( 0.0319149 0.5000000 0.0000000), wk = 0.0027855 k( 53) = ( 0.0425532 0.5000000 0.0000000), wk = 0.0027855 k( 54) = ( 0.0531915 0.5000000 0.0000000), wk = 0.0027855 k( 55) = ( 0.0638298 0.5000000 0.0000000), wk = 0.0027855 k( 56) = ( 0.0744681 0.5000000 0.0000000), wk = 0.0027855 k( 57) = ( 0.0851064 0.5000000 0.0000000), wk = 0.0027855 k( 58) = ( 0.0957447 0.5000000 0.0000000), wk = 0.0027855 k( 59) = ( 0.1063830 0.5000000 0.0000000), wk = 0.0027855 k( 60) = ( 0.1170213 0.5000000 0.0000000), wk = 0.0027855 k( 61) = ( 0.1276596 0.5000000 0.0000000), wk = 0.0027855 k( 62) = ( 0.1382979 0.5000000 0.0000000), wk = 0.0027855 k( 63) = ( 0.1489362 0.5000000 0.0000000), wk = 0.0027855 k( 64) = ( 0.1595745 0.5000000 0.0000000), wk = 0.0027855 k( 65) = ( 0.1702128 0.5000000 0.0000000), wk = 0.0027855 k( 66) = ( 0.1808511 0.5000000 0.0000000), wk = 0.0027855 k( 67) = ( 0.1914894 0.5000000 0.0000000), wk = 0.0027855 k( 68) = ( 0.2021277 0.5000000 0.0000000), wk = 0.0027855 k( 69) = ( 0.2127660 0.5000000 0.0000000), wk = 0.0027855 k( 70) = ( 0.2234043 0.5000000 0.0000000), wk = 0.0027855 k( 71) = ( 0.2340425 0.5000000 0.0000000), wk = 0.0027855 k( 72) = ( 0.2446809 0.5000000 0.0000000), wk = 0.0027855 k( 73) = ( 0.2553191 0.5000000 0.0000000), wk = 0.0027855 k( 74) = ( 0.2659574 0.5000000 0.0000000), wk = 0.0027855 k( 75) = ( 0.2765957 0.5000000 0.0000000), wk = 0.0027855 k( 76) = ( 0.2872340 0.5000000 -0.0000000), wk = 0.0027855 k( 77) = ( 0.2978723 0.5000000 -0.0000000), wk = 0.0027855 k( 78) = ( 0.3085106 0.5000000 0.0000000), wk = 0.0027855 k( 79) = ( 0.3191489 0.5000000 0.0000000), wk = 0.0027855 k( 80) = ( 0.3297872 0.5000000 0.0000000), wk = 0.0027855 k( 81) = ( 0.3404255 0.5000000 0.0000000), wk = 0.0027855 k( 82) = ( 0.3510638 0.5000000 0.0000000), wk = 0.0027855 k( 83) = ( 0.3617021 0.5000000 0.0000000), wk = 0.0027855 k( 84) = ( 0.3723404 0.5000000 0.0000000), wk = 0.0027855 k( 85) = ( 0.3829787 0.5000000 0.0000000), wk = 0.0027855 k( 86) = ( 0.3936170 0.5000000 -0.0000000), wk = 0.0027855 k( 87) = ( 0.4042553 0.5000000 0.0000000), wk = 0.0027855 k( 88) = ( 0.4148936 0.5000000 0.0000000), wk = 0.0027855 k( 89) = ( 0.4255319 0.5000000 0.0000000), wk = 0.0027855 k( 90) = ( 0.4361702 0.5000000 0.0000000), wk = 0.0027855 k( 91) = ( 0.4468085 0.5000000 0.0000000), wk = 0.0027855 k( 92) = ( 0.4574468 0.5000000 0.0000000), wk = 0.0027855 k( 93) = ( 0.4680851 0.5000000 0.0000000), wk = 0.0027855 k( 94) = ( 0.4787234 0.5000000 0.0000000), wk = 0.0027855 k( 95) = ( 0.4893617 0.5000000 0.0000000), wk = 0.0027855 k( 96) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0027855 k( 97) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0027855 k( 98) = ( 0.4924242 0.4924242 0.0000000), wk = 0.0027855 k( 99) = ( 0.4848485 0.4848485 0.0000000), wk = 0.0027855 k( 100) = ( 0.4772727 0.4772727 0.0000000), wk = 0.0027855 k( 101) = ( 0.4696970 0.4696970 0.0000000), wk = 0.0027855 k( 102) = ( 0.4621212 0.4621212 0.0000000), wk = 0.0027855 k( 103) = ( 0.4545455 0.4545455 0.0000000), wk = 0.0027855 k( 104) = ( 0.4469697 0.4469697 0.0000000), wk = 0.0027855 k( 105) = ( 0.4393939 0.4393939 0.0000000), wk = 0.0027855 k( 106) = ( 0.4318182 0.4318182 0.0000000), wk = 0.0027855 k( 107) = ( 0.4242424 0.4242424 0.0000000), wk = 0.0027855 k( 108) = ( 0.4166667 0.4166667 0.0000000), wk = 0.0027855 k( 109) = ( 0.4090909 0.4090909 0.0000000), wk = 0.0027855 k( 110) = ( 0.4015151 0.4015151 0.0000000), wk = 0.0027855 k( 111) = ( 0.3939394 0.3939394 0.0000000), wk = 0.0027855 k( 112) = ( 0.3863636 0.3863636 0.0000000), wk = 0.0027855 k( 113) = ( 0.3787879 0.3787879 0.0000000), wk = 0.0027855 k( 114) = ( 0.3712121 0.3712121 0.0000000), wk = 0.0027855 k( 115) = ( 0.3636364 0.3636364 0.0000000), wk = 0.0027855 k( 116) = ( 0.3560606 0.3560606 0.0000000), wk = 0.0027855 k( 117) = ( 0.3484849 0.3484849 0.0000000), wk = 0.0027855 k( 118) = ( 0.3409091 0.3409091 0.0000000), wk = 0.0027855 k( 119) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0027855 k( 120) = ( 0.3257576 0.3257576 0.0000000), wk = 0.0027855 k( 121) = ( 0.3181818 0.3181818 0.0000000), wk = 0.0027855 k( 122) = ( 0.3106061 0.3106061 0.0000000), wk = 0.0027855 k( 123) = ( 0.3030303 0.3030303 0.0000000), wk = 0.0027855 k( 124) = ( 0.2954545 0.2954545 0.0000000), wk = 0.0027855 k( 125) = ( 0.2878788 0.2878788 0.0000000), wk = 0.0027855 k( 126) = ( 0.2803030 0.2803030 0.0000000), wk = 0.0027855 k( 127) = ( 0.2727273 0.2727273 0.0000000), wk = 0.0027855 k( 128) = ( 0.2651515 0.2651515 0.0000000), wk = 0.0027855 k( 129) = ( 0.2575758 0.2575758 0.0000000), wk = 0.0027855 k( 130) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0027855 k( 131) = ( 0.2424242 0.2424242 0.0000000), wk = 0.0027855 k( 132) = ( 0.2348485 0.2348485 0.0000000), wk = 0.0027855 k( 133) = ( 0.2272727 0.2272727 0.0000000), wk = 0.0027855 k( 134) = ( 0.2196970 0.2196970 0.0000000), wk = 0.0027855 k( 135) = ( 0.2121212 0.2121212 0.0000000), wk = 0.0027855 k( 136) = ( 0.2045454 0.2045454 0.0000000), wk = 0.0027855 k( 137) = ( 0.1969697 0.1969697 0.0000000), wk = 0.0027855 k( 138) = ( 0.1893939 0.1893939 0.0000000), wk = 0.0027855 k( 139) = ( 0.1818182 0.1818182 0.0000000), wk = 0.0027855 k( 140) = ( 0.1742424 0.1742424 0.0000000), wk = 0.0027855 k( 141) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0027855 k( 142) = ( 0.1590909 0.1590909 0.0000000), wk = 0.0027855 k( 143) = ( 0.1515151 0.1515151 0.0000000), wk = 0.0027855 k( 144) = ( 0.1439394 0.1439394 0.0000000), wk = 0.0027855 k( 145) = ( 0.1363636 0.1363636 0.0000000), wk = 0.0027855 k( 146) = ( 0.1287879 0.1287879 0.0000000), wk = 0.0027855 k( 147) = ( 0.1212121 0.1212121 0.0000000), wk = 0.0027855 k( 148) = ( 0.1136364 0.1136364 0.0000000), wk = 0.0027855 k( 149) = ( 0.1060606 0.1060606 0.0000000), wk = 0.0027855 k( 150) = ( 0.0984848 0.0984848 0.0000000), wk = 0.0027855 k( 151) = ( 0.0909091 0.0909091 0.0000000), wk = 0.0027855 k( 152) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0027855 k( 153) = ( 0.0757576 0.0757576 0.0000000), wk = 0.0027855 k( 154) = ( 0.0681818 0.0681818 0.0000000), wk = 0.0027855 k( 155) = ( 0.0606061 0.0606061 0.0000000), wk = 0.0027855 k( 156) = ( 0.0530303 0.0530303 0.0000000), wk = 0.0027855 k( 157) = ( 0.0454546 0.0454546 0.0000000), wk = 0.0027855 k( 158) = ( 0.0378788 0.0378788 0.0000000), wk = 0.0027855 k( 159) = ( 0.0303030 0.0303030 0.0000000), wk = 0.0027855 k( 160) = ( 0.0227273 0.0227273 0.0000000), wk = 0.0027855 k( 161) = ( 0.0151515 0.0151515 0.0000000), wk = 0.0027855 k( 162) = ( 0.0075758 0.0075758 0.0000000), wk = 0.0027855 k( 163) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027855 k( 164) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027855 k( 165) = ( 0.0062500 0.0062500 0.0062500), wk = 0.0027855 k( 166) = ( 0.0125000 0.0125000 0.0125000), wk = 0.0027855 k( 167) = ( 0.0187500 0.0187500 0.0187500), wk = 0.0027855 k( 168) = ( 0.0250000 0.0250000 0.0250000), wk = 0.0027855 k( 169) = ( 0.0312500 0.0312500 0.0312500), wk = 0.0027855 k( 170) = ( 0.0375000 0.0375000 0.0375000), wk = 0.0027855 k( 171) = ( 0.0437500 0.0437500 0.0437500), wk = 0.0027855 k( 172) = ( 0.0500000 0.0500000 0.0500000), wk = 0.0027855 k( 173) = ( 0.0562500 0.0562500 0.0562500), wk = 0.0027855 k( 174) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0027855 k( 175) = ( 0.0687500 0.0687500 0.0687500), wk = 0.0027855 k( 176) = ( 0.0750000 0.0750000 0.0750000), wk = 0.0027855 k( 177) = ( 0.0812500 0.0812500 0.0812500), wk = 0.0027855 k( 178) = ( 0.0875000 0.0875000 0.0875000), wk = 0.0027855 k( 179) = ( 0.0937500 0.0937500 0.0937500), wk = 0.0027855 k( 180) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0027855 k( 181) = ( 0.1062500 0.1062500 0.1062500), wk = 0.0027855 k( 182) = ( 0.1125000 0.1125000 0.1125000), wk = 0.0027855 k( 183) = ( 0.1187500 0.1187500 0.1187500), wk = 0.0027855 k( 184) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0027855 k( 185) = ( 0.1312500 0.1312500 0.1312500), wk = 0.0027855 k( 186) = ( 0.1375000 0.1375000 0.1375000), wk = 0.0027855 k( 187) = ( 0.1437500 0.1437500 0.1437500), wk = 0.0027855 k( 188) = ( 0.1500000 0.1500000 0.1500000), wk = 0.0027855 k( 189) = ( 0.1562500 0.1562500 0.1562500), wk = 0.0027855 k( 190) = ( 0.1625000 0.1625000 0.1625000), wk = 0.0027855 k( 191) = ( 0.1687500 0.1687500 0.1687500), wk = 0.0027855 k( 192) = ( 0.1750000 0.1750000 0.1750000), wk = 0.0027855 k( 193) = ( 0.1812500 0.1812500 0.1812500), wk = 0.0027855 k( 194) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0027855 k( 195) = ( 0.1937500 0.1937500 0.1937500), wk = 0.0027855 k( 196) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0027855 k( 197) = ( 0.2062500 0.2062500 0.2062500), wk = 0.0027855 k( 198) = ( 0.2125000 0.2125000 0.2125000), wk = 0.0027855 k( 199) = ( 0.2187500 0.2187500 0.2187500), wk = 0.0027855 k( 200) = ( 0.2250000 0.2250000 0.2250000), wk = 0.0027855 k( 201) = ( 0.2312500 0.2312500 0.2312500), wk = 0.0027855 k( 202) = ( 0.2375000 0.2375000 0.2375000), wk = 0.0027855 k( 203) = ( 0.2437500 0.2437500 0.2437500), wk = 0.0027855 k( 204) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0027855 k( 205) = ( 0.2562500 0.2562500 0.2562500), wk = 0.0027855 k( 206) = ( 0.2625000 0.2625000 0.2625000), wk = 0.0027855 k( 207) = ( 0.2687500 0.2687500 0.2687500), wk = 0.0027855 k( 208) = ( 0.2750000 0.2750000 0.2750000), wk = 0.0027855 k( 209) = ( 0.2812500 0.2812500 0.2812500), wk = 0.0027855 k( 210) = ( 0.2875000 0.2875000 0.2875000), wk = 0.0027855 k( 211) = ( 0.2937500 0.2937500 0.2937500), wk = 0.0027855 k( 212) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0027855 k( 213) = ( 0.3062500 0.3062500 0.3062500), wk = 0.0027855 k( 214) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0027855 k( 215) = ( 0.3187500 0.3187500 0.3187500), wk = 0.0027855 k( 216) = ( 0.3250000 0.3250000 0.3250000), wk = 0.0027855 k( 217) = ( 0.3312500 0.3312500 0.3312500), wk = 0.0027855 k( 218) = ( 0.3375000 0.3375000 0.3375000), wk = 0.0027855 k( 219) = ( 0.3437500 0.3437500 0.3437500), wk = 0.0027855 k( 220) = ( 0.3500000 0.3500000 0.3500000), wk = 0.0027855 k( 221) = ( 0.3562500 0.3562500 0.3562500), wk = 0.0027855 k( 222) = ( 0.3625000 0.3625000 0.3625000), wk = 0.0027855 k( 223) = ( 0.3687500 0.3687500 0.3687500), wk = 0.0027855 k( 224) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0027855 k( 225) = ( 0.3812500 0.3812500 0.3812500), wk = 0.0027855 k( 226) = ( 0.3875000 0.3875000 0.3875000), wk = 0.0027855 k( 227) = ( 0.3937500 0.3937500 0.3937500), wk = 0.0027855 k( 228) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0027855 k( 229) = ( 0.4062500 0.4062500 0.4062500), wk = 0.0027855 k( 230) = ( 0.4125000 0.4125000 0.4125000), wk = 0.0027855 k( 231) = ( 0.4187500 0.4187500 0.4187500), wk = 0.0027855 k( 232) = ( 0.4250000 0.4250000 0.4250000), wk = 0.0027855 k( 233) = ( 0.4312500 0.4312500 0.4312500), wk = 0.0027855 k( 234) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0027855 k( 235) = ( 0.4437500 0.4437500 0.4437500), wk = 0.0027855 k( 236) = ( 0.4500000 0.4500000 0.4500000), wk = 0.0027855 k( 237) = ( 0.4562500 0.4562500 0.4562500), wk = 0.0027855 k( 238) = ( 0.4625000 0.4625000 0.4625000), wk = 0.0027855 k( 239) = ( 0.4687500 0.4687500 0.4687500), wk = 0.0027855 k( 240) = ( 0.4750000 0.4750000 0.4750000), wk = 0.0027855 k( 241) = ( 0.4812500 0.4812500 0.4812500), wk = 0.0027855 k( 242) = ( 0.4875000 0.4875000 0.4875000), wk = 0.0027855 k( 243) = ( 0.4937500 0.4937500 0.4937500), wk = 0.0027855 k( 244) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027855 k( 245) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027855 k( 246) = ( 0.4924242 0.5000000 0.4924242), wk = 0.0027855 k( 247) = ( 0.4848485 0.5000000 0.4848485), wk = 0.0027855 k( 248) = ( 0.4772727 0.5000000 0.4772727), wk = 0.0027855 k( 249) = ( 0.4696970 0.5000000 0.4696970), wk = 0.0027855 k( 250) = ( 0.4621212 0.5000000 0.4621212), wk = 0.0027855 k( 251) = ( 0.4545455 0.5000000 0.4545455), wk = 0.0027855 k( 252) = ( 0.4469697 0.5000000 0.4469697), wk = 0.0027855 k( 253) = ( 0.4393939 0.5000000 0.4393939), wk = 0.0027855 k( 254) = ( 0.4318182 0.5000000 0.4318182), wk = 0.0027855 k( 255) = ( 0.4242424 0.5000000 0.4242424), wk = 0.0027855 k( 256) = ( 0.4166667 0.5000000 0.4166667), wk = 0.0027855 k( 257) = ( 0.4090909 0.5000000 0.4090909), wk = 0.0027855 k( 258) = ( 0.4015151 0.5000000 0.4015151), wk = 0.0027855 k( 259) = ( 0.3939394 0.5000000 0.3939394), wk = 0.0027855 k( 260) = ( 0.3863636 0.5000000 0.3863636), wk = 0.0027855 k( 261) = ( 0.3787879 0.5000000 0.3787879), wk = 0.0027855 k( 262) = ( 0.3712121 0.5000000 0.3712121), wk = 0.0027855 k( 263) = ( 0.3636364 0.5000000 0.3636364), wk = 0.0027855 k( 264) = ( 0.3560606 0.5000000 0.3560606), wk = 0.0027855 k( 265) = ( 0.3484849 0.5000000 0.3484849), wk = 0.0027855 k( 266) = ( 0.3409091 0.5000000 0.3409091), wk = 0.0027855 k( 267) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0027855 k( 268) = ( 0.3257576 0.5000000 0.3257576), wk = 0.0027855 k( 269) = ( 0.3181818 0.5000000 0.3181818), wk = 0.0027855 k( 270) = ( 0.3106061 0.5000000 0.3106061), wk = 0.0027855 k( 271) = ( 0.3030303 0.5000000 0.3030303), wk = 0.0027855 k( 272) = ( 0.2954545 0.5000000 0.2954545), wk = 0.0027855 k( 273) = ( 0.2878788 0.5000000 0.2878788), wk = 0.0027855 k( 274) = ( 0.2803030 0.5000000 0.2803030), wk = 0.0027855 k( 275) = ( 0.2727273 0.5000000 0.2727273), wk = 0.0027855 k( 276) = ( 0.2651515 0.5000000 0.2651515), wk = 0.0027855 k( 277) = ( 0.2575758 0.5000000 0.2575758), wk = 0.0027855 k( 278) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0027855 k( 279) = ( 0.2424242 0.5000000 0.2424242), wk = 0.0027855 k( 280) = ( 0.2348485 0.5000000 0.2348485), wk = 0.0027855 k( 281) = ( 0.2272727 0.5000000 0.2272727), wk = 0.0027855 k( 282) = ( 0.2196970 0.5000000 0.2196970), wk = 0.0027855 k( 283) = ( 0.2121212 0.5000000 0.2121212), wk = 0.0027855 k( 284) = ( 0.2045454 0.5000000 0.2045454), wk = 0.0027855 k( 285) = ( 0.1969697 0.5000000 0.1969697), wk = 0.0027855 k( 286) = ( 0.1893939 0.5000000 0.1893939), wk = 0.0027855 k( 287) = ( 0.1818182 0.5000000 0.1818182), wk = 0.0027855 k( 288) = ( 0.1742424 0.5000000 0.1742424), wk = 0.0027855 k( 289) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0027855 k( 290) = ( 0.1590909 0.5000000 0.1590909), wk = 0.0027855 k( 291) = ( 0.1515151 0.5000000 0.1515151), wk = 0.0027855 k( 292) = ( 0.1439394 0.5000000 0.1439394), wk = 0.0027855 k( 293) = ( 0.1363636 0.5000000 0.1363636), wk = 0.0027855 k( 294) = ( 0.1287879 0.5000000 0.1287879), wk = 0.0027855 k( 295) = ( 0.1212121 0.5000000 0.1212121), wk = 0.0027855 k( 296) = ( 0.1136364 0.5000000 0.1136364), wk = 0.0027855 k( 297) = ( 0.1060606 0.5000000 0.1060606), wk = 0.0027855 k( 298) = ( 0.0984848 0.5000000 0.0984848), wk = 0.0027855 k( 299) = ( 0.0909091 0.5000000 0.0909091), wk = 0.0027855 k( 300) = ( 0.0833333 0.5000000 0.0833333), wk = 0.0027855 k( 301) = ( 0.0757576 0.5000000 0.0757576), wk = 0.0027855 k( 302) = ( 0.0681818 0.5000000 0.0681818), wk = 0.0027855 k( 303) = ( 0.0606061 0.5000000 0.0606061), wk = 0.0027855 k( 304) = ( 0.0530303 0.5000000 0.0530303), wk = 0.0027855 k( 305) = ( 0.0454546 0.5000000 0.0454546), wk = 0.0027855 k( 306) = ( 0.0378788 0.5000000 0.0378788), wk = 0.0027855 k( 307) = ( 0.0303030 0.5000000 0.0303030), wk = 0.0027855 k( 308) = ( 0.0227273 0.5000000 0.0227273), wk = 0.0027855 k( 309) = ( 0.0151515 0.5000000 0.0151515), wk = 0.0027855 k( 310) = ( 0.0075758 0.5000000 0.0075758), wk = 0.0027855 k( 311) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027855 k( 312) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0027855 k( 313) = ( 0.5000000 0.5000000 0.0106383), wk = 0.0027855 k( 314) = ( 0.5000000 0.5000000 0.0212766), wk = 0.0027855 k( 315) = ( 0.5000000 0.5000000 0.0319149), wk = 0.0027855 k( 316) = ( 0.5000000 0.5000000 0.0425532), wk = 0.0027855 k( 317) = ( 0.5000000 0.5000000 0.0531915), wk = 0.0027855 k( 318) = ( 0.5000000 0.5000000 0.0638298), wk = 0.0027855 k( 319) = ( 0.5000000 0.5000000 0.0744681), wk = 0.0027855 k( 320) = ( 0.5000000 0.5000000 0.0851064), wk = 0.0027855 k( 321) = ( 0.5000000 0.5000000 0.0957447), wk = 0.0027855 k( 322) = ( 0.5000000 0.5000000 0.1063830), wk = 0.0027855 k( 323) = ( 0.5000000 0.5000000 0.1170213), wk = 0.0027855 k( 324) = ( 0.5000000 0.5000000 0.1276596), wk = 0.0027855 k( 325) = ( 0.5000000 0.5000000 0.1382979), wk = 0.0027855 k( 326) = ( 0.5000000 0.5000000 0.1489362), wk = 0.0027855 k( 327) = ( 0.5000000 0.5000000 0.1595745), wk = 0.0027855 k( 328) = ( 0.5000000 0.5000000 0.1702128), wk = 0.0027855 k( 329) = ( 0.5000000 0.5000000 0.1808511), wk = 0.0027855 k( 330) = ( 0.5000000 0.5000000 0.1914894), wk = 0.0027855 k( 331) = ( 0.5000000 0.5000000 0.2021277), wk = 0.0027855 k( 332) = ( 0.5000000 0.5000000 0.2127660), wk = 0.0027855 k( 333) = ( 0.5000000 0.5000000 0.2234043), wk = 0.0027855 k( 334) = ( 0.5000000 0.5000000 0.2340425), wk = 0.0027855 k( 335) = ( 0.5000000 0.5000000 0.2446809), wk = 0.0027855 k( 336) = ( 0.5000000 0.5000000 0.2553191), wk = 0.0027855 k( 337) = ( 0.5000000 0.5000000 0.2659574), wk = 0.0027855 k( 338) = ( 0.5000000 0.5000000 0.2765957), wk = 0.0027855 k( 339) = ( 0.5000000 0.5000000 0.2872340), wk = 0.0027855 k( 340) = ( 0.5000000 0.5000000 0.2978723), wk = 0.0027855 k( 341) = ( 0.5000000 0.5000000 0.3085106), wk = 0.0027855 k( 342) = ( 0.5000000 0.5000000 0.3191489), wk = 0.0027855 k( 343) = ( 0.5000000 0.5000000 0.3297872), wk = 0.0027855 k( 344) = ( 0.5000000 0.5000000 0.3404255), wk = 0.0027855 k( 345) = ( 0.5000000 0.5000000 0.3510638), wk = 0.0027855 k( 346) = ( 0.5000000 0.5000000 0.3617021), wk = 0.0027855 k( 347) = ( 0.5000000 0.5000000 0.3723404), wk = 0.0027855 k( 348) = ( 0.5000000 0.5000000 0.3829787), wk = 0.0027855 k( 349) = ( 0.5000000 0.5000000 0.3936170), wk = 0.0027855 k( 350) = ( 0.5000000 0.5000000 0.4042553), wk = 0.0027855 k( 351) = ( 0.5000000 0.5000000 0.4148936), wk = 0.0027855 k( 352) = ( 0.5000000 0.5000000 0.4255319), wk = 0.0027855 k( 353) = ( 0.5000000 0.5000000 0.4361702), wk = 0.0027855 k( 354) = ( 0.5000000 0.5000000 0.4468085), wk = 0.0027855 k( 355) = ( 0.5000000 0.5000000 0.4574468), wk = 0.0027855 k( 356) = ( 0.5000000 0.5000000 0.4680851), wk = 0.0027855 k( 357) = ( 0.5000000 0.5000000 0.4787234), wk = 0.0027855 k( 358) = ( 0.5000000 0.5000000 0.4893617), wk = 0.0027855 k( 359) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027855 Dense grid: 36377 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 13205 G-vectors FFT dimensions: ( 30, 30, 30) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.04 Mb ( 94, 30) NL pseudopotentials 0.05 Mb ( 47, 68) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1011) G-vector shells 0.00 Mb ( 262) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.17 Mb ( 94, 120) Each subspace H/S matrix 0.01 Mb ( 30, 30) Each matrix 0.06 Mb ( 68, 2, 30) Check: negative/imaginary core charge= -0.000005 0.000000 The potential is recalculated from file : ./ScAg.save/charge-density.dat Starting wfc are 38 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 2.1 secs Computing kpt #: 3 total cpu time spent up to now is 2.2 secs Computing kpt #: 4 total cpu time spent up to now is 2.3 secs Computing kpt #: 5 total cpu time spent up to now is 2.4 secs Computing kpt #: 6 total cpu time spent up to now is 2.5 secs Computing kpt #: 7 total cpu time spent up to now is 2.6 secs Computing kpt #: 8 total cpu time spent up to now is 2.7 secs Computing kpt #: 9 total cpu time spent up to now is 2.8 secs Computing kpt #: 10 total cpu time spent up to now is 2.9 secs Computing kpt #: 11 total cpu time spent up to now is 3.0 secs Computing kpt #: 12 total cpu time spent up to now is 3.1 secs Computing kpt #: 13 total cpu time spent up to now is 3.2 secs Computing kpt #: 14 total cpu time spent up to now is 3.3 secs Computing kpt #: 15 total cpu time spent up to now is 3.4 secs Computing kpt #: 16 total cpu time spent up to now is 3.5 secs Computing kpt #: 17 total cpu time spent up to now is 3.6 secs Computing kpt #: 18 total cpu time spent up to now is 3.7 secs Computing kpt #: 19 total cpu time spent up to now is 3.9 secs Computing kpt #: 20 total cpu time spent up to now is 4.0 secs Computing kpt #: 21 total cpu time spent up to now is 4.1 secs Computing kpt #: 22 total cpu time spent up to now is 4.2 secs Computing kpt #: 23 total cpu time spent up to now is 4.3 secs Computing kpt #: 24 total cpu time spent up to now is 4.4 secs Computing kpt #: 25 total cpu time spent up to now is 4.6 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 5.1 secs Computing kpt #: 30 total cpu time spent up to now is 5.2 secs Computing kpt #: 31 total cpu time spent up to now is 5.3 secs Computing kpt #: 32 total cpu time spent up to now is 5.4 secs Computing kpt #: 33 total cpu time spent up to now is 5.6 secs Computing kpt #: 34 total cpu time spent up to now is 5.7 secs Computing kpt #: 35 total cpu time spent up to now is 5.8 secs Computing kpt #: 36 total cpu time spent up to now is 6.0 secs Computing kpt #: 37 total cpu time spent up to now is 6.1 secs Computing kpt #: 38 total cpu time spent up to now is 6.2 secs Computing kpt #: 39 total cpu time spent up to now is 6.4 secs Computing kpt #: 40 total cpu time spent up to now is 6.5 secs Computing kpt #: 41 total cpu time spent up to now is 6.6 secs Computing kpt #: 42 total cpu time spent up to now is 6.7 secs Computing kpt #: 43 total cpu time spent up to now is 6.9 secs Computing kpt #: 44 total cpu time spent up to now is 7.0 secs Computing kpt #: 45 total cpu time spent up to now is 7.1 secs Computing kpt #: 46 total cpu time spent up to now is 7.2 secs Computing kpt #: 47 total cpu time spent up to now is 7.3 secs Computing kpt #: 48 total cpu time spent up to now is 7.4 secs Computing kpt #: 49 total cpu time spent up to now is 7.5 secs Computing kpt #: 50 total cpu time spent up to now is 7.6 secs Computing kpt #: 51 total cpu time spent up to now is 7.7 secs Computing kpt #: 52 total cpu time spent up to now is 7.8 secs Computing kpt #: 53 total cpu time spent up to now is 7.9 secs Computing kpt #: 54 total cpu time spent up to now is 8.0 secs Computing kpt #: 55 total cpu time spent up to now is 8.1 secs Computing kpt #: 56 total cpu time spent up to now is 8.2 secs Computing kpt #: 57 total cpu time spent up to now is 8.3 secs Computing kpt #: 58 total cpu time spent up to now is 8.4 secs Computing kpt #: 59 total cpu time spent up to now is 8.5 secs Computing kpt #: 60 total cpu time spent up to now is 8.6 secs Computing kpt #: 61 total cpu time spent up to now is 8.7 secs Computing kpt #: 62 total cpu time spent up to now is 8.8 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 9.6 secs Computing kpt #: 70 total cpu time spent up to now is 9.8 secs Computing kpt #: 71 total cpu time spent up to now is 9.9 secs Computing kpt #: 72 total cpu time spent up to now is 10.0 secs Computing kpt #: 73 total cpu time spent up to now is 10.1 secs Computing kpt #: 74 total cpu time spent up to now is 10.3 secs Computing kpt #: 75 total cpu time spent up to now is 10.4 secs Computing kpt #: 76 total cpu time spent up to now is 10.5 secs Computing kpt #: 77 total cpu time spent up to now is 10.6 secs Computing kpt #: 78 total cpu time spent up to now is 10.8 secs Computing kpt #: 79 total cpu time spent up to now is 10.9 secs Computing kpt #: 80 total cpu time spent up to now is 11.0 secs Computing kpt #: 81 total cpu time spent up to now is 11.1 secs Computing kpt #: 82 total cpu time spent up to now is 11.3 secs Computing kpt #: 83 total cpu time spent up to now is 11.4 secs Computing kpt #: 84 total cpu time spent up to now is 11.5 secs Computing kpt #: 85 total cpu time spent up to now is 11.7 secs Computing kpt #: 86 total cpu time spent up to now is 11.8 secs Computing kpt #: 87 total cpu time spent up to now is 11.9 secs Computing kpt #: 88 total cpu time spent up to now is 12.1 secs Computing kpt #: 89 total cpu time spent up to now is 12.2 secs Computing kpt #: 90 total cpu time spent up to now is 12.3 secs Computing kpt #: 91 total cpu time spent up to now is 12.5 secs Computing kpt #: 92 total cpu time spent up to now is 12.6 secs Computing kpt #: 93 total cpu time spent up to now is 12.7 secs Computing kpt #: 94 total cpu time spent up to now is 12.8 secs Computing kpt #: 95 total cpu time spent up to now is 13.0 secs Computing kpt #: 96 total cpu time spent up to now is 13.1 secs Computing kpt #: 97 total cpu time spent up to now is 13.2 secs Computing kpt #: 98 total cpu time spent up to now is 13.3 secs Computing kpt #: 99 total cpu time spent up to now is 13.5 secs Computing kpt #: 100 total cpu time spent up to now is 13.6 secs Computing kpt #: 101 total cpu time spent up to now is 13.7 secs Computing kpt #: 102 total cpu time spent up to now is 13.8 secs Computing kpt #: 103 total cpu time spent up to now is 14.0 secs Computing kpt #: 104 total cpu time spent up to now is 14.1 secs Computing kpt #: 105 total cpu time spent up to now is 14.2 secs Computing kpt #: 106 total cpu time spent up to now is 14.4 secs Computing kpt #: 107 total cpu time spent up to now is 14.5 secs Computing kpt #: 108 total cpu time spent up to now is 14.6 secs Computing kpt #: 109 total cpu time spent up to now is 14.8 secs Computing kpt #: 110 total cpu time spent up to now is 14.9 secs Computing kpt #: 111 total cpu time spent up to now is 15.0 secs Computing kpt #: 112 total cpu time spent up to now is 15.2 secs Computing kpt #: 113 total cpu time spent up to now is 15.3 secs Computing kpt #: 114 total cpu time spent up to now is 15.4 secs Computing kpt #: 115 total cpu time spent up to now is 15.6 secs Computing kpt #: 116 total cpu time spent up to now is 15.7 secs Computing kpt #: 117 total cpu time spent up to now is 15.8 secs Computing kpt #: 118 total cpu time spent up to now is 16.0 secs Computing kpt #: 119 total cpu time spent up to now is 16.1 secs Computing kpt #: 120 total cpu time spent up to now is 16.2 secs Computing kpt #: 121 total cpu time spent up to now is 16.3 secs Computing kpt #: 122 total cpu time spent up to now is 16.5 secs Computing kpt #: 123 total cpu time spent up to now is 16.6 secs Computing kpt #: 124 total cpu time spent up to now is 16.7 secs Computing kpt #: 125 total cpu time spent up to now is 16.8 secs Computing kpt #: 126 total cpu time spent up to now is 17.0 secs Computing kpt #: 127 total cpu time spent up to now is 17.1 secs Computing kpt #: 128 total cpu time spent up to now is 17.2 secs Computing kpt #: 129 total cpu time spent up to now is 17.3 secs Computing kpt #: 130 total cpu time spent up to now is 17.5 secs Computing kpt #: 131 total cpu time spent up to now is 17.6 secs Computing kpt #: 132 total cpu time spent up to now is 17.7 secs Computing kpt #: 133 total cpu time spent up to now is 17.8 secs Computing kpt #: 134 total cpu time spent up to now is 18.0 secs Computing kpt #: 135 total cpu time spent up to now is 18.1 secs Computing kpt #: 136 total cpu time spent up to now is 18.2 secs Computing kpt #: 137 total cpu time spent up to now is 18.3 secs Computing kpt #: 138 total cpu time spent up to now is 18.4 secs Computing kpt #: 139 total cpu time spent up to now is 18.5 secs Computing kpt #: 140 total cpu time spent up to now is 18.7 secs Computing kpt #: 141 total cpu time spent up to now is 18.8 secs Computing kpt #: 142 total cpu time spent up to now is 18.9 secs Computing kpt #: 143 total cpu time spent up to now is 19.0 secs Computing kpt #: 144 total cpu time spent up to now is 19.1 secs Computing kpt #: 145 total cpu time spent up to now is 19.2 secs Computing kpt #: 146 total cpu time spent up to now is 19.3 secs Computing kpt #: 147 total cpu time spent up to now is 19.4 secs Computing kpt #: 148 total cpu time spent up to now is 19.5 secs Computing kpt #: 149 total cpu time spent up to now is 19.6 secs Computing kpt #: 150 total cpu time spent up to now is 19.8 secs Computing kpt #: 151 total cpu time spent up to now is 19.9 secs Computing kpt #: 152 total cpu time spent up to now is 20.0 secs Computing kpt #: 153 total cpu time spent up to now is 20.1 secs Computing kpt #: 154 total cpu time spent up to now is 20.2 secs Computing kpt #: 155 total cpu time spent up to now is 20.3 secs Computing kpt #: 156 total cpu time spent up to now is 20.4 secs Computing kpt #: 157 total cpu time spent up to now is 20.5 secs Computing kpt #: 158 total cpu time spent up to now is 20.6 secs Computing kpt #: 159 total cpu time spent up to now is 20.7 secs Computing kpt #: 160 total cpu time spent up to now is 20.8 secs Computing kpt #: 161 total cpu time spent up to now is 20.9 secs Computing kpt #: 162 total cpu time spent up to now is 21.0 secs Computing kpt #: 163 total cpu time spent up to now is 21.1 secs Computing kpt #: 164 total cpu time spent up to now is 21.1 secs Computing kpt #: 165 total cpu time spent up to now is 21.2 secs Computing kpt #: 166 total cpu time spent up to now is 21.3 secs Computing kpt #: 167 total cpu time spent up to now is 21.4 secs Computing kpt #: 168 total cpu time spent up to now is 21.5 secs Computing kpt #: 169 total cpu time spent up to now is 21.6 secs Computing kpt #: 170 total cpu time spent up to now is 21.7 secs Computing kpt #: 171 total cpu time spent up to now is 21.9 secs Computing kpt #: 172 total cpu time spent up to now is 22.0 secs Computing kpt #: 173 total cpu time spent up to now is 22.1 secs Computing kpt #: 174 total cpu time spent up to now is 22.2 secs Computing kpt #: 175 total cpu time spent up to now is 22.3 secs Computing kpt #: 176 total cpu time spent up to now is 22.4 secs Computing kpt #: 177 total cpu time spent up to now is 22.5 secs Computing kpt #: 178 total cpu time spent up to now is 22.6 secs Computing kpt #: 179 total cpu time spent up to now is 22.7 secs Computing kpt #: 180 total cpu time spent up to now is 22.8 secs Computing kpt #: 181 total cpu time spent up to now is 22.9 secs Computing kpt #: 182 total cpu time spent up to now is 23.1 secs Computing kpt #: 183 total cpu time spent up to now is 23.2 secs Computing kpt #: 184 total cpu time spent up to now is 23.3 secs Computing kpt #: 185 total cpu time spent up to now is 23.4 secs Computing kpt #: 186 total cpu time spent up to now is 23.5 secs Computing kpt #: 187 total cpu time spent up to now is 23.6 secs Computing kpt #: 188 total cpu time spent up to now is 23.7 secs Computing kpt #: 189 total cpu time spent up to now is 23.8 secs Computing kpt #: 190 total cpu time spent up to now is 24.0 secs Computing kpt #: 191 total cpu time spent up to now is 24.1 secs Computing kpt #: 192 total cpu time spent up to now is 24.2 secs Computing kpt #: 193 total cpu time spent up to now is 24.3 secs Computing kpt #: 194 total cpu time spent up to now is 24.4 secs Computing kpt #: 195 total cpu time spent up to now is 24.5 secs Computing kpt #: 196 total cpu time spent up to now is 24.6 secs Computing kpt #: 197 total cpu time spent up to now is 24.8 secs Computing kpt #: 198 total cpu time spent up to now is 24.9 secs Computing kpt #: 199 total cpu time spent up to now is 25.0 secs Computing kpt #: 200 total cpu time spent up to now is 25.1 secs Computing kpt #: 201 total cpu time spent up to now is 25.2 secs Computing kpt #: 202 total cpu time spent up to now is 25.3 secs Computing kpt #: 203 total cpu time spent up to now is 25.4 secs Computing kpt #: 204 total cpu time spent up to now is 25.6 secs Computing kpt #: 205 total cpu time spent up to now is 25.7 secs Computing kpt #: 206 total cpu time spent up to now is 25.8 secs Computing kpt #: 207 total cpu time spent up to now is 25.9 secs Computing kpt #: 208 total cpu time spent up to now is 26.0 secs Computing kpt #: 209 total cpu time spent up to now is 26.2 secs Computing kpt #: 210 total cpu time spent up to now is 26.3 secs Computing kpt #: 211 total cpu time spent up to now is 26.4 secs Computing kpt #: 212 total cpu time spent up to now is 26.5 secs Computing kpt #: 213 total cpu time spent up to now is 26.6 secs Computing kpt #: 214 total cpu time spent up to now is 26.8 secs Computing kpt #: 215 total cpu time spent up to now is 26.9 secs Computing kpt #: 216 total cpu time spent up to now is 27.0 secs Computing kpt #: 217 total cpu time spent up to now is 27.1 secs Computing kpt #: 218 total cpu time spent up to now is 27.2 secs Computing kpt #: 219 total cpu time spent up to now is 27.4 secs Computing kpt #: 220 total cpu time spent up to now is 27.5 secs Computing kpt #: 221 total cpu time spent up to now is 27.6 secs Computing kpt #: 222 total cpu time spent up to now is 27.7 secs Computing kpt #: 223 total cpu time spent up to now is 27.9 secs Computing kpt #: 224 total cpu time spent up to now is 28.0 secs Computing kpt #: 225 total cpu time spent up to now is 28.1 secs Computing kpt #: 226 total cpu time spent up to now is 28.3 secs Computing kpt #: 227 total cpu time spent up to now is 28.4 secs Computing kpt #: 228 total cpu time spent up to now is 28.6 secs Computing kpt #: 229 total cpu time spent up to now is 28.7 secs Computing kpt #: 230 total cpu time spent up to now is 28.8 secs Computing kpt #: 231 total cpu time spent up to now is 29.0 secs Computing kpt #: 232 total cpu time spent up to now is 29.1 secs Computing kpt #: 233 total cpu time spent up to now is 29.3 secs Computing kpt #: 234 total cpu time spent up to now is 29.4 secs Computing kpt #: 235 total cpu time spent up to now is 29.5 secs Computing kpt #: 236 total cpu time spent up to now is 29.6 secs Computing kpt #: 237 total cpu time spent up to now is 29.8 secs Computing kpt #: 238 total cpu time spent up to now is 29.9 secs Computing kpt #: 239 total cpu time spent up to now is 30.0 secs Computing kpt #: 240 total cpu time spent up to now is 30.1 secs Computing kpt #: 241 total cpu time spent up to now is 30.2 secs Computing kpt #: 242 total cpu time spent up to now is 30.3 secs Computing kpt #: 243 total cpu time spent up to now is 30.4 secs Computing kpt #: 244 total cpu time spent up to now is 30.5 secs Computing kpt #: 245 total cpu time spent up to now is 30.6 secs Computing kpt #: 246 total cpu time spent up to now is 30.7 secs Computing kpt #: 247 total cpu time spent up to now is 30.8 secs Computing kpt #: 248 total cpu time spent up to now is 30.9 secs Computing kpt #: 249 total cpu time spent up to now is 31.0 secs Computing kpt #: 250 total cpu time spent up to now is 31.1 secs Computing kpt #: 251 total cpu time spent up to now is 31.3 secs Computing kpt #: 252 total cpu time spent up to now is 31.4 secs Computing kpt #: 253 total cpu time spent up to now is 31.5 secs Computing kpt #: 254 total cpu time spent up to now is 31.6 secs Computing kpt #: 255 total cpu time spent up to now is 31.8 secs Computing kpt #: 256 total cpu time spent up to now is 31.9 secs Computing kpt #: 257 total cpu time spent up to now is 32.0 secs Computing kpt #: 258 total cpu time spent up to now is 32.1 secs Computing kpt #: 259 total cpu time spent up to now is 32.3 secs Computing kpt #: 260 total cpu time spent up to now is 32.4 secs Computing kpt #: 261 total cpu time spent up to now is 32.6 secs Computing kpt #: 262 total cpu time spent up to now is 32.7 secs Computing kpt #: 263 total cpu time spent up to now is 32.9 secs Computing kpt #: 264 total cpu time spent up to now is 33.0 secs Computing kpt #: 265 total cpu time spent up to now is 33.2 secs Computing kpt #: 266 total cpu time spent up to now is 33.3 secs Computing kpt #: 267 total cpu time spent up to now is 33.5 secs Computing kpt #: 268 total cpu time spent up to now is 33.6 secs Computing kpt #: 269 total cpu time spent up to now is 33.8 secs Computing kpt #: 270 total cpu time spent up to now is 33.9 secs Computing kpt #: 271 total cpu time spent up to now is 34.1 secs Computing kpt #: 272 total cpu time spent up to now is 34.2 secs Computing kpt #: 273 total cpu time spent up to now is 34.4 secs Computing kpt #: 274 total cpu time spent up to now is 34.5 secs Computing kpt #: 275 total cpu time spent up to now is 34.7 secs Computing kpt #: 276 total cpu time spent up to now is 34.8 secs Computing kpt #: 277 total cpu time spent up to now is 35.0 secs Computing kpt #: 278 total cpu time spent up to now is 35.1 secs Computing kpt #: 279 total cpu time spent up to now is 35.2 secs Computing kpt #: 280 total cpu time spent up to now is 35.4 secs Computing kpt #: 281 total cpu time spent up to now is 35.5 secs Computing kpt #: 282 total cpu time spent up to now is 35.6 secs Computing kpt #: 283 total cpu time spent up to now is 35.8 secs Computing kpt #: 284 total cpu time spent up to now is 35.9 secs Computing kpt #: 285 total cpu time spent up to now is 36.0 secs Computing kpt #: 286 total cpu time spent up to now is 36.1 secs Computing kpt #: 287 total cpu time spent up to now is 36.3 secs Computing kpt #: 288 total cpu time spent up to now is 36.4 secs Computing kpt #: 289 total cpu time spent up to now is 36.5 secs Computing kpt #: 290 total cpu time spent up to now is 36.6 secs Computing kpt #: 291 total cpu time spent up to now is 36.7 secs Computing kpt #: 292 total cpu time spent up to now is 36.9 secs Computing kpt #: 293 total cpu time spent up to now is 37.0 secs Computing kpt #: 294 total cpu time spent up to now is 37.1 secs Computing kpt #: 295 total cpu time spent up to now is 37.2 secs Computing kpt #: 296 total cpu time spent up to now is 37.3 secs Computing kpt #: 297 total cpu time spent up to now is 37.4 secs Computing kpt #: 298 total cpu time spent up to now is 37.5 secs Computing kpt #: 299 total cpu time spent up to now is 37.6 secs Computing kpt #: 300 total cpu time spent up to now is 37.7 secs Computing kpt #: 301 total cpu time spent up to now is 37.8 secs Computing kpt #: 302 total cpu time spent up to now is 37.9 secs Computing kpt #: 303 total cpu time spent up to now is 38.0 secs Computing kpt #: 304 total cpu time spent up to now is 38.1 secs Computing kpt #: 305 total cpu time spent up to now is 38.2 secs Computing kpt #: 306 total cpu time spent up to now is 38.3 secs Computing kpt #: 307 total cpu time spent up to now is 38.4 secs Computing kpt #: 308 total cpu time spent up to now is 38.5 secs Computing kpt #: 309 total cpu time spent up to now is 38.6 secs Computing kpt #: 310 total cpu time spent up to now is 38.7 secs Computing kpt #: 311 total cpu time spent up to now is 38.8 secs Computing kpt #: 312 total cpu time spent up to now is 38.9 secs Computing kpt #: 313 total cpu time spent up to now is 39.0 secs Computing kpt #: 314 total cpu time spent up to now is 39.2 secs Computing kpt #: 315 total cpu time spent up to now is 39.3 secs Computing kpt #: 316 total cpu time spent up to now is 39.4 secs Computing kpt #: 317 total cpu time spent up to now is 39.5 secs Computing kpt #: 318 total cpu time spent up to now is 39.7 secs Computing kpt #: 319 total cpu time spent up to now is 39.8 secs Computing kpt #: 320 total cpu time spent up to now is 40.0 secs Computing kpt #: 321 total cpu time spent up to now is 40.1 secs Computing kpt #: 322 total cpu time spent up to now is 40.2 secs Computing kpt #: 323 total cpu time spent up to now is 40.4 secs Computing kpt #: 324 total cpu time spent up to now is 40.5 secs Computing kpt #: 325 total cpu time spent up to now is 40.7 secs Computing kpt #: 326 total cpu time spent up to now is 40.8 secs Computing kpt #: 327 total cpu time spent up to now is 41.0 secs Computing kpt #: 328 total cpu time spent up to now is 41.1 secs Computing kpt #: 329 total cpu time spent up to now is 41.3 secs Computing kpt #: 330 total cpu time spent up to now is 41.4 secs Computing kpt #: 331 total cpu time spent up to now is 41.5 secs Computing kpt #: 332 total cpu time spent up to now is 41.7 secs Computing kpt #: 333 total cpu time spent up to now is 41.8 secs Computing kpt #: 334 total cpu time spent up to now is 42.0 secs Computing kpt #: 335 total cpu time spent up to now is 42.1 secs Computing kpt #: 336 total cpu time spent up to now is 42.2 secs Computing kpt #: 337 total cpu time spent up to now is 42.4 secs Computing kpt #: 338 total cpu time spent up to now is 42.5 secs Computing kpt #: 339 total cpu time spent up to now is 42.7 secs Computing kpt #: 340 total cpu time spent up to now is 42.8 secs Computing kpt #: 341 total cpu time spent up to now is 43.0 secs Computing kpt #: 342 total cpu time spent up to now is 43.1 secs Computing kpt #: 343 total cpu time spent up to now is 43.3 secs Computing kpt #: 344 total cpu time spent up to now is 43.4 secs Computing kpt #: 345 total cpu time spent up to now is 43.5 secs Computing kpt #: 346 total cpu time spent up to now is 43.7 secs Computing kpt #: 347 total cpu time spent up to now is 43.8 secs Computing kpt #: 348 total cpu time spent up to now is 43.9 secs Computing kpt #: 349 total cpu time spent up to now is 44.0 secs Computing kpt #: 350 total cpu time spent up to now is 44.1 secs Computing kpt #: 351 total cpu time spent up to now is 44.2 secs Computing kpt #: 352 total cpu time spent up to now is 44.4 secs Computing kpt #: 353 total cpu time spent up to now is 44.5 secs Computing kpt #: 354 total cpu time spent up to now is 44.6 secs Computing kpt #: 355 total cpu time spent up to now is 44.7 secs Computing kpt #: 356 total cpu time spent up to now is 44.8 secs Computing kpt #: 357 total cpu time spent up to now is 45.0 secs Computing kpt #: 358 total cpu time spent up to now is 45.1 secs Computing kpt #: 359 total cpu time spent up to now is 45.2 secs ethr = 4.55E-08, avg # of iterations = 13.2 total cpu time spent up to now is 45.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1647 PWs) bands (ev): -38.3258 -38.3258 -17.2107 -17.2107 -16.6997 -16.6997 -16.6997 -16.6997 4.9156 4.9156 5.9703 5.9703 5.9703 5.9703 7.0018 7.0018 7.0018 7.0018 7.2816 7.2816 12.3143 12.3143 12.3143 12.3143 14.4166 14.4166 14.4166 14.4166 14.4566 14.4566 k = 0.0000 0.0106-0.0000 ( 1647 PWs) bands (ev): -38.3258 -38.3258 -17.2108 -17.2108 -16.6998 -16.6998 -16.6997 -16.6997 4.9173 4.9173 5.9706 5.9706 5.9710 5.9710 7.0016 7.0016 7.0019 7.0019 7.2815 7.2815 12.3139 12.3139 12.3143 12.3143 14.4136 14.4136 14.4155 14.4155 14.4546 14.4546 k = 0.0000 0.0213-0.0000 ( 1655 PWs) bands (ev): -38.3258 -38.3258 -17.2110 -17.2110 -16.7002 -16.7002 -16.6997 -16.6997 4.9225 4.9225 5.9715 5.9715 5.9728 5.9728 7.0010 7.0010 7.0019 7.0019 7.2811 7.2811 12.3125 12.3125 12.3140 12.3140 14.4047 14.4047 14.4117 14.4117 14.4493 14.4493 k = 0.0000 0.0319-0.0000 ( 1667 PWs) bands (ev): -38.3257 -38.3257 -17.2113 -17.2113 -16.7009 -16.7009 -16.6997 -16.6997 4.9312 4.9312 5.9730 5.9730 5.9761 5.9761 6.9996 6.9996 7.0018 7.0018 7.2801 7.2801 12.3101 12.3101 12.3139 12.3139 14.3900 14.3900 14.4036 14.4036 14.4422 14.4422 k = 0.0000 0.0426-0.0000 ( 1667 PWs) bands (ev): -38.3256 -38.3256 -17.2116 -17.2116 -16.7016 -16.7016 -16.6996 -16.6996 4.9434 4.9434 5.9751 5.9751 5.9808 5.9808 6.9983 6.9983 7.0020 7.0020 7.2792 7.2792 12.3070 12.3070 12.3137 12.3137 14.3698 14.3698 14.3895 14.3895 14.4354 14.4354 k = 0.0000 0.0532-0.0000 ( 1671 PWs) bands (ev): -38.3255 -38.3255 -17.2120 -17.2120 -16.7026 -16.7026 -16.6996 -16.6996 4.9589 4.9589 5.9778 5.9778 5.9871 5.9871 6.9965 6.9965 7.0020 7.0020 7.2779 7.2779 12.3028 12.3028 12.3134 12.3134 14.3444 14.3444 14.3687 14.3687 14.4300 14.4300 k = 0.0000 0.0638-0.0000 ( 1663 PWs) bands (ev): -38.3254 -38.3254 -17.2124 -17.2124 -16.7036 -16.7036 -16.6994 -16.6994 4.9779 4.9779 5.9811 5.9811 5.9947 5.9947 6.9946 6.9946 7.0023 7.0023 7.2767 7.2767 12.2978 12.2978 12.3127 12.3127 14.3144 14.3144 14.3419 14.3419 14.4254 14.4254 k = 0.0000 0.0745-0.0000 ( 1663 PWs) bands (ev): -38.3252 -38.3252 -17.2130 -17.2130 -16.7050 -16.7050 -16.6993 -16.6993 5.0002 5.0002 5.9850 5.9850 6.0034 6.0034 6.9923 6.9923 7.0026 7.0026 7.2752 7.2752 12.2920 12.2920 12.3115 12.3115 14.2800 14.2800 14.3103 14.3103 14.4211 14.4211 k = 0.0000 0.0851-0.0000 ( 1675 PWs) bands (ev): -38.3250 -38.3250 -17.2137 -17.2137 -16.7066 -16.7066 -16.6992 -16.6992 5.0259 5.0259 5.9893 5.9893 6.0133 6.0133 6.9896 6.9896 7.0026 7.0026 7.2734 7.2734 12.2850 12.2850 12.3094 12.3094 14.2418 14.2418 14.2744 14.2744 14.4168 14.4168 k = 0.0000 0.0957-0.0000 ( 1667 PWs) bands (ev): -38.3248 -38.3248 -17.2145 -17.2145 -16.7082 -16.7082 -16.6990 -16.6990 5.0548 5.0548 5.9945 5.9945 6.0247 6.0247 6.9869 6.9869 7.0029 7.0029 7.2717 7.2717 12.2775 12.2775 12.3065 12.3065 14.2003 14.2003 14.2350 14.2350 14.4124 14.4124 k = 0.0000 0.1064-0.0000 ( 1667 PWs) bands (ev): -38.3246 -38.3246 -17.2153 -17.2153 -16.7101 -16.7101 -16.6988 -16.6988 5.0869 5.0869 5.9999 5.9999 6.0373 6.0373 6.9838 6.9838 7.0031 7.0031 7.2698 7.2698 12.2693 12.2693 12.3024 12.3024 14.1559 14.1559 14.1926 14.1926 14.4076 14.4076 k = 0.0000 0.1170-0.0000 ( 1667 PWs) bands (ev): -38.3243 -38.3243 -17.2162 -17.2162 -16.7121 -16.7121 -16.6985 -16.6985 5.1221 5.1221 6.0059 6.0059 6.0512 6.0512 6.9805 6.9805 7.0033 7.0033 7.2678 7.2678 12.2602 12.2602 12.2967 12.2967 14.1091 14.1091 14.1477 14.1477 14.4026 14.4026 k = 0.0000 0.1277-0.0000 ( 1667 PWs) bands (ev): -38.3240 -38.3240 -17.2172 -17.2172 -16.7143 -16.7143 -16.6983 -16.6983 5.1602 5.1602 6.0124 6.0124 6.0665 6.0665 6.9771 6.9771 7.0034 7.0034 7.2659 7.2659 12.2505 12.2505 12.2892 12.2892 14.0604 14.0604 14.1008 14.1008 14.3973 14.3973 k = 0.0000 0.1383-0.0000 ( 1667 PWs) bands (ev): -38.3238 -38.3238 -17.2183 -17.2183 -16.7166 -16.7166 -16.6980 -16.6980 5.2013 5.2013 6.0192 6.0192 6.0831 6.0831 6.9736 6.9736 7.0034 7.0034 7.2639 7.2639 12.2400 12.2400 12.2793 12.2793 14.0102 14.0102 14.0521 14.0521 14.3917 14.3917 k = 0.0000 0.1489-0.0000 ( 1663 PWs) bands (ev): -38.3234 -38.3234 -17.2194 -17.2194 -16.7190 -16.7190 -16.6978 -16.6978 5.2451 5.2451 6.0265 6.0265 6.1011 6.1011 6.9701 6.9701 7.0033 7.0033 7.2620 7.2620 12.2289 12.2289 12.2668 12.2668 13.9589 13.9589 14.0022 14.0022 14.3858 14.3858 k = 0.0000 0.1596-0.0000 ( 1671 PWs) bands (ev): -38.3231 -38.3231 -17.2207 -17.2207 -16.7215 -16.7215 -16.6975 -16.6975 5.2915 5.2915 6.0341 6.0341 6.1205 6.1205 6.9664 6.9664 7.0030 7.0030 7.2601 7.2601 12.2169 12.2169 12.2509 12.2509 13.9067 13.9067 13.9514 13.9514 14.3796 14.3796 k = 0.0000 0.1702-0.0000 ( 1667 PWs) bands (ev): -38.3228 -38.3228 -17.2220 -17.2220 -16.7241 -16.7241 -16.6972 -16.6972 5.3402 5.3402 6.0424 6.0424 6.1415 6.1415 6.9629 6.9629 7.0026 7.0026 7.2584 7.2584 12.2047 12.2047 12.2314 12.2314 13.8541 13.8541 13.9000 13.9000 14.3732 14.3732 k = 0.0000 0.1809-0.0000 ( 1667 PWs) bands (ev): -38.3224 -38.3224 -17.2233 -17.2233 -16.7268 -16.7268 -16.6969 -16.6969 5.3911 5.3911 6.0507 6.0507 6.1641 6.1641 6.9594 6.9594 7.0019 7.0019 7.2568 7.2568 12.1919 12.1919 12.2075 12.2075 13.8013 13.8013 13.8483 13.8483 14.3666 14.3666 k = 0.0000 0.1915-0.0000 ( 1663 PWs) bands (ev): -38.3221 -38.3221 -17.2247 -17.2247 -16.7295 -16.7295 -16.6966 -16.6966 5.4438 5.4438 6.0593 6.0593 6.1888 6.1888 6.9563 6.9563 7.0011 7.0011 7.2554 7.2554 12.1786 12.1786 12.1789 12.1789 13.7485 13.7485 13.7965 13.7965 14.3597 14.3597 k = 0.0000 0.2021-0.0000 ( 1671 PWs) bands (ev): -38.3217 -38.3217 -17.2263 -17.2263 -16.7324 -16.7324 -16.6963 -16.6963 5.4978 5.4978 6.0682 6.0682 6.2150 6.2150 6.9532 6.9532 7.0000 7.0000 7.2540 7.2540 12.1447 12.1447 12.1649 12.1649 13.6961 13.6961 13.7450 13.7450 14.3527 14.3527 k = 0.0000 0.2128-0.0000 ( 1667 PWs) bands (ev): -38.3213 -38.3213 -17.2278 -17.2278 -16.7352 -16.7352 -16.6959 -16.6959 5.5529 5.5529 6.0773 6.0773 6.2434 6.2434 6.9509 6.9509 6.9988 6.9988 7.2531 7.2531 12.1046 12.1046 12.1510 12.1510 13.6442 13.6442 13.6939 13.6939 14.3455 14.3455 k = 0.0000 0.2234-0.0000 ( 1667 PWs) bands (ev): -38.3209 -38.3209 -17.2294 -17.2294 -16.7380 -16.7380 -16.6956 -16.6956 5.6085 5.6085 6.0866 6.0866 6.2743 6.2743 6.9490 6.9490 6.9974 6.9974 7.2523 7.2523 12.0581 12.0581 12.1366 12.1366 13.5931 13.5931 13.6433 13.6433 14.3382 14.3382 k = 0.0000 0.2340-0.0000 ( 1667 PWs) bands (ev): -38.3205 -38.3205 -17.2310 -17.2310 -16.7409 -16.7409 -16.6953 -16.6953 5.6640 5.6640 6.0959 6.0959 6.3079 6.3079 6.9480 6.9480 6.9957 6.9957 7.2518 7.2518 12.0046 12.0046 12.1221 12.1221 13.5428 13.5428 13.5936 13.5936 14.3308 14.3308 k = 0.0000 0.2447-0.0000 ( 1671 PWs) bands (ev): -38.3201 -38.3201 -17.2327 -17.2327 -16.7437 -16.7437 -16.6949 -16.6949 5.7188 5.7188 6.1054 6.1054 6.3443 6.3443 6.9480 6.9480 6.9938 6.9938 7.2515 7.2515 11.9438 11.9438 12.1073 12.1073 13.4936 13.4936 13.5449 13.5449 14.3234 14.3234 k = 0.0000 0.2553-0.0000 ( 1671 PWs) bands (ev): -38.3197 -38.3197 -17.2344 -17.2344 -16.7465 -16.7465 -16.6946 -16.6946 5.7721 5.7721 6.1149 6.1149 6.3842 6.3842 6.9495 6.9495 6.9918 6.9918 7.2515 7.2515 11.8755 11.8755 12.0925 12.0925 13.4456 13.4456 13.4973 13.4973 14.3159 14.3159 k = 0.0000 0.2660-0.0000 ( 1659 PWs) bands (ev): -38.3193 -38.3193 -17.2360 -17.2360 -16.7492 -16.7492 -16.6942 -16.6942 5.8232 5.8232 6.1245 6.1245 6.4275 6.4275 6.9532 6.9532 6.9897 6.9897 7.2519 7.2519 11.8000 11.8000 12.0776 12.0776 13.3990 13.3990 13.4510 13.4510 14.3085 14.3085 k = 0.0000 0.2766-0.0000 ( 1659 PWs) bands (ev): -38.3190 -38.3190 -17.2377 -17.2377 -16.7520 -16.7520 -16.6939 -16.6939 5.8716 5.8716 6.1339 6.1339 6.4738 6.4738 6.9595 6.9595 6.9873 6.9873 7.2523 7.2523 11.7166 11.7166 12.0627 12.0627 13.3537 13.3537 13.4060 13.4060 14.3011 14.3011 k = 0.0000 0.2872-0.0000 ( 1659 PWs) bands (ev): -38.3186 -38.3186 -17.2395 -17.2395 -16.7547 -16.7547 -16.6935 -16.6935 5.9167 5.9167 6.1432 6.1432 6.5222 6.5222 6.9697 6.9697 6.9848 6.9848 7.2531 7.2531 11.6257 11.6257 12.0479 12.0479 13.3100 13.3100 13.3625 13.3625 14.2938 14.2938 k = 0.0000 0.2979-0.0000 ( 1667 PWs) bands (ev): -38.3182 -38.3182 -17.2412 -17.2412 -16.7573 -16.7573 -16.6933 -16.6933 5.9582 5.9582 6.1523 6.1523 6.5715 6.5715 6.9821 6.9821 6.9855 6.9855 7.2538 7.2538 11.5278 11.5278 12.0331 12.0331 13.2679 13.2679 13.3206 13.3206 14.2866 14.2866 k = 0.0000 0.3085-0.0000 ( 1659 PWs) bands (ev): -38.3178 -38.3178 -17.2429 -17.2429 -16.7598 -16.7598 -16.6929 -16.6929 5.9960 5.9960 6.1614 6.1614 6.6193 6.6193 6.9795 6.9795 7.0092 7.0092 7.2551 7.2551 11.4232 11.4232 12.0187 12.0187 13.2275 13.2275 13.2803 13.2803 14.2796 14.2796 k = 0.0000 0.3191-0.0000 ( 1663 PWs) bands (ev): -38.3174 -38.3174 -17.2446 -17.2446 -16.7623 -16.7623 -16.6926 -16.6926 6.0301 6.0301 6.1702 6.1702 6.6627 6.6627 6.9768 6.9768 7.0434 7.0434 7.2564 7.2564 11.3124 11.3124 12.0046 12.0046 13.1889 13.1889 13.2419 13.2419 14.2727 14.2727 k = 0.0000 0.3298-0.0000 ( 1662 PWs) bands (ev): -38.3171 -38.3171 -17.2463 -17.2463 -16.7646 -16.7646 -16.6923 -16.6923 6.0608 6.0608 6.1787 6.1787 6.6994 6.6994 6.9741 6.9741 7.0902 7.0902 7.2578 7.2578 11.1961 11.1961 11.9909 11.9909 13.1522 13.1522 13.2053 13.2053 14.2660 14.2660 k = 0.0000 0.3404-0.0000 ( 1662 PWs) bands (ev): -38.3168 -38.3168 -17.2479 -17.2479 -16.7668 -16.7668 -16.6920 -16.6920 6.0883 6.0883 6.1869 6.1869 6.7282 6.7282 6.9714 6.9714 7.1504 7.1504 7.2592 7.2592 11.0749 11.0749 11.9775 11.9775 13.1174 13.1174 13.1706 13.1706 14.2596 14.2596 k = 0.0000 0.3511-0.0000 ( 1666 PWs) bands (ev): -38.3164 -38.3164 -17.2495 -17.2495 -16.7690 -16.7690 -16.6917 -16.6917 6.1128 6.1128 6.1948 6.1948 6.7496 6.7496 6.9686 6.9686 7.2230 7.2230 7.2607 7.2607 10.9495 10.9495 11.9647 11.9647 13.0846 13.0846 13.1378 13.1378 14.2534 14.2534 k = 0.0000 0.3617-0.0000 ( 1654 PWs) bands (ev): -38.3161 -38.3161 -17.2509 -17.2509 -16.7709 -16.7709 -16.6914 -16.6914 6.1347 6.1347 6.2024 6.2024 6.7655 6.7655 6.9664 6.9664 7.2624 7.2624 7.3060 7.3060 10.8206 10.8206 11.9525 11.9525 13.0539 13.0539 13.1071 13.1071 14.2475 14.2475 k = 0.0000 0.3723-0.0000 ( 1654 PWs) bands (ev): -38.3158 -38.3158 -17.2524 -17.2524 -16.7728 -16.7728 -16.6911 -16.6911 6.1542 6.1542 6.2095 6.2095 6.7768 6.7768 6.9639 6.9639 7.2640 7.2640 7.3974 7.3974 10.6887 10.6887 11.9408 11.9408 13.0252 13.0252 13.0785 13.0785 14.2420 14.2420 k = 0.0000 0.3830-0.0000 ( 1646 PWs) bands (ev): -38.3156 -38.3156 -17.2537 -17.2537 -16.7744 -16.7744 -16.6909 -16.6909 6.1717 6.1717 6.2161 6.2161 6.7852 6.7852 6.9617 6.9617 7.2656 7.2656 7.4956 7.4956 10.5546 10.5546 11.9299 11.9299 12.9987 12.9987 13.0521 13.0521 14.2367 14.2367 k = 0.0000 0.3936-0.0000 ( 1654 PWs) bands (ev): -38.3153 -38.3153 -17.2550 -17.2550 -16.7761 -16.7761 -16.6907 -16.6907 6.1868 6.1868 6.2222 6.2222 6.7912 6.7912 6.9594 6.9594 7.2671 7.2671 7.5986 7.5986 10.4189 10.4189 11.9197 11.9197 12.9743 12.9743 13.0277 13.0277 14.2319 14.2319 k = 0.0000 0.4043-0.0000 ( 1654 PWs) bands (ev): -38.3151 -38.3151 -17.2562 -17.2562 -16.7776 -16.7776 -16.6904 -16.6904 6.2001 6.2001 6.2279 6.2279 6.7960 6.7960 6.9573 6.9573 7.2686 7.2686 7.7060 7.7060 10.2824 10.2824 11.9102 11.9102 12.9522 12.9522 13.0056 13.0056 14.2274 14.2274 k = 0.0000 0.4149-0.0000 ( 1654 PWs) bands (ev): -38.3148 -38.3148 -17.2573 -17.2573 -16.7789 -16.7789 -16.6903 -16.6903 6.2118 6.2118 6.2330 6.2330 6.7996 6.7996 6.9555 6.9555 7.2699 7.2699 7.8165 7.8165 10.1460 10.1460 11.9017 11.9017 12.9323 12.9323 12.9858 12.9858 14.2234 14.2234 k = 0.0000 0.4255-0.0000 ( 1654 PWs) bands (ev): -38.3147 -38.3147 -17.2583 -17.2583 -16.7800 -16.7800 -16.6901 -16.6901 6.2218 6.2218 6.2376 6.2376 6.8025 6.8025 6.9538 6.9538 7.2712 7.2712 7.9292 7.9292 10.0104 10.0104 11.8940 11.8940 12.9147 12.9147 12.9682 12.9682 14.2198 14.2198 k = 0.0000 0.4362-0.0000 ( 1662 PWs) bands (ev): -38.3145 -38.3145 -17.2591 -17.2591 -16.7811 -16.7811 -16.6900 -16.6900 6.2303 6.2303 6.2416 6.2416 6.8046 6.8046 6.9522 6.9522 7.2721 7.2721 8.0427 8.0427 9.8769 9.8769 11.8872 11.8872 12.8994 12.8994 12.9529 12.9529 14.2166 14.2166 k = 0.0000 0.4468-0.0000 ( 1654 PWs) bands (ev): -38.3143 -38.3143 -17.2598 -17.2598 -16.7819 -16.7819 -16.6898 -16.6898 6.2374 6.2374 6.2450 6.2450 6.8066 6.8066 6.9511 6.9511 7.2732 7.2732 8.1556 8.1556 9.7471 9.7471 11.8815 11.8815 12.8865 12.8865 12.9399 12.9399 14.2139 14.2139 k = 0.0000 0.4574-0.0000 ( 1654 PWs) bands (ev): -38.3142 -38.3142 -17.2604 -17.2604 -16.7826 -16.7826 -16.6897 -16.6897 6.2431 6.2431 6.2479 6.2479 6.8080 6.8080 6.9501 6.9501 7.2741 7.2741 8.2654 8.2654 9.6234 9.6234 11.8767 11.8767 12.8758 12.8758 12.9293 12.9293 14.2117 14.2117 k = 0.0000 0.4681-0.0000 ( 1654 PWs) bands (ev): -38.3141 -38.3141 -17.2609 -17.2609 -16.7832 -16.7832 -16.6897 -16.6897 6.2475 6.2475 6.2501 6.2501 6.8090 6.8090 6.9493 6.9493 7.2747 7.2747 8.3681 8.3681 9.5098 9.5098 11.8730 11.8730 12.8675 12.8675 12.9210 12.9210 14.2099 14.2099 k = 0.0000 0.4787-0.0000 ( 1654 PWs) bands (ev): -38.3141 -38.3141 -17.2613 -17.2613 -16.7836 -16.7836 -16.6896 -16.6896 6.2506 6.2506 6.2516 6.2516 6.8098 6.8098 6.9487 6.9487 7.2752 7.2752 8.4570 8.4570 9.4131 9.4131 11.8703 11.8703 12.8616 12.8616 12.9151 12.9151 14.2087 14.2087 k = 0.0000 0.4894-0.0000 ( 1654 PWs) bands (ev): -38.3140 -38.3140 -17.2615 -17.2615 -16.7838 -16.7838 -16.6896 -16.6896 6.2524 6.2524 6.2526 6.2526 6.8102 6.8102 6.9483 6.9483 7.2755 7.2755 8.5205 8.5205 9.3449 9.3449 11.8687 11.8687 12.8580 12.8580 12.9115 12.9115 14.2079 14.2079 k = 0.0000 0.5000-0.0000 ( 1654 PWs) bands (ev): -38.3140 -38.3140 -17.2615 -17.2615 -16.7839 -16.7839 -16.6896 -16.6896 6.2529 6.2529 6.2530 6.2530 6.8103 6.8103 6.9482 6.9482 7.2756 7.2756 8.5442 8.5442 9.3196 9.3196 11.8681 11.8681 12.8568 12.8568 12.9103 12.9103 14.2077 14.2077 k = 0.0000 0.5000-0.0000 ( 1654 PWs) bands (ev): -38.3140 -38.3140 -17.2615 -17.2615 -16.7839 -16.7839 -16.6896 -16.6896 6.2529 6.2529 6.2530 6.2530 6.8103 6.8103 6.9482 6.9482 7.2756 7.2756 8.5442 8.5442 9.3196 9.3196 11.8681 11.8681 12.8568 12.8568 12.9103 12.9103 14.2077 14.2077 k = 0.0106 0.5000-0.0000 ( 1654 PWs) bands (ev): -38.3140 -38.3140 -17.2616 -17.2616 -16.7839 -16.7839 -16.6896 -16.6896 6.2528 6.2528 6.2538 6.2538 6.8097 6.8097 6.9473 6.9473 7.2748 7.2748 8.5475 8.5475 9.3195 9.3195 11.8695 11.8695 12.8575 12.8575 12.9109 12.9109 14.2075 14.2075 k = 0.0213 0.5000-0.0000 ( 1654 PWs) bands (ev): -38.3140 -38.3140 -17.2616 -17.2616 -16.7840 -16.7840 -16.6898 -16.6898 6.2523 6.2523 6.2563 6.2563 6.8077 6.8077 6.9447 6.9447 7.2725 7.2725 8.5571 8.5571 9.3194 9.3194 11.8735 11.8735 12.8592 12.8592 12.9127 12.9127 14.2069 14.2069 k = 0.0319 0.5000-0.0000 ( 1654 PWs) bands (ev): -38.3139 -38.3139 -17.2617 -17.2617 -16.7841 -16.7841 -16.6902 -16.6902 6.2516 6.2516 6.2604 6.2604 6.8043 6.8043 6.9405 6.9405 7.2688 7.2688 8.5732 8.5732 9.3190 9.3190 11.8802 11.8802 12.8616 12.8616 12.9162 12.9162 14.2059 14.2059 k = 0.0426 0.5000-0.0000 ( 1650 PWs) bands (ev): -38.3138 -38.3138 -17.2619 -17.2619 -16.7842 -16.7842 -16.6906 -16.6906 6.2505 6.2505 6.2661 6.2661 6.7996 6.7996 6.9349 6.9349 7.2636 7.2636 8.5953 8.5953 9.3187 9.3187 11.8897 11.8897 12.8641 12.8641 12.9217 12.9217 14.2045 14.2045 k = 0.0532 0.5000-0.0000 ( 1650 PWs) bands (ev): -38.3137 -38.3137 -17.2621 -17.2621 -16.7844 -16.7844 -16.6912 -16.6912 6.2492 6.2492 6.2730 6.2730 6.7937 6.7937 6.9283 6.9283 7.2571 7.2571 8.6233 8.6233 9.3182 9.3182 11.9016 11.9016 12.8662 12.8662 12.9300 12.9300 14.2027 14.2027 k = 0.0638 0.5000-0.0000 ( 1650 PWs) bands (ev): -38.3136 -38.3136 -17.2623 -17.2623 -16.7846 -16.7846 -16.6919 -16.6919 6.2475 6.2475 6.2810 6.2810 6.7866 6.7866 6.9209 6.9209 7.2494 7.2494 8.6569 8.6569 9.3177 9.3177 11.9161 11.9161 12.8672 12.8672 12.9412 12.9412 14.2006 14.2006 k = 0.0745 0.5000-0.0000 ( 1654 PWs) bands (ev): -38.3134 -38.3134 -17.2626 -17.2626 -16.7849 -16.7849 -16.6928 -16.6928 6.2455 6.2455 6.2898 6.2898 6.7786 6.7786 6.9129 6.9129 7.2404 7.2404 8.6957 8.6957 9.3172 9.3172 11.9330 11.9330 12.8671 12.8671 12.9555 12.9555 14.1981 14.1981 k = 0.0851 0.5000-0.0000 ( 1654 PWs) bands (ev): -38.3133 -38.3133 -17.2629 -17.2629 -16.7853 -16.7853 -16.6937 -16.6937 6.2433 6.2433 6.2991 6.2991 6.7702 6.7702 6.9047 6.9047 7.2306 7.2306 8.7395 8.7395 9.3168 9.3168 11.9523 11.9523 12.8659 12.8659 12.9727 12.9727 14.1953 14.1953 k = 0.0957 0.5000-0.0000 ( 1658 PWs) bands (ev): -38.3131 -38.3131 -17.2633 -17.2633 -16.7857 -16.7857 -16.6947 -16.6947 6.2407 6.2407 6.3084 6.3084 6.7616 6.7616 6.8963 6.8963 7.2198 7.2198 8.7878 8.7878 9.3166 9.3166 11.9739 11.9739 12.8635 12.8635 12.9926 12.9926 14.1921 14.1921 k = 0.1064 0.5000-0.0000 ( 1654 PWs) bands (ev): -38.3128 -38.3128 -17.2637 -17.2637 -16.7862 -16.7862 -16.6958 -16.6958 6.2380 6.2380 6.3172 6.3172 6.7539 6.7539 6.8881 6.8881 7.2082 7.2082 8.8406 8.8406 9.3166 9.3166 11.9978 11.9978 12.8600 12.8600 13.0150 13.0150 14.1886 14.1886 k = 0.1170 0.5000-0.0000 ( 1656 PWs) bands (ev): -38.3126 -38.3126 -17.2642 -17.2642 -16.7867 -16.7867 -16.6969 -16.6969 6.2350 6.2350 6.3244 6.3244 6.7475 6.7475 6.8800 6.8800 7.1960 7.1960 8.8973 8.8973 9.3170 9.3170 12.0237 12.0237 12.8553 12.8553 13.0397 13.0397 14.1849 14.1849 k = 0.1277 0.5000-0.0000 ( 1648 PWs) bands (ev): -38.3123 -38.3123 -17.2647 -17.2647 -16.7872 -16.7872 -16.6981 -16.6981 6.2317 6.2317 6.3299 6.3299 6.7436 6.7436 6.8719 6.8719 7.1835 7.1835 8.9578 8.9578 9.3178 9.3178 12.0515 12.0515 12.8495 12.8495 13.0664 13.0664 14.1809 14.1809 k = 0.1383 0.5000-0.0000 ( 1648 PWs) bands (ev): -38.3121 -38.3121 -17.2652 -17.2652 -16.7879 -16.7879 -16.6993 -16.6993 6.2282 6.2282 6.3325 6.3325 6.7429 6.7429 6.8640 6.8640 7.1704 7.1704 9.0217 9.0217 9.3191 9.3191 12.0812 12.0812 12.8424 12.8424 13.0951 13.0951 14.1767 14.1767 k = 0.1489 0.5000-0.0000 ( 1644 PWs) bands (ev): -38.3118 -38.3118 -17.2658 -17.2658 -16.7886 -16.7886 -16.7005 -16.7005 6.2244 6.2244 6.3319 6.3319 6.7460 6.7460 6.8561 6.8561 7.1572 7.1572 9.0888 9.0888 9.3212 9.3212 12.1124 12.1124 12.8340 12.8340 13.1256 13.1256 14.1722 14.1722 k = 0.1596 0.5000-0.0000 ( 1646 PWs) bands (ev): -38.3115 -38.3115 -17.2664 -17.2664 -16.7895 -16.7895 -16.7018 -16.7018 6.2204 6.2204 6.3276 6.3276 6.7532 6.7532 6.8482 6.8482 7.1438 7.1438 9.1584 9.1584 9.3245 9.3245 12.1451 12.1451 12.8241 12.8241 13.1576 13.1576 14.1676 14.1676 k = 0.1702 0.5000-0.0000 ( 1646 PWs) bands (ev): -38.3112 -38.3112 -17.2671 -17.2671 -16.7904 -16.7904 -16.7030 -16.7030 6.2162 6.2162 6.3197 6.3197 6.7646 6.7646 6.8404 6.8404 7.1307 7.1307 9.2293 9.2293 9.3302 9.3302 12.1792 12.1792 12.8126 12.8126 13.1910 13.1910 14.1628 14.1628 k = 0.1809 0.5000-0.0000 ( 1636 PWs) bands (ev): -38.3108 -38.3108 -17.2678 -17.2678 -16.7913 -16.7913 -16.7042 -16.7042 6.2119 6.2119 6.3086 6.3086 6.7796 6.7796 6.8327 6.8327 7.1183 7.1183 9.2938 9.2938 9.3462 9.3462 12.2144 12.2144 12.7995 12.7995 13.2257 13.2257 14.1579 14.1579 k = 0.1915 0.5000-0.0000 ( 1640 PWs) bands (ev): -38.3105 -38.3105 -17.2686 -17.2686 -16.7924 -16.7924 -16.7054 -16.7054 6.2072 6.2072 6.2943 6.2943 6.7969 6.7969 6.8253 6.8253 7.1066 7.1066 9.3228 9.3228 9.4010 9.4010 12.2504 12.2504 12.7845 12.7845 13.2615 13.2615 14.1528 14.1528 k = 0.2021 0.5000-0.0000 ( 1640 PWs) bands (ev): -38.3102 -38.3102 -17.2694 -17.2694 -16.7936 -16.7936 -16.7065 -16.7065 6.2024 6.2024 6.2778 6.2778 6.8113 6.8113 6.8228 6.8228 7.0968 7.0968 9.3332 9.3332 9.4780 9.4780 12.2872 12.2872 12.7676 12.7676 13.2982 13.2982 14.1477 14.1477 k = 0.2128 0.5000-0.0000 ( 1640 PWs) bands (ev): -38.3098 -38.3098 -17.2702 -17.2702 -16.7948 -16.7948 -16.7076 -16.7076 6.1974 6.1974 6.2595 6.2595 6.8070 6.8070 6.8392 6.8392 7.0894 7.0894 9.3418 9.3418 9.5604 9.5604 12.3244 12.3244 12.7486 12.7486 13.3356 13.3356 14.1425 14.1425 k = 0.2234 0.5000-0.0000 ( 1642 PWs) bands (ev): -38.3094 -38.3094 -17.2711 -17.2711 -16.7961 -16.7961 -16.7087 -16.7087 6.1921 6.1921 6.2400 6.2400 6.7994 6.7994 6.8576 6.8576 7.0859 7.0859 9.3510 9.3510 9.6457 9.6457 12.3619 12.3619 12.7274 12.7274 13.3736 13.3736 14.1372 14.1372 k = 0.2340 0.5000-0.0000 ( 1638 PWs) bands (ev): -38.3091 -38.3091 -17.2719 -17.2719 -16.7975 -16.7975 -16.7096 -16.7096 6.1864 6.1864 6.2200 6.2200 6.7915 6.7915 6.8730 6.8730 7.0879 7.0879 9.3613 9.3613 9.7334 9.7334 12.3993 12.3993 12.7040 12.7040 13.4120 13.4120 14.1320 14.1320 k = 0.2447 0.5000-0.0000 ( 1634 PWs) bands (ev): -38.3087 -38.3087 -17.2728 -17.2728 -16.7989 -16.7989 -16.7105 -16.7105 6.1793 6.1793 6.2007 6.2007 6.7835 6.7835 6.8835 6.8835 7.0968 7.0968 9.3731 9.3731 9.8232 9.8232 12.4365 12.4365 12.6782 12.6782 13.4507 13.4507 14.1267 14.1267 k = 0.2553 0.5000-0.0000 ( 1634 PWs) bands (ev): -38.3083 -38.3083 -17.2738 -17.2738 -16.8004 -16.8004 -16.7114 -16.7114 6.1677 6.1677 6.1854 6.1854 6.7755 6.7755 6.8881 6.8881 7.1129 7.1129 9.3865 9.3865 9.9147 9.9147 12.4729 12.4729 12.6501 12.6501 13.4894 13.4894 14.1215 14.1215 k = 0.2660 0.5000-0.0000 ( 1642 PWs) bands (ev): -38.3080 -38.3080 -17.2748 -17.2748 -16.8020 -16.8020 -16.7122 -16.7122 6.1494 6.1494 6.1764 6.1764 6.7673 6.7673 6.8873 6.8873 7.1352 7.1352 9.4016 9.4016 10.0078 10.0078 12.5081 12.5081 12.6199 12.6199 13.5281 13.5281 14.1164 14.1164 k = 0.2766 0.5000-0.0000 ( 1650 PWs) bands (ev): -38.3076 -38.3076 -17.2758 -17.2758 -16.8036 -16.8036 -16.7129 -16.7129 6.1288 6.1288 6.1699 6.1699 6.7590 6.7590 6.8825 6.8825 7.1622 7.1622 9.4186 9.4186 10.1023 10.1023 12.5401 12.5401 12.5892 12.5892 13.5665 13.5665 14.1113 14.1113 k = 0.2872 0.5000-0.0000 ( 1650 PWs) bands (ev): -38.3073 -38.3073 -17.2768 -17.2768 -16.8052 -16.8052 -16.7135 -16.7135 6.1081 6.1081 6.1642 6.1642 6.7510 6.7510 6.8752 6.8752 7.1926 7.1926 9.4377 9.4377 10.1981 10.1981 12.5425 12.5425 12.5842 12.5842 13.6044 13.6044 14.1064 14.1064 k = 0.2979 0.5000-0.0000 ( 1650 PWs) bands (ev): -38.3069 -38.3069 -17.2777 -17.2777 -16.8068 -16.8068 -16.7140 -16.7140 6.0875 6.0875 6.1588 6.1588 6.7431 6.7431 6.8662 6.8662 7.2250 7.2250 9.4588 9.4588 10.2949 10.2949 12.5078 12.5078 12.6120 12.6120 13.6418 13.6418 14.1015 14.1015 k = 0.3085 0.5000-0.0000 ( 1658 PWs) bands (ev): -38.3066 -38.3066 -17.2788 -17.2788 -16.8084 -16.8084 -16.7145 -16.7145 6.0672 6.0672 6.1534 6.1534 6.7352 6.7352 6.8562 6.8562 7.2582 7.2582 9.4820 9.4820 10.3924 10.3924 12.4676 12.4676 12.6406 12.6406 13.6784 13.6784 14.0969 14.0969 k = 0.3191 0.5000-0.0000 ( 1656 PWs) bands (ev): -38.3062 -38.3062 -17.2797 -17.2797 -16.8100 -16.8100 -16.7149 -16.7149 6.0477 6.0477 6.1484 6.1484 6.7274 6.7274 6.8459 6.8459 7.2919 7.2919 9.5073 9.5073 10.4905 10.4905 12.4248 12.4248 12.6674 12.6674 13.7140 13.7140 14.0923 14.0923 k = 0.3298 0.5000-0.0000 ( 1656 PWs) bands (ev): -38.3059 -38.3059 -17.2807 -17.2807 -16.8116 -16.8116 -16.7153 -16.7153 6.0290 6.0290 6.1435 6.1435 6.7199 6.7199 6.8355 6.8355 7.3252 7.3252 9.5348 9.5348 10.5889 10.5889 12.3796 12.3796 12.6915 12.6915 13.7486 13.7486 14.0880 14.0880 k = 0.3404 0.5000-0.0000 ( 1652 PWs) bands (ev): -38.3056 -38.3056 -17.2816 -17.2816 -16.8131 -16.8131 -16.7156 -16.7156 6.0111 6.0111 6.1388 6.1388 6.7126 6.7126 6.8254 6.8254 7.3577 7.3577 9.5643 9.5643 10.6873 10.6873 12.3325 12.3325 12.7126 12.7126 13.7820 13.7820 14.0838 14.0838 k = 0.3511 0.5000-0.0000 ( 1652 PWs) bands (ev): -38.3053 -38.3053 -17.2826 -17.2826 -16.8146 -16.8146 -16.7158 -16.7158 5.9941 5.9941 6.1343 6.1343 6.7054 6.7054 6.8155 6.8155 7.3891 7.3891 9.5957 9.5957 10.7853 10.7853 12.2838 12.2838 12.7303 12.7303 13.8140 13.8140 14.0799 14.0799 k = 0.3617 0.5000-0.0000 ( 1648 PWs) bands (ev): -38.3050 -38.3050 -17.2834 -17.2834 -16.8160 -16.8160 -16.7160 -16.7160 5.9782 5.9782 6.1300 6.1300 6.6985 6.6985 6.8060 6.8060 7.4192 7.4192 9.6288 9.6288 10.8827 10.8827 12.2339 12.2339 12.7444 12.7444 13.8445 13.8445 14.0762 14.0762 k = 0.3723 0.5000-0.0000 ( 1648 PWs) bands (ev): -38.3047 -38.3047 -17.2843 -17.2843 -16.8173 -16.8173 -16.7162 -16.7162 5.9632 5.9632 6.1259 6.1259 6.6918 6.6918 6.7971 6.7971 7.4477 7.4477 9.6634 9.6634 10.9788 10.9788 12.1831 12.1831 12.7544 12.7544 13.8733 13.8733 14.0727 14.0727 k = 0.3830 0.5000-0.0000 ( 1648 PWs) bands (ev): -38.3045 -38.3045 -17.2851 -17.2851 -16.8186 -16.8186 -16.7163 -16.7163 5.9492 5.9492 6.1220 6.1220 6.6855 6.6855 6.7888 6.7888 7.4743 7.4743 9.6990 9.6990 11.0733 11.0733 12.1322 12.1322 12.7603 12.7603 13.9003 13.9003 14.0695 14.0695 k = 0.3936 0.5000-0.0000 ( 1646 PWs) bands (ev): -38.3042 -38.3042 -17.2859 -17.2859 -16.8198 -16.8198 -16.7164 -16.7164 5.9364 5.9364 6.1185 6.1185 6.6795 6.6795 6.7812 6.7812 7.4989 7.4989 9.7354 9.7354 11.1655 11.1655 12.0816 12.0816 12.7621 12.7621 13.9253 13.9253 14.0665 14.0665 k = 0.4043 0.5000-0.0000 ( 1646 PWs) bands (ev): -38.3040 -38.3040 -17.2866 -17.2866 -16.8209 -16.8209 -16.7165 -16.7165 5.9246 5.9246 6.1151 6.1151 6.6740 6.6740 6.7742 6.7742 7.5214 7.5214 9.7719 9.7719 11.2547 11.2547 12.0321 12.0321 12.7595 12.7595 13.9484 13.9484 14.0639 14.0639 k = 0.4149 0.5000-0.0000 ( 1646 PWs) bands (ev): -38.3038 -38.3038 -17.2872 -17.2872 -16.8219 -16.8219 -16.7166 -16.7166 5.9140 5.9140 6.1120 6.1120 6.6688 6.6688 6.7680 6.7680 7.5417 7.5417 9.8080 9.8080 11.3400 11.3400 11.9847 11.9847 12.7530 12.7530 13.9692 13.9692 14.0615 14.0615 k = 0.4255 0.5000-0.0000 ( 1646 PWs) bands (ev): -38.3036 -38.3036 -17.2878 -17.2878 -16.8228 -16.8228 -16.7167 -16.7167 5.9046 5.9046 6.1093 6.1093 6.6642 6.6642 6.7625 6.7625 7.5597 7.5597 9.8429 9.8429 11.4202 11.4202 11.9403 11.9403 12.7427 12.7427 13.9878 13.9878 14.0595 14.0595 k = 0.4362 0.5000-0.0000 ( 1650 PWs) bands (ev): -38.3035 -38.3035 -17.2883 -17.2883 -16.8235 -16.8235 -16.7168 -16.7168 5.8964 5.8964 6.1067 6.1067 6.6600 6.6600 6.7576 6.7576 7.5753 7.5753 9.8759 9.8759 11.4939 11.4939 11.9002 11.9002 12.7294 12.7294 14.0039 14.0039 14.0578 14.0578 k = 0.4468 0.5000-0.0000 ( 1648 PWs) bands (ev): -38.3033 -38.3033 -17.2888 -17.2888 -16.8242 -16.8242 -16.7168 -16.7168 5.8895 5.8895 6.1047 6.1047 6.6565 6.6565 6.7536 6.7536 7.5886 7.5886 9.9060 9.9060 11.5590 11.5590 11.8662 11.8662 12.7140 12.7140 14.0175 14.0175 14.0567 14.0567 k = 0.4574 0.5000-0.0000 ( 1648 PWs) bands (ev): -38.3032 -38.3032 -17.2892 -17.2892 -16.8248 -16.8248 -16.7168 -16.7168 5.8838 5.8838 6.1030 6.1030 6.6536 6.6536 6.7503 6.7503 7.5995 7.5995 9.9323 9.9323 11.6125 11.6125 11.8404 11.8404 12.6976 12.6976 14.0282 14.0282 14.0561 14.0561 k = 0.4681 0.5000-0.0000 ( 1648 PWs) bands (ev): -38.3031 -38.3031 -17.2894 -17.2894 -16.8252 -16.8252 -16.7168 -16.7168 5.8793 5.8793 6.1016 6.1016 6.6513 6.6513 6.7477 6.7477 7.6080 7.6080 9.9539 9.9539 11.6509 11.6509 11.8256 11.8256 12.6820 12.6820 14.0360 14.0360 14.0564 14.0564 k = 0.4787 0.5000-0.0000 ( 1648 PWs) bands (ev): -38.3031 -38.3031 -17.2897 -17.2897 -16.8255 -16.8255 -16.7168 -16.7168 5.8761 5.8761 6.1007 6.1007 6.6496 6.6496 6.7458 6.7458 7.6141 7.6141 9.9700 9.9700 11.6723 11.6723 11.8224 11.8224 12.6689 12.6689 14.0407 14.0407 14.0574 14.0574 k = 0.4894 0.5000-0.0000 ( 1652 PWs) bands (ev): -38.3030 -38.3030 -17.2898 -17.2898 -16.8257 -16.8257 -16.7169 -16.7169 5.8742 5.8742 6.1001 6.1001 6.6486 6.6486 6.7447 6.7447 7.6176 7.6176 9.9800 9.9800 11.6807 11.6807 11.8257 11.8257 12.6601 12.6601 14.0428 14.0428 14.0587 14.0587 k = 0.5000 0.5000-0.0000 ( 1652 PWs) bands (ev): -38.3030 -38.3030 -17.2899 -17.2899 -16.8258 -16.8258 -16.7169 -16.7169 5.8735 5.8735 6.0999 6.0999 6.6482 6.6482 6.7443 6.7443 7.6188 7.6188 9.9833 9.9833 11.6825 11.6825 11.8278 11.8278 12.6570 12.6570 14.0434 14.0434 14.0592 14.0592 k = 0.5000 0.5000-0.0000 ( 1652 PWs) bands (ev): -38.3030 -38.3030 -17.2899 -17.2899 -16.8258 -16.8258 -16.7169 -16.7169 5.8735 5.8735 6.0999 6.0999 6.6482 6.6482 6.7443 6.7443 7.6188 7.6188 9.9833 9.9833 11.6825 11.6825 11.8278 11.8278 12.6570 12.6570 14.0434 14.0434 14.0592 14.0592 k = 0.4924 0.4924-0.0000 ( 1652 PWs) bands (ev): -38.3030 -38.3030 -17.2898 -17.2898 -16.8257 -16.8257 -16.7169 -16.7169 5.8742 5.8742 6.1001 6.1001 6.6486 6.6486 6.7447 6.7447 7.6176 7.6176 9.9799 9.9799 11.6808 11.6808 11.8254 11.8254 12.6602 12.6602 14.0428 14.0428 14.0587 14.0587 k = 0.4848 0.4848-0.0000 ( 1648 PWs) bands (ev): -38.3031 -38.3031 -17.2897 -17.2897 -16.8255 -16.8255 -16.7168 -16.7168 5.8762 5.8762 6.1007 6.1007 6.6496 6.6496 6.7459 6.7459 7.6140 7.6140 9.9695 9.9695 11.6755 11.6755 11.8192 11.8192 12.6693 12.6693 14.0407 14.0407 14.0574 14.0574 k = 0.4773 0.4773-0.0000 ( 1644 PWs) bands (ev): -38.3031 -38.3031 -17.2894 -17.2894 -16.8252 -16.8252 -16.7168 -16.7168 5.8794 5.8794 6.1017 6.1017 6.6514 6.6514 6.7478 6.7478 7.6080 7.6080 9.9521 9.9521 11.6651 11.6651 11.8116 11.8116 12.6832 12.6832 14.0360 14.0360 14.0563 14.0563 k = 0.4697 0.4697-0.0000 ( 1644 PWs) bands (ev): -38.3032 -38.3032 -17.2891 -17.2891 -16.8247 -16.8247 -16.7168 -16.7168 5.8839 5.8839 6.1030 6.1030 6.6537 6.6537 6.7504 6.7504 7.5995 7.5995 9.9275 9.9275 11.6487 11.6487 11.8057 11.8057 12.7005 12.7005 14.0283 14.0283 14.0560 14.0560 k = 0.4621 0.4621-0.0000 ( 1642 PWs) bands (ev): -38.3033 -38.3033 -17.2887 -17.2887 -16.8241 -16.8241 -16.7168 -16.7168 5.8897 5.8897 6.1048 6.1048 6.6567 6.6567 6.7537 6.7537 7.5887 7.5887 9.8955 9.8955 11.6262 11.6262 11.8035 11.8035 12.7198 12.7198 14.0176 14.0176 14.0565 14.0565 k = 0.4545 0.4545-0.0000 ( 1648 PWs) bands (ev): -38.3035 -38.3035 -17.2883 -17.2883 -16.8235 -16.8235 -16.7168 -16.7168 5.8965 5.8965 6.1068 6.1068 6.6603 6.6603 6.7577 6.7577 7.5756 7.5756 9.8556 9.8556 11.5992 11.5992 11.8054 11.8054 12.7393 12.7393 14.0043 14.0043 14.0576 14.0576 k = 0.4470 0.4470-0.0000 ( 1648 PWs) bands (ev): -38.3036 -38.3036 -17.2877 -17.2877 -16.8227 -16.8227 -16.7167 -16.7167 5.9046 5.9046 6.1091 6.1091 6.6645 6.6645 6.7625 6.7625 7.5604 7.5604 9.8081 9.8081 11.5701 11.5701 11.8109 11.8109 12.7584 12.7584 13.9887 13.9887 14.0592 14.0592 k = 0.4394 0.4394-0.0000 ( 1648 PWs) bands (ev): -38.3038 -38.3038 -17.2871 -17.2871 -16.8217 -16.8217 -16.7167 -16.7167 5.9138 5.9138 6.1117 6.1117 6.6692 6.6692 6.7680 6.7680 7.5431 7.5431 9.7528 9.7528 11.5410 11.5410 11.8194 11.8194 12.7760 12.7760 13.9709 13.9709 14.0612 14.0612 k = 0.4318 0.4318-0.0000 ( 1648 PWs) bands (ev): -38.3040 -38.3040 -17.2864 -17.2864 -16.8206 -16.8206 -16.7167 -16.7167 5.9241 5.9241 6.1146 6.1146 6.6743 6.6743 6.7740 6.7740 7.5241 7.5241 9.6896 9.6896 11.5136 11.5136 11.8301 11.8301 12.7915 12.7915 13.9512 13.9512 14.0635 14.0635 k = 0.4242 0.4242-0.0000 ( 1644 PWs) bands (ev): -38.3043 -38.3043 -17.2856 -17.2856 -16.8194 -16.8194 -16.7166 -16.7166 5.9354 5.9354 6.1177 6.1177 6.6801 6.6801 6.7809 6.7809 7.5031 7.5031 9.6190 9.6190 11.4894 11.4894 11.8426 11.8426 12.8044 12.8044 13.9298 13.9298 14.0661 14.0661 k = 0.4167 0.4167-0.0000 ( 1644 PWs) bands (ev): -38.3045 -38.3045 -17.2847 -17.2847 -16.8181 -16.8181 -16.7166 -16.7166 5.9475 5.9475 6.1210 6.1210 6.6863 6.6863 6.7883 6.7883 7.4805 7.4805 9.5411 9.5411 11.4690 11.4690 11.8565 11.8565 12.8146 12.8146 13.9070 13.9070 14.0691 14.0691 k = 0.4091 0.4091-0.0000 ( 1648 PWs) bands (ev): -38.3048 -38.3048 -17.2838 -17.2838 -16.8168 -16.8168 -16.7165 -16.7165 5.9603 5.9603 6.1244 6.1244 6.6929 6.6929 6.7962 6.7962 7.4563 7.4563 9.4566 9.4566 11.4530 11.4530 11.8715 11.8715 12.8220 12.8220 13.8828 13.8828 14.0724 14.0724 k = 0.4015 0.4015-0.0000 ( 1648 PWs) bands (ev): -38.3051 -38.3051 -17.2827 -17.2827 -16.8152 -16.8152 -16.7164 -16.7164 5.9739 5.9739 6.1280 6.1280 6.6998 6.6998 6.8047 6.8047 7.4308 7.4308 9.3660 9.3660 11.4418 11.4418 11.8874 11.8874 12.8267 12.8267 13.8577 13.8577 14.0759 14.0759 k = 0.3939 0.3939-0.0000 ( 1648 PWs) bands (ev): -38.3054 -38.3054 -17.2816 -17.2816 -16.8136 -16.8136 -16.7163 -16.7163 5.9882 5.9882 6.1317 6.1317 6.7071 6.7071 6.8136 6.8136 7.4041 7.4041 9.2700 9.2700 11.4354 11.4354 11.9040 11.9040 12.8287 12.8287 13.8317 13.8317 14.0798 14.0798 k = 0.3864 0.3864-0.0000 ( 1644 PWs) bands (ev): -38.3057 -38.3057 -17.2805 -17.2805 -16.8118 -16.8118 -16.7162 -16.7162 6.0032 6.0032 6.1357 6.1357 6.7147 6.7147 6.8228 6.8228 7.3765 7.3765 9.1694 9.1694 11.4337 11.4337 11.9209 11.9209 12.8283 12.8283 13.8051 13.8051 14.0840 14.0840 k = 0.3788 0.3788-0.0000 ( 1640 PWs) bands (ev): -38.3061 -38.3061 -17.2792 -17.2792 -16.8099 -16.8099 -16.7161 -16.7161 6.0182 6.0182 6.1396 6.1396 6.7226 6.7226 6.8323 6.8323 7.3480 7.3480 9.0651 9.0651 11.4366 11.4366 11.9382 11.9382 12.8258 12.8258 13.7783 13.7783 14.0885 14.0885 k = 0.3712 0.3712-0.0000 ( 1640 PWs) bands (ev): -38.3065 -38.3065 -17.2779 -17.2779 -16.8080 -16.8080 -16.7160 -16.7160 6.0334 6.0334 6.1437 6.1437 6.7307 6.7307 6.8417 6.8417 7.3190 7.3190 8.9574 8.9574 11.4439 11.4439 11.9556 11.9556 12.8214 12.8214 13.7513 13.7513 14.0933 14.0933 k = 0.3636 0.3636-0.0000 ( 1640 PWs) bands (ev): -38.3069 -38.3069 -17.2765 -17.2765 -16.8059 -16.8059 -16.7159 -16.7159 6.0483 6.0483 6.1479 6.1479 6.7391 6.7391 6.8510 6.8510 7.2896 7.2896 8.8473 8.8473 11.4553 11.4553 11.9730 11.9730 12.8154 12.8154 13.7245 13.7245 14.0983 14.0983 k = 0.3561 0.3561-0.0000 ( 1642 PWs) bands (ev): -38.3073 -38.3073 -17.2751 -17.2751 -16.8038 -16.8038 -16.7157 -16.7157 6.0627 6.0627 6.1525 6.1525 6.7476 6.7476 6.8600 6.8600 7.2602 7.2602 8.7354 8.7354 11.4706 11.4706 11.9902 11.9902 12.8081 12.8081 13.6981 13.6981 14.1037 14.1037 k = 0.3485 0.3485-0.0000 ( 1638 PWs) bands (ev): -38.3077 -38.3077 -17.2736 -17.2736 -16.8015 -16.8015 -16.7156 -16.7156 6.0764 6.0764 6.1578 6.1578 6.7563 6.7563 6.8682 6.8682 7.2313 7.2313 8.6223 8.6223 11.4896 11.4896 12.0073 12.0073 12.8000 12.8000 13.6723 13.6723 14.1093 14.1093 k = 0.3409 0.3409-0.0000 ( 1634 PWs) bands (ev): -38.3081 -38.3081 -17.2721 -17.2721 -16.7991 -16.7991 -16.7154 -16.7154 6.0886 6.0886 6.1638 6.1638 6.7652 6.7652 6.8755 6.8755 7.2031 7.2031 8.5089 8.5089 11.5120 11.5120 12.0239 12.0239 12.7913 12.7913 13.6473 13.6473 14.1153 14.1153 k = 0.3333 0.3333-0.0000 ( 1634 PWs) bands (ev): -38.3086 -38.3086 -17.2705 -17.2705 -16.7967 -16.7967 -16.7152 -16.7152 6.0988 6.0988 6.1710 6.1710 6.7741 6.7741 6.8809 6.8809 7.1762 7.1762 8.3953 8.3953 11.5376 11.5376 12.0402 12.0402 12.7823 12.7823 13.6235 13.6235 14.1215 14.1215 k = 0.3258 0.3258-0.0000 ( 1634 PWs) bands (ev): -38.3091 -38.3091 -17.2688 -17.2688 -16.7942 -16.7942 -16.7150 -16.7150 6.1068 6.1068 6.1794 6.1794 6.7832 6.7832 6.8839 6.8839 7.1513 7.1513 8.2824 8.2824 11.5661 11.5661 12.0560 12.0560 12.7735 12.7735 13.6010 13.6010 14.1280 14.1280 k = 0.3182 0.3182-0.0000 ( 1632 PWs) bands (ev): -38.3095 -38.3095 -17.2672 -17.2672 -16.7917 -16.7917 -16.7147 -16.7147 6.1122 6.1122 6.1891 6.1891 6.7924 6.7924 6.8834 6.8834 7.1295 7.1295 8.1706 8.1706 11.5973 11.5973 12.0713 12.0713 12.7652 12.7652 13.5800 13.5800 14.1347 14.1347 k = 0.3106 0.3106-0.0000 ( 1632 PWs) bands (ev): -38.3100 -38.3100 -17.2654 -17.2654 -16.7890 -16.7890 -16.7145 -16.7145 6.1153 6.1153 6.1996 6.1996 6.8018 6.8018 6.8784 6.8784 7.1116 7.1116 8.0606 8.0606 11.6308 11.6308 12.0860 12.0860 12.7578 12.7578 13.5607 13.5607 14.1417 14.1417 k = 0.3030 0.3030-0.0000 ( 1632 PWs) bands (ev): -38.3105 -38.3105 -17.2637 -17.2637 -16.7863 -16.7863 -16.7142 -16.7142 6.1163 6.1163 6.2103 6.2103 6.8110 6.8110 6.8682 6.8682 7.0984 7.0984 7.9530 7.9530 11.6664 11.6664 12.1002 12.1002 12.7518 12.7518 13.5433 13.5433 14.1490 14.1490 k = 0.2955 0.2955-0.0000 ( 1632 PWs) bands (ev): -38.3110 -38.3110 -17.2619 -17.2619 -16.7836 -16.7836 -16.7140 -16.7140 6.1155 6.1155 6.2207 6.2207 6.8202 6.8202 6.8526 6.8526 7.0898 7.0898 7.8485 7.8485 11.7035 11.7035 12.1137 12.1137 12.7476 12.7476 13.5280 13.5280 14.1565 14.1565 k = 0.2879 0.2879-0.0000 ( 1634 PWs) bands (ev): -38.3116 -38.3116 -17.2601 -17.2601 -16.7808 -16.7808 -16.7137 -16.7137 6.1129 6.1129 6.2303 6.2303 6.8273 6.8273 6.8339 6.8339 7.0853 7.0853 7.7479 7.7479 11.7420 11.7420 12.1265 12.1265 12.7456 12.7456 13.5149 13.5149 14.1643 14.1643 k = 0.2803 0.2803-0.0000 ( 1638 PWs) bands (ev): -38.3121 -38.3121 -17.2583 -17.2583 -16.7779 -16.7779 -16.7134 -16.7134 6.1086 6.1086 6.2388 6.2388 6.8055 6.8055 6.8395 6.8395 7.0838 7.0838 7.6521 7.6521 11.7812 11.7812 12.1388 12.1388 12.7463 12.7463 13.5042 13.5042 14.1723 14.1723 k = 0.2727 0.2727-0.0000 ( 1638 PWs) bands (ev): -38.3126 -38.3126 -17.2564 -17.2564 -16.7750 -16.7750 -16.7130 -16.7130 6.1027 6.1027 6.2457 6.2457 6.7763 6.7763 6.8486 6.8486 7.0841 7.0841 7.5622 7.5622 11.8208 11.8208 12.1505 12.1505 12.7503 12.7503 13.4960 13.4960 14.1805 14.1805 k = 0.2652 0.2652-0.0000 ( 1632 PWs) bands (ev): -38.3132 -38.3132 -17.2545 -17.2545 -16.7721 -16.7721 -16.7127 -16.7127 6.0950 6.0950 6.2508 6.2508 6.7438 6.7438 6.8579 6.8579 7.0850 7.0850 7.4797 7.4797 11.8601 11.8601 12.1615 12.1615 12.7582 12.7582 13.4905 13.4905 14.1889 14.1889 k = 0.2576 0.2576-0.0000 ( 1632 PWs) bands (ev): -38.3137 -38.3137 -17.2526 -17.2526 -16.7691 -16.7691 -16.7123 -16.7123 6.0852 6.0852 6.2538 6.2538 6.7081 6.7081 6.8670 6.8670 7.0850 7.0850 7.4059 7.4059 11.8986 11.8986 12.1720 12.1720 12.7705 12.7705 13.4878 13.4878 14.1975 14.1975 k = 0.2500 0.2500-0.0000 ( 1644 PWs) bands (ev): -38.3142 -38.3142 -17.2508 -17.2508 -16.7662 -16.7662 -16.7119 -16.7119 6.0730 6.0730 6.2543 6.2543 6.6693 6.6693 6.8761 6.8761 7.0827 7.0827 7.3427 7.3427 11.9357 11.9357 12.1817 12.1817 12.7876 12.7876 13.4878 13.4878 14.2062 14.2062 k = 0.2424 0.2424-0.0000 ( 1644 PWs) bands (ev): -38.3148 -38.3148 -17.2489 -17.2489 -16.7632 -16.7632 -16.7115 -16.7115 6.0582 6.0582 6.2525 6.2525 6.6280 6.6280 6.8850 6.8850 7.0766 7.0766 7.2923 7.2923 11.9708 11.9708 12.1911 12.1911 12.8102 12.8102 13.4909 13.4909 14.2152 14.2152 k = 0.2348 0.2348-0.0000 ( 1644 PWs) bands (ev): -38.3153 -38.3153 -17.2470 -17.2470 -16.7602 -16.7602 -16.7111 -16.7111 6.0403 6.0403 6.2482 6.2482 6.5845 6.5845 6.8938 6.8938 7.0655 7.0655 7.2561 7.2561 12.0035 12.0035 12.1999 12.1999 12.8385 12.8385 13.4969 13.4969 14.2242 14.2242 k = 0.2273 0.2273-0.0000 ( 1644 PWs) bands (ev): -38.3159 -38.3159 -17.2452 -17.2452 -16.7572 -16.7572 -16.7107 -16.7107 6.0186 6.0186 6.2415 6.2415 6.5397 6.5397 6.9025 6.9025 7.0496 7.0496 7.2333 7.2333 12.0335 12.0335 12.2083 12.2083 12.8729 12.8729 13.5059 13.5059 14.2334 14.2334 k = 0.2197 0.2197-0.0000 ( 1650 PWs) bands (ev): -38.3164 -38.3164 -17.2433 -17.2433 -16.7542 -16.7542 -16.7102 -16.7102 5.9925 5.9925 6.2324 6.2324 6.4948 6.4948 6.9108 6.9108 7.0314 7.0314 7.2210 7.2210 12.0605 12.0605 12.2161 12.2161 12.9131 12.9131 13.5180 13.5180 14.2427 14.2427 k = 0.2121 0.2121-0.0000 ( 1656 PWs) bands (ev): -38.3169 -38.3169 -17.2415 -17.2415 -16.7512 -16.7512 -16.7098 -16.7098 5.9615 5.9615 6.2213 6.2213 6.4508 6.4508 6.9189 6.9189 7.0137 7.0137 7.2156 7.2156 12.0846 12.0846 12.2235 12.2235 12.9592 12.9592 13.5331 13.5331 14.2520 14.2520 k = 0.2045 0.2045-0.0000 ( 1654 PWs) bands (ev): -38.3175 -38.3175 -17.2396 -17.2396 -16.7483 -16.7483 -16.7093 -16.7093 5.9252 5.9252 6.2089 6.2089 6.4093 6.4093 6.9269 6.9269 6.9983 6.9983 7.2145 7.2145 12.1059 12.1059 12.2306 12.2306 13.0107 13.0107 13.5512 13.5512 14.2614 14.2614 k = 0.1970 0.1970-0.0000 ( 1658 PWs) bands (ev): -38.3180 -38.3180 -17.2378 -17.2378 -16.7453 -16.7453 -16.7089 -16.7089 5.8837 5.8837 6.1954 6.1954 6.3709 6.3709 6.9343 6.9343 6.9857 6.9857 7.2155 7.2155 12.1248 12.1248 12.2372 12.2372 13.0670 13.0670 13.5723 13.5723 14.2708 14.2708 k = 0.1894 0.1894-0.0000 ( 1658 PWs) bands (ev): -38.3185 -38.3185 -17.2361 -17.2361 -16.7424 -16.7424 -16.7084 -16.7084 5.8373 5.8373 6.1813 6.1813 6.3357 6.3357 6.9416 6.9416 6.9761 6.9761 7.2180 7.2180 12.1415 12.1415 12.2434 12.2434 13.1277 13.1277 13.5963 13.5963 14.2802 14.2802 k = 0.1818 0.1818-0.0000 ( 1651 PWs) bands (ev): -38.3190 -38.3190 -17.2343 -17.2343 -16.7395 -16.7395 -16.7079 -16.7079 5.7868 5.7868 6.1671 6.1671 6.3039 6.3039 6.9485 6.9485 6.9693 6.9693 7.2214 7.2214 12.1563 12.1563 12.2493 12.2493 13.1922 13.1922 13.6232 13.6232 14.2896 14.2896 k = 0.1742 0.1742-0.0000 ( 1647 PWs) bands (ev): -38.3195 -38.3195 -17.2325 -17.2325 -16.7367 -16.7367 -16.7073 -16.7073 5.7333 5.7333 6.1530 6.1530 6.2746 6.2746 6.9550 6.9550 6.9648 6.9648 7.2250 7.2250 12.1697 12.1697 12.2549 12.2549 13.2596 13.2596 13.6528 13.6528 14.2990 14.2990 k = 0.1667 0.1667-0.0000 ( 1647 PWs) bands (ev): -38.3200 -38.3200 -17.2308 -17.2308 -16.7339 -16.7339 -16.7068 -16.7068 5.6777 5.6777 6.1392 6.1392 6.2477 6.2477 6.9608 6.9608 6.9624 6.9624 7.2289 7.2289 12.1817 12.1817 12.2602 12.2602 13.3293 13.3293 13.6849 13.6849 14.3082 14.3082 k = 0.1591 0.1591-0.0000 ( 1659 PWs) bands (ev): -38.3205 -38.3205 -17.2293 -17.2293 -16.7313 -16.7313 -16.7064 -16.7064 5.6211 5.6211 6.1252 6.1252 6.2224 6.2224 6.9607 6.9607 6.9667 6.9667 7.2327 7.2327 12.1927 12.1927 12.2651 12.2651 13.4008 13.4008 13.7195 13.7195 14.3173 14.3173 k = 0.1515 0.1515-0.0000 ( 1659 PWs) bands (ev): -38.3209 -38.3209 -17.2277 -17.2277 -16.7286 -16.7286 -16.7059 -16.7059 5.5643 5.5643 6.1122 6.1122 6.1990 6.1990 6.9609 6.9609 6.9718 6.9718 7.2366 7.2366 12.2030 12.2030 12.2698 12.2698 13.4734 13.4734 13.7564 13.7564 14.3263 14.3263 k = 0.1439 0.1439-0.0000 ( 1655 PWs) bands (ev): -38.3214 -38.3214 -17.2261 -17.2261 -16.7260 -16.7260 -16.7054 -16.7054 5.5079 5.5079 6.0996 6.0996 6.1770 6.1770 6.9619 6.9619 6.9765 6.9765 7.2405 7.2405 12.2126 12.2126 12.2742 12.2742 13.5465 13.5465 13.7953 13.7953 14.3352 14.3352 k = 0.1364 0.1364-0.0000 ( 1659 PWs) bands (ev): -38.3218 -38.3218 -17.2247 -17.2247 -16.7236 -16.7236 -16.7049 -16.7049 5.4527 5.4527 6.0875 6.0875 6.1563 6.1563 6.9637 6.9637 6.9806 6.9806 7.2441 7.2441 12.2217 12.2217 12.2782 12.2782 13.6195 13.6195 13.8360 13.8360 14.3438 14.3438 k = 0.1288 0.1288-0.0000 ( 1661 PWs) bands (ev): -38.3222 -38.3222 -17.2233 -17.2233 -16.7212 -16.7212 -16.7044 -16.7044 5.3989 5.3989 6.0758 6.0758 6.1366 6.1366 6.9659 6.9659 6.9843 6.9843 7.2477 7.2477 12.2304 12.2304 12.2821 12.2821 13.6919 13.6919 13.8784 13.8784 14.3522 14.3522 k = 0.1212 0.1212-0.0000 ( 1661 PWs) bands (ev): -38.3226 -38.3226 -17.2219 -17.2219 -16.7189 -16.7189 -16.7040 -16.7040 5.3471 5.3471 6.0647 6.0647 6.1181 6.1181 6.9686 6.9686 6.9876 6.9876 7.2512 7.2512 12.2387 12.2387 12.2858 12.2858 13.7632 13.7632 13.9220 13.9220 14.3603 14.3603 k = 0.1136 0.1136-0.0000 ( 1657 PWs) bands (ev): -38.3230 -38.3230 -17.2206 -17.2206 -16.7167 -16.7167 -16.7035 -16.7035 5.2974 5.2974 6.0541 6.0541 6.1007 6.1007 6.9716 6.9716 6.9904 6.9904 7.2546 7.2546 12.2468 12.2468 12.2892 12.2892 13.8329 13.8329 13.9666 13.9666 14.3682 14.3682 k = 0.1061 0.1061-0.0000 ( 1661 PWs) bands (ev): -38.3233 -38.3233 -17.2194 -17.2194 -16.7146 -16.7146 -16.7031 -16.7031 5.2502 5.2502 6.0438 6.0438 6.0843 6.0843 6.9746 6.9746 6.9928 6.9928 7.2577 7.2577 12.2544 12.2544 12.2924 12.2924 13.9003 13.9003 14.0118 14.0118 14.3757 14.3757 k = 0.0985 0.0985-0.0000 ( 1661 PWs) bands (ev): -38.3237 -38.3237 -17.2183 -17.2183 -16.7127 -16.7127 -16.7027 -16.7027 5.2057 5.2057 6.0343 6.0343 6.0689 6.0689 6.9777 6.9777 6.9948 6.9948 7.2607 7.2607 12.2618 12.2618 12.2953 12.2953 13.9651 13.9651 14.0574 14.0574 14.3828 14.3828 k = 0.0909 0.0909-0.0000 ( 1661 PWs) bands (ev): -38.3240 -38.3240 -17.2172 -17.2172 -16.7109 -16.7109 -16.7023 -16.7023 5.1639 5.1639 6.0253 6.0253 6.0547 6.0547 6.9807 6.9807 6.9964 6.9964 7.2635 7.2635 12.2688 12.2688 12.2980 12.2980 14.0268 14.0268 14.1028 14.1028 14.3897 14.3897 k = 0.0833 0.0833-0.0000 ( 1663 PWs) bands (ev): -38.3243 -38.3243 -17.2162 -17.2162 -16.7092 -16.7092 -16.7019 -16.7019 5.1251 5.1251 6.0168 6.0168 6.0414 6.0414 6.9836 6.9836 6.9978 6.9978 7.2662 7.2662 12.2754 12.2754 12.3005 12.3005 14.0850 14.0850 14.1475 14.1475 14.3961 14.3961 k = 0.0758 0.0758-0.0000 ( 1663 PWs) bands (ev): -38.3245 -38.3245 -17.2153 -17.2153 -16.7076 -16.7076 -16.7016 -16.7016 5.0894 5.0894 6.0091 6.0091 6.0293 6.0293 6.9865 6.9865 6.9988 6.9988 7.2686 7.2686 12.2816 12.2816 12.3028 12.3028 14.1392 14.1392 14.1912 14.1912 14.4022 14.4022 k = 0.0682 0.0682-0.0000 ( 1673 PWs) bands (ev): -38.3248 -38.3248 -17.2145 -17.2145 -16.7062 -16.7062 -16.7013 -16.7013 5.0568 5.0568 6.0017 6.0017 6.0180 6.0180 6.9890 6.9890 6.9995 6.9995 7.2708 7.2708 12.2874 12.2874 12.3049 12.3049 14.1892 14.1892 14.2331 14.2331 14.4079 14.4079 k = 0.0606 0.0606-0.0000 ( 1673 PWs) bands (ev): -38.3250 -38.3250 -17.2138 -17.2138 -16.7049 -16.7049 -16.7010 -16.7010 5.0275 5.0275 5.9953 5.9953 6.0081 6.0081 6.9915 6.9915 7.0000 7.0000 7.2729 7.2729 12.2927 12.2927 12.3067 12.3067 14.2348 14.2348 14.2725 14.2725 14.4132 14.4132 k = 0.0530 0.0530-0.0000 ( 1673 PWs) bands (ev): -38.3252 -38.3252 -17.2131 -17.2131 -16.7037 -16.7037 -16.7008 -16.7008 5.0014 5.0014 5.9895 5.9895 5.9993 5.9993 6.9937 6.9937 7.0005 7.0005 7.2747 7.2747 12.2975 12.2975 12.3083 12.3083 14.2757 14.2757 14.3088 14.3088 14.4183 14.4183 k = 0.0455 0.0455-0.0000 ( 1669 PWs) bands (ev): -38.3254 -38.3254 -17.2125 -17.2125 -16.7027 -16.7027 -16.7005 -16.7005 4.9788 4.9788 5.9845 5.9845 5.9913 5.9913 6.9959 6.9959 7.0009 7.0009 7.2766 7.2766 12.3019 12.3019 12.3098 12.3098 14.3119 14.3119 14.3409 14.3409 14.4233 14.4233 k = 0.0379 0.0379-0.0000 ( 1671 PWs) bands (ev): -38.3255 -38.3255 -17.2120 -17.2120 -16.7019 -16.7019 -16.7003 -16.7003 4.9595 4.9595 5.9801 5.9801 5.9848 5.9848 6.9976 6.9976 7.0011 7.0011 7.2779 7.2779 12.3056 12.3056 12.3110 12.3110 14.3431 14.3431 14.3681 14.3681 14.4285 14.4285 k = 0.0303 0.0303-0.0000 ( 1675 PWs) bands (ev): -38.3256 -38.3256 -17.2116 -17.2116 -16.7012 -16.7012 -16.7001 -16.7001 4.9437 4.9437 5.9765 5.9765 5.9794 5.9794 6.9989 6.9989 7.0012 7.0012 7.2791 7.2791 12.3086 12.3086 12.3120 12.3120 14.3691 14.3691 14.3892 14.3892 14.4346 14.4346 k = 0.0227 0.0227-0.0000 ( 1665 PWs) bands (ev): -38.3257 -38.3257 -17.2112 -17.2112 -16.7006 -16.7006 -16.7000 -16.7000 4.9314 4.9314 5.9738 5.9738 5.9754 5.9754 7.0001 7.0001 7.0014 7.0014 7.2801 7.2801 12.3111 12.3111 12.3130 12.3130 14.3897 14.3897 14.4034 14.4034 14.4418 14.4418 k = 0.0152 0.0152-0.0000 ( 1649 PWs) bands (ev): -38.3258 -38.3258 -17.2109 -17.2109 -16.7001 -16.7001 -16.6998 -16.6998 4.9226 4.9226 5.9719 5.9719 5.9727 5.9727 7.0011 7.0011 7.0018 7.0018 7.2811 7.2811 12.3129 12.3129 12.3139 12.3139 14.4046 14.4046 14.4115 14.4115 14.4492 14.4492 k = 0.0076 0.0076-0.0000 ( 1647 PWs) bands (ev): -38.3258 -38.3258 -17.2108 -17.2108 -16.6998 -16.6998 -16.6998 -16.6998 4.9173 4.9173 5.9707 5.9707 5.9709 5.9709 7.0017 7.0017 7.0018 7.0018 7.2815 7.2815 12.3140 12.3140 12.3142 12.3142 14.4136 14.4136 14.4155 14.4155 14.4546 14.4546 k = 0.0000 0.0000 0.0000 ( 1647 PWs) bands (ev): -38.3258 -38.3258 -17.2107 -17.2107 -16.6997 -16.6997 -16.6997 -16.6997 4.9156 4.9156 5.9703 5.9703 5.9703 5.9703 7.0018 7.0018 7.0018 7.0018 7.2816 7.2816 12.3143 12.3143 12.3143 12.3143 14.4166 14.4166 14.4166 14.4166 14.4566 14.4566 k = 0.0000 0.0000 0.0000 ( 1647 PWs) bands (ev): -38.3258 -38.3258 -17.2107 -17.2107 -16.6997 -16.6997 -16.6997 -16.6997 4.9156 4.9156 5.9703 5.9703 5.9703 5.9703 7.0018 7.0018 7.0018 7.0018 7.2816 7.2816 12.3143 12.3143 12.3143 12.3143 14.4166 14.4166 14.4166 14.4166 14.4566 14.4566 k = 0.0063 0.0062 0.0062 ( 1647 PWs) bands (ev): -38.3258 -38.3258 -17.2108 -17.2108 -16.6998 -16.6998 -16.6998 -16.6998 4.9174 4.9174 5.9708 5.9708 5.9708 5.9708 7.0017 7.0017 7.0018 7.0018 7.2815 7.2815 12.3141 12.3141 12.3141 12.3141 14.4135 14.4135 14.4155 14.4155 14.4546 14.4546 k = 0.0125 0.0125 0.0125 ( 1653 PWs) bands (ev): -38.3258 -38.3258 -17.2110 -17.2110 -16.7000 -16.7000 -16.6999 -16.6999 4.9228 4.9228 5.9722 5.9722 5.9724 5.9724 7.0012 7.0012 7.0015 7.0015 7.2809 7.2809 12.3133 12.3133 12.3134 12.3134 14.4038 14.4038 14.4120 14.4120 14.4489 14.4489 k = 0.0187 0.0187 0.0187 ( 1668 PWs) bands (ev): -38.3257 -38.3257 -17.2113 -17.2113 -16.7004 -16.7004 -16.7002 -16.7002 4.9318 4.9318 5.9744 5.9744 5.9749 5.9749 7.0002 7.0002 7.0012 7.0012 7.2801 7.2801 12.3119 12.3119 12.3120 12.3120 14.3870 14.3870 14.4063 14.4063 14.4404 14.4404 k = 0.0250 0.0250 0.0250 ( 1680 PWs) bands (ev): -38.3256 -38.3256 -17.2117 -17.2117 -16.7008 -16.7008 -16.7006 -16.7006 4.9443 4.9443 5.9777 5.9777 5.9785 5.9785 6.9989 6.9989 7.0009 7.0009 7.2789 7.2789 12.3101 12.3101 12.3103 12.3103 14.3627 14.3627 14.3982 14.3982 14.4297 14.4297 k = 0.0312 0.0312 0.0312 ( 1680 PWs) bands (ev): -38.3255 -38.3255 -17.2121 -17.2121 -16.7013 -16.7013 -16.7010 -16.7010 4.9605 4.9605 5.9819 5.9819 5.9833 5.9833 6.9975 6.9975 7.0007 7.0007 7.2777 7.2777 12.3081 12.3081 12.3084 12.3084 14.3312 14.3312 14.3880 14.3880 14.4170 14.4170 k = 0.0375 0.0375 0.0375 ( 1680 PWs) bands (ev): -38.3254 -38.3254 -17.2126 -17.2126 -16.7019 -16.7019 -16.7015 -16.7015 4.9801 4.9801 5.9871 5.9871 5.9891 5.9891 6.9960 6.9960 7.0003 7.0003 7.2763 7.2763 12.3056 12.3056 12.3060 12.3060 14.2930 14.2930 14.3755 14.3755 14.4023 14.4023 k = 0.0437 0.0437 0.0437 ( 1668 PWs) bands (ev): -38.3252 -38.3252 -17.2131 -17.2131 -16.7025 -16.7025 -16.7021 -16.7021 5.0033 5.0033 5.9935 5.9935 5.9964 5.9964 6.9942 6.9942 6.9999 6.9999 7.2746 7.2746 12.3029 12.3029 12.3034 12.3034 14.2490 14.2490 14.3608 14.3608 14.3856 14.3856 k = 0.0500 0.0500 0.0500 ( 1668 PWs) bands (ev): -38.3250 -38.3250 -17.2138 -17.2138 -16.7033 -16.7033 -16.7027 -16.7027 5.0298 5.0298 6.0005 6.0005 6.0042 6.0042 6.9920 6.9920 6.9992 6.9992 7.2727 7.2727 12.3000 12.3000 12.3006 12.3006 14.1999 14.1999 14.3440 14.3440 14.3666 14.3666 k = 0.0563 0.0562 0.0562 ( 1668 PWs) bands (ev): -38.3248 -38.3248 -17.2145 -17.2145 -16.7042 -16.7042 -16.7035 -16.7035 5.0598 5.0598 6.0083 6.0083 6.0131 6.0131 6.9896 6.9896 6.9984 6.9984 7.2705 7.2705 12.2968 12.2968 12.2976 12.2976 14.1463 14.1463 14.3251 14.3251 14.3456 14.3456 k = 0.0625 0.0625 0.0625 ( 1668 PWs) bands (ev): -38.3245 -38.3245 -17.2154 -17.2154 -16.7052 -16.7052 -16.7043 -16.7043 5.0931 5.0931 6.0169 6.0169 6.0229 6.0229 6.9869 6.9869 6.9973 6.9973 7.2680 7.2680 12.2935 12.2935 12.2944 12.2944 14.0891 14.0891 14.3042 14.3042 14.3225 14.3225 k = 0.0688 0.0688 0.0687 ( 1668 PWs) bands (ev): -38.3242 -38.3242 -17.2163 -17.2163 -16.7063 -16.7063 -16.7052 -16.7052 5.1297 5.1297 6.0264 6.0264 6.0336 6.0336 6.9839 6.9839 6.9960 6.9960 7.2653 7.2653 12.2902 12.2902 12.2912 12.2912 14.0290 14.0290 14.2812 14.2812 14.2973 14.2973 k = 0.0750 0.0750 0.0750 ( 1662 PWs) bands (ev): -38.3239 -38.3239 -17.2173 -17.2173 -16.7074 -16.7074 -16.7062 -16.7062 5.1695 5.1695 6.0369 6.0369 6.0455 6.0455 6.9807 6.9807 6.9945 6.9945 7.2624 7.2624 12.2868 12.2868 12.2880 12.2880 13.9666 13.9666 14.2564 14.2564 14.2701 14.2701 k = 0.0813 0.0812 0.0812 ( 1668 PWs) bands (ev): -38.3236 -38.3236 -17.2184 -17.2184 -16.7087 -16.7087 -16.7073 -16.7073 5.2123 5.2123 6.0478 6.0478 6.0581 6.0581 6.9771 6.9771 6.9924 6.9924 7.2591 7.2591 12.2834 12.2834 12.2847 12.2847 13.9029 13.9029 14.2297 14.2297 14.2411 14.2411 k = 0.0875 0.0875 0.0875 ( 1662 PWs) bands (ev): -38.3232 -38.3232 -17.2196 -17.2196 -16.7100 -16.7100 -16.7084 -16.7084 5.2582 5.2582 6.0594 6.0594 6.0716 6.0716 6.9735 6.9735 6.9902 6.9902 7.2558 7.2558 12.2803 12.2803 12.2817 12.2817 13.8382 13.8382 14.2013 14.2013 14.2102 14.2102 k = 0.0938 0.0937 0.0937 ( 1662 PWs) bands (ev): -38.3229 -38.3229 -17.2208 -17.2208 -16.7114 -16.7114 -16.7097 -16.7097 5.3069 5.3069 6.0717 6.0717 6.0859 6.0859 6.9696 6.9696 6.9876 6.9876 7.2521 7.2521 12.2773 12.2773 12.2788 12.2788 13.7735 13.7735 14.1712 14.1712 14.1776 14.1776 k = 0.1000 0.1000 0.1000 ( 1668 PWs) bands (ev): -38.3225 -38.3225 -17.2221 -17.2221 -16.7129 -16.7129 -16.7110 -16.7110 5.3584 5.3584 6.0845 6.0845 6.1010 6.1010 6.9655 6.9655 6.9844 6.9844 7.2481 7.2481 12.2746 12.2746 12.2761 12.2761 13.7092 13.7092 14.1395 14.1395 14.1435 14.1435 k = 0.1062 0.1062 0.1062 ( 1668 PWs) bands (ev): -38.3221 -38.3221 -17.2235 -17.2235 -16.7145 -16.7145 -16.7124 -16.7124 5.4125 5.4125 6.0979 6.0979 6.1169 6.1169 6.9613 6.9613 6.9810 6.9810 7.2439 7.2439 12.2722 12.2722 12.2737 12.2737 13.6459 13.6459 14.1063 14.1063 14.1078 14.1078 k = 0.1125 0.1125 0.1125 ( 1662 PWs) bands (ev): -38.3216 -38.3216 -17.2249 -17.2249 -16.7161 -16.7161 -16.7138 -16.7138 5.4690 5.4690 6.1120 6.1120 6.1337 6.1337 6.9569 6.9569 6.9773 6.9773 7.2397 7.2397 12.2702 12.2702 12.2716 12.2716 13.5842 13.5842 14.0709 14.0709 14.0718 14.0718 k = 0.1187 0.1187 0.1187 ( 1662 PWs) bands (ev): -38.3212 -38.3212 -17.2264 -17.2264 -16.7178 -16.7178 -16.7153 -16.7153 5.5278 5.5278 6.1263 6.1263 6.1512 6.1512 6.9525 6.9525 6.9732 6.9732 7.2352 7.2352 12.2687 12.2687 12.2699 12.2699 13.5247 13.5247 14.0327 14.0327 14.0361 14.0361 k = 0.1250 0.1250 0.1250 ( 1659 PWs) bands (ev): -38.3207 -38.3207 -17.2279 -17.2279 -16.7195 -16.7195 -16.7168 -16.7168 5.5885 5.5885 6.1410 6.1410 6.1695 6.1695 6.9479 6.9479 6.9688 6.9688 7.2306 7.2306 12.2676 12.2676 12.2685 12.2685 13.4677 13.4677 13.9935 13.9935 13.9992 13.9992 k = 0.1313 0.1313 0.1312 ( 1662 PWs) bands (ev): -38.3202 -38.3202 -17.2295 -17.2295 -16.7213 -16.7213 -16.7185 -16.7185 5.6509 5.6509 6.1560 6.1560 6.1886 6.1886 6.9434 6.9434 6.9641 6.9641 7.2258 7.2258 12.2669 12.2669 12.2675 12.2675 13.4137 13.4137 13.9534 13.9534 13.9613 13.9613 k = 0.1375 0.1375 0.1375 ( 1662 PWs) bands (ev): -38.3197 -38.3197 -17.2312 -17.2312 -16.7232 -16.7232 -16.7202 -16.7202 5.7146 5.7146 6.1712 6.1712 6.2086 6.2086 6.9388 6.9388 6.9592 6.9592 7.2211 7.2211 12.2668 12.2668 12.2669 12.2669 13.3631 13.3631 13.9126 13.9126 13.9227 13.9227 k = 0.1437 0.1437 0.1437 ( 1662 PWs) bands (ev): -38.3192 -38.3192 -17.2329 -17.2329 -16.7251 -16.7251 -16.7219 -16.7219 5.7791 5.7791 6.1865 6.1865 6.2296 6.2296 6.9344 6.9344 6.9541 6.9541 7.2165 7.2165 12.2665 12.2665 12.2670 12.2670 13.3163 13.3163 13.8713 13.8713 13.8834 13.8834 k = 0.1500 0.1500 0.1500 ( 1662 PWs) bands (ev): -38.3186 -38.3186 -17.2346 -17.2346 -16.7270 -16.7270 -16.7237 -16.7237 5.8439 5.8439 6.2020 6.2020 6.2520 6.2520 6.9300 6.9300 6.9489 6.9489 7.2122 7.2122 12.2664 12.2664 12.2677 12.2677 13.2736 13.2736 13.8297 13.8297 13.8436 13.8436 k = 0.1562 0.1562 0.1562 ( 1659 PWs) bands (ev): -38.3181 -38.3181 -17.2364 -17.2364 -16.7289 -16.7289 -16.7256 -16.7256 5.9080 5.9080 6.2172 6.2172 6.2758 6.2758 6.9259 6.9259 6.9439 6.9439 7.2088 7.2088 12.2665 12.2665 12.2688 12.2688 13.2355 13.2355 13.7880 13.7880 13.8036 13.8036 k = 0.1625 0.1625 0.1625 ( 1659 PWs) bands (ev): -38.3175 -38.3175 -17.2382 -17.2382 -16.7309 -16.7309 -16.7275 -16.7275 5.9705 5.9705 6.2324 6.2324 6.3016 6.3016 6.9221 6.9221 6.9389 6.9389 7.2061 7.2061 12.2665 12.2665 12.2700 12.2700 13.2019 13.2019 13.7466 13.7466 13.7636 13.7636 k = 0.1688 0.1687 0.1687 ( 1659 PWs) bands (ev): -38.3169 -38.3169 -17.2401 -17.2401 -16.7329 -16.7329 -16.7294 -16.7294 6.0300 6.0300 6.2473 6.2473 6.3304 6.3304 6.9188 6.9188 6.9340 6.9340 7.2048 7.2048 12.2664 12.2664 12.2714 12.2714 13.1733 13.1733 13.7058 13.7058 13.7239 13.7239 k = 0.1750 0.1750 0.1750 ( 1659 PWs) bands (ev): -38.3163 -38.3163 -17.2419 -17.2419 -16.7350 -16.7350 -16.7314 -16.7314 6.0849 6.0849 6.2619 6.2619 6.3627 6.3627 6.9159 6.9159 6.9293 6.9293 7.2055 7.2055 12.2660 12.2660 12.2727 12.2727 13.1497 13.1497 13.6658 13.6658 13.6848 13.6848 k = 0.1812 0.1812 0.1812 ( 1656 PWs) bands (ev): -38.3157 -38.3157 -17.2438 -17.2438 -16.7370 -16.7370 -16.7334 -16.7334 6.1335 6.1335 6.2760 6.2760 6.3994 6.3994 6.9138 6.9138 6.9249 6.9249 7.2091 7.2091 12.2649 12.2649 12.2737 12.2737 13.1315 13.1315 13.6270 13.6270 13.6465 13.6465 k = 0.1875 0.1875 0.1875 ( 1650 PWs) bands (ev): -38.3151 -38.3151 -17.2457 -17.2457 -16.7391 -16.7391 -16.7355 -16.7355 6.1748 6.1748 6.2897 6.2897 6.4407 6.4407 6.9123 6.9123 6.9207 6.9207 7.2166 7.2166 12.2629 12.2629 12.2742 12.2742 13.1186 13.1186 13.5899 13.5899 13.6096 13.6096 k = 0.1938 0.1937 0.1937 ( 1650 PWs) bands (ev): -38.3145 -38.3145 -17.2477 -17.2477 -16.7412 -16.7412 -16.7376 -16.7376 6.2085 6.2085 6.3024 6.3024 6.4852 6.4852 6.9117 6.9117 6.9163 6.9163 7.2293 7.2293 12.2597 12.2597 12.2737 12.2737 13.1113 13.1113 13.5549 13.5549 13.5744 13.5744 k = 0.2000 0.2000 0.2000 ( 1650 PWs) bands (ev): -38.3139 -38.3139 -17.2497 -17.2497 -16.7433 -16.7433 -16.7397 -16.7397 6.2354 6.2354 6.3143 6.3143 6.5312 6.5312 6.9117 6.9117 6.9119 6.9119 7.2485 7.2485 12.2548 12.2548 12.2720 12.2720 13.1095 13.1095 13.5225 13.5225 13.5414 13.5414 k = 0.2062 0.2062 0.2062 ( 1650 PWs) bands (ev): -38.3132 -38.3132 -17.2517 -17.2517 -16.7454 -16.7454 -16.7418 -16.7418 6.2565 6.2565 6.3252 6.3252 6.5767 6.5767 6.9066 6.9066 6.9133 6.9133 7.2755 7.2755 12.2479 12.2479 12.2687 12.2687 13.1134 13.1134 13.4932 13.4932 13.5111 13.5111 k = 0.2125 0.2125 0.2125 ( 1647 PWs) bands (ev): -38.3126 -38.3126 -17.2537 -17.2537 -16.7475 -16.7475 -16.7440 -16.7440 6.2727 6.2727 6.3350 6.3350 6.6200 6.6200 6.9007 6.9007 6.9159 6.9159 7.3114 7.3114 12.2385 12.2385 12.2633 12.2633 13.1229 13.1229 13.4675 13.4675 13.4839 13.4839 k = 0.2188 0.2187 0.2187 ( 1647 PWs) bands (ev): -38.3119 -38.3119 -17.2557 -17.2557 -16.7496 -16.7496 -16.7462 -16.7462 6.2847 6.2847 6.3436 6.3436 6.6598 6.6598 6.8939 6.8939 6.9197 6.9197 7.3567 7.3567 12.2263 12.2263 12.2554 12.2554 13.1381 13.1381 13.4458 13.4458 13.4605 13.4605 k = 0.2250 0.2250 0.2250 ( 1647 PWs) bands (ev): -38.3113 -38.3113 -17.2577 -17.2577 -16.7518 -16.7518 -16.7484 -16.7484 6.2932 6.2932 6.3510 6.3510 6.6956 6.6956 6.8862 6.8862 6.9248 6.9248 7.4112 7.4112 12.2109 12.2109 12.2446 12.2446 13.1590 13.1590 13.4287 13.4287 13.4412 13.4412 k = 0.2313 0.2312 0.2312 ( 1646 PWs) bands (ev): -38.3106 -38.3106 -17.2597 -17.2597 -16.7539 -16.7539 -16.7506 -16.7506 6.2986 6.2986 6.3570 6.3570 6.7276 6.7276 6.8778 6.8778 6.9314 6.9314 7.4742 7.4742 12.1919 12.1919 12.2305 12.2305 13.1855 13.1855 13.4164 13.4164 13.4266 13.4266 k = 0.2375 0.2375 0.2375 ( 1646 PWs) bands (ev): -38.3099 -38.3099 -17.2618 -17.2618 -16.7560 -16.7560 -16.7528 -16.7528 6.3012 6.3012 6.3617 6.3617 6.7559 6.7559 6.8694 6.8694 6.9395 6.9395 7.5447 7.5447 12.1691 12.1691 12.2127 12.2127 13.2176 13.2176 13.4094 13.4094 13.4170 13.4170 k = 0.2437 0.2437 0.2437 ( 1646 PWs) bands (ev): -38.3093 -38.3093 -17.2638 -17.2638 -16.7581 -16.7581 -16.7550 -16.7550 6.3014 6.3014 6.3651 6.3651 6.7798 6.7798 6.8623 6.8623 6.9490 6.9490 7.6215 7.6215 12.1425 12.1425 12.1910 12.1910 13.2551 13.2551 13.4076 13.4076 13.4127 13.4127 k = 0.2500 0.2500 0.2500 ( 1658 PWs) bands (ev): -38.3086 -38.3086 -17.2659 -17.2659 -16.7603 -16.7603 -16.7573 -16.7573 6.2995 6.2995 6.3670 6.3670 6.7965 6.7965 6.8599 6.8599 6.9597 6.9597 7.7033 7.7033 12.1120 12.1120 12.1654 12.1654 13.2981 13.2981 13.4113 13.4113 13.4137 13.4137 k = 0.2562 0.2562 0.2562 ( 1649 PWs) bands (ev): -38.3080 -38.3080 -17.2679 -17.2679 -16.7623 -16.7623 -16.7594 -16.7594 6.2960 6.2960 6.3681 6.3681 6.8018 6.8018 6.8680 6.8680 6.9722 6.9722 7.7894 7.7894 12.0779 12.0779 12.1359 12.1359 13.3463 13.3463 13.4203 13.4203 13.4204 13.4204 k = 0.2625 0.2625 0.2625 ( 1649 PWs) bands (ev): -38.3073 -38.3073 -17.2699 -17.2699 -16.7644 -16.7644 -16.7616 -16.7616 6.2910 6.2910 6.3677 6.3677 6.7968 6.7968 6.8852 6.8852 6.9859 6.9859 7.8788 7.8788 12.0401 12.0401 12.1026 12.1026 13.3990 13.3990 13.4321 13.4321 13.4354 13.4354 k = 0.2687 0.2687 0.2687 ( 1649 PWs) bands (ev): -38.3066 -38.3066 -17.2719 -17.2719 -16.7664 -16.7664 -16.7638 -16.7638 6.2848 6.2848 6.3662 6.3662 6.7869 6.7869 6.9066 6.9066 7.0009 7.0009 7.9706 7.9706 11.9991 11.9991 12.0658 12.0658 13.4466 13.4466 13.4490 13.4490 13.4656 13.4656 k = 0.2750 0.2750 0.2750 ( 1649 PWs) bands (ev): -38.3060 -38.3060 -17.2739 -17.2739 -16.7685 -16.7685 -16.7660 -16.7660 6.2777 6.2777 6.3637 6.3637 6.7750 6.7750 6.9299 6.9299 7.0170 7.0170 8.0644 8.0644 11.9552 11.9552 12.0257 12.0257 13.4708 13.4708 13.4739 13.4739 13.5258 13.5258 k = 0.2812 0.2812 0.2812 ( 1649 PWs) bands (ev): -38.3053 -38.3053 -17.2758 -17.2758 -16.7705 -16.7705 -16.7682 -16.7682 6.2700 6.2700 6.3603 6.3603 6.7623 6.7623 6.9540 6.9540 7.0342 7.0342 8.1597 8.1597 11.9086 11.9086 11.9826 11.9826 13.4971 13.4971 13.5021 13.5021 13.5944 13.5944 k = 0.2875 0.2875 0.2875 ( 1649 PWs) bands (ev): -38.3047 -38.3047 -17.2778 -17.2778 -16.7725 -16.7725 -16.7704 -16.7704 6.2618 6.2618 6.3562 6.3562 6.7491 6.7491 6.9787 6.9787 7.0524 7.0524 8.2560 8.2560 11.8598 11.8598 11.9370 11.9370 13.5276 13.5276 13.5338 13.5338 13.6683 13.6683 k = 0.2938 0.2937 0.2937 ( 1643 PWs) bands (ev): -38.3040 -38.3040 -17.2797 -17.2797 -16.7745 -16.7745 -16.7724 -16.7724 6.2533 6.2533 6.3515 6.3515 6.7360 6.7360 7.0039 7.0039 7.0717 7.0717 8.3526 8.3526 11.8091 11.8091 11.8893 11.8893 13.5620 13.5620 13.5690 13.5690 13.7472 13.7472 k = 0.3000 0.3000 0.3000 ( 1643 PWs) bands (ev): -38.3034 -38.3034 -17.2816 -17.2816 -16.7764 -16.7764 -16.7746 -16.7746 6.2449 6.2449 6.3461 6.3461 6.7228 6.7228 7.0294 7.0294 7.0915 7.0915 8.4499 8.4499 11.7567 11.7567 11.8395 11.8395 13.5998 13.5998 13.6074 13.6074 13.8309 13.8309 k = 0.3063 0.3062 0.3062 ( 1643 PWs) bands (ev): -38.3028 -38.3028 -17.2835 -17.2835 -16.7784 -16.7784 -16.7766 -16.7766 6.2366 6.2366 6.3402 6.3402 6.7097 6.7097 7.0550 7.0550 7.1120 7.1120 8.5472 8.5472 11.7029 11.7029 11.7882 11.7882 13.6407 13.6407 13.6488 13.6488 13.9192 13.9192 k = 0.3125 0.3125 0.3125 ( 1649 PWs) bands (ev): -38.3022 -38.3022 -17.2854 -17.2854 -16.7803 -16.7803 -16.7787 -16.7787 6.2286 6.2286 6.3339 6.3339 6.6967 6.6967 7.0808 7.0808 7.1330 7.1330 8.6443 8.6443 11.6481 11.6481 11.7355 11.7355 13.6845 13.6845 13.6927 13.6927 14.0121 14.0121 k = 0.3187 0.3187 0.3187 ( 1640 PWs) bands (ev): -38.3016 -38.3016 -17.2872 -17.2872 -16.7821 -16.7821 -16.7807 -16.7807 6.2210 6.2210 6.3274 6.3274 6.6842 6.6842 7.1070 7.1070 7.1548 7.1548 8.7409 8.7409 11.5926 11.5926 11.6820 11.6820 13.7309 13.7309 13.7391 13.7391 14.1095 14.1095 k = 0.3250 0.3250 0.3250 ( 1640 PWs) bands (ev): -38.3010 -38.3010 -17.2890 -17.2890 -16.7839 -16.7839 -16.7827 -16.7827 6.2139 6.2139 6.3206 6.3206 6.6720 6.6720 7.1331 7.1331 7.1769 7.1769 8.8370 8.8370 11.5365 11.5365 11.6277 11.6277 13.7794 13.7794 13.7875 13.7875 14.2112 14.2112 k = 0.3312 0.3312 0.3312 ( 1646 PWs) bands (ev): -38.3004 -38.3004 -17.2907 -17.2907 -16.7858 -16.7858 -16.7846 -16.7846 6.2073 6.2073 6.3135 6.3135 6.6601 6.6601 7.1593 7.1593 7.1993 7.1993 8.9321 8.9321 11.4800 11.4800 11.5728 11.5728 13.8299 13.8299 13.8378 13.8378 14.3172 14.3172 k = 0.3375 0.3375 0.3375 ( 1646 PWs) bands (ev): -38.2998 -38.2998 -17.2925 -17.2925 -16.7875 -16.7875 -16.7865 -16.7865 6.2013 6.2013 6.3064 6.3064 6.6488 6.6488 7.1854 7.1854 7.2220 7.2220 9.0262 9.0262 11.4236 11.4236 11.5178 11.5178 13.8821 13.8821 13.8897 13.8897 14.4273 14.4273 k = 0.3438 0.3437 0.3437 ( 1640 PWs) bands (ev): -38.2993 -38.2993 -17.2941 -17.2941 -16.7892 -16.7892 -16.7883 -16.7883 6.1961 6.1961 6.2994 6.2994 6.6380 6.6380 7.2116 7.2116 7.2450 7.2450 9.1192 9.1192 11.3673 11.3673 11.4629 11.4629 13.9357 13.9357 13.9429 13.9429 14.5415 14.5415 k = 0.3500 0.3500 0.3500 ( 1646 PWs) bands (ev): -38.2987 -38.2987 -17.2958 -17.2958 -16.7909 -16.7909 -16.7901 -16.7901 6.1913 6.1913 6.2922 6.2922 6.6276 6.6276 7.2376 7.2376 7.2680 7.2680 9.2106 9.2106 11.3113 11.3113 11.4080 11.4080 13.9904 13.9904 13.9973 13.9973 14.6596 14.6596 k = 0.3563 0.3562 0.3562 ( 1646 PWs) bands (ev): -38.2982 -38.2982 -17.2974 -17.2974 -16.7926 -16.7926 -16.7919 -16.7919 6.1874 6.1874 6.2852 6.2852 6.6178 6.6178 7.2635 7.2635 7.2911 7.2911 9.3005 9.3005 11.2557 11.2557 11.3535 11.3535 14.0460 14.0460 14.0525 14.0525 14.7816 14.7816 k = 0.3625 0.3625 0.3625 ( 1658 PWs) bands (ev): -38.2977 -38.2977 -17.2990 -17.2990 -16.7943 -16.7943 -16.7936 -16.7936 6.1839 6.1839 6.2781 6.2781 6.6084 6.6084 7.2890 7.2890 7.3139 7.3139 9.3885 9.3885 11.2009 11.2009 11.2997 11.2997 14.1023 14.1023 14.1083 14.1083 14.9072 14.9072 k = 0.3688 0.3687 0.3687 ( 1652 PWs) bands (ev): -38.2972 -38.2972 -17.3005 -17.3005 -16.7958 -16.7958 -16.7952 -16.7952 6.1814 6.1814 6.2714 6.2714 6.5997 6.5997 7.3144 7.3144 7.3370 7.3370 9.4748 9.4748 11.1470 11.1470 11.2465 11.2465 14.1591 14.1591 14.1645 14.1645 15.0365 15.0365 k = 0.3750 0.3750 0.3750 ( 1658 PWs) bands (ev): -38.2967 -38.2967 -17.3020 -17.3020 -16.7973 -16.7973 -16.7968 -16.7968 6.1794 6.1794 6.2646 6.2646 6.5914 6.5914 7.3395 7.3395 7.3599 7.3599 9.5590 9.5590 11.0939 11.0939 11.1942 11.1942 14.2159 14.2159 14.2209 14.2209 15.1690 15.1690 k = 0.3812 0.3812 0.3812 ( 1652 PWs) bands (ev): -38.2963 -38.2963 -17.3033 -17.3033 -16.7987 -16.7987 -16.7984 -16.7984 6.1784 6.1784 6.2581 6.2581 6.5840 6.5840 7.3642 7.3642 7.3825 7.3825 9.6411 9.6411 11.0423 11.0423 11.1431 11.1431 14.2727 14.2727 14.2772 14.2772 15.3047 15.3047 k = 0.3875 0.3875 0.3875 ( 1652 PWs) bands (ev): -38.2959 -38.2959 -17.3047 -17.3047 -16.8001 -16.8001 -16.7998 -16.7998 6.1776 6.1776 6.2519 6.2519 6.5770 6.5770 7.3884 7.3884 7.4048 7.4048 9.7207 9.7207 10.9920 10.9920 11.0932 11.0932 14.3291 14.3291 14.3331 14.3331 15.4432 15.4432 k = 0.3937 0.3937 0.3937 ( 1652 PWs) bands (ev): -38.2954 -38.2954 -17.3060 -17.3060 -16.8014 -16.8014 -16.8012 -16.8012 6.1773 6.1773 6.2459 6.2459 6.5707 6.5707 7.4121 7.4121 7.4267 7.4267 9.7977 9.7977 10.9432 10.9432 11.0448 11.0448 14.3848 14.3848 14.3884 14.3884 15.5840 15.5840 k = 0.4000 0.4000 0.4000 ( 1652 PWs) bands (ev): -38.2950 -38.2950 -17.3072 -17.3072 -16.8027 -16.8027 -16.8025 -16.8025 6.1775 6.1775 6.2402 6.2402 6.5649 6.5649 7.4352 7.4352 7.4480 7.4480 9.8718 9.8718 10.8963 10.8963 10.9980 10.9980 14.4397 14.4397 14.4428 14.4428 15.7261 15.7261 k = 0.4062 0.4062 0.4062 ( 1646 PWs) bands (ev): -38.2947 -38.2947 -17.3083 -17.3083 -16.8038 -16.8038 -16.8037 -16.8037 6.1781 6.1781 6.2350 6.2350 6.5598 6.5598 7.4576 7.4576 7.4689 7.4689 9.9430 9.9430 10.8513 10.8513 10.9530 10.9530 14.4933 14.4933 14.4960 14.4960 15.8670 15.8670 k = 0.4125 0.4125 0.4125 ( 1646 PWs) bands (ev): -38.2943 -38.2943 -17.3094 -17.3094 -16.8050 -16.8050 -16.8049 -16.8049 6.1790 6.1790 6.2298 6.2298 6.5551 6.5551 7.4791 7.4791 7.4890 7.4890 10.0109 10.0109 10.8084 10.8084 10.9098 10.9098 14.5455 14.5455 14.5478 14.5478 15.9960 15.9960 k = 0.4188 0.4187 0.4187 ( 1643 PWs) bands (ev): -38.2940 -38.2940 -17.3104 -17.3104 -16.8060 -16.8060 -16.8060 -16.8060 6.1801 6.1801 6.2250 6.2250 6.5510 6.5510 7.4999 7.4999 7.5085 7.5085 10.0754 10.0754 10.7679 10.7679 10.8688 10.8688 14.5959 14.5959 14.5978 14.5978 16.0565 16.0565 k = 0.4250 0.4250 0.4250 ( 1643 PWs) bands (ev): -38.2937 -38.2937 -17.3114 -17.3114 -16.8070 -16.8070 -16.8070 -16.8070 6.1814 6.1814 6.2205 6.2205 6.5473 6.5473 7.5196 7.5196 7.5269 7.5269 10.1359 10.1359 10.7300 10.7300 10.8299 10.8299 14.6442 14.6442 14.6458 14.6458 16.0102 16.0102 k = 0.4313 0.4312 0.4312 ( 1643 PWs) bands (ev): -38.2934 -38.2934 -17.3123 -17.3123 -16.8080 -16.8080 -16.8079 -16.8079 6.1829 6.1829 6.2163 6.2163 6.5442 6.5442 7.5383 7.5383 7.5444 7.5444 10.1924 10.1924 10.6950 10.6950 10.7935 10.7935 14.6901 14.6901 14.6914 14.6914 15.9364 15.9364 k = 0.4375 0.4375 0.4375 ( 1643 PWs) bands (ev): -38.2931 -38.2931 -17.3131 -17.3131 -16.8088 -16.8088 -16.8088 -16.8088 6.1844 6.1844 6.2125 6.2125 6.5415 6.5415 7.5558 7.5558 7.5608 7.5608 10.2442 10.2442 10.6632 10.6632 10.7597 10.7597 14.7333 14.7333 14.7344 14.7344 15.8605 15.8605 k = 0.4437 0.4437 0.4437 ( 1643 PWs) bands (ev): -38.2929 -38.2929 -17.3138 -17.3138 -16.8096 -16.8096 -16.8096 -16.8096 6.1859 6.1859 6.2090 6.2090 6.5392 6.5392 7.5720 7.5720 7.5761 7.5761 10.2909 10.2909 10.6352 10.6352 10.7285 10.7285 14.7735 14.7735 14.7744 14.7744 15.7878 15.7878 k = 0.4500 0.4500 0.4500 ( 1637 PWs) bands (ev): -38.2927 -38.2927 -17.3145 -17.3145 -16.8103 -16.8103 -16.8103 -16.8103 6.1875 6.1875 6.2059 6.2059 6.5374 6.5374 7.5869 7.5869 7.5902 7.5902 10.3317 10.3317 10.6115 10.6115 10.7002 10.7002 14.8105 14.8105 14.8111 14.8111 15.7202 15.7202 k = 0.4562 0.4562 0.4562 ( 1634 PWs) bands (ev): -38.2925 -38.2925 -17.3151 -17.3151 -16.8109 -16.8109 -16.8109 -16.8109 6.1889 6.1889 6.2031 6.2031 6.5359 6.5359 7.6003 7.6003 7.6029 7.6029 10.3658 10.3658 10.5930 10.5930 10.6748 10.6748 14.8439 14.8439 14.8443 14.8443 15.6587 15.6587 k = 0.4625 0.4625 0.4625 ( 1640 PWs) bands (ev): -38.2923 -38.2923 -17.3156 -17.3156 -16.8115 -16.8115 -16.8115 -16.8115 6.1901 6.1901 6.2007 6.2007 6.5346 6.5346 7.6121 7.6121 7.6139 7.6139 10.3917 10.3917 10.5805 10.5805 10.6526 10.6526 14.8734 14.8734 14.8738 14.8738 15.6040 15.6040 k = 0.4688 0.4687 0.4687 ( 1640 PWs) bands (ev): -38.2922 -38.2922 -17.3161 -17.3161 -16.8120 -16.8120 -16.8120 -16.8120 6.1912 6.1912 6.1986 6.1986 6.5336 6.5336 7.6222 7.6222 7.6235 7.6235 10.4093 10.4093 10.5748 10.5748 10.6335 10.6335 14.8989 14.8989 14.8991 14.8991 15.5568 15.5568 k = 0.4750 0.4750 0.4750 ( 1640 PWs) bands (ev): -38.2920 -38.2920 -17.3164 -17.3164 -16.8123 -16.8123 -16.8123 -16.8123 6.1922 6.1922 6.1969 6.1969 6.5329 6.5329 7.6306 7.6306 7.6314 7.6314 10.4188 10.4188 10.5751 10.5751 10.6178 10.6178 14.9200 14.9200 14.9202 14.9202 15.5175 15.5175 k = 0.4813 0.4812 0.4812 ( 1640 PWs) bands (ev): -38.2919 -38.2919 -17.3167 -17.3167 -16.8126 -16.8126 -16.8126 -16.8126 6.1929 6.1929 6.1956 6.1956 6.5323 6.5323 7.6372 7.6372 7.6377 7.6377 10.4225 10.4225 10.5793 10.5793 10.6055 10.6055 14.9367 14.9367 14.9368 14.9368 15.4866 15.4866 k = 0.4875 0.4875 0.4875 ( 1640 PWs) bands (ev): -38.2919 -38.2919 -17.3169 -17.3169 -16.8129 -16.8129 -16.8129 -16.8129 6.1935 6.1935 6.1947 6.1947 6.5320 6.5320 7.6420 7.6420 7.6422 7.6422 10.4231 10.4231 10.5843 10.5843 10.5967 10.5967 14.9487 14.9487 14.9488 14.9488 15.4642 15.4642 k = 0.4938 0.4937 0.4937 ( 1640 PWs) bands (ev): -38.2918 -38.2918 -17.3170 -17.3170 -16.8130 -16.8130 -16.8130 -16.8130 6.1938 6.1938 6.1941 6.1941 6.5318 6.5318 7.6448 7.6448 7.6449 7.6449 10.4227 10.4227 10.5882 10.5882 10.5913 10.5913 14.9560 14.9560 14.9560 14.9560 15.4507 15.4507 k = 0.5000 0.5000 0.5000 ( 1640 PWs) bands (ev): -38.2918 -38.2918 -17.3171 -17.3171 -16.8130 -16.8130 -16.8130 -16.8130 6.1939 6.1939 6.1939 6.1939 6.5317 6.5317 7.6458 7.6458 7.6458 7.6458 10.4224 10.4224 10.5896 10.5896 10.5896 10.5896 14.9584 14.9584 14.9584 14.9584 15.4462 15.4462 k = 0.5000 0.5000 0.5000 ( 1640 PWs) bands (ev): -38.2918 -38.2918 -17.3171 -17.3171 -16.8130 -16.8130 -16.8130 -16.8130 6.1939 6.1939 6.1939 6.1939 6.5317 6.5317 7.6458 7.6458 7.6458 7.6458 10.4224 10.4224 10.5896 10.5896 10.5896 10.5896 14.9584 14.9584 14.9584 14.9584 15.4462 15.4462 k = 0.4924 0.5000 0.4924 ( 1640 PWs) bands (ev): -38.2918 -38.2918 -17.3170 -17.3170 -16.8130 -16.8130 -16.8130 -16.8130 6.1938 6.1938 6.1941 6.1941 6.5317 6.5317 7.6444 7.6444 7.6453 7.6453 10.4227 10.4227 10.5883 10.5883 10.5912 10.5912 14.9549 14.9549 14.9572 14.9572 15.4506 15.4506 k = 0.4848 0.5000 0.4848 ( 1640 PWs) bands (ev): -38.2919 -38.2919 -17.3169 -17.3169 -16.8130 -16.8130 -16.8127 -16.8127 6.1934 6.1934 6.1948 6.1948 6.5320 6.5320 7.6404 7.6404 7.6439 7.6439 10.4232 10.4232 10.5849 10.5849 10.5959 10.5959 14.9444 14.9444 14.9535 14.9535 15.4639 15.4639 k = 0.4773 0.5000 0.4773 ( 1640 PWs) bands (ev): -38.2919 -38.2919 -17.3167 -17.3167 -16.8129 -16.8129 -16.8124 -16.8124 6.1928 6.1928 6.1958 6.1958 6.5323 6.5323 7.6337 7.6337 7.6415 7.6415 10.4232 10.4232 10.5801 10.5801 10.6040 10.6040 14.9271 14.9271 14.9474 14.9474 15.4857 15.4857 k = 0.4697 0.5000 0.4697 ( 1640 PWs) bands (ev): -38.2920 -38.2920 -17.3164 -17.3164 -16.8128 -16.8128 -16.8119 -16.8119 6.1919 6.1919 6.1972 6.1972 6.5328 6.5328 7.6244 7.6244 7.6382 7.6382 10.4210 10.4210 10.5753 10.5753 10.6154 10.6154 14.9033 14.9033 14.9387 14.9387 15.5161 15.5161 k = 0.4621 0.5000 0.4621 ( 1640 PWs) bands (ev): -38.2921 -38.2921 -17.3161 -17.3161 -16.8127 -16.8127 -16.8113 -16.8113 6.1907 6.1907 6.1990 6.1990 6.5336 6.5336 7.6127 7.6127 7.6339 7.6339 10.4150 10.4150 10.5722 10.5722 10.6303 10.6303 14.8735 14.8735 14.9274 14.9274 15.5545 15.5545 k = 0.4545 0.5000 0.4545 ( 1640 PWs) bands (ev): -38.2923 -38.2923 -17.3157 -17.3157 -16.8125 -16.8125 -16.8105 -16.8105 6.1893 6.1893 6.2012 6.2012 6.5345 6.5345 7.5987 7.5987 7.6286 7.6286 10.4033 10.4033 10.5726 10.5726 10.6489 10.6489 14.8381 14.8381 14.9134 14.9134 15.6007 15.6007 k = 0.4470 0.5000 0.4470 ( 1638 PWs) bands (ev): -38.2924 -38.2924 -17.3151 -17.3151 -16.8123 -16.8123 -16.8096 -16.8096 6.1877 6.1877 6.2038 6.2038 6.5358 6.5358 7.5824 7.5824 7.6222 7.6222 10.3853 10.3853 10.5771 10.5771 10.6711 10.6711 14.7975 14.7975 14.8966 14.8966 15.6542 15.6542 k = 0.4394 0.5000 0.4394 ( 1642 PWs) bands (ev): -38.2926 -38.2926 -17.3146 -17.3146 -16.8122 -16.8122 -16.8086 -16.8086 6.1858 6.1858 6.2068 6.2068 6.5373 6.5373 7.5640 7.5640 7.6149 7.6149 10.3612 10.3612 10.5854 10.5854 10.6971 10.6971 14.7523 14.7523 14.8770 14.8770 15.7145 15.7145 k = 0.4318 0.5000 0.4318 ( 1638 PWs) bands (ev): -38.2928 -38.2928 -17.3139 -17.3139 -16.8119 -16.8119 -16.8074 -16.8074 6.1837 6.1837 6.2102 6.2102 6.5392 6.5392 7.5440 7.5440 7.6066 7.6066 10.3321 10.3321 10.5967 10.5967 10.7268 10.7268 14.7031 14.7031 14.8544 14.8544 15.7807 15.7807 k = 0.4242 0.5000 0.4242 ( 1644 PWs) bands (ev): -38.2931 -38.2931 -17.3132 -17.3132 -16.8117 -16.8117 -16.8062 -16.8062 6.1813 6.1813 6.2138 6.2138 6.5413 6.5413 7.5222 7.5222 7.5972 7.5972 10.2987 10.2987 10.6099 10.6099 10.7599 10.7599 14.6502 14.6502 14.8287 14.8287 15.8522 15.8522 k = 0.4167 0.5000 0.4167 ( 1640 PWs) bands (ev): -38.2933 -38.2933 -17.3124 -17.3124 -16.8114 -16.8114 -16.8048 -16.8048 6.1789 6.1789 6.2180 6.2180 6.5440 6.5440 7.4990 7.4990 7.5867 7.5867 10.2623 10.2623 10.6244 10.6244 10.7964 10.7964 14.5943 14.5943 14.7999 14.7999 15.9277 15.9277 k = 0.4091 0.5000 0.4091 ( 1644 PWs) bands (ev): -38.2936 -38.2936 -17.3116 -17.3116 -16.8111 -16.8111 -16.8032 -16.8032 6.1762 6.1762 6.2224 6.2224 6.5471 6.5471 7.4743 7.4743 7.5752 7.5752 10.2234 10.2234 10.6397 10.6397 10.8360 10.8360 14.5356 14.5356 14.7678 14.7678 16.0055 16.0055 k = 0.4015 0.5000 0.4015 ( 1644 PWs) bands (ev): -38.2939 -38.2939 -17.3107 -17.3107 -16.8108 -16.8108 -16.8016 -16.8016 6.1735 6.1735 6.2271 6.2271 6.5507 6.5507 7.4487 7.4487 7.5626 7.5626 10.1826 10.1826 10.6551 10.6551 10.8784 10.8784 14.4746 14.4746 14.7326 14.7326 16.0822 16.0822 k = 0.3939 0.5000 0.3939 ( 1644 PWs) bands (ev): -38.2942 -38.2942 -17.3097 -17.3097 -16.8104 -16.8104 -16.7998 -16.7998 6.1706 6.1706 6.2323 6.2323 6.5548 6.5548 7.4222 7.4222 7.5488 7.5488 10.1405 10.1405 10.6703 10.6703 10.9233 10.9233 14.4116 14.4116 14.6943 14.6943 16.1518 16.1518 k = 0.3864 0.5000 0.3864 ( 1646 PWs) bands (ev): -38.2946 -38.2946 -17.3087 -17.3087 -16.8100 -16.8100 -16.7980 -16.7980 6.1678 6.1678 6.2377 6.2377 6.5594 6.5594 7.3950 7.3950 7.5339 7.5339 10.0975 10.0975 10.6849 10.6849 10.9705 10.9705 14.3470 14.3470 14.6529 14.6529 16.2011 16.2011 k = 0.3788 0.5000 0.3788 ( 1642 PWs) bands (ev): -38.2949 -38.2949 -17.3076 -17.3076 -16.8096 -16.8096 -16.7960 -16.7960 6.1650 6.1650 6.2435 6.2435 6.5647 6.5647 7.3673 7.3673 7.5179 7.5179 10.0542 10.0542 10.6984 10.6984 11.0198 11.0198 14.2810 14.2810 14.6089 14.6089 16.2104 16.2104 k = 0.3712 0.5000 0.3712 ( 1642 PWs) bands (ev): -38.2953 -38.2953 -17.3065 -17.3065 -16.8092 -16.8092 -16.7939 -16.7939 6.1622 6.1622 6.2496 6.2496 6.5706 6.5706 7.3391 7.3391 7.5008 7.5008 10.0108 10.0108 10.7105 10.7105 11.0709 11.0709 14.2139 14.2139 14.5626 14.5626 16.1714 16.1714 k = 0.3636 0.5000 0.3636 ( 1650 PWs) bands (ev): -38.2957 -38.2957 -17.3054 -17.3054 -16.8088 -16.8088 -16.7917 -16.7917 6.1595 6.1595 6.2558 6.2558 6.5769 6.5769 7.3105 7.3105 7.4824 7.4824 9.9677 9.9677 10.7207 10.7207 11.1234 11.1234 14.1459 14.1459 14.5143 14.5143 16.1002 16.1002 k = 0.3561 0.5000 0.3561 ( 1650 PWs) bands (ev): -38.2961 -38.2961 -17.3042 -17.3042 -16.8083 -16.8083 -16.7895 -16.7895 6.1570 6.1570 6.2623 6.2623 6.5839 6.5839 7.2820 7.2820 7.4630 7.4630 9.9251 9.9251 10.7287 10.7287 11.1773 11.1773 14.0772 14.0772 14.4648 14.4648 16.0140 16.0140 k = 0.3485 0.5000 0.3485 ( 1646 PWs) bands (ev): -38.2965 -38.2965 -17.3029 -17.3029 -16.8078 -16.8078 -16.7871 -16.7871 6.1548 6.1548 6.2692 6.2692 6.5915 6.5915 7.2535 7.2535 7.4426 7.4426 9.8833 9.8833 10.7341 10.7341 11.2323 11.2323 14.0080 14.0080 14.4147 14.4147 15.9207 15.9207 k = 0.3409 0.5000 0.3409 ( 1650 PWs) bands (ev): -38.2970 -38.2970 -17.3017 -17.3017 -16.8073 -16.8073 -16.7847 -16.7847 6.1528 6.1528 6.2761 6.2761 6.5995 6.5995 7.2252 7.2252 7.4210 7.4210 9.8425 9.8425 10.7363 10.7363 11.2882 11.2882 13.9385 13.9385 14.3646 14.3646 15.8237 15.8237 k = 0.3333 0.5000 0.3333 ( 1646 PWs) bands (ev): -38.2974 -38.2974 -17.3004 -17.3004 -16.8068 -16.8068 -16.7821 -16.7821 6.1512 6.1512 6.2832 6.2832 6.6083 6.6083 7.1973 7.1973 7.3984 7.3984 9.8030 9.8030 10.7351 10.7351 11.3449 11.3449 13.8688 13.8688 14.3154 14.3154 15.7250 15.7250 k = 0.3258 0.5000 0.3258 ( 1646 PWs) bands (ev): -38.2979 -38.2979 -17.2991 -17.2991 -16.8062 -16.8062 -16.7796 -16.7796 6.1500 6.1500 6.2905 6.2905 6.6175 6.6175 7.1698 7.1698 7.3748 7.3748 9.7648 9.7648 10.7299 10.7299 11.4020 11.4020 13.7990 13.7990 14.2678 14.2678 15.6254 15.6254 k = 0.3182 0.5000 0.3182 ( 1642 PWs) bands (ev): -38.2984 -38.2984 -17.2977 -17.2977 -16.8056 -16.8056 -16.7769 -16.7769 6.1493 6.1493 6.2979 6.2979 6.6272 6.6272 7.1430 7.1430 7.3503 7.3503 9.7282 9.7282 10.7206 10.7206 11.4595 11.4595 13.7293 13.7293 14.2224 14.2224 15.5256 15.5256 k = 0.3106 0.5000 0.3106 ( 1650 PWs) bands (ev): -38.2989 -38.2989 -17.2964 -17.2964 -16.8051 -16.8051 -16.7742 -16.7742 6.1490 6.1490 6.3051 6.3051 6.6372 6.6372 7.1168 7.1168 7.3246 7.3246 9.6930 9.6930 10.7065 10.7065 11.5172 11.5172 13.6597 13.6597 14.1798 14.1798 15.4260 15.4260 k = 0.3030 0.5000 0.3030 ( 1662 PWs) bands (ev): -38.2994 -38.2994 -17.2951 -17.2951 -16.8046 -16.8046 -16.7715 -16.7715 6.1490 6.1490 6.3123 6.3123 6.6476 6.6476 7.0912 7.0912 7.2983 7.2983 9.6595 9.6595 10.6878 10.6878 11.5749 11.5749 13.5903 13.5903 14.1407 14.1407 15.3270 15.3270 k = 0.2955 0.5000 0.2955 ( 1662 PWs) bands (ev): -38.2999 -38.2999 -17.2937 -17.2937 -16.8040 -16.8040 -16.7687 -16.7687 6.1499 6.1499 6.3197 6.3197 6.6584 6.6584 7.0670 7.0670 7.2714 7.2714 9.6278 9.6278 10.6642 10.6642 11.6324 11.6324 13.5213 13.5213 14.1055 14.1055 15.2286 15.2286 k = 0.2879 0.5000 0.2879 ( 1662 PWs) bands (ev): -38.3004 -38.3004 -17.2923 -17.2923 -16.8033 -16.8033 -16.7659 -16.7659 6.1514 6.1514 6.3269 6.3269 6.6694 6.6694 7.0441 7.0441 7.2439 7.2439 9.5978 9.5978 10.6355 10.6355 11.6898 11.6898 13.4528 13.4528 14.0745 14.0745 15.1311 15.1311 k = 0.2803 0.5000 0.2803 ( 1662 PWs) bands (ev): -38.3009 -38.3009 -17.2909 -17.2909 -16.8027 -16.8027 -16.7630 -16.7630 6.1535 6.1535 6.3339 6.3339 6.6805 6.6805 7.0227 7.0227 7.2158 7.2158 9.5696 9.5696 10.6018 10.6018 11.7467 11.7467 13.3848 13.3848 14.0480 14.0480 15.0346 15.0346 k = 0.2727 0.5000 0.2727 ( 1670 PWs) bands (ev): -38.3014 -38.3014 -17.2896 -17.2896 -16.8021 -16.8021 -16.7602 -16.7602 6.1562 6.1562 6.3406 6.3406 6.6914 6.6914 7.0027 7.0027 7.1873 7.1873 9.5431 9.5431 10.5630 10.5630 11.8030 11.8030 13.3173 13.3173 14.0259 14.0259 14.9392 14.9392 k = 0.2652 0.5000 0.2652 ( 1670 PWs) bands (ev): -38.3019 -38.3019 -17.2882 -17.2882 -16.8014 -16.8014 -16.7572 -16.7572 6.1597 6.1597 6.3471 6.3471 6.7021 6.7021 6.9849 6.9849 7.1586 7.1586 9.5185 9.5185 10.5195 10.5195 11.8587 11.8587 13.2506 13.2506 14.0084 14.0084 14.8449 14.8449 k = 0.2576 0.5000 0.2576 ( 1666 PWs) bands (ev): -38.3025 -38.3025 -17.2869 -17.2869 -16.8007 -16.8007 -16.7543 -16.7543 6.1640 6.1640 6.3531 6.3531 6.7122 6.7122 6.9695 6.9695 7.1299 7.1299 9.4957 9.4957 10.4713 10.4713 11.9136 11.9136 13.1846 13.1846 13.9952 13.9952 14.7518 14.7518 k = 0.2500 0.5000 0.2500 ( 1666 PWs) bands (ev): -38.3030 -38.3030 -17.2855 -17.2855 -16.8000 -16.8000 -16.7513 -16.7513 6.1690 6.1690 6.3586 6.3586 6.7214 6.7214 6.9567 6.9567 7.1012 7.1012 9.4745 9.4745 10.4188 10.4188 11.9676 11.9676 13.1194 13.1194 13.9862 13.9862 14.6600 14.6600 k = 0.2424 0.5000 0.2424 ( 1666 PWs) bands (ev): -38.3035 -38.3035 -17.2842 -17.2842 -16.7994 -16.7994 -16.7484 -16.7484 6.1746 6.1746 6.3636 6.3636 6.7293 6.7293 6.9469 6.9469 7.0728 7.0728 9.4550 9.4550 10.3623 10.3623 12.0205 12.0205 13.0551 13.0551 13.9811 13.9811 14.5696 14.5696 k = 0.2348 0.5000 0.2348 ( 1666 PWs) bands (ev): -38.3040 -38.3040 -17.2829 -17.2829 -16.7987 -16.7987 -16.7455 -16.7455 6.1809 6.1809 6.3678 6.3678 6.7357 6.7357 6.9404 6.9404 7.0448 7.0448 9.4370 9.4370 10.3022 10.3022 12.0724 12.0724 12.9917 12.9917 13.9795 13.9795 14.4807 14.4807 k = 0.2273 0.5000 0.2273 ( 1658 PWs) bands (ev): -38.3046 -38.3046 -17.2816 -17.2816 -16.7980 -16.7980 -16.7425 -16.7425 6.1879 6.1879 6.3712 6.3712 6.7404 6.7404 6.9377 6.9377 7.0176 7.0176 9.4207 9.4207 10.2388 10.2388 12.1230 12.1230 12.9294 12.9294 13.9812 13.9812 14.3932 14.3932 k = 0.2197 0.5000 0.2197 ( 1646 PWs) bands (ev): -38.3051 -38.3051 -17.2802 -17.2802 -16.7972 -16.7972 -16.7395 -16.7395 6.1956 6.1956 6.3739 6.3739 6.7432 6.7432 6.9382 6.9382 6.9917 6.9917 9.4058 9.4058 10.1726 10.1726 12.1725 12.1725 12.8683 12.8683 13.9856 13.9856 14.3073 14.3073 k = 0.2121 0.5000 0.2121 ( 1646 PWs) bands (ev): -38.3056 -38.3056 -17.2790 -17.2790 -16.7965 -16.7965 -16.7367 -16.7367 6.2036 6.2036 6.3755 6.3755 6.7443 6.7443 6.9402 6.9402 6.9685 6.9685 9.3923 9.3923 10.1039 10.1039 12.2205 12.2205 12.8082 12.8082 13.9924 13.9924 14.2230 14.2230 k = 0.2045 0.5000 0.2045 ( 1650 PWs) bands (ev): -38.3061 -38.3061 -17.2778 -17.2778 -16.7958 -16.7958 -16.7338 -16.7338 6.2120 6.2120 6.3761 6.3761 6.7438 6.7438 6.9336 6.9336 6.9582 6.9582 9.3802 9.3802 10.0331 10.0331 12.2670 12.2670 12.7493 12.7493 14.0011 14.0011 14.1406 14.1406 k = 0.1970 0.5000 0.1970 ( 1646 PWs) bands (ev): -38.3066 -38.3066 -17.2767 -17.2767 -16.7951 -16.7951 -16.7310 -16.7310 6.2209 6.2209 6.3758 6.3758 6.7424 6.7424 6.9146 6.9146 6.9647 6.9647 9.3693 9.3693 9.9607 9.9607 12.3121 12.3121 12.6917 12.6917 14.0108 14.0108 14.0604 14.0604 k = 0.1894 0.5000 0.1894 ( 1650 PWs) bands (ev): -38.3071 -38.3071 -17.2756 -17.2756 -16.7944 -16.7944 -16.7283 -16.7283 6.2298 6.2298 6.3743 6.3743 6.7401 6.7401 6.8950 6.8950 6.9758 6.9758 9.3595 9.3595 9.8870 9.8870 12.3555 12.3555 12.6355 12.6355 13.9793 13.9793 14.0246 14.0246 k = 0.1818 0.5000 0.1818 ( 1650 PWs) bands (ev): -38.3076 -38.3076 -17.2745 -17.2745 -16.7937 -16.7937 -16.7256 -16.7256 6.2388 6.2388 6.3721 6.3721 6.7371 6.7371 6.8773 6.8773 6.9890 6.9890 9.3509 9.3509 9.8125 9.8125 12.3974 12.3974 12.5807 12.5807 13.9030 13.9030 14.0364 14.0364 k = 0.1742 0.5000 0.1742 ( 1658 PWs) bands (ev): -38.3081 -38.3081 -17.2735 -17.2735 -16.7931 -16.7931 -16.7230 -16.7230 6.2474 6.2474 6.3689 6.3689 6.7334 6.7334 6.8624 6.8624 7.0034 7.0034 9.3432 9.3432 9.7374 9.7374 12.4375 12.4375 12.5274 12.5274 13.8280 13.8280 14.0494 14.0494 k = 0.1667 0.5000 0.1667 ( 1664 PWs) bands (ev): -38.3085 -38.3085 -17.2725 -17.2725 -16.7925 -16.7925 -16.7204 -16.7204 6.2557 6.2557 6.3649 6.3649 6.7291 6.7291 6.8507 6.8507 7.0187 7.0187 9.3363 9.3363 9.6622 9.6622 12.4751 12.4751 12.4764 12.4764 13.7552 13.7552 14.0626 14.0626 k = 0.1591 0.5000 0.1591 ( 1648 PWs) bands (ev): -38.3090 -38.3090 -17.2714 -17.2714 -16.7917 -16.7917 -16.7178 -16.7178 6.2637 6.2637 6.3607 6.3607 6.7246 6.7246 6.8428 6.8428 7.0349 7.0349 9.3303 9.3303 9.5874 9.5874 12.4256 12.4256 12.5129 12.5129 13.6845 13.6845 14.0760 14.0760 k = 0.1515 0.5000 0.1515 ( 1648 PWs) bands (ev): -38.3094 -38.3094 -17.2705 -17.2705 -16.7911 -16.7911 -16.7154 -16.7154 6.2705 6.2705 6.3557 6.3557 6.7198 6.7198 6.8379 6.8379 7.0513 7.0513 9.3246 9.3246 9.5133 9.5133 12.3772 12.3772 12.5479 12.5479 13.6161 13.6161 14.0892 14.0892 k = 0.1439 0.5000 0.1439 ( 1640 PWs) bands (ev): -38.3098 -38.3098 -17.2696 -17.2696 -16.7904 -16.7904 -16.7130 -16.7130 6.2763 6.2763 6.3505 6.3505 6.7155 6.7155 6.8360 6.8360 7.0681 7.0681 9.3185 9.3185 9.4412 9.4412 12.3306 12.3306 12.5813 12.5813 13.5501 13.5501 14.1020 14.1020 k = 0.1364 0.5000 0.1364 ( 1640 PWs) bands (ev): -38.3102 -38.3102 -17.2688 -17.2688 -16.7898 -16.7898 -16.7107 -16.7107 6.2807 6.2807 6.3448 6.3448 6.7123 6.7123 6.8365 6.8365 7.0848 7.0848 9.3081 9.3081 9.3749 9.3749 12.2859 12.2859 12.6127 12.6127 13.4866 13.4866 14.1142 14.1142 k = 0.1288 0.5000 0.1288 ( 1642 PWs) bands (ev): -38.3106 -38.3106 -17.2680 -17.2680 -16.7893 -16.7893 -16.7086 -16.7086 6.2836 6.2836 6.3389 6.3389 6.7106 6.7106 6.8390 6.8390 7.1014 7.1014 9.2735 9.2735 9.3348 9.3348 12.2430 12.2430 12.6424 12.6424 13.4256 13.4256 14.1258 14.1258 k = 0.1212 0.5000 0.1212 ( 1642 PWs) bands (ev): -38.3110 -38.3110 -17.2672 -17.2672 -16.7887 -16.7887 -16.7065 -16.7065 6.2851 6.2851 6.3328 6.3328 6.7108 6.7108 6.8430 6.8430 7.1178 7.1178 9.2117 9.2117 9.3239 9.3239 12.2021 12.2021 12.6703 12.6703 13.3674 13.3674 14.1366 14.1366 k = 0.1136 0.5000 0.1136 ( 1646 PWs) bands (ev): -38.3113 -38.3113 -17.2665 -17.2665 -16.7882 -16.7882 -16.7046 -16.7046 6.2852 6.2852 6.3265 6.3265 6.7132 6.7132 6.8482 6.8482 7.1338 7.1338 9.1453 9.1453 9.3199 9.3199 12.1632 12.1632 12.6963 12.6963 13.3120 13.3120 14.1466 14.1466 k = 0.1061 0.5000 0.1061 ( 1638 PWs) bands (ev): -38.3117 -38.3117 -17.2658 -17.2658 -16.7876 -16.7876 -16.7026 -16.7026 6.2844 6.2844 6.3201 6.3201 6.7177 6.7177 6.8545 6.8545 7.1496 7.1496 9.0796 9.0796 9.3179 9.3179 12.1266 12.1266 12.7206 12.7206 13.2596 13.2596 14.1557 14.1557 k = 0.0985 0.5000 0.0985 ( 1638 PWs) bands (ev): -38.3120 -38.3120 -17.2652 -17.2652 -16.7871 -16.7871 -16.7009 -16.7009 6.2824 6.2824 6.3135 6.3135 6.7239 6.7239 6.8615 6.8615 7.1647 7.1647 9.0157 9.0157 9.3167 9.3167 12.0921 12.0921 12.7431 12.7431 13.2102 13.2102 14.1640 14.1640 k = 0.0909 0.5000 0.0909 ( 1638 PWs) bands (ev): -38.3123 -38.3123 -17.2647 -17.2647 -16.7866 -16.7866 -16.6992 -16.6992 6.2798 6.2798 6.3067 6.3067 6.7316 6.7316 6.8691 6.8691 7.1793 7.1793 8.9542 8.9542 9.3161 9.3161 12.0599 12.0599 12.7637 12.7637 13.1639 13.1639 14.1714 14.1714 k = 0.0833 0.5000 0.0833 ( 1644 PWs) bands (ev): -38.3125 -38.3125 -17.2642 -17.2642 -16.7862 -16.7862 -16.6977 -16.6977 6.2767 6.2767 6.2998 6.2998 6.7403 6.7403 6.8771 6.8771 7.1931 7.1931 8.8955 8.8955 9.3158 9.3158 12.0299 12.0299 12.7825 12.7825 13.1210 13.1210 14.1780 14.1780 k = 0.0758 0.5000 0.0758 ( 1644 PWs) bands (ev): -38.3128 -38.3128 -17.2637 -17.2637 -16.7858 -16.7858 -16.6963 -16.6963 6.2734 6.2734 6.2931 6.2931 6.7498 6.7498 6.8856 6.8856 7.2062 7.2062 8.8400 8.8400 9.3159 9.3159 12.0024 12.0024 12.7995 12.7995 13.0815 13.0815 14.1838 14.1838 k = 0.0682 0.5000 0.0682 ( 1650 PWs) bands (ev): -38.3130 -38.3130 -17.2633 -17.2633 -16.7855 -16.7855 -16.6951 -16.6951 6.2700 6.2700 6.2864 6.2864 6.7595 6.7595 6.8942 6.8942 7.2181 7.2181 8.7881 8.7881 9.3161 9.3161 11.9773 11.9773 12.8147 12.8147 13.0456 13.0456 14.1888 14.1888 k = 0.0606 0.5000 0.0606 ( 1650 PWs) bands (ev): -38.3132 -38.3132 -17.2629 -17.2629 -16.7852 -16.7852 -16.6939 -16.6939 6.2669 6.2669 6.2801 6.2801 6.7691 6.7691 6.9030 6.9030 7.2294 7.2294 8.7402 8.7402 9.3165 9.3165 11.9547 11.9547 12.8279 12.8279 13.0135 13.0135 14.1932 14.1932 k = 0.0530 0.5000 0.0530 ( 1650 PWs) bands (ev): -38.3134 -38.3134 -17.2626 -17.2626 -16.7849 -16.7849 -16.6929 -16.6929 6.2639 6.2639 6.2743 6.2743 6.7781 6.7781 6.9116 6.9116 7.2397 7.2397 8.6966 8.6966 9.3170 9.3170 11.9346 11.9346 12.8391 12.8391 12.9854 12.9854 14.1968 14.1968 k = 0.0455 0.5000 0.0455 ( 1650 PWs) bands (ev): -38.3136 -38.3136 -17.2623 -17.2623 -16.7846 -16.7846 -16.6920 -16.6920 6.2611 6.2611 6.2689 6.2689 6.7863 6.7863 6.9200 6.9200 7.2488 7.2488 8.6578 8.6578 9.3176 9.3176 11.9172 11.9172 12.8481 12.8481 12.9614 12.9614 14.1999 14.1999 k = 0.0379 0.5000 0.0379 ( 1654 PWs) bands (ev): -38.3137 -38.3137 -17.2621 -17.2621 -16.7844 -16.7844 -16.6913 -16.6913 6.2586 6.2586 6.2642 6.2642 6.7935 6.7935 6.9277 6.9277 7.2567 7.2567 8.6241 8.6241 9.3181 9.3181 11.9022 11.9022 12.8547 12.8547 12.9421 12.9421 14.2023 14.2023 k = 0.0303 0.5000 0.0303 ( 1650 PWs) bands (ev): -38.3138 -38.3138 -17.2619 -17.2619 -16.7842 -16.7842 -16.6906 -16.6906 6.2567 6.2567 6.2603 6.2603 6.7996 6.7996 6.9347 6.9347 7.2634 7.2634 8.5959 8.5959 9.3186 9.3186 11.8900 11.8900 12.8585 12.8585 12.9277 12.9277 14.2043 14.2043 k = 0.0227 0.5000 0.0227 ( 1654 PWs) bands (ev): -38.3139 -38.3139 -17.2617 -17.2617 -16.7841 -16.7841 -16.6902 -16.6902 6.2550 6.2550 6.2571 6.2571 6.8042 6.8042 6.9403 6.9403 7.2686 7.2686 8.5735 8.5735 9.3190 9.3190 11.8804 11.8804 12.8596 12.8596 12.9183 12.9183 14.2058 14.2058 k = 0.0152 0.5000 0.0152 ( 1654 PWs) bands (ev): -38.3140 -38.3140 -17.2616 -17.2616 -16.7840 -16.7840 -16.6898 -16.6898 6.2538 6.2538 6.2549 6.2549 6.8076 6.8076 6.9446 6.9446 7.2725 7.2725 8.5573 8.5573 9.3193 9.3193 11.8736 11.8736 12.8588 12.8588 12.9132 12.9132 14.2068 14.2068 k = 0.0076 0.5000 0.0076 ( 1654 PWs) bands (ev): -38.3140 -38.3140 -17.2616 -17.2616 -16.7839 -16.7839 -16.6896 -16.6896 6.2531 6.2531 6.2535 6.2535 6.8097 6.8097 6.9473 6.9473 7.2748 7.2748 8.5475 8.5475 9.3195 9.3195 11.8695 11.8695 12.8574 12.8574 12.9109 12.9109 14.2075 14.2075 k = 0.0000 0.5000-0.0000 ( 1654 PWs) bands (ev): -38.3140 -38.3140 -17.2615 -17.2615 -16.7839 -16.7839 -16.6896 -16.6896 6.2529 6.2529 6.2530 6.2530 6.8103 6.8103 6.9482 6.9482 7.2756 7.2756 8.5442 8.5442 9.3196 9.3196 11.8681 11.8681 12.8568 12.8568 12.9103 12.9103 14.2077 14.2077 k = 0.5000 0.5000-0.0000 ( 1652 PWs) bands (ev): -38.3030 -38.3030 -17.2899 -17.2899 -16.8258 -16.8258 -16.7169 -16.7169 5.8735 5.8735 6.0999 6.0999 6.6482 6.6482 6.7443 6.7443 7.6188 7.6188 9.9833 9.9833 11.6825 11.6825 11.8278 11.8278 12.6570 12.6570 14.0434 14.0434 14.0592 14.0592 k = 0.5000 0.5000 0.0106 ( 1652 PWs) bands (ev): -38.3030 -38.3030 -17.2899 -17.2899 -16.8258 -16.8258 -16.7170 -16.7170 5.8740 5.8740 6.1008 6.1008 6.6483 6.6483 6.7440 6.7440 7.6188 7.6188 9.9837 9.9837 11.6801 11.6801 11.8253 11.8253 12.6587 12.6587 14.0473 14.0473 14.0632 14.0632 k = 0.5000 0.5000 0.0213 ( 1648 PWs) bands (ev): -38.3030 -38.3030 -17.2899 -17.2899 -16.8257 -16.8257 -16.7173 -16.7173 5.8754 5.8754 6.1037 6.1037 6.6485 6.6485 6.7431 6.7431 7.6189 7.6189 9.9848 9.9848 11.6731 11.6731 11.8178 11.8178 12.6637 12.6637 14.0586 14.0586 14.0752 14.0752 k = 0.5000 0.5000 0.0319 ( 1648 PWs) bands (ev): -38.3029 -38.3029 -17.2900 -17.2900 -16.8256 -16.8256 -16.7179 -16.7179 5.8776 5.8776 6.1082 6.1082 6.6488 6.6488 6.7415 6.7415 7.6190 7.6190 9.9865 9.9865 11.6615 11.6615 11.8053 11.8053 12.6720 12.6720 14.0774 14.0774 14.0948 14.0948 k = 0.5000 0.5000 0.0426 ( 1640 PWs) bands (ev): -38.3028 -38.3028 -17.2902 -17.2902 -16.8255 -16.8255 -16.7187 -16.7187 5.8808 5.8808 6.1144 6.1144 6.6494 6.6494 6.7394 6.7394 7.6194 7.6194 9.9889 9.9889 11.6456 11.6456 11.7884 11.7884 12.6835 12.6835 14.1035 14.1035 14.1221 14.1221 k = 0.5000 0.5000 0.0532 ( 1640 PWs) bands (ev): -38.3027 -38.3027 -17.2904 -17.2904 -16.8254 -16.8254 -16.7197 -16.7197 5.8847 5.8847 6.1222 6.1222 6.6501 6.6501 6.7366 6.7366 7.6196 7.6196 9.9920 9.9920 11.6257 11.6257 11.7671 11.7671 12.6984 12.6984 14.1364 14.1364 14.1564 14.1564 k = 0.5000 0.5000 0.0638 ( 1640 PWs) bands (ev): -38.3026 -38.3026 -17.2906 -17.2906 -16.8252 -16.8252 -16.7209 -16.7209 5.8895 5.8895 6.1315 6.1315 6.6513 6.6513 6.7332 6.7332 7.6199 7.6199 9.9958 9.9958 11.6021 11.6021 11.7421 11.7421 12.7165 12.7165 14.1759 14.1759 14.1975 14.1975 k = 0.5000 0.5000 0.0745 ( 1648 PWs) bands (ev): -38.3024 -38.3024 -17.2909 -17.2909 -16.8251 -16.8251 -16.7225 -16.7225 5.8950 5.8950 6.1420 6.1420 6.6527 6.6527 6.7289 6.7289 7.6202 7.6202 10.0003 10.0003 11.5752 11.5752 11.7136 11.7136 12.7380 12.7380 14.2215 14.2215 14.2449 14.2449 k = 0.5000 0.5000 0.0851 ( 1648 PWs) bands (ev): -38.3022 -38.3022 -17.2913 -17.2913 -16.8249 -16.8249 -16.7241 -16.7241 5.9014 5.9014 6.1537 6.1537 6.6551 6.6551 6.7244 6.7244 7.6205 7.6205 10.0055 10.0055 11.5454 11.5454 11.6821 11.6821 12.7626 12.7626 14.2730 14.2730 14.2982 14.2982 k = 0.5000 0.5000 0.0957 ( 1648 PWs) bands (ev): -38.3020 -38.3020 -17.2917 -17.2917 -16.8246 -16.8246 -16.7260 -16.7260 5.9085 5.9085 6.1664 6.1664 6.6584 6.6584 6.7194 6.7194 7.6209 7.6209 10.0114 10.0114 11.5131 11.5131 11.6481 11.6481 12.7905 12.7905 14.3298 14.3298 14.3569 14.3569 k = 0.5000 0.5000 0.1064 ( 1648 PWs) bands (ev): -38.3018 -38.3018 -17.2921 -17.2921 -16.8244 -16.8244 -16.7281 -16.7281 5.9163 5.9163 6.1797 6.1797 6.6628 6.6628 6.7139 6.7139 7.6213 7.6213 10.0179 10.0179 11.4787 11.4787 11.6120 11.6120 12.8217 12.8217 14.3916 14.3916 14.4206 14.4206 k = 0.5000 0.5000 0.1170 ( 1648 PWs) bands (ev): -38.3016 -38.3016 -17.2926 -17.2926 -16.8241 -16.8241 -16.7303 -16.7303 5.9247 5.9247 6.1933 6.1933 6.6687 6.6687 6.7079 6.7079 7.6218 7.6218 10.0252 10.0252 11.4426 11.4426 11.5741 11.5741 12.8560 12.8560 14.4581 14.4581 14.4890 14.4890 k = 0.5000 0.5000 0.1277 ( 1648 PWs) bands (ev): -38.3013 -38.3013 -17.2931 -17.2931 -16.8238 -16.8238 -16.7327 -16.7327 5.9337 5.9337 6.2070 6.2070 6.6763 6.6763 6.7015 6.7015 7.6223 7.6223 10.0331 10.0331 11.4050 11.4050 11.5349 11.5349 12.8935 12.8935 14.5288 14.5288 14.5616 14.5616 k = 0.5000 0.5000 0.1383 ( 1656 PWs) bands (ev): -38.3010 -38.3010 -17.2937 -17.2937 -16.8235 -16.8235 -16.7353 -16.7353 5.9433 5.9433 6.2199 6.2199 6.6858 6.6858 6.6946 6.6946 7.6229 7.6229 10.0417 10.0417 11.3664 11.3664 11.4946 11.4946 12.9340 12.9340 14.6036 14.6036 14.6382 14.6382 k = 0.5000 0.5000 0.1489 ( 1648 PWs) bands (ev): -38.3008 -38.3008 -17.2942 -17.2942 -16.8231 -16.8231 -16.7379 -16.7379 5.9534 5.9534 6.2326 6.2326 6.6878 6.6878 6.6980 6.6980 7.6236 7.6236 10.0510 10.0510 11.3269 11.3269 11.4536 11.4536 12.9778 12.9778 14.6820 14.6820 14.7184 14.7184 k = 0.5000 0.5000 0.1596 ( 1640 PWs) bands (ev): -38.3004 -38.3004 -17.2948 -17.2948 -16.8228 -16.8228 -16.7406 -16.7406 5.9640 5.9640 6.2442 6.2442 6.6805 6.6805 6.7128 6.7128 7.6243 7.6243 10.0611 10.0611 11.2869 11.2869 11.4121 11.4121 13.0246 13.0246 14.7637 14.7637 14.8020 14.8020 k = 0.5000 0.5000 0.1702 ( 1640 PWs) bands (ev): -38.3001 -38.3001 -17.2955 -17.2955 -16.8224 -16.8224 -16.7435 -16.7435 5.9748 5.9748 6.2542 6.2542 6.6729 6.6729 6.7304 6.7304 7.6249 7.6249 10.0718 10.0718 11.2466 11.2466 11.3703 11.3703 13.0744 13.0744 14.8481 14.8481 14.8887 14.8887 k = 0.5000 0.5000 0.1809 ( 1640 PWs) bands (ev): -38.2998 -38.2998 -17.2962 -17.2962 -16.8220 -16.8220 -16.7465 -16.7465 5.9859 5.9859 6.2627 6.2627 6.6651 6.6651 6.7509 6.7509 7.6257 7.6257 10.0831 10.0831 11.2062 11.2062 11.3286 11.3286 13.1271 13.1271 14.9132 14.9132 14.9407 14.9407 k = 0.5000 0.5000 0.1915 ( 1648 PWs) bands (ev): -38.2994 -38.2994 -17.2970 -17.2970 -16.8217 -16.8217 -16.7496 -16.7496 5.9973 5.9973 6.2693 6.2693 6.6569 6.6569 6.7744 6.7744 7.6263 7.6263 10.0952 10.0952 11.1658 11.1658 11.2869 11.2869 13.1826 13.1826 14.9175 14.9175 15.0289 15.0289 k = 0.5000 0.5000 0.2021 ( 1648 PWs) bands (ev): -38.2991 -38.2991 -17.2978 -17.2978 -16.8213 -16.8213 -16.7528 -16.7528 6.0088 6.0088 6.2743 6.2743 6.6489 6.6489 6.8009 6.8009 7.6271 7.6271 10.1078 10.1078 11.1258 11.1258 11.2456 11.2456 13.2409 13.2409 14.9197 14.9197 15.1220 15.1220 k = 0.5000 0.5000 0.2128 ( 1656 PWs) bands (ev): -38.2987 -38.2987 -17.2986 -17.2986 -16.8209 -16.8209 -16.7560 -16.7560 6.0203 6.0203 6.2776 6.2776 6.6407 6.6407 6.8303 6.8303 7.6279 7.6279 10.1209 10.1209 11.0862 11.0862 11.2048 11.2048 13.3017 13.3017 14.9217 14.9217 15.2177 15.2177 k = 0.5000 0.5000 0.2234 ( 1648 PWs) bands (ev): -38.2984 -38.2984 -17.2994 -17.2994 -16.8205 -16.8205 -16.7591 -16.7591 6.0321 6.0321 6.2797 6.2797 6.6330 6.6330 6.8624 6.8624 7.6287 7.6287 10.1349 10.1349 11.0472 11.0472 11.1647 11.1647 13.3652 13.3652 14.9237 14.9237 15.3157 15.3157 k = 0.5000 0.5000 0.2340 ( 1648 PWs) bands (ev): -38.2980 -38.2980 -17.3003 -17.3003 -16.8201 -16.8201 -16.7624 -16.7624 6.0437 6.0437 6.2801 6.2801 6.6250 6.6250 6.8966 6.8966 7.6296 7.6296 10.1495 10.1495 11.0090 11.0090 11.1253 11.1253 13.4312 13.4312 14.9257 14.9257 15.4158 15.4158 k = 0.5000 0.5000 0.2447 ( 1656 PWs) bands (ev): -38.2976 -38.2976 -17.3012 -17.3012 -16.8197 -16.8197 -16.7657 -16.7657 6.0552 6.0552 6.2790 6.2790 6.6169 6.6169 6.9329 6.9329 7.6304 7.6304 10.1646 10.1646 10.9715 10.9715 11.0867 11.0867 13.4994 13.4994 14.9277 14.9277 15.5178 15.5178 k = 0.5000 0.5000 0.2553 ( 1656 PWs) bands (ev): -38.2972 -38.2972 -17.3021 -17.3021 -16.8192 -16.8192 -16.7689 -16.7689 6.0665 6.0665 6.2771 6.2771 6.6092 6.6092 6.9709 6.9709 7.6313 7.6313 10.1804 10.1804 10.9350 10.9350 11.0491 11.0491 13.5698 13.5698 14.9297 14.9297 15.6217 15.6217 k = 0.5000 0.5000 0.2660 ( 1648 PWs) bands (ev): -38.2969 -38.2969 -17.3030 -17.3030 -16.8188 -16.8188 -16.7720 -16.7720 6.0776 6.0776 6.2744 6.2744 6.6017 6.6017 7.0104 7.0104 7.6322 7.6322 10.1968 10.1968 10.8997 10.8997 11.0127 11.0127 13.6423 13.6423 14.9317 14.9317 15.7274 15.7274 k = 0.5000 0.5000 0.2766 ( 1656 PWs) bands (ev): -38.2965 -38.2965 -17.3040 -17.3040 -16.8184 -16.8184 -16.7752 -16.7752 6.0884 6.0884 6.2707 6.2707 6.5944 6.5944 7.0506 7.0506 7.6331 7.6331 10.2135 10.2135 10.8654 10.8654 10.9772 10.9772 13.7164 13.7164 14.9336 14.9336 15.8345 15.8345 k = 0.5000 0.5000 0.2872 ( 1648 PWs) bands (ev): -38.2961 -38.2961 -17.3049 -17.3049 -16.8179 -16.8179 -16.7783 -16.7783 6.0990 6.0990 6.2667 6.2667 6.5875 6.5875 7.0920 7.0920 7.6342 7.6342 10.2308 10.2308 10.8325 10.8325 10.9431 10.9431 13.7921 13.7921 14.9356 14.9356 15.9430 15.9430 k = 0.5000 0.5000 0.2979 ( 1644 PWs) bands (ev): -38.2958 -38.2958 -17.3058 -17.3058 -16.8175 -16.8175 -16.7813 -16.7813 6.1090 6.1090 6.2621 6.2621 6.5809 6.5809 7.1338 7.1338 7.6351 7.6351 10.2485 10.2485 10.8010 10.8010 10.9103 10.9103 13.8691 13.8691 14.9375 14.9375 16.0526 16.0526 k = 0.5000 0.5000 0.3085 ( 1644 PWs) bands (ev): -38.2954 -38.2954 -17.3067 -17.3067 -16.8171 -16.8171 -16.7843 -16.7843 6.1185 6.1185 6.2572 6.2572 6.5747 6.5747 7.1756 7.1756 7.6360 7.6360 10.2664 10.2664 10.7709 10.7709 10.8788 10.8788 13.9471 13.9471 14.9394 14.9394 16.1632 16.1632 k = 0.5000 0.5000 0.3191 ( 1644 PWs) bands (ev): -38.2951 -38.2951 -17.3076 -17.3076 -16.8167 -16.8167 -16.7871 -16.7871 6.1275 6.1275 6.2521 6.2521 6.5689 6.5689 7.2172 7.2172 7.6369 7.6369 10.2845 10.2845 10.7424 10.7424 10.8487 10.8487 14.0258 14.0258 14.9412 14.9412 16.2733 16.2733 k = 0.5000 0.5000 0.3298 ( 1644 PWs) bands (ev): -38.2947 -38.2947 -17.3085 -17.3085 -16.8163 -16.8163 -16.7899 -16.7899 6.1359 6.1359 6.2469 6.2469 6.5636 6.5636 7.2583 7.2583 7.6378 7.6378 10.3026 10.3026 10.7155 10.7155 10.8200 10.8200 14.1048 14.1048 14.9430 14.9430 16.3305 16.3305 k = 0.5000 0.5000 0.3404 ( 1644 PWs) bands (ev): -38.2944 -38.2944 -17.3094 -17.3094 -16.8160 -16.8160 -16.7925 -16.7925 6.1438 6.1438 6.2416 6.2416 6.5587 6.5587 7.2986 7.2986 7.6386 7.6386 10.3206 10.3206 10.6905 10.6905 10.7929 10.7929 14.1837 14.1837 14.9447 14.9447 16.2494 16.2494 k = 0.5000 0.5000 0.3511 ( 1628 PWs) bands (ev): -38.2941 -38.2941 -17.3102 -17.3102 -16.8155 -16.8155 -16.7949 -16.7949 6.1513 6.1513 6.2367 6.2367 6.5546 6.5546 7.3379 7.3379 7.6397 7.6397 10.3384 10.3384 10.6675 10.6675 10.7674 10.7674 14.2621 14.2621 14.9463 14.9463 16.1638 16.1638 k = 0.5000 0.5000 0.3617 ( 1628 PWs) bands (ev): -38.2938 -38.2938 -17.3111 -17.3111 -16.8152 -16.8152 -16.7973 -16.7973 6.1579 6.1579 6.2316 6.2316 6.5506 6.5506 7.3758 7.3758 7.6405 7.6405 10.3554 10.3554 10.6465 10.6465 10.7435 10.7435 14.3395 14.3395 14.9479 14.9479 16.0796 16.0796 k = 0.5000 0.5000 0.3723 ( 1632 PWs) bands (ev): -38.2935 -38.2935 -17.3119 -17.3119 -16.8149 -16.8149 -16.7996 -16.7996 6.1638 6.1638 6.2265 6.2265 6.5471 6.5471 7.4121 7.4121 7.6413 7.6413 10.3714 10.3714 10.6278 10.6278 10.7210 10.7210 14.4153 14.4153 14.9493 14.9493 15.9977 15.9977 k = 0.5000 0.5000 0.3830 ( 1632 PWs) bands (ev): -38.2933 -38.2933 -17.3126 -17.3126 -16.8146 -16.8146 -16.8016 -16.8016 6.1691 6.1691 6.2218 6.2218 6.5440 6.5440 7.4466 7.4466 7.6420 7.6420 10.3860 10.3860 10.6118 10.6118 10.7004 10.7004 14.4890 14.4890 14.9507 14.9507 15.9190 15.9190 k = 0.5000 0.5000 0.3936 ( 1632 PWs) bands (ev): -38.2930 -38.2930 -17.3134 -17.3134 -16.8143 -16.8143 -16.8036 -16.8036 6.1739 6.1739 6.2173 6.2173 6.5414 6.5414 7.4790 7.4790 7.6426 7.6426 10.3989 10.3989 10.5986 10.5986 10.6814 10.6814 14.5599 14.5599 14.9520 14.9520 15.8443 15.8443 k = 0.5000 0.5000 0.4043 ( 1648 PWs) bands (ev): -38.2928 -38.2928 -17.3141 -17.3141 -16.8142 -16.8142 -16.8054 -16.8054 6.1779 6.1779 6.2128 6.2128 6.5389 6.5389 7.5090 7.5090 7.6431 7.6431 10.4093 10.4093 10.5884 10.5884 10.6639 10.6639 14.6273 14.6273 14.9532 14.9532 15.7742 15.7742 k = 0.5000 0.5000 0.4149 ( 1652 PWs) bands (ev): -38.2926 -38.2926 -17.3147 -17.3147 -16.8139 -16.8139 -16.8070 -16.8070 6.1815 6.1815 6.2089 6.2089 6.5371 6.5371 7.5365 7.5365 7.6436 7.6436 10.4173 10.4173 10.5818 10.5818 10.6483 10.6483 14.6906 14.6906 14.9542 14.9542 15.7093 15.7093 k = 0.5000 0.5000 0.4255 ( 1640 PWs) bands (ev): -38.2924 -38.2924 -17.3152 -17.3152 -16.8137 -16.8137 -16.8083 -16.8083 6.1847 6.1847 6.2057 6.2057 6.5357 6.5357 7.5616 7.5616 7.6441 7.6441 10.4225 10.4225 10.5785 10.5785 10.6347 10.6347 14.7489 14.7489 14.9552 14.9552 15.6504 15.6504 k = 0.5000 0.5000 0.4362 ( 1640 PWs) bands (ev): -38.2923 -38.2923 -17.3157 -17.3157 -16.8135 -16.8135 -16.8096 -16.8096 6.1873 6.1873 6.2026 6.2026 6.5345 6.5345 7.5835 7.5835 7.6446 7.6446 10.4252 10.4252 10.5779 10.5779 10.6228 10.6228 14.8015 14.8015 14.9560 14.9560 15.5981 15.5981 k = 0.5000 0.5000 0.4468 ( 1640 PWs) bands (ev): -38.2921 -38.2921 -17.3161 -17.3161 -16.8134 -16.8134 -16.8106 -16.8106 6.1894 6.1894 6.2000 6.2000 6.5336 6.5336 7.6022 7.6022 7.6449 7.6449 10.4260 10.4260 10.5793 10.5793 10.6127 10.6127 14.8476 14.8476 14.9568 14.9568 15.5527 15.5527 k = 0.5000 0.5000 0.4574 ( 1640 PWs) bands (ev): -38.2920 -38.2920 -17.3165 -17.3165 -16.8133 -16.8133 -16.8115 -16.8115 6.1911 6.1911 6.1979 6.1979 6.5328 6.5328 7.6178 7.6178 7.6452 7.6452 10.4256 10.4256 10.5819 10.5819 10.6044 10.6044 14.8865 14.8865 14.9573 14.9573 15.5150 15.5150 k = 0.5000 0.5000 0.4681 ( 1640 PWs) bands (ev): -38.2919 -38.2919 -17.3167 -17.3167 -16.8132 -16.8132 -16.8122 -16.8122 6.1923 6.1923 6.1962 6.1962 6.5323 6.5323 7.6300 7.6300 7.6455 7.6455 10.4246 10.4246 10.5848 10.5848 10.5979 10.5979 14.9175 14.9175 14.9578 14.9578 15.4851 15.4851 k = 0.5000 0.5000 0.4787 ( 1640 PWs) bands (ev): -38.2919 -38.2919 -17.3169 -17.3169 -16.8131 -16.8131 -16.8126 -16.8126 6.1932 6.1932 6.1949 6.1949 6.5320 6.5320 7.6387 7.6387 7.6457 7.6457 10.4235 10.4235 10.5873 10.5873 10.5933 10.5933 14.9401 14.9401 14.9581 14.9581 15.4636 15.4636 k = 0.5000 0.5000 0.4894 ( 1640 PWs) bands (ev): -38.2918 -38.2918 -17.3170 -17.3170 -16.8130 -16.8130 -16.8129 -16.8129 6.1938 6.1938 6.1942 6.1942 6.5317 6.5317 7.6440 7.6440 7.6458 7.6458 10.4227 10.4227 10.5890 10.5890 10.5905 10.5905 14.9538 14.9538 14.9583 14.9583 15.4506 15.4506 k = 0.5000 0.5000 0.5000 ( 1640 PWs) bands (ev): -38.2918 -38.2918 -17.3171 -17.3171 -16.8130 -16.8130 -16.8130 -16.8130 6.1939 6.1939 6.1939 6.1939 6.5317 6.5317 7.6458 7.6458 7.6458 7.6458 10.4224 10.4224 10.5896 10.5896 10.5896 10.5896 14.9584 14.9584 14.9584 14.9584 15.4462 15.4462 Writing output data file ScAg.save init_run : 0.16s CPU 0.26s WALL ( 1 calls) electrons : 42.04s CPU 43.31s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.02s WALL ( 1 calls) Called by electrons: c_bands : 42.04s CPU 43.30s 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 : 0.04s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.02s WALL ( 359 calls) cegterg : 38.25s CPU 39.16s WALL ( 359 calls) Called by sum_band: Called by *egterg: h_psi : 18.46s CPU 19.65s WALL ( 5453 calls) s_psi : 0.99s CPU 0.99s WALL ( 5453 calls) g_psi : 0.05s CPU 0.05s WALL ( 4735 calls) cdiaghg : 18.49s CPU 18.17s WALL ( 5094 calls) cegterg:over : 1.31s CPU 1.36s WALL ( 4735 calls) cegterg:upda : 0.88s CPU 0.91s WALL ( 4735 calls) cegterg:last : 0.42s CPU 0.53s WALL ( 1086 calls) cdiaghg:chol : 0.86s CPU 0.91s WALL ( 5094 calls) cdiaghg:inve : 0.46s CPU 0.46s WALL ( 5094 calls) cdiaghg:para : 1.06s CPU 1.05s WALL ( 10188 calls) Called by h_psi: h_psi:vloc : 16.16s CPU 17.36s WALL ( 5453 calls) h_psi:vnl : 2.27s CPU 2.27s WALL ( 5453 calls) add_vuspsi : 1.35s CPU 1.32s WALL ( 5453 calls) General routines calbec : 0.91s CPU 0.94s WALL ( 5453 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 14.97s CPU 16.03s WALL ( 440344 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.09s CPU 0.08s WALL ( 718 calls) Parallel routines fft_scatter : 7.64s CPU 8.51s WALL ( 440367 calls) PWSCF : 50.10s CPU 59.26s WALL This run was terminated on: 18:25:18 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=