Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 13:35:14 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: ./ScAu.save/ file Sc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 3P 3P renormalized file Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D 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 37 18 5 1055 348 59 Max 38 19 6 1060 363 64 Sum 1361 665 213 38089 12797 2205 bravais-lattice index = 14 lattice parameter (alat) = 6.3684 a.u. unit-cell volume = 258.2773 (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 = 424.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.368377 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 Au read from file: /users/gautes/Pseudo/Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d39daeb1f194fdf5670f47ad6d8ea3dd 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 1279 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) Au 11.00 196.96660 Au( 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= 360 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027778 k( 2) = ( 0.0000000 0.0106383 -0.0000000), wk = 0.0027778 k( 3) = ( 0.0000000 0.0212766 -0.0000000), wk = 0.0027778 k( 4) = ( 0.0000000 0.0319149 -0.0000000), wk = 0.0027778 k( 5) = ( 0.0000000 0.0425532 -0.0000000), wk = 0.0027778 k( 6) = ( 0.0000000 0.0531915 -0.0000000), wk = 0.0027778 k( 7) = ( 0.0000000 0.0638298 -0.0000000), wk = 0.0027778 k( 8) = ( 0.0000000 0.0744681 -0.0000000), wk = 0.0027778 k( 9) = ( 0.0000000 0.0851064 -0.0000000), wk = 0.0027778 k( 10) = ( 0.0000000 0.0957447 -0.0000000), wk = 0.0027778 k( 11) = ( 0.0000000 0.1063830 -0.0000000), wk = 0.0027778 k( 12) = ( 0.0000000 0.1170213 -0.0000000), wk = 0.0027778 k( 13) = ( 0.0000000 0.1276596 -0.0000000), wk = 0.0027778 k( 14) = ( 0.0000000 0.1382979 -0.0000000), wk = 0.0027778 k( 15) = ( 0.0000000 0.1489362 -0.0000000), wk = 0.0027778 k( 16) = ( 0.0000000 0.1595745 -0.0000000), wk = 0.0027778 k( 17) = ( 0.0000000 0.1702128 -0.0000000), wk = 0.0027778 k( 18) = ( 0.0000000 0.1808511 -0.0000000), wk = 0.0027778 k( 19) = ( 0.0000000 0.1914894 -0.0000000), wk = 0.0027778 k( 20) = ( 0.0000000 0.2021277 -0.0000000), wk = 0.0027778 k( 21) = ( 0.0000000 0.2127660 -0.0000000), wk = 0.0027778 k( 22) = ( 0.0000000 0.2234043 -0.0000000), wk = 0.0027778 k( 23) = ( 0.0000000 0.2340425 -0.0000000), wk = 0.0027778 k( 24) = ( 0.0000000 0.2446809 -0.0000000), wk = 0.0027778 k( 25) = ( 0.0000000 0.2553191 -0.0000000), wk = 0.0027778 k( 26) = ( 0.0000000 0.2659574 -0.0000000), wk = 0.0027778 k( 27) = ( 0.0000000 0.2765957 -0.0000000), wk = 0.0027778 k( 28) = ( 0.0000000 0.2872340 -0.0000000), wk = 0.0027778 k( 29) = ( 0.0000000 0.2978723 -0.0000000), wk = 0.0027778 k( 30) = ( 0.0000000 0.3085106 -0.0000000), wk = 0.0027778 k( 31) = ( 0.0000000 0.3191489 -0.0000000), wk = 0.0027778 k( 32) = ( 0.0000000 0.3297872 -0.0000000), wk = 0.0027778 k( 33) = ( 0.0000000 0.3404255 -0.0000000), wk = 0.0027778 k( 34) = ( 0.0000000 0.3510638 -0.0000000), wk = 0.0027778 k( 35) = ( 0.0000000 0.3617021 -0.0000000), wk = 0.0027778 k( 36) = ( 0.0000000 0.3723404 -0.0000000), wk = 0.0027778 k( 37) = ( 0.0000000 0.3829787 -0.0000000), wk = 0.0027778 k( 38) = ( 0.0000000 0.3936170 -0.0000000), wk = 0.0027778 k( 39) = ( 0.0000000 0.4042553 -0.0000000), wk = 0.0027778 k( 40) = ( 0.0000000 0.4148936 -0.0000000), wk = 0.0027778 k( 41) = ( 0.0000000 0.4255319 -0.0000000), wk = 0.0027778 k( 42) = ( 0.0000000 0.4361702 -0.0000000), wk = 0.0027778 k( 43) = ( 0.0000000 0.4468085 -0.0000000), wk = 0.0027778 k( 44) = ( 0.0000000 0.4574468 -0.0000000), wk = 0.0027778 k( 45) = ( 0.0000000 0.4680851 -0.0000000), wk = 0.0027778 k( 46) = ( 0.0000000 0.4787234 -0.0000000), wk = 0.0027778 k( 47) = ( 0.0000000 0.4893617 -0.0000000), wk = 0.0027778 k( 48) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027778 k( 49) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027778 k( 50) = ( 0.0106383 0.5000000 -0.0000000), wk = 0.0027778 k( 51) = ( 0.0212766 0.5000000 -0.0000000), wk = 0.0027778 k( 52) = ( 0.0319149 0.5000000 -0.0000000), wk = 0.0027778 k( 53) = ( 0.0425532 0.5000000 -0.0000000), wk = 0.0027778 k( 54) = ( 0.0531915 0.5000000 -0.0000000), wk = 0.0027778 k( 55) = ( 0.0638298 0.5000000 -0.0000000), wk = 0.0027778 k( 56) = ( 0.0744681 0.5000000 -0.0000000), wk = 0.0027778 k( 57) = ( 0.0851064 0.5000000 -0.0000000), wk = 0.0027778 k( 58) = ( 0.0957447 0.5000000 -0.0000000), wk = 0.0027778 k( 59) = ( 0.1063830 0.5000000 -0.0000000), wk = 0.0027778 k( 60) = ( 0.1170213 0.5000000 -0.0000000), wk = 0.0027778 k( 61) = ( 0.1276596 0.5000000 -0.0000000), wk = 0.0027778 k( 62) = ( 0.1382979 0.5000000 -0.0000000), wk = 0.0027778 k( 63) = ( 0.1489362 0.5000000 -0.0000000), wk = 0.0027778 k( 64) = ( 0.1595745 0.5000000 -0.0000000), wk = 0.0027778 k( 65) = ( 0.1702128 0.5000000 -0.0000000), wk = 0.0027778 k( 66) = ( 0.1808511 0.5000000 -0.0000000), wk = 0.0027778 k( 67) = ( 0.1914894 0.5000000 -0.0000000), wk = 0.0027778 k( 68) = ( 0.2021277 0.5000000 -0.0000000), wk = 0.0027778 k( 69) = ( 0.2127660 0.5000000 -0.0000000), wk = 0.0027778 k( 70) = ( 0.2234043 0.5000000 -0.0000000), wk = 0.0027778 k( 71) = ( 0.2340425 0.5000000 -0.0000000), wk = 0.0027778 k( 72) = ( 0.2446809 0.5000000 -0.0000000), wk = 0.0027778 k( 73) = ( 0.2553191 0.5000000 -0.0000000), wk = 0.0027778 k( 74) = ( 0.2659574 0.5000000 -0.0000000), wk = 0.0027778 k( 75) = ( 0.2765957 0.5000000 -0.0000000), wk = 0.0027778 k( 76) = ( 0.2872340 0.5000000 -0.0000000), wk = 0.0027778 k( 77) = ( 0.2978723 0.5000000 -0.0000000), wk = 0.0027778 k( 78) = ( 0.3085106 0.5000000 -0.0000000), wk = 0.0027778 k( 79) = ( 0.3191489 0.5000000 -0.0000000), wk = 0.0027778 k( 80) = ( 0.3297872 0.5000000 -0.0000000), wk = 0.0027778 k( 81) = ( 0.3404255 0.5000000 -0.0000000), wk = 0.0027778 k( 82) = ( 0.3510638 0.5000000 -0.0000000), wk = 0.0027778 k( 83) = ( 0.3617021 0.5000000 -0.0000000), wk = 0.0027778 k( 84) = ( 0.3723404 0.5000000 -0.0000000), wk = 0.0027778 k( 85) = ( 0.3829787 0.5000000 -0.0000000), wk = 0.0027778 k( 86) = ( 0.3936170 0.5000000 -0.0000000), wk = 0.0027778 k( 87) = ( 0.4042553 0.5000000 -0.0000000), wk = 0.0027778 k( 88) = ( 0.4148936 0.5000000 -0.0000000), wk = 0.0027778 k( 89) = ( 0.4255319 0.5000000 -0.0000000), wk = 0.0027778 k( 90) = ( 0.4361702 0.5000000 -0.0000000), wk = 0.0027778 k( 91) = ( 0.4468085 0.5000000 -0.0000000), wk = 0.0027778 k( 92) = ( 0.4574468 0.5000000 -0.0000000), wk = 0.0027778 k( 93) = ( 0.4680851 0.5000000 -0.0000000), wk = 0.0027778 k( 94) = ( 0.4787234 0.5000000 -0.0000000), wk = 0.0027778 k( 95) = ( 0.4893617 0.5000000 -0.0000000), wk = 0.0027778 k( 96) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027778 k( 97) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027778 k( 98) = ( 0.4924242 0.4924242 -0.0000000), wk = 0.0027778 k( 99) = ( 0.4848485 0.4848485 -0.0000000), wk = 0.0027778 k( 100) = ( 0.4772727 0.4772727 -0.0000000), wk = 0.0027778 k( 101) = ( 0.4696970 0.4696970 -0.0000000), wk = 0.0027778 k( 102) = ( 0.4621212 0.4621212 -0.0000000), wk = 0.0027778 k( 103) = ( 0.4545455 0.4545454 -0.0000000), wk = 0.0027778 k( 104) = ( 0.4469697 0.4469697 -0.0000000), wk = 0.0027778 k( 105) = ( 0.4393939 0.4393939 -0.0000000), wk = 0.0027778 k( 106) = ( 0.4318182 0.4318182 -0.0000000), wk = 0.0027778 k( 107) = ( 0.4242424 0.4242424 -0.0000000), wk = 0.0027778 k( 108) = ( 0.4166667 0.4166667 -0.0000000), wk = 0.0027778 k( 109) = ( 0.4090909 0.4090909 -0.0000000), wk = 0.0027778 k( 110) = ( 0.4015151 0.4015151 -0.0000000), wk = 0.0027778 k( 111) = ( 0.3939394 0.3939394 -0.0000000), wk = 0.0027778 k( 112) = ( 0.3863636 0.3863636 -0.0000000), wk = 0.0027778 k( 113) = ( 0.3787879 0.3787879 -0.0000000), wk = 0.0027778 k( 114) = ( 0.3712121 0.3712121 -0.0000000), wk = 0.0027778 k( 115) = ( 0.3636364 0.3636364 -0.0000000), wk = 0.0027778 k( 116) = ( 0.3560606 0.3560606 -0.0000000), wk = 0.0027778 k( 117) = ( 0.3484849 0.3484848 -0.0000000), wk = 0.0027778 k( 118) = ( 0.3409091 0.3409091 -0.0000000), wk = 0.0027778 k( 119) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0027778 k( 120) = ( 0.3257576 0.3257576 -0.0000000), wk = 0.0027778 k( 121) = ( 0.3181818 0.3181818 -0.0000000), wk = 0.0027778 k( 122) = ( 0.3106061 0.3106061 -0.0000000), wk = 0.0027778 k( 123) = ( 0.3030303 0.3030303 -0.0000000), wk = 0.0027778 k( 124) = ( 0.2954545 0.2954545 -0.0000000), wk = 0.0027778 k( 125) = ( 0.2878788 0.2878788 -0.0000000), wk = 0.0027778 k( 126) = ( 0.2803030 0.2803030 -0.0000000), wk = 0.0027778 k( 127) = ( 0.2727273 0.2727273 -0.0000000), wk = 0.0027778 k( 128) = ( 0.2651515 0.2651515 -0.0000000), wk = 0.0027778 k( 129) = ( 0.2575758 0.2575758 -0.0000000), wk = 0.0027778 k( 130) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0027778 k( 131) = ( 0.2424242 0.2424242 -0.0000000), wk = 0.0027778 k( 132) = ( 0.2348485 0.2348485 -0.0000000), wk = 0.0027778 k( 133) = ( 0.2272727 0.2272727 -0.0000000), wk = 0.0027778 k( 134) = ( 0.2196970 0.2196970 -0.0000000), wk = 0.0027778 k( 135) = ( 0.2121212 0.2121212 -0.0000000), wk = 0.0027778 k( 136) = ( 0.2045454 0.2045454 -0.0000000), wk = 0.0027778 k( 137) = ( 0.1969697 0.1969697 -0.0000000), wk = 0.0027778 k( 138) = ( 0.1893939 0.1893939 -0.0000000), wk = 0.0027778 k( 139) = ( 0.1818182 0.1818182 -0.0000000), wk = 0.0027778 k( 140) = ( 0.1742424 0.1742424 -0.0000000), wk = 0.0027778 k( 141) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0027778 k( 142) = ( 0.1590909 0.1590909 -0.0000000), wk = 0.0027778 k( 143) = ( 0.1515151 0.1515151 -0.0000000), wk = 0.0027778 k( 144) = ( 0.1439394 0.1439394 -0.0000000), wk = 0.0027778 k( 145) = ( 0.1363636 0.1363636 -0.0000000), wk = 0.0027778 k( 146) = ( 0.1287879 0.1287879 -0.0000000), wk = 0.0027778 k( 147) = ( 0.1212121 0.1212121 -0.0000000), wk = 0.0027778 k( 148) = ( 0.1136364 0.1136364 -0.0000000), wk = 0.0027778 k( 149) = ( 0.1060606 0.1060606 -0.0000000), wk = 0.0027778 k( 150) = ( 0.0984848 0.0984848 -0.0000000), wk = 0.0027778 k( 151) = ( 0.0909091 0.0909091 -0.0000000), wk = 0.0027778 k( 152) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0027778 k( 153) = ( 0.0757576 0.0757576 -0.0000000), wk = 0.0027778 k( 154) = ( 0.0681818 0.0681818 -0.0000000), wk = 0.0027778 k( 155) = ( 0.0606061 0.0606061 -0.0000000), wk = 0.0027778 k( 156) = ( 0.0530303 0.0530303 -0.0000000), wk = 0.0027778 k( 157) = ( 0.0454546 0.0454545 -0.0000000), wk = 0.0027778 k( 158) = ( 0.0378788 0.0378788 -0.0000000), wk = 0.0027778 k( 159) = ( 0.0303030 0.0303030 -0.0000000), wk = 0.0027778 k( 160) = ( 0.0227273 0.0227273 -0.0000000), wk = 0.0027778 k( 161) = ( 0.0151515 0.0151515 -0.0000000), wk = 0.0027778 k( 162) = ( 0.0075758 0.0075758 -0.0000000), wk = 0.0027778 k( 163) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027778 k( 164) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027778 k( 165) = ( 0.0061728 0.0061728 0.0061728), wk = 0.0027778 k( 166) = ( 0.0123457 0.0123457 0.0123457), wk = 0.0027778 k( 167) = ( 0.0185185 0.0185185 0.0185185), wk = 0.0027778 k( 168) = ( 0.0246914 0.0246914 0.0246914), wk = 0.0027778 k( 169) = ( 0.0308642 0.0308642 0.0308642), wk = 0.0027778 k( 170) = ( 0.0370370 0.0370370 0.0370370), wk = 0.0027778 k( 171) = ( 0.0432099 0.0432099 0.0432099), wk = 0.0027778 k( 172) = ( 0.0493827 0.0493827 0.0493827), wk = 0.0027778 k( 173) = ( 0.0555556 0.0555556 0.0555556), wk = 0.0027778 k( 174) = ( 0.0617284 0.0617284 0.0617284), wk = 0.0027778 k( 175) = ( 0.0679012 0.0679012 0.0679012), wk = 0.0027778 k( 176) = ( 0.0740741 0.0740741 0.0740741), wk = 0.0027778 k( 177) = ( 0.0802469 0.0802469 0.0802469), wk = 0.0027778 k( 178) = ( 0.0864198 0.0864197 0.0864197), wk = 0.0027778 k( 179) = ( 0.0925926 0.0925926 0.0925926), wk = 0.0027778 k( 180) = ( 0.0987654 0.0987654 0.0987654), wk = 0.0027778 k( 181) = ( 0.1049383 0.1049383 0.1049383), wk = 0.0027778 k( 182) = ( 0.1111111 0.1111111 0.1111111), wk = 0.0027778 k( 183) = ( 0.1172839 0.1172839 0.1172839), wk = 0.0027778 k( 184) = ( 0.1234568 0.1234568 0.1234568), wk = 0.0027778 k( 185) = ( 0.1296296 0.1296296 0.1296296), wk = 0.0027778 k( 186) = ( 0.1358025 0.1358025 0.1358025), wk = 0.0027778 k( 187) = ( 0.1419753 0.1419753 0.1419753), wk = 0.0027778 k( 188) = ( 0.1481482 0.1481481 0.1481481), wk = 0.0027778 k( 189) = ( 0.1543210 0.1543210 0.1543210), wk = 0.0027778 k( 190) = ( 0.1604938 0.1604938 0.1604938), wk = 0.0027778 k( 191) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0027778 k( 192) = ( 0.1728395 0.1728395 0.1728395), wk = 0.0027778 k( 193) = ( 0.1790123 0.1790123 0.1790123), wk = 0.0027778 k( 194) = ( 0.1851852 0.1851852 0.1851852), wk = 0.0027778 k( 195) = ( 0.1913580 0.1913580 0.1913580), wk = 0.0027778 k( 196) = ( 0.1975309 0.1975309 0.1975309), wk = 0.0027778 k( 197) = ( 0.2037037 0.2037037 0.2037037), wk = 0.0027778 k( 198) = ( 0.2098765 0.2098765 0.2098765), wk = 0.0027778 k( 199) = ( 0.2160494 0.2160494 0.2160494), wk = 0.0027778 k( 200) = ( 0.2222222 0.2222222 0.2222222), wk = 0.0027778 k( 201) = ( 0.2283951 0.2283951 0.2283951), wk = 0.0027778 k( 202) = ( 0.2345679 0.2345679 0.2345679), wk = 0.0027778 k( 203) = ( 0.2407407 0.2407407 0.2407407), wk = 0.0027778 k( 204) = ( 0.2469136 0.2469136 0.2469136), wk = 0.0027778 k( 205) = ( 0.2530864 0.2530864 0.2530864), wk = 0.0027778 k( 206) = ( 0.2592593 0.2592593 0.2592593), wk = 0.0027778 k( 207) = ( 0.2654321 0.2654321 0.2654321), wk = 0.0027778 k( 208) = ( 0.2716049 0.2716049 0.2716049), wk = 0.0027778 k( 209) = ( 0.2777778 0.2777778 0.2777778), wk = 0.0027778 k( 210) = ( 0.2839506 0.2839506 0.2839506), wk = 0.0027778 k( 211) = ( 0.2901235 0.2901235 0.2901235), wk = 0.0027778 k( 212) = ( 0.2962963 0.2962963 0.2962963), wk = 0.0027778 k( 213) = ( 0.3024691 0.3024691 0.3024691), wk = 0.0027778 k( 214) = ( 0.3086420 0.3086420 0.3086420), wk = 0.0027778 k( 215) = ( 0.3148148 0.3148148 0.3148148), wk = 0.0027778 k( 216) = ( 0.3209877 0.3209876 0.3209876), wk = 0.0027778 k( 217) = ( 0.3271605 0.3271605 0.3271605), wk = 0.0027778 k( 218) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0027778 k( 219) = ( 0.3395062 0.3395062 0.3395062), wk = 0.0027778 k( 220) = ( 0.3456790 0.3456790 0.3456790), wk = 0.0027778 k( 221) = ( 0.3518519 0.3518518 0.3518518), wk = 0.0027778 k( 222) = ( 0.3580247 0.3580247 0.3580247), wk = 0.0027778 k( 223) = ( 0.3641975 0.3641975 0.3641975), wk = 0.0027778 k( 224) = ( 0.3703704 0.3703704 0.3703704), wk = 0.0027778 k( 225) = ( 0.3765432 0.3765432 0.3765432), wk = 0.0027778 k( 226) = ( 0.3827160 0.3827160 0.3827160), wk = 0.0027778 k( 227) = ( 0.3888889 0.3888889 0.3888889), wk = 0.0027778 k( 228) = ( 0.3950617 0.3950617 0.3950617), wk = 0.0027778 k( 229) = ( 0.4012346 0.4012346 0.4012346), wk = 0.0027778 k( 230) = ( 0.4074074 0.4074074 0.4074074), wk = 0.0027778 k( 231) = ( 0.4135802 0.4135802 0.4135802), wk = 0.0027778 k( 232) = ( 0.4197531 0.4197531 0.4197531), wk = 0.0027778 k( 233) = ( 0.4259259 0.4259259 0.4259259), wk = 0.0027778 k( 234) = ( 0.4320988 0.4320988 0.4320988), wk = 0.0027778 k( 235) = ( 0.4382716 0.4382716 0.4382716), wk = 0.0027778 k( 236) = ( 0.4444444 0.4444444 0.4444444), wk = 0.0027778 k( 237) = ( 0.4506173 0.4506173 0.4506173), wk = 0.0027778 k( 238) = ( 0.4567901 0.4567901 0.4567901), wk = 0.0027778 k( 239) = ( 0.4629630 0.4629630 0.4629630), wk = 0.0027778 k( 240) = ( 0.4691358 0.4691358 0.4691358), wk = 0.0027778 k( 241) = ( 0.4753086 0.4753086 0.4753086), wk = 0.0027778 k( 242) = ( 0.4814815 0.4814815 0.4814815), wk = 0.0027778 k( 243) = ( 0.4876543 0.4876543 0.4876543), wk = 0.0027778 k( 244) = ( 0.4938272 0.4938272 0.4938272), wk = 0.0027778 k( 245) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027778 k( 246) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027778 k( 247) = ( 0.4924242 0.5000000 0.4924242), wk = 0.0027778 k( 248) = ( 0.4848485 0.5000000 0.4848485), wk = 0.0027778 k( 249) = ( 0.4772727 0.5000000 0.4772727), wk = 0.0027778 k( 250) = ( 0.4696970 0.5000000 0.4696970), wk = 0.0027778 k( 251) = ( 0.4621212 0.5000000 0.4621212), wk = 0.0027778 k( 252) = ( 0.4545455 0.5000000 0.4545454), wk = 0.0027778 k( 253) = ( 0.4469697 0.5000000 0.4469697), wk = 0.0027778 k( 254) = ( 0.4393939 0.5000000 0.4393939), wk = 0.0027778 k( 255) = ( 0.4318182 0.5000000 0.4318182), wk = 0.0027778 k( 256) = ( 0.4242424 0.5000000 0.4242424), wk = 0.0027778 k( 257) = ( 0.4166667 0.5000000 0.4166667), wk = 0.0027778 k( 258) = ( 0.4090909 0.5000000 0.4090909), wk = 0.0027778 k( 259) = ( 0.4015151 0.5000000 0.4015151), wk = 0.0027778 k( 260) = ( 0.3939394 0.5000000 0.3939394), wk = 0.0027778 k( 261) = ( 0.3863636 0.5000000 0.3863636), wk = 0.0027778 k( 262) = ( 0.3787879 0.5000000 0.3787879), wk = 0.0027778 k( 263) = ( 0.3712121 0.5000000 0.3712121), wk = 0.0027778 k( 264) = ( 0.3636364 0.5000000 0.3636364), wk = 0.0027778 k( 265) = ( 0.3560606 0.5000000 0.3560606), wk = 0.0027778 k( 266) = ( 0.3484849 0.5000000 0.3484848), wk = 0.0027778 k( 267) = ( 0.3409091 0.5000000 0.3409091), wk = 0.0027778 k( 268) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0027778 k( 269) = ( 0.3257576 0.5000000 0.3257576), wk = 0.0027778 k( 270) = ( 0.3181818 0.5000000 0.3181818), wk = 0.0027778 k( 271) = ( 0.3106061 0.5000000 0.3106061), wk = 0.0027778 k( 272) = ( 0.3030303 0.5000000 0.3030303), wk = 0.0027778 k( 273) = ( 0.2954545 0.5000000 0.2954545), wk = 0.0027778 k( 274) = ( 0.2878788 0.5000000 0.2878788), wk = 0.0027778 k( 275) = ( 0.2803030 0.5000000 0.2803030), wk = 0.0027778 k( 276) = ( 0.2727273 0.5000000 0.2727273), wk = 0.0027778 k( 277) = ( 0.2651515 0.5000000 0.2651515), wk = 0.0027778 k( 278) = ( 0.2575758 0.5000000 0.2575758), wk = 0.0027778 k( 279) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0027778 k( 280) = ( 0.2424242 0.5000000 0.2424242), wk = 0.0027778 k( 281) = ( 0.2348485 0.5000000 0.2348485), wk = 0.0027778 k( 282) = ( 0.2272727 0.5000000 0.2272727), wk = 0.0027778 k( 283) = ( 0.2196970 0.5000000 0.2196970), wk = 0.0027778 k( 284) = ( 0.2121212 0.5000000 0.2121212), wk = 0.0027778 k( 285) = ( 0.2045454 0.5000000 0.2045454), wk = 0.0027778 k( 286) = ( 0.1969697 0.5000000 0.1969697), wk = 0.0027778 k( 287) = ( 0.1893939 0.5000000 0.1893939), wk = 0.0027778 k( 288) = ( 0.1818182 0.5000000 0.1818182), wk = 0.0027778 k( 289) = ( 0.1742424 0.5000000 0.1742424), wk = 0.0027778 k( 290) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0027778 k( 291) = ( 0.1590909 0.5000000 0.1590909), wk = 0.0027778 k( 292) = ( 0.1515151 0.5000000 0.1515151), wk = 0.0027778 k( 293) = ( 0.1439394 0.5000000 0.1439394), wk = 0.0027778 k( 294) = ( 0.1363636 0.5000000 0.1363636), wk = 0.0027778 k( 295) = ( 0.1287879 0.5000000 0.1287879), wk = 0.0027778 k( 296) = ( 0.1212121 0.5000000 0.1212121), wk = 0.0027778 k( 297) = ( 0.1136364 0.5000000 0.1136364), wk = 0.0027778 k( 298) = ( 0.1060606 0.5000000 0.1060606), wk = 0.0027778 k( 299) = ( 0.0984848 0.5000000 0.0984848), wk = 0.0027778 k( 300) = ( 0.0909091 0.5000000 0.0909091), wk = 0.0027778 k( 301) = ( 0.0833333 0.5000000 0.0833333), wk = 0.0027778 k( 302) = ( 0.0757576 0.5000000 0.0757576), wk = 0.0027778 k( 303) = ( 0.0681818 0.5000000 0.0681818), wk = 0.0027778 k( 304) = ( 0.0606061 0.5000000 0.0606061), wk = 0.0027778 k( 305) = ( 0.0530303 0.5000000 0.0530303), wk = 0.0027778 k( 306) = ( 0.0454546 0.5000000 0.0454545), wk = 0.0027778 k( 307) = ( 0.0378788 0.5000000 0.0378788), wk = 0.0027778 k( 308) = ( 0.0303030 0.5000000 0.0303030), wk = 0.0027778 k( 309) = ( 0.0227273 0.5000000 0.0227273), wk = 0.0027778 k( 310) = ( 0.0151515 0.5000000 0.0151515), wk = 0.0027778 k( 311) = ( 0.0075758 0.5000000 0.0075758), wk = 0.0027778 k( 312) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027778 k( 313) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027778 k( 314) = ( 0.5000000 0.5000000 0.0106383), wk = 0.0027778 k( 315) = ( 0.5000000 0.5000000 0.0212766), wk = 0.0027778 k( 316) = ( 0.5000000 0.5000000 0.0319149), wk = 0.0027778 k( 317) = ( 0.5000000 0.5000000 0.0425532), wk = 0.0027778 k( 318) = ( 0.5000000 0.5000000 0.0531915), wk = 0.0027778 k( 319) = ( 0.5000000 0.5000000 0.0638298), wk = 0.0027778 k( 320) = ( 0.5000000 0.5000000 0.0744681), wk = 0.0027778 k( 321) = ( 0.5000000 0.5000000 0.0851064), wk = 0.0027778 k( 322) = ( 0.5000000 0.5000000 0.0957447), wk = 0.0027778 k( 323) = ( 0.5000000 0.5000000 0.1063830), wk = 0.0027778 k( 324) = ( 0.5000000 0.5000000 0.1170213), wk = 0.0027778 k( 325) = ( 0.5000000 0.5000000 0.1276596), wk = 0.0027778 k( 326) = ( 0.5000000 0.5000000 0.1382979), wk = 0.0027778 k( 327) = ( 0.5000000 0.5000000 0.1489362), wk = 0.0027778 k( 328) = ( 0.5000000 0.5000000 0.1595745), wk = 0.0027778 k( 329) = ( 0.5000000 0.5000000 0.1702128), wk = 0.0027778 k( 330) = ( 0.5000000 0.5000000 0.1808511), wk = 0.0027778 k( 331) = ( 0.5000000 0.5000000 0.1914894), wk = 0.0027778 k( 332) = ( 0.5000000 0.5000000 0.2021277), wk = 0.0027778 k( 333) = ( 0.5000000 0.5000000 0.2127660), wk = 0.0027778 k( 334) = ( 0.5000000 0.5000000 0.2234043), wk = 0.0027778 k( 335) = ( 0.5000000 0.5000000 0.2340425), wk = 0.0027778 k( 336) = ( 0.5000000 0.5000000 0.2446808), wk = 0.0027778 k( 337) = ( 0.5000000 0.5000000 0.2553191), wk = 0.0027778 k( 338) = ( 0.5000000 0.5000000 0.2659574), wk = 0.0027778 k( 339) = ( 0.5000000 0.5000000 0.2765957), wk = 0.0027778 k( 340) = ( 0.5000000 0.5000000 0.2872340), wk = 0.0027778 k( 341) = ( 0.5000000 0.5000000 0.2978723), wk = 0.0027778 k( 342) = ( 0.5000000 0.5000000 0.3085106), wk = 0.0027778 k( 343) = ( 0.5000000 0.5000000 0.3191489), wk = 0.0027778 k( 344) = ( 0.5000000 0.5000000 0.3297872), wk = 0.0027778 k( 345) = ( 0.5000000 0.5000000 0.3404255), wk = 0.0027778 k( 346) = ( 0.5000000 0.5000000 0.3510638), wk = 0.0027778 k( 347) = ( 0.5000000 0.5000000 0.3617021), wk = 0.0027778 k( 348) = ( 0.5000000 0.5000000 0.3723404), wk = 0.0027778 k( 349) = ( 0.5000000 0.5000000 0.3829787), wk = 0.0027778 k( 350) = ( 0.5000000 0.5000000 0.3936170), wk = 0.0027778 k( 351) = ( 0.5000000 0.5000000 0.4042553), wk = 0.0027778 k( 352) = ( 0.5000000 0.5000000 0.4148936), wk = 0.0027778 k( 353) = ( 0.5000000 0.5000000 0.4255319), wk = 0.0027778 k( 354) = ( 0.5000000 0.5000000 0.4361702), wk = 0.0027778 k( 355) = ( 0.5000000 0.5000000 0.4468085), wk = 0.0027778 k( 356) = ( 0.5000000 0.5000000 0.4574468), wk = 0.0027778 k( 357) = ( 0.5000000 0.5000000 0.4680851), wk = 0.0027778 k( 358) = ( 0.5000000 0.5000000 0.4787234), wk = 0.0027778 k( 359) = ( 0.5000000 0.5000000 0.4893617), wk = 0.0027778 k( 360) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027778 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027778 k( 2) = ( 0.0000000 0.0106383 0.0000000), wk = 0.0027778 k( 3) = ( 0.0000000 0.0212766 0.0000000), wk = 0.0027778 k( 4) = ( 0.0000000 0.0319149 0.0000000), wk = 0.0027778 k( 5) = ( 0.0000000 0.0425532 0.0000000), wk = 0.0027778 k( 6) = ( 0.0000000 0.0531915 0.0000000), wk = 0.0027778 k( 7) = ( 0.0000000 0.0638298 0.0000000), wk = 0.0027778 k( 8) = ( 0.0000000 0.0744681 0.0000000), wk = 0.0027778 k( 9) = ( 0.0000000 0.0851064 0.0000000), wk = 0.0027778 k( 10) = ( 0.0000000 0.0957447 0.0000000), wk = 0.0027778 k( 11) = ( 0.0000000 0.1063830 0.0000000), wk = 0.0027778 k( 12) = ( 0.0000000 0.1170213 0.0000000), wk = 0.0027778 k( 13) = ( 0.0000000 0.1276596 0.0000000), wk = 0.0027778 k( 14) = ( 0.0000000 0.1382979 0.0000000), wk = 0.0027778 k( 15) = ( 0.0000000 0.1489362 0.0000000), wk = 0.0027778 k( 16) = ( 0.0000000 0.1595745 0.0000000), wk = 0.0027778 k( 17) = ( 0.0000000 0.1702128 0.0000000), wk = 0.0027778 k( 18) = ( 0.0000000 0.1808511 0.0000000), wk = 0.0027778 k( 19) = ( 0.0000000 0.1914894 0.0000000), wk = 0.0027778 k( 20) = ( 0.0000000 0.2021277 0.0000000), wk = 0.0027778 k( 21) = ( 0.0000000 0.2127660 0.0000000), wk = 0.0027778 k( 22) = ( 0.0000000 0.2234043 0.0000000), wk = 0.0027778 k( 23) = ( 0.0000000 0.2340425 0.0000000), wk = 0.0027778 k( 24) = ( 0.0000000 0.2446809 0.0000000), wk = 0.0027778 k( 25) = ( 0.0000000 0.2553191 0.0000000), wk = 0.0027778 k( 26) = ( 0.0000000 0.2659574 0.0000000), wk = 0.0027778 k( 27) = ( 0.0000000 0.2765957 0.0000000), wk = 0.0027778 k( 28) = ( 0.0000000 0.2872340 0.0000000), wk = 0.0027778 k( 29) = ( 0.0000000 0.2978723 0.0000000), wk = 0.0027778 k( 30) = ( 0.0000000 0.3085106 0.0000000), wk = 0.0027778 k( 31) = ( 0.0000000 0.3191489 0.0000000), wk = 0.0027778 k( 32) = ( 0.0000000 0.3297872 0.0000000), wk = 0.0027778 k( 33) = ( 0.0000000 0.3404255 0.0000000), wk = 0.0027778 k( 34) = ( 0.0000000 0.3510638 0.0000000), wk = 0.0027778 k( 35) = ( 0.0000000 0.3617021 0.0000000), wk = 0.0027778 k( 36) = ( 0.0000000 0.3723404 0.0000000), wk = 0.0027778 k( 37) = ( 0.0000000 0.3829787 0.0000000), wk = 0.0027778 k( 38) = ( 0.0000000 0.3936170 0.0000000), wk = 0.0027778 k( 39) = ( 0.0000000 0.4042553 0.0000000), wk = 0.0027778 k( 40) = ( 0.0000000 0.4148936 0.0000000), wk = 0.0027778 k( 41) = ( 0.0000000 0.4255319 0.0000000), wk = 0.0027778 k( 42) = ( 0.0000000 0.4361702 0.0000000), wk = 0.0027778 k( 43) = ( 0.0000000 0.4468085 0.0000000), wk = 0.0027778 k( 44) = ( 0.0000000 0.4574468 0.0000000), wk = 0.0027778 k( 45) = ( 0.0000000 0.4680851 0.0000000), wk = 0.0027778 k( 46) = ( 0.0000000 0.4787234 0.0000000), wk = 0.0027778 k( 47) = ( 0.0000000 0.4893617 0.0000000), wk = 0.0027778 k( 48) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027778 k( 49) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027778 k( 50) = ( 0.0106383 0.5000000 0.0000000), wk = 0.0027778 k( 51) = ( 0.0212766 0.5000000 0.0000000), wk = 0.0027778 k( 52) = ( 0.0319149 0.5000000 0.0000000), wk = 0.0027778 k( 53) = ( 0.0425532 0.5000000 0.0000000), wk = 0.0027778 k( 54) = ( 0.0531915 0.5000000 0.0000000), wk = 0.0027778 k( 55) = ( 0.0638298 0.5000000 0.0000000), wk = 0.0027778 k( 56) = ( 0.0744681 0.5000000 0.0000000), wk = 0.0027778 k( 57) = ( 0.0851064 0.5000000 0.0000000), wk = 0.0027778 k( 58) = ( 0.0957447 0.5000000 0.0000000), wk = 0.0027778 k( 59) = ( 0.1063830 0.5000000 0.0000000), wk = 0.0027778 k( 60) = ( 0.1170213 0.5000000 0.0000000), wk = 0.0027778 k( 61) = ( 0.1276596 0.5000000 0.0000000), wk = 0.0027778 k( 62) = ( 0.1382979 0.5000000 0.0000000), wk = 0.0027778 k( 63) = ( 0.1489362 0.5000000 0.0000000), wk = 0.0027778 k( 64) = ( 0.1595745 0.5000000 0.0000000), wk = 0.0027778 k( 65) = ( 0.1702128 0.5000000 0.0000000), wk = 0.0027778 k( 66) = ( 0.1808511 0.5000000 0.0000000), wk = 0.0027778 k( 67) = ( 0.1914894 0.5000000 0.0000000), wk = 0.0027778 k( 68) = ( 0.2021277 0.5000000 0.0000000), wk = 0.0027778 k( 69) = ( 0.2127660 0.5000000 0.0000000), wk = 0.0027778 k( 70) = ( 0.2234043 0.5000000 0.0000000), wk = 0.0027778 k( 71) = ( 0.2340425 0.5000000 0.0000000), wk = 0.0027778 k( 72) = ( 0.2446809 0.5000000 0.0000000), wk = 0.0027778 k( 73) = ( 0.2553191 0.5000000 0.0000000), wk = 0.0027778 k( 74) = ( 0.2659574 0.5000000 0.0000000), wk = 0.0027778 k( 75) = ( 0.2765957 0.5000000 0.0000000), wk = 0.0027778 k( 76) = ( 0.2872340 0.5000000 -0.0000000), wk = 0.0027778 k( 77) = ( 0.2978723 0.5000000 -0.0000000), wk = 0.0027778 k( 78) = ( 0.3085106 0.5000000 0.0000000), wk = 0.0027778 k( 79) = ( 0.3191489 0.5000000 0.0000000), wk = 0.0027778 k( 80) = ( 0.3297872 0.5000000 0.0000000), wk = 0.0027778 k( 81) = ( 0.3404255 0.5000000 0.0000000), wk = 0.0027778 k( 82) = ( 0.3510638 0.5000000 0.0000000), wk = 0.0027778 k( 83) = ( 0.3617021 0.5000000 0.0000000), wk = 0.0027778 k( 84) = ( 0.3723404 0.5000000 0.0000000), wk = 0.0027778 k( 85) = ( 0.3829787 0.5000000 0.0000000), wk = 0.0027778 k( 86) = ( 0.3936170 0.5000000 -0.0000000), wk = 0.0027778 k( 87) = ( 0.4042553 0.5000000 0.0000000), wk = 0.0027778 k( 88) = ( 0.4148936 0.5000000 0.0000000), wk = 0.0027778 k( 89) = ( 0.4255319 0.5000000 0.0000000), wk = 0.0027778 k( 90) = ( 0.4361702 0.5000000 0.0000000), wk = 0.0027778 k( 91) = ( 0.4468085 0.5000000 0.0000000), wk = 0.0027778 k( 92) = ( 0.4574468 0.5000000 0.0000000), wk = 0.0027778 k( 93) = ( 0.4680851 0.5000000 0.0000000), wk = 0.0027778 k( 94) = ( 0.4787234 0.5000000 0.0000000), wk = 0.0027778 k( 95) = ( 0.4893617 0.5000000 0.0000000), wk = 0.0027778 k( 96) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0027778 k( 97) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0027778 k( 98) = ( 0.4924242 0.4924242 0.0000000), wk = 0.0027778 k( 99) = ( 0.4848485 0.4848485 0.0000000), wk = 0.0027778 k( 100) = ( 0.4772727 0.4772727 0.0000000), wk = 0.0027778 k( 101) = ( 0.4696970 0.4696970 0.0000000), wk = 0.0027778 k( 102) = ( 0.4621212 0.4621212 0.0000000), wk = 0.0027778 k( 103) = ( 0.4545455 0.4545455 0.0000000), wk = 0.0027778 k( 104) = ( 0.4469697 0.4469697 0.0000000), wk = 0.0027778 k( 105) = ( 0.4393939 0.4393939 0.0000000), wk = 0.0027778 k( 106) = ( 0.4318182 0.4318182 0.0000000), wk = 0.0027778 k( 107) = ( 0.4242424 0.4242424 0.0000000), wk = 0.0027778 k( 108) = ( 0.4166667 0.4166667 0.0000000), wk = 0.0027778 k( 109) = ( 0.4090909 0.4090909 0.0000000), wk = 0.0027778 k( 110) = ( 0.4015151 0.4015151 0.0000000), wk = 0.0027778 k( 111) = ( 0.3939394 0.3939394 0.0000000), wk = 0.0027778 k( 112) = ( 0.3863636 0.3863636 0.0000000), wk = 0.0027778 k( 113) = ( 0.3787879 0.3787879 0.0000000), wk = 0.0027778 k( 114) = ( 0.3712121 0.3712121 0.0000000), wk = 0.0027778 k( 115) = ( 0.3636364 0.3636364 0.0000000), wk = 0.0027778 k( 116) = ( 0.3560606 0.3560606 0.0000000), wk = 0.0027778 k( 117) = ( 0.3484849 0.3484849 0.0000000), wk = 0.0027778 k( 118) = ( 0.3409091 0.3409091 0.0000000), wk = 0.0027778 k( 119) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0027778 k( 120) = ( 0.3257576 0.3257576 0.0000000), wk = 0.0027778 k( 121) = ( 0.3181818 0.3181818 0.0000000), wk = 0.0027778 k( 122) = ( 0.3106061 0.3106061 0.0000000), wk = 0.0027778 k( 123) = ( 0.3030303 0.3030303 0.0000000), wk = 0.0027778 k( 124) = ( 0.2954545 0.2954545 0.0000000), wk = 0.0027778 k( 125) = ( 0.2878788 0.2878788 0.0000000), wk = 0.0027778 k( 126) = ( 0.2803030 0.2803030 0.0000000), wk = 0.0027778 k( 127) = ( 0.2727273 0.2727273 0.0000000), wk = 0.0027778 k( 128) = ( 0.2651515 0.2651515 0.0000000), wk = 0.0027778 k( 129) = ( 0.2575758 0.2575758 0.0000000), wk = 0.0027778 k( 130) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0027778 k( 131) = ( 0.2424242 0.2424242 0.0000000), wk = 0.0027778 k( 132) = ( 0.2348485 0.2348485 0.0000000), wk = 0.0027778 k( 133) = ( 0.2272727 0.2272727 0.0000000), wk = 0.0027778 k( 134) = ( 0.2196970 0.2196970 0.0000000), wk = 0.0027778 k( 135) = ( 0.2121212 0.2121212 0.0000000), wk = 0.0027778 k( 136) = ( 0.2045454 0.2045454 0.0000000), wk = 0.0027778 k( 137) = ( 0.1969697 0.1969697 0.0000000), wk = 0.0027778 k( 138) = ( 0.1893939 0.1893939 0.0000000), wk = 0.0027778 k( 139) = ( 0.1818182 0.1818182 0.0000000), wk = 0.0027778 k( 140) = ( 0.1742424 0.1742424 0.0000000), wk = 0.0027778 k( 141) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0027778 k( 142) = ( 0.1590909 0.1590909 0.0000000), wk = 0.0027778 k( 143) = ( 0.1515151 0.1515151 0.0000000), wk = 0.0027778 k( 144) = ( 0.1439394 0.1439394 0.0000000), wk = 0.0027778 k( 145) = ( 0.1363636 0.1363636 0.0000000), wk = 0.0027778 k( 146) = ( 0.1287879 0.1287879 0.0000000), wk = 0.0027778 k( 147) = ( 0.1212121 0.1212121 0.0000000), wk = 0.0027778 k( 148) = ( 0.1136364 0.1136364 0.0000000), wk = 0.0027778 k( 149) = ( 0.1060606 0.1060606 0.0000000), wk = 0.0027778 k( 150) = ( 0.0984848 0.0984848 0.0000000), wk = 0.0027778 k( 151) = ( 0.0909091 0.0909091 0.0000000), wk = 0.0027778 k( 152) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0027778 k( 153) = ( 0.0757576 0.0757576 0.0000000), wk = 0.0027778 k( 154) = ( 0.0681818 0.0681818 0.0000000), wk = 0.0027778 k( 155) = ( 0.0606061 0.0606061 0.0000000), wk = 0.0027778 k( 156) = ( 0.0530303 0.0530303 0.0000000), wk = 0.0027778 k( 157) = ( 0.0454546 0.0454546 0.0000000), wk = 0.0027778 k( 158) = ( 0.0378788 0.0378788 0.0000000), wk = 0.0027778 k( 159) = ( 0.0303030 0.0303030 0.0000000), wk = 0.0027778 k( 160) = ( 0.0227273 0.0227273 0.0000000), wk = 0.0027778 k( 161) = ( 0.0151515 0.0151515 0.0000000), wk = 0.0027778 k( 162) = ( 0.0075758 0.0075758 0.0000000), wk = 0.0027778 k( 163) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027778 k( 164) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027778 k( 165) = ( 0.0061728 0.0061728 0.0061728), wk = 0.0027778 k( 166) = ( 0.0123457 0.0123457 0.0123457), wk = 0.0027778 k( 167) = ( 0.0185185 0.0185185 0.0185185), wk = 0.0027778 k( 168) = ( 0.0246914 0.0246914 0.0246914), wk = 0.0027778 k( 169) = ( 0.0308642 0.0308642 0.0308642), wk = 0.0027778 k( 170) = ( 0.0370370 0.0370370 0.0370370), wk = 0.0027778 k( 171) = ( 0.0432099 0.0432099 0.0432099), wk = 0.0027778 k( 172) = ( 0.0493827 0.0493827 0.0493827), wk = 0.0027778 k( 173) = ( 0.0555556 0.0555556 0.0555556), wk = 0.0027778 k( 174) = ( 0.0617284 0.0617284 0.0617284), wk = 0.0027778 k( 175) = ( 0.0679012 0.0679012 0.0679012), wk = 0.0027778 k( 176) = ( 0.0740741 0.0740741 0.0740741), wk = 0.0027778 k( 177) = ( 0.0802469 0.0802469 0.0802469), wk = 0.0027778 k( 178) = ( 0.0864198 0.0864198 0.0864198), wk = 0.0027778 k( 179) = ( 0.0925926 0.0925926 0.0925926), wk = 0.0027778 k( 180) = ( 0.0987654 0.0987654 0.0987654), wk = 0.0027778 k( 181) = ( 0.1049383 0.1049383 0.1049383), wk = 0.0027778 k( 182) = ( 0.1111111 0.1111111 0.1111111), wk = 0.0027778 k( 183) = ( 0.1172839 0.1172839 0.1172839), wk = 0.0027778 k( 184) = ( 0.1234568 0.1234568 0.1234568), wk = 0.0027778 k( 185) = ( 0.1296296 0.1296296 0.1296296), wk = 0.0027778 k( 186) = ( 0.1358025 0.1358025 0.1358025), wk = 0.0027778 k( 187) = ( 0.1419753 0.1419753 0.1419753), wk = 0.0027778 k( 188) = ( 0.1481482 0.1481482 0.1481482), wk = 0.0027778 k( 189) = ( 0.1543210 0.1543210 0.1543210), wk = 0.0027778 k( 190) = ( 0.1604938 0.1604938 0.1604938), wk = 0.0027778 k( 191) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0027778 k( 192) = ( 0.1728395 0.1728395 0.1728395), wk = 0.0027778 k( 193) = ( 0.1790123 0.1790123 0.1790123), wk = 0.0027778 k( 194) = ( 0.1851852 0.1851852 0.1851852), wk = 0.0027778 k( 195) = ( 0.1913580 0.1913580 0.1913580), wk = 0.0027778 k( 196) = ( 0.1975309 0.1975309 0.1975309), wk = 0.0027778 k( 197) = ( 0.2037037 0.2037037 0.2037037), wk = 0.0027778 k( 198) = ( 0.2098765 0.2098765 0.2098765), wk = 0.0027778 k( 199) = ( 0.2160494 0.2160494 0.2160494), wk = 0.0027778 k( 200) = ( 0.2222222 0.2222222 0.2222222), wk = 0.0027778 k( 201) = ( 0.2283951 0.2283951 0.2283951), wk = 0.0027778 k( 202) = ( 0.2345679 0.2345679 0.2345679), wk = 0.0027778 k( 203) = ( 0.2407407 0.2407407 0.2407407), wk = 0.0027778 k( 204) = ( 0.2469136 0.2469136 0.2469136), wk = 0.0027778 k( 205) = ( 0.2530864 0.2530864 0.2530864), wk = 0.0027778 k( 206) = ( 0.2592593 0.2592593 0.2592593), wk = 0.0027778 k( 207) = ( 0.2654321 0.2654321 0.2654321), wk = 0.0027778 k( 208) = ( 0.2716049 0.2716049 0.2716049), wk = 0.0027778 k( 209) = ( 0.2777778 0.2777778 0.2777778), wk = 0.0027778 k( 210) = ( 0.2839506 0.2839506 0.2839506), wk = 0.0027778 k( 211) = ( 0.2901235 0.2901235 0.2901235), wk = 0.0027778 k( 212) = ( 0.2962963 0.2962963 0.2962963), wk = 0.0027778 k( 213) = ( 0.3024691 0.3024691 0.3024691), wk = 0.0027778 k( 214) = ( 0.3086420 0.3086420 0.3086420), wk = 0.0027778 k( 215) = ( 0.3148148 0.3148148 0.3148148), wk = 0.0027778 k( 216) = ( 0.3209877 0.3209877 0.3209877), wk = 0.0027778 k( 217) = ( 0.3271605 0.3271605 0.3271605), wk = 0.0027778 k( 218) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0027778 k( 219) = ( 0.3395062 0.3395062 0.3395062), wk = 0.0027778 k( 220) = ( 0.3456790 0.3456790 0.3456790), wk = 0.0027778 k( 221) = ( 0.3518519 0.3518519 0.3518519), wk = 0.0027778 k( 222) = ( 0.3580247 0.3580247 0.3580247), wk = 0.0027778 k( 223) = ( 0.3641975 0.3641975 0.3641975), wk = 0.0027778 k( 224) = ( 0.3703704 0.3703704 0.3703704), wk = 0.0027778 k( 225) = ( 0.3765432 0.3765432 0.3765432), wk = 0.0027778 k( 226) = ( 0.3827160 0.3827160 0.3827160), wk = 0.0027778 k( 227) = ( 0.3888889 0.3888889 0.3888889), wk = 0.0027778 k( 228) = ( 0.3950617 0.3950617 0.3950617), wk = 0.0027778 k( 229) = ( 0.4012346 0.4012346 0.4012346), wk = 0.0027778 k( 230) = ( 0.4074074 0.4074074 0.4074074), wk = 0.0027778 k( 231) = ( 0.4135802 0.4135802 0.4135802), wk = 0.0027778 k( 232) = ( 0.4197531 0.4197531 0.4197531), wk = 0.0027778 k( 233) = ( 0.4259259 0.4259259 0.4259259), wk = 0.0027778 k( 234) = ( 0.4320988 0.4320988 0.4320988), wk = 0.0027778 k( 235) = ( 0.4382716 0.4382716 0.4382716), wk = 0.0027778 k( 236) = ( 0.4444444 0.4444444 0.4444444), wk = 0.0027778 k( 237) = ( 0.4506173 0.4506173 0.4506173), wk = 0.0027778 k( 238) = ( 0.4567901 0.4567901 0.4567901), wk = 0.0027778 k( 239) = ( 0.4629630 0.4629630 0.4629630), wk = 0.0027778 k( 240) = ( 0.4691358 0.4691358 0.4691358), wk = 0.0027778 k( 241) = ( 0.4753086 0.4753086 0.4753086), wk = 0.0027778 k( 242) = ( 0.4814815 0.4814815 0.4814815), wk = 0.0027778 k( 243) = ( 0.4876543 0.4876543 0.4876543), wk = 0.0027778 k( 244) = ( 0.4938272 0.4938272 0.4938272), wk = 0.0027778 k( 245) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027778 k( 246) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027778 k( 247) = ( 0.4924242 0.5000000 0.4924242), wk = 0.0027778 k( 248) = ( 0.4848485 0.5000000 0.4848485), wk = 0.0027778 k( 249) = ( 0.4772727 0.5000000 0.4772727), wk = 0.0027778 k( 250) = ( 0.4696970 0.5000000 0.4696970), wk = 0.0027778 k( 251) = ( 0.4621212 0.5000000 0.4621212), wk = 0.0027778 k( 252) = ( 0.4545455 0.5000000 0.4545455), wk = 0.0027778 k( 253) = ( 0.4469697 0.5000000 0.4469697), wk = 0.0027778 k( 254) = ( 0.4393939 0.5000000 0.4393939), wk = 0.0027778 k( 255) = ( 0.4318182 0.5000000 0.4318182), wk = 0.0027778 k( 256) = ( 0.4242424 0.5000000 0.4242424), wk = 0.0027778 k( 257) = ( 0.4166667 0.5000000 0.4166667), wk = 0.0027778 k( 258) = ( 0.4090909 0.5000000 0.4090909), wk = 0.0027778 k( 259) = ( 0.4015151 0.5000000 0.4015151), wk = 0.0027778 k( 260) = ( 0.3939394 0.5000000 0.3939394), wk = 0.0027778 k( 261) = ( 0.3863636 0.5000000 0.3863636), wk = 0.0027778 k( 262) = ( 0.3787879 0.5000000 0.3787879), wk = 0.0027778 k( 263) = ( 0.3712121 0.5000000 0.3712121), wk = 0.0027778 k( 264) = ( 0.3636364 0.5000000 0.3636364), wk = 0.0027778 k( 265) = ( 0.3560606 0.5000000 0.3560606), wk = 0.0027778 k( 266) = ( 0.3484849 0.5000000 0.3484849), wk = 0.0027778 k( 267) = ( 0.3409091 0.5000000 0.3409091), wk = 0.0027778 k( 268) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0027778 k( 269) = ( 0.3257576 0.5000000 0.3257576), wk = 0.0027778 k( 270) = ( 0.3181818 0.5000000 0.3181818), wk = 0.0027778 k( 271) = ( 0.3106061 0.5000000 0.3106061), wk = 0.0027778 k( 272) = ( 0.3030303 0.5000000 0.3030303), wk = 0.0027778 k( 273) = ( 0.2954545 0.5000000 0.2954545), wk = 0.0027778 k( 274) = ( 0.2878788 0.5000000 0.2878788), wk = 0.0027778 k( 275) = ( 0.2803030 0.5000000 0.2803030), wk = 0.0027778 k( 276) = ( 0.2727273 0.5000000 0.2727273), wk = 0.0027778 k( 277) = ( 0.2651515 0.5000000 0.2651515), wk = 0.0027778 k( 278) = ( 0.2575758 0.5000000 0.2575758), wk = 0.0027778 k( 279) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0027778 k( 280) = ( 0.2424242 0.5000000 0.2424242), wk = 0.0027778 k( 281) = ( 0.2348485 0.5000000 0.2348485), wk = 0.0027778 k( 282) = ( 0.2272727 0.5000000 0.2272727), wk = 0.0027778 k( 283) = ( 0.2196970 0.5000000 0.2196970), wk = 0.0027778 k( 284) = ( 0.2121212 0.5000000 0.2121212), wk = 0.0027778 k( 285) = ( 0.2045454 0.5000000 0.2045454), wk = 0.0027778 k( 286) = ( 0.1969697 0.5000000 0.1969697), wk = 0.0027778 k( 287) = ( 0.1893939 0.5000000 0.1893939), wk = 0.0027778 k( 288) = ( 0.1818182 0.5000000 0.1818182), wk = 0.0027778 k( 289) = ( 0.1742424 0.5000000 0.1742424), wk = 0.0027778 k( 290) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0027778 k( 291) = ( 0.1590909 0.5000000 0.1590909), wk = 0.0027778 k( 292) = ( 0.1515151 0.5000000 0.1515151), wk = 0.0027778 k( 293) = ( 0.1439394 0.5000000 0.1439394), wk = 0.0027778 k( 294) = ( 0.1363636 0.5000000 0.1363636), wk = 0.0027778 k( 295) = ( 0.1287879 0.5000000 0.1287879), wk = 0.0027778 k( 296) = ( 0.1212121 0.5000000 0.1212121), wk = 0.0027778 k( 297) = ( 0.1136364 0.5000000 0.1136364), wk = 0.0027778 k( 298) = ( 0.1060606 0.5000000 0.1060606), wk = 0.0027778 k( 299) = ( 0.0984848 0.5000000 0.0984848), wk = 0.0027778 k( 300) = ( 0.0909091 0.5000000 0.0909091), wk = 0.0027778 k( 301) = ( 0.0833333 0.5000000 0.0833333), wk = 0.0027778 k( 302) = ( 0.0757576 0.5000000 0.0757576), wk = 0.0027778 k( 303) = ( 0.0681818 0.5000000 0.0681818), wk = 0.0027778 k( 304) = ( 0.0606061 0.5000000 0.0606061), wk = 0.0027778 k( 305) = ( 0.0530303 0.5000000 0.0530303), wk = 0.0027778 k( 306) = ( 0.0454546 0.5000000 0.0454546), wk = 0.0027778 k( 307) = ( 0.0378788 0.5000000 0.0378788), wk = 0.0027778 k( 308) = ( 0.0303030 0.5000000 0.0303030), wk = 0.0027778 k( 309) = ( 0.0227273 0.5000000 0.0227273), wk = 0.0027778 k( 310) = ( 0.0151515 0.5000000 0.0151515), wk = 0.0027778 k( 311) = ( 0.0075758 0.5000000 0.0075758), wk = 0.0027778 k( 312) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027778 k( 313) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0027778 k( 314) = ( 0.5000000 0.5000000 0.0106383), wk = 0.0027778 k( 315) = ( 0.5000000 0.5000000 0.0212766), wk = 0.0027778 k( 316) = ( 0.5000000 0.5000000 0.0319149), wk = 0.0027778 k( 317) = ( 0.5000000 0.5000000 0.0425532), wk = 0.0027778 k( 318) = ( 0.5000000 0.5000000 0.0531915), wk = 0.0027778 k( 319) = ( 0.5000000 0.5000000 0.0638298), wk = 0.0027778 k( 320) = ( 0.5000000 0.5000000 0.0744681), wk = 0.0027778 k( 321) = ( 0.5000000 0.5000000 0.0851064), wk = 0.0027778 k( 322) = ( 0.5000000 0.5000000 0.0957447), wk = 0.0027778 k( 323) = ( 0.5000000 0.5000000 0.1063830), wk = 0.0027778 k( 324) = ( 0.5000000 0.5000000 0.1170213), wk = 0.0027778 k( 325) = ( 0.5000000 0.5000000 0.1276596), wk = 0.0027778 k( 326) = ( 0.5000000 0.5000000 0.1382979), wk = 0.0027778 k( 327) = ( 0.5000000 0.5000000 0.1489362), wk = 0.0027778 k( 328) = ( 0.5000000 0.5000000 0.1595745), wk = 0.0027778 k( 329) = ( 0.5000000 0.5000000 0.1702128), wk = 0.0027778 k( 330) = ( 0.5000000 0.5000000 0.1808511), wk = 0.0027778 k( 331) = ( 0.5000000 0.5000000 0.1914894), wk = 0.0027778 k( 332) = ( 0.5000000 0.5000000 0.2021277), wk = 0.0027778 k( 333) = ( 0.5000000 0.5000000 0.2127660), wk = 0.0027778 k( 334) = ( 0.5000000 0.5000000 0.2234043), wk = 0.0027778 k( 335) = ( 0.5000000 0.5000000 0.2340425), wk = 0.0027778 k( 336) = ( 0.5000000 0.5000000 0.2446809), wk = 0.0027778 k( 337) = ( 0.5000000 0.5000000 0.2553191), wk = 0.0027778 k( 338) = ( 0.5000000 0.5000000 0.2659574), wk = 0.0027778 k( 339) = ( 0.5000000 0.5000000 0.2765957), wk = 0.0027778 k( 340) = ( 0.5000000 0.5000000 0.2872340), wk = 0.0027778 k( 341) = ( 0.5000000 0.5000000 0.2978723), wk = 0.0027778 k( 342) = ( 0.5000000 0.5000000 0.3085106), wk = 0.0027778 k( 343) = ( 0.5000000 0.5000000 0.3191489), wk = 0.0027778 k( 344) = ( 0.5000000 0.5000000 0.3297872), wk = 0.0027778 k( 345) = ( 0.5000000 0.5000000 0.3404255), wk = 0.0027778 k( 346) = ( 0.5000000 0.5000000 0.3510638), wk = 0.0027778 k( 347) = ( 0.5000000 0.5000000 0.3617021), wk = 0.0027778 k( 348) = ( 0.5000000 0.5000000 0.3723404), wk = 0.0027778 k( 349) = ( 0.5000000 0.5000000 0.3829787), wk = 0.0027778 k( 350) = ( 0.5000000 0.5000000 0.3936170), wk = 0.0027778 k( 351) = ( 0.5000000 0.5000000 0.4042553), wk = 0.0027778 k( 352) = ( 0.5000000 0.5000000 0.4148936), wk = 0.0027778 k( 353) = ( 0.5000000 0.5000000 0.4255319), wk = 0.0027778 k( 354) = ( 0.5000000 0.5000000 0.4361702), wk = 0.0027778 k( 355) = ( 0.5000000 0.5000000 0.4468085), wk = 0.0027778 k( 356) = ( 0.5000000 0.5000000 0.4574468), wk = 0.0027778 k( 357) = ( 0.5000000 0.5000000 0.4680851), wk = 0.0027778 k( 358) = ( 0.5000000 0.5000000 0.4787234), wk = 0.0027778 k( 359) = ( 0.5000000 0.5000000 0.4893617), wk = 0.0027778 k( 360) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027778 Dense grid: 38089 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 12797 G-vectors FFT dimensions: ( 30, 30, 30) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.04 Mb ( 86, 30) NL pseudopotentials 0.04 Mb ( 43, 68) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1060) G-vector shells 0.00 Mb ( 255) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.16 Mb ( 86, 120) Each subspace H/S matrix 0.01 Mb ( 30, 30) Each matrix 0.06 Mb ( 68, 2, 30) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./ScAu.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 2.2 secs Computing kpt #: 3 total cpu time spent up to now is 2.4 secs Computing kpt #: 4 total cpu time spent up to now is 2.5 secs Computing kpt #: 5 total cpu time spent up to now is 2.6 secs Computing kpt #: 6 total cpu time spent up to now is 2.7 secs Computing kpt #: 7 total cpu time spent up to now is 2.9 secs Computing kpt #: 8 total cpu time spent up to now is 3.0 secs Computing kpt #: 9 total cpu time spent up to now is 3.1 secs Computing kpt #: 10 total cpu time spent up to now is 3.2 secs Computing kpt #: 11 total cpu time spent up to now is 3.4 secs Computing kpt #: 12 total cpu time spent up to now is 3.5 secs Computing kpt #: 13 total cpu time spent up to now is 3.6 secs Computing kpt #: 14 total cpu time spent up to now is 3.7 secs Computing kpt #: 15 total cpu time spent up to now is 3.9 secs Computing kpt #: 16 total cpu time spent up to now is 4.0 secs Computing kpt #: 17 total cpu time spent up to now is 4.1 secs Computing kpt #: 18 total cpu time spent up to now is 4.3 secs Computing kpt #: 19 total cpu time spent up to now is 4.4 secs Computing kpt #: 20 total cpu time spent up to now is 4.6 secs Computing kpt #: 21 total cpu time spent up to now is 4.7 secs Computing kpt #: 22 total cpu time spent up to now is 4.9 secs Computing kpt #: 23 total cpu time spent up to now is 5.1 secs Computing kpt #: 24 total cpu time spent up to now is 5.2 secs Computing kpt #: 25 total cpu time spent up to now is 5.4 secs Computing kpt #: 26 total cpu time spent up to now is 5.5 secs Computing kpt #: 27 total cpu time spent up to now is 5.7 secs Computing kpt #: 28 total cpu time spent up to now is 5.8 secs Computing kpt #: 29 total cpu time spent up to now is 6.0 secs Computing kpt #: 30 total cpu time spent up to now is 6.1 secs Computing kpt #: 31 total cpu time spent up to now is 6.3 secs Computing kpt #: 32 total cpu time spent up to now is 6.4 secs Computing kpt #: 33 total cpu time spent up to now is 6.6 secs Computing kpt #: 34 total cpu time spent up to now is 6.7 secs Computing kpt #: 35 total cpu time spent up to now is 6.9 secs Computing kpt #: 36 total cpu time spent up to now is 7.0 secs Computing kpt #: 37 total cpu time spent up to now is 7.2 secs Computing kpt #: 38 total cpu time spent up to now is 7.3 secs Computing kpt #: 39 total cpu time spent up to now is 7.5 secs Computing kpt #: 40 total cpu time spent up to now is 7.6 secs Computing kpt #: 41 total cpu time spent up to now is 7.8 secs Computing kpt #: 42 total cpu time spent up to now is 7.9 secs Computing kpt #: 43 total cpu time spent up to now is 8.0 secs Computing kpt #: 44 total cpu time spent up to now is 8.1 secs Computing kpt #: 45 total cpu time spent up to now is 8.2 secs Computing kpt #: 46 total cpu time spent up to now is 8.4 secs Computing kpt #: 47 total cpu time spent up to now is 8.5 secs Computing kpt #: 48 total cpu time spent up to now is 8.6 secs Computing kpt #: 49 total cpu time spent up to now is 8.7 secs Computing kpt #: 50 total cpu time spent up to now is 8.8 secs Computing kpt #: 51 total cpu time spent up to now is 9.0 secs Computing kpt #: 52 total cpu time spent up to now is 9.1 secs Computing kpt #: 53 total cpu time spent up to now is 9.2 secs Computing kpt #: 54 total cpu time spent up to now is 9.3 secs Computing kpt #: 55 total cpu time spent up to now is 9.4 secs Computing kpt #: 56 total cpu time spent up to now is 9.6 secs Computing kpt #: 57 total cpu time spent up to now is 9.7 secs Computing kpt #: 58 total cpu time spent up to now is 9.8 secs Computing kpt #: 59 total cpu time spent up to now is 9.9 secs Computing kpt #: 60 total cpu time spent up to now is 10.1 secs Computing kpt #: 61 total cpu time spent up to now is 10.2 secs Computing kpt #: 62 total cpu time spent up to now is 10.3 secs Computing kpt #: 63 total cpu time spent up to now is 10.5 secs Computing kpt #: 64 total cpu time spent up to now is 10.6 secs Computing kpt #: 65 total cpu time spent up to now is 10.8 secs Computing kpt #: 66 total cpu time spent up to now is 10.9 secs Computing kpt #: 67 total cpu time spent up to now is 11.1 secs Computing kpt #: 68 total cpu time spent up to now is 11.2 secs Computing kpt #: 69 total cpu time spent up to now is 11.4 secs Computing kpt #: 70 total cpu time spent up to now is 11.5 secs Computing kpt #: 71 total cpu time spent up to now is 11.7 secs Computing kpt #: 72 total cpu time spent up to now is 11.8 secs Computing kpt #: 73 total cpu time spent up to now is 12.0 secs Computing kpt #: 74 total cpu time spent up to now is 12.1 secs Computing kpt #: 75 total cpu time spent up to now is 12.3 secs Computing kpt #: 76 total cpu time spent up to now is 12.4 secs Computing kpt #: 77 total cpu time spent up to now is 12.6 secs Computing kpt #: 78 total cpu time spent up to now is 12.7 secs Computing kpt #: 79 total cpu time spent up to now is 12.9 secs Computing kpt #: 80 total cpu time spent up to now is 13.0 secs Computing kpt #: 81 total cpu time spent up to now is 13.2 secs Computing kpt #: 82 total cpu time spent up to now is 13.4 secs Computing kpt #: 83 total cpu time spent up to now is 13.5 secs Computing kpt #: 84 total cpu time spent up to now is 13.7 secs Computing kpt #: 85 total cpu time spent up to now is 13.8 secs Computing kpt #: 86 total cpu time spent up to now is 14.0 secs Computing kpt #: 87 total cpu time spent up to now is 14.2 secs Computing kpt #: 88 total cpu time spent up to now is 14.3 secs Computing kpt #: 89 total cpu time spent up to now is 14.5 secs Computing kpt #: 90 total cpu time spent up to now is 14.7 secs Computing kpt #: 91 total cpu time spent up to now is 14.8 secs Computing kpt #: 92 total cpu time spent up to now is 15.0 secs Computing kpt #: 93 total cpu time spent up to now is 15.2 secs Computing kpt #: 94 total cpu time spent up to now is 15.3 secs Computing kpt #: 95 total cpu time spent up to now is 15.5 secs Computing kpt #: 96 total cpu time spent up to now is 15.7 secs Computing kpt #: 97 total cpu time spent up to now is 15.9 secs Computing kpt #: 98 total cpu time spent up to now is 16.0 secs Computing kpt #: 99 total cpu time spent up to now is 16.2 secs Computing kpt #: 100 total cpu time spent up to now is 16.4 secs Computing kpt #: 101 total cpu time spent up to now is 16.5 secs Computing kpt #: 102 total cpu time spent up to now is 16.7 secs Computing kpt #: 103 total cpu time spent up to now is 16.9 secs Computing kpt #: 104 total cpu time spent up to now is 17.0 secs Computing kpt #: 105 total cpu time spent up to now is 17.2 secs Computing kpt #: 106 total cpu time spent up to now is 17.4 secs Computing kpt #: 107 total cpu time spent up to now is 17.5 secs Computing kpt #: 108 total cpu time spent up to now is 17.7 secs Computing kpt #: 109 total cpu time spent up to now is 17.9 secs Computing kpt #: 110 total cpu time spent up to now is 18.0 secs Computing kpt #: 111 total cpu time spent up to now is 18.2 secs Computing kpt #: 112 total cpu time spent up to now is 18.4 secs Computing kpt #: 113 total cpu time spent up to now is 18.5 secs Computing kpt #: 114 total cpu time spent up to now is 18.7 secs Computing kpt #: 115 total cpu time spent up to now is 18.9 secs Computing kpt #: 116 total cpu time spent up to now is 19.0 secs Computing kpt #: 117 total cpu time spent up to now is 19.2 secs Computing kpt #: 118 total cpu time spent up to now is 19.3 secs Computing kpt #: 119 total cpu time spent up to now is 19.5 secs Computing kpt #: 120 total cpu time spent up to now is 19.7 secs Computing kpt #: 121 total cpu time spent up to now is 19.8 secs Computing kpt #: 122 total cpu time spent up to now is 20.0 secs Computing kpt #: 123 total cpu time spent up to now is 20.2 secs Computing kpt #: 124 total cpu time spent up to now is 20.3 secs Computing kpt #: 125 total cpu time spent up to now is 20.5 secs Computing kpt #: 126 total cpu time spent up to now is 20.6 secs Computing kpt #: 127 total cpu time spent up to now is 20.8 secs Computing kpt #: 128 total cpu time spent up to now is 20.9 secs Computing kpt #: 129 total cpu time spent up to now is 21.0 secs Computing kpt #: 130 total cpu time spent up to now is 21.2 secs Computing kpt #: 131 total cpu time spent up to now is 21.3 secs Computing kpt #: 132 total cpu time spent up to now is 21.5 secs Computing kpt #: 133 total cpu time spent up to now is 21.6 secs Computing kpt #: 134 total cpu time spent up to now is 21.8 secs Computing kpt #: 135 total cpu time spent up to now is 21.9 secs Computing kpt #: 136 total cpu time spent up to now is 22.1 secs Computing kpt #: 137 total cpu time spent up to now is 22.2 secs Computing kpt #: 138 total cpu time spent up to now is 22.3 secs Computing kpt #: 139 total cpu time spent up to now is 22.5 secs Computing kpt #: 140 total cpu time spent up to now is 22.6 secs Computing kpt #: 141 total cpu time spent up to now is 22.8 secs Computing kpt #: 142 total cpu time spent up to now is 22.9 secs Computing kpt #: 143 total cpu time spent up to now is 23.0 secs Computing kpt #: 144 total cpu time spent up to now is 23.2 secs Computing kpt #: 145 total cpu time spent up to now is 23.3 secs Computing kpt #: 146 total cpu time spent up to now is 23.5 secs Computing kpt #: 147 total cpu time spent up to now is 23.6 secs Computing kpt #: 148 total cpu time spent up to now is 23.7 secs Computing kpt #: 149 total cpu time spent up to now is 23.8 secs Computing kpt #: 150 total cpu time spent up to now is 24.0 secs Computing kpt #: 151 total cpu time spent up to now is 24.1 secs Computing kpt #: 152 total cpu time spent up to now is 24.2 secs Computing kpt #: 153 total cpu time spent up to now is 24.3 secs Computing kpt #: 154 total cpu time spent up to now is 24.5 secs Computing kpt #: 155 total cpu time spent up to now is 24.6 secs Computing kpt #: 156 total cpu time spent up to now is 24.7 secs Computing kpt #: 157 total cpu time spent up to now is 24.8 secs Computing kpt #: 158 total cpu time spent up to now is 25.0 secs Computing kpt #: 159 total cpu time spent up to now is 25.1 secs Computing kpt #: 160 total cpu time spent up to now is 25.2 secs Computing kpt #: 161 total cpu time spent up to now is 25.3 secs Computing kpt #: 162 total cpu time spent up to now is 25.5 secs Computing kpt #: 163 total cpu time spent up to now is 25.6 secs Computing kpt #: 164 total cpu time spent up to now is 25.7 secs Computing kpt #: 165 total cpu time spent up to now is 25.8 secs Computing kpt #: 166 total cpu time spent up to now is 25.9 secs Computing kpt #: 167 total cpu time spent up to now is 26.1 secs Computing kpt #: 168 total cpu time spent up to now is 26.2 secs Computing kpt #: 169 total cpu time spent up to now is 26.3 secs Computing kpt #: 170 total cpu time spent up to now is 26.4 secs Computing kpt #: 171 total cpu time spent up to now is 26.6 secs Computing kpt #: 172 total cpu time spent up to now is 26.7 secs Computing kpt #: 173 total cpu time spent up to now is 26.8 secs Computing kpt #: 174 total cpu time spent up to now is 26.9 secs Computing kpt #: 175 total cpu time spent up to now is 27.1 secs Computing kpt #: 176 total cpu time spent up to now is 27.2 secs Computing kpt #: 177 total cpu time spent up to now is 27.3 secs Computing kpt #: 178 total cpu time spent up to now is 27.4 secs Computing kpt #: 179 total cpu time spent up to now is 27.6 secs Computing kpt #: 180 total cpu time spent up to now is 27.7 secs Computing kpt #: 181 total cpu time spent up to now is 27.8 secs Computing kpt #: 182 total cpu time spent up to now is 27.9 secs Computing kpt #: 183 total cpu time spent up to now is 28.1 secs Computing kpt #: 184 total cpu time spent up to now is 28.2 secs Computing kpt #: 185 total cpu time spent up to now is 28.3 secs Computing kpt #: 186 total cpu time spent up to now is 28.5 secs Computing kpt #: 187 total cpu time spent up to now is 28.6 secs Computing kpt #: 188 total cpu time spent up to now is 28.7 secs Computing kpt #: 189 total cpu time spent up to now is 28.8 secs Computing kpt #: 190 total cpu time spent up to now is 29.0 secs Computing kpt #: 191 total cpu time spent up to now is 29.1 secs Computing kpt #: 192 total cpu time spent up to now is 29.2 secs Computing kpt #: 193 total cpu time spent up to now is 29.3 secs Computing kpt #: 194 total cpu time spent up to now is 29.5 secs Computing kpt #: 195 total cpu time spent up to now is 29.6 secs Computing kpt #: 196 total cpu time spent up to now is 29.7 secs Computing kpt #: 197 total cpu time spent up to now is 29.9 secs Computing kpt #: 198 total cpu time spent up to now is 30.0 secs Computing kpt #: 199 total cpu time spent up to now is 30.1 secs Computing kpt #: 200 total cpu time spent up to now is 30.2 secs Computing kpt #: 201 total cpu time spent up to now is 30.4 secs Computing kpt #: 202 total cpu time spent up to now is 30.5 secs Computing kpt #: 203 total cpu time spent up to now is 30.6 secs Computing kpt #: 204 total cpu time spent up to now is 30.8 secs Computing kpt #: 205 total cpu time spent up to now is 30.9 secs Computing kpt #: 206 total cpu time spent up to now is 31.0 secs Computing kpt #: 207 total cpu time spent up to now is 31.2 secs Computing kpt #: 208 total cpu time spent up to now is 31.3 secs Computing kpt #: 209 total cpu time spent up to now is 31.4 secs Computing kpt #: 210 total cpu time spent up to now is 31.6 secs Computing kpt #: 211 total cpu time spent up to now is 31.7 secs Computing kpt #: 212 total cpu time spent up to now is 31.9 secs Computing kpt #: 213 total cpu time spent up to now is 32.0 secs Computing kpt #: 214 total cpu time spent up to now is 32.2 secs Computing kpt #: 215 total cpu time spent up to now is 32.3 secs Computing kpt #: 216 total cpu time spent up to now is 32.5 secs Computing kpt #: 217 total cpu time spent up to now is 32.6 secs Computing kpt #: 218 total cpu time spent up to now is 32.8 secs Computing kpt #: 219 total cpu time spent up to now is 33.0 secs Computing kpt #: 220 total cpu time spent up to now is 33.1 secs Computing kpt #: 221 total cpu time spent up to now is 33.3 secs Computing kpt #: 222 total cpu time spent up to now is 33.5 secs Computing kpt #: 223 total cpu time spent up to now is 33.7 secs Computing kpt #: 224 total cpu time spent up to now is 33.9 secs Computing kpt #: 225 total cpu time spent up to now is 34.1 secs Computing kpt #: 226 total cpu time spent up to now is 34.2 secs Computing kpt #: 227 total cpu time spent up to now is 34.4 secs Computing kpt #: 228 total cpu time spent up to now is 34.6 secs Computing kpt #: 229 total cpu time spent up to now is 34.7 secs Computing kpt #: 230 total cpu time spent up to now is 35.5 secs Computing kpt #: 231 total cpu time spent up to now is 35.7 secs Computing kpt #: 232 total cpu time spent up to now is 35.8 secs Computing kpt #: 233 total cpu time spent up to now is 36.0 secs Computing kpt #: 234 total cpu time spent up to now is 36.2 secs Computing kpt #: 235 total cpu time spent up to now is 36.3 secs Computing kpt #: 236 total cpu time spent up to now is 36.5 secs Computing kpt #: 237 total cpu time spent up to now is 36.6 secs Computing kpt #: 238 total cpu time spent up to now is 36.8 secs Computing kpt #: 239 total cpu time spent up to now is 36.9 secs Computing kpt #: 240 total cpu time spent up to now is 37.0 secs Computing kpt #: 241 total cpu time spent up to now is 37.1 secs Computing kpt #: 242 total cpu time spent up to now is 37.3 secs Computing kpt #: 243 total cpu time spent up to now is 37.4 secs Computing kpt #: 244 total cpu time spent up to now is 37.5 secs Computing kpt #: 245 total cpu time spent up to now is 37.6 secs Computing kpt #: 246 total cpu time spent up to now is 37.8 secs Computing kpt #: 247 total cpu time spent up to now is 37.9 secs Computing kpt #: 248 total cpu time spent up to now is 38.0 secs Computing kpt #: 249 total cpu time spent up to now is 38.1 secs Computing kpt #: 250 total cpu time spent up to now is 38.3 secs Computing kpt #: 251 total cpu time spent up to now is 38.4 secs Computing kpt #: 252 total cpu time spent up to now is 38.5 secs Computing kpt #: 253 total cpu time spent up to now is 38.7 secs Computing kpt #: 254 total cpu time spent up to now is 38.8 secs Computing kpt #: 255 total cpu time spent up to now is 39.0 secs Computing kpt #: 256 total cpu time spent up to now is 39.1 secs Computing kpt #: 257 total cpu time spent up to now is 39.3 secs Computing kpt #: 258 total cpu time spent up to now is 39.4 secs Computing kpt #: 259 total cpu time spent up to now is 39.6 secs Computing kpt #: 260 total cpu time spent up to now is 39.7 secs Computing kpt #: 261 total cpu time spent up to now is 40.0 secs Computing kpt #: 262 total cpu time spent up to now is 40.1 secs Computing kpt #: 263 total cpu time spent up to now is 40.3 secs Computing kpt #: 264 total cpu time spent up to now is 40.5 secs Computing kpt #: 265 total cpu time spent up to now is 40.6 secs Computing kpt #: 266 total cpu time spent up to now is 40.8 secs Computing kpt #: 267 total cpu time spent up to now is 41.0 secs Computing kpt #: 268 total cpu time spent up to now is 41.1 secs Computing kpt #: 269 total cpu time spent up to now is 41.3 secs Computing kpt #: 270 total cpu time spent up to now is 41.5 secs Computing kpt #: 271 total cpu time spent up to now is 41.7 secs Computing kpt #: 272 total cpu time spent up to now is 41.9 secs Computing kpt #: 273 total cpu time spent up to now is 42.0 secs Computing kpt #: 274 total cpu time spent up to now is 42.2 secs Computing kpt #: 275 total cpu time spent up to now is 42.4 secs Computing kpt #: 276 total cpu time spent up to now is 42.6 secs Computing kpt #: 277 total cpu time spent up to now is 42.8 secs Computing kpt #: 278 total cpu time spent up to now is 43.0 secs Computing kpt #: 279 total cpu time spent up to now is 43.2 secs Computing kpt #: 280 total cpu time spent up to now is 43.4 secs Computing kpt #: 281 total cpu time spent up to now is 43.6 secs Computing kpt #: 282 total cpu time spent up to now is 43.8 secs Computing kpt #: 283 total cpu time spent up to now is 44.0 secs Computing kpt #: 284 total cpu time spent up to now is 44.1 secs Computing kpt #: 285 total cpu time spent up to now is 44.3 secs Computing kpt #: 286 total cpu time spent up to now is 44.5 secs Computing kpt #: 287 total cpu time spent up to now is 44.7 secs Computing kpt #: 288 total cpu time spent up to now is 44.8 secs Computing kpt #: 289 total cpu time spent up to now is 45.0 secs Computing kpt #: 290 total cpu time spent up to now is 45.2 secs Computing kpt #: 291 total cpu time spent up to now is 45.4 secs Computing kpt #: 292 total cpu time spent up to now is 45.5 secs Computing kpt #: 293 total cpu time spent up to now is 45.7 secs Computing kpt #: 294 total cpu time spent up to now is 45.9 secs Computing kpt #: 295 total cpu time spent up to now is 46.0 secs Computing kpt #: 296 total cpu time spent up to now is 46.2 secs Computing kpt #: 297 total cpu time spent up to now is 46.3 secs Computing kpt #: 298 total cpu time spent up to now is 46.5 secs Computing kpt #: 299 total cpu time spent up to now is 46.6 secs Computing kpt #: 300 total cpu time spent up to now is 46.8 secs Computing kpt #: 301 total cpu time spent up to now is 46.9 secs Computing kpt #: 302 total cpu time spent up to now is 47.0 secs Computing kpt #: 303 total cpu time spent up to now is 47.2 secs Computing kpt #: 304 total cpu time spent up to now is 47.3 secs Computing kpt #: 305 total cpu time spent up to now is 47.4 secs Computing kpt #: 306 total cpu time spent up to now is 47.6 secs Computing kpt #: 307 total cpu time spent up to now is 47.7 secs Computing kpt #: 308 total cpu time spent up to now is 47.8 secs Computing kpt #: 309 total cpu time spent up to now is 47.9 secs Computing kpt #: 310 total cpu time spent up to now is 48.0 secs Computing kpt #: 311 total cpu time spent up to now is 48.2 secs Computing kpt #: 312 total cpu time spent up to now is 48.3 secs Computing kpt #: 313 total cpu time spent up to now is 48.5 secs Computing kpt #: 314 total cpu time spent up to now is 48.6 secs Computing kpt #: 315 total cpu time spent up to now is 48.8 secs Computing kpt #: 316 total cpu time spent up to now is 49.1 secs Computing kpt #: 317 total cpu time spent up to now is 49.3 secs Computing kpt #: 318 total cpu time spent up to now is 49.5 secs Computing kpt #: 319 total cpu time spent up to now is 49.7 secs Computing kpt #: 320 total cpu time spent up to now is 50.0 secs Computing kpt #: 321 total cpu time spent up to now is 50.3 secs Computing kpt #: 322 total cpu time spent up to now is 50.4 secs Computing kpt #: 323 total cpu time spent up to now is 50.8 secs Computing kpt #: 324 total cpu time spent up to now is 51.0 secs Computing kpt #: 325 total cpu time spent up to now is 51.2 secs Computing kpt #: 326 total cpu time spent up to now is 51.4 secs Computing kpt #: 327 total cpu time spent up to now is 51.6 secs Computing kpt #: 328 total cpu time spent up to now is 51.7 secs Computing kpt #: 329 total cpu time spent up to now is 51.9 secs Computing kpt #: 330 total cpu time spent up to now is 52.1 secs Computing kpt #: 331 total cpu time spent up to now is 52.3 secs Computing kpt #: 332 total cpu time spent up to now is 52.4 secs Computing kpt #: 333 total cpu time spent up to now is 52.6 secs Computing kpt #: 334 total cpu time spent up to now is 52.8 secs Computing kpt #: 335 total cpu time spent up to now is 53.0 secs Computing kpt #: 336 total cpu time spent up to now is 53.2 secs Computing kpt #: 337 total cpu time spent up to now is 53.4 secs Computing kpt #: 338 total cpu time spent up to now is 53.6 secs Computing kpt #: 339 total cpu time spent up to now is 53.7 secs Computing kpt #: 340 total cpu time spent up to now is 53.9 secs Computing kpt #: 341 total cpu time spent up to now is 54.0 secs Computing kpt #: 342 total cpu time spent up to now is 54.2 secs Computing kpt #: 343 total cpu time spent up to now is 54.3 secs Computing kpt #: 344 total cpu time spent up to now is 54.5 secs Computing kpt #: 345 total cpu time spent up to now is 54.6 secs Computing kpt #: 346 total cpu time spent up to now is 54.8 secs Computing kpt #: 347 total cpu time spent up to now is 54.9 secs Computing kpt #: 348 total cpu time spent up to now is 55.1 secs Computing kpt #: 349 total cpu time spent up to now is 55.2 secs Computing kpt #: 350 total cpu time spent up to now is 55.4 secs Computing kpt #: 351 total cpu time spent up to now is 55.5 secs Computing kpt #: 352 total cpu time spent up to now is 55.7 secs Computing kpt #: 353 total cpu time spent up to now is 55.8 secs Computing kpt #: 354 total cpu time spent up to now is 56.0 secs Computing kpt #: 355 total cpu time spent up to now is 56.1 secs Computing kpt #: 356 total cpu time spent up to now is 56.2 secs Computing kpt #: 357 total cpu time spent up to now is 56.3 secs Computing kpt #: 358 total cpu time spent up to now is 56.5 secs Computing kpt #: 359 total cpu time spent up to now is 56.6 secs Computing kpt #: 360 total cpu time spent up to now is 56.7 secs ethr = 4.55E-08, avg # of iterations = 16.7 total cpu time spent up to now is 56.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1575 PWs) bands (ev): -36.3950 -36.3950 -15.2743 -15.2743 -14.7618 -14.7618 -14.7618 -14.7618 5.5352 5.5352 7.4322 7.4322 7.4322 7.4322 9.2343 9.2343 9.2343 9.2343 9.9090 9.9090 14.5642 14.5642 14.5642 14.5642 16.5239 16.5239 16.5239 16.5239 16.6227 16.6227 k = 0.0000 0.0106-0.0000 ( 1575 PWs) bands (ev): -36.3950 -36.3950 -15.2744 -15.2744 -14.7619 -14.7619 -14.7618 -14.7618 5.5370 5.5370 7.4326 7.4326 7.4330 7.4330 9.2341 9.2341 9.2344 9.2344 9.9088 9.9088 14.5633 14.5633 14.5643 14.5643 16.5192 16.5192 16.5225 16.5225 16.6200 16.6200 k = 0.0000 0.0213-0.0000 ( 1575 PWs) bands (ev): -36.3949 -36.3949 -15.2745 -15.2745 -14.7623 -14.7623 -14.7617 -14.7617 5.5426 5.5426 7.4337 7.4337 7.4354 7.4354 9.2337 9.2337 9.2348 9.2348 9.9082 9.9082 14.5605 14.5605 14.5644 14.5644 16.5052 16.5052 16.5178 16.5178 16.6124 16.6124 k = 0.0000 0.0319-0.0000 ( 1575 PWs) bands (ev): -36.3949 -36.3949 -15.2748 -15.2748 -14.7630 -14.7630 -14.7617 -14.7617 5.5519 5.5519 7.4355 7.4355 7.4393 7.4393 9.2329 9.2329 9.2355 9.2355 9.9073 9.9073 14.5558 14.5558 14.5646 14.5646 16.4824 16.4824 16.5092 16.5092 16.6009 16.6009 k = 0.0000 0.0426-0.0000 ( 1571 PWs) bands (ev): -36.3948 -36.3948 -15.2752 -15.2752 -14.7638 -14.7638 -14.7616 -14.7616 5.5649 5.5649 7.4380 7.4380 7.4448 7.4448 9.2319 9.2319 9.2364 9.2364 9.9060 9.9060 14.5493 14.5493 14.5648 14.5648 16.4514 16.4514 16.4952 16.4952 16.5872 16.5872 k = 0.0000 0.0532-0.0000 ( 1579 PWs) bands (ev): -36.3946 -36.3946 -15.2757 -15.2757 -14.7650 -14.7650 -14.7615 -14.7615 5.5815 5.5815 7.4412 7.4412 7.4519 7.4519 9.2305 9.2305 9.2376 9.2376 9.9043 9.9043 14.5410 14.5410 14.5648 14.5648 16.4131 16.4131 16.4744 16.4744 16.5732 16.5732 k = 0.0000 0.0638-0.0000 ( 1579 PWs) bands (ev): -36.3944 -36.3944 -15.2763 -15.2763 -14.7664 -14.7664 -14.7614 -14.7614 5.6018 5.6018 7.4451 7.4451 7.4604 7.4604 9.2289 9.2289 9.2390 9.2390 9.9024 9.9024 14.5308 14.5308 14.5644 14.5644 16.3684 16.3684 16.4460 16.4460 16.5603 16.5603 k = 0.0000 0.0745-0.0000 ( 1579 PWs) bands (ev): -36.3942 -36.3942 -15.2770 -15.2770 -14.7680 -14.7680 -14.7613 -14.7613 5.6257 5.6257 7.4497 7.4497 7.4705 7.4705 9.2271 9.2271 9.2406 9.2406 9.9001 9.9001 14.5190 14.5190 14.5635 14.5635 16.3183 16.3183 16.4103 16.4103 16.5488 16.5488 k = 0.0000 0.0851-0.0000 ( 1587 PWs) bands (ev): -36.3940 -36.3940 -15.2778 -15.2778 -14.7699 -14.7699 -14.7611 -14.7611 5.6532 5.6532 7.4549 7.4549 7.4821 7.4821 9.2252 9.2252 9.2424 9.2424 9.8976 9.8976 14.5053 14.5053 14.5617 14.5617 16.2638 16.2638 16.3685 16.3685 16.5381 16.5381 k = 0.0000 0.0957-0.0000 ( 1587 PWs) bands (ev): -36.3937 -36.3937 -15.2787 -15.2787 -14.7719 -14.7719 -14.7610 -14.7610 5.6841 5.6841 7.4608 7.4608 7.4951 7.4951 9.2231 9.2231 9.2445 9.2445 9.8949 9.8949 14.4901 14.4901 14.5587 14.5587 16.2056 16.2056 16.3217 16.3217 16.5278 16.5278 k = 0.0000 0.1064-0.0000 ( 1583 PWs) bands (ev): -36.3935 -36.3935 -15.2797 -15.2797 -14.7741 -14.7741 -14.7608 -14.7608 5.7185 5.7185 7.4672 7.4672 7.5095 7.5095 9.2209 9.2209 9.2467 9.2467 9.8920 9.8920 14.4732 14.4732 14.5543 14.5543 16.1447 16.1447 16.2709 16.2709 16.5175 16.5175 k = 0.0000 0.1170-0.0000 ( 1591 PWs) bands (ev): -36.3932 -36.3932 -15.2808 -15.2808 -14.7766 -14.7766 -14.7606 -14.7606 5.7563 5.7563 7.4743 7.4743 7.5252 7.5252 9.2187 9.2187 9.2490 9.2490 9.8889 9.8889 14.4549 14.4549 14.5477 14.5477 16.0817 16.0817 16.2170 16.2170 16.5070 16.5070 k = 0.0000 0.1277-0.0000 ( 1591 PWs) bands (ev): -36.3928 -36.3928 -15.2820 -15.2820 -14.7792 -14.7792 -14.7603 -14.7603 5.7973 5.7973 7.4819 7.4819 7.5423 7.5423 9.2165 9.2165 9.2515 9.2515 9.8857 9.8857 14.4350 14.4350 14.5387 14.5387 16.0173 16.0173 16.1605 16.1605 16.4961 16.4961 k = 0.0000 0.1383-0.0000 ( 1587 PWs) bands (ev): -36.3925 -36.3925 -15.2833 -15.2833 -14.7819 -14.7819 -14.7601 -14.7601 5.8415 5.8415 7.4900 7.4900 7.5608 7.5608 9.2145 9.2145 9.2542 9.2542 9.8825 9.8825 14.4138 14.4138 14.5266 14.5266 15.9522 15.9522 16.1023 16.1023 16.4847 16.4847 k = 0.0000 0.1489-0.0000 ( 1587 PWs) bands (ev): -36.3921 -36.3921 -15.2847 -15.2847 -14.7848 -14.7848 -14.7598 -14.7598 5.8888 5.8888 7.4986 7.4986 7.5807 7.5807 9.2125 9.2125 9.2568 9.2568 9.8793 9.8793 14.3912 14.3912 14.5107 14.5107 15.8866 15.8866 16.0426 16.0426 16.4729 16.4729 k = 0.0000 0.1596-0.0000 ( 1591 PWs) bands (ev): -36.3917 -36.3917 -15.2862 -15.2862 -14.7878 -14.7878 -14.7596 -14.7596 5.9390 5.9390 7.5077 7.5077 7.6018 7.6018 9.2108 9.2108 9.2596 9.2596 9.8760 9.8760 14.3674 14.3674 14.4904 14.4904 15.8212 15.8212 15.9821 15.9821 16.4607 16.4607 k = 0.0000 0.1702-0.0000 ( 1595 PWs) bands (ev): -36.3913 -36.3913 -15.2878 -15.2878 -14.7909 -14.7909 -14.7593 -14.7593 5.9920 5.9920 7.5171 7.5171 7.6242 7.6242 9.2095 9.2095 9.2623 9.2623 9.8729 9.8729 14.3425 14.3425 14.4650 14.4651 15.7562 15.7562 15.9210 15.9210 16.4481 16.4481 k = 0.0000 0.1809-0.0000 ( 1595 PWs) bands (ev): -36.3908 -36.3908 -15.2895 -15.2895 -14.7941 -14.7941 -14.7590 -14.7590 6.0476 6.0476 7.5269 7.5269 7.6479 7.6479 9.2085 9.2085 9.2651 9.2651 9.8698 9.8698 14.3165 14.3165 14.4336 14.4336 15.6920 15.6920 15.8598 15.8598 16.4350 16.4350 k = 0.0000 0.1915-0.0000 ( 1595 PWs) bands (ev): -36.3904 -36.3904 -15.2912 -15.2912 -14.7973 -14.7973 -14.7587 -14.7587 6.1057 6.1057 7.5370 7.5370 7.6727 7.6727 9.2081 9.2081 9.2679 9.2679 9.8669 9.8669 14.2897 14.2897 14.3953 14.3953 15.6288 15.6288 15.7988 15.7988 16.4217 16.4217 k = 0.0000 0.2021-0.0000 ( 1595 PWs) bands (ev): -36.3899 -36.3899 -15.2930 -15.2930 -14.8006 -14.8006 -14.7584 -14.7584 6.1661 6.1661 7.5475 7.5475 7.6989 7.6989 9.2082 9.2082 9.2706 9.2706 9.8642 9.8642 14.2620 14.2620 14.3495 14.3495 15.5668 15.5668 15.7382 15.7382 16.4080 16.4080 k = 0.0000 0.2128-0.0000 ( 1595 PWs) bands (ev): -36.3895 -36.3895 -15.2949 -15.2949 -14.8039 -14.8039 -14.7581 -14.7581 6.2284 6.2284 7.5581 7.5581 7.7263 7.7263 9.2090 9.2090 9.2733 9.2733 9.8617 9.8617 14.2336 14.2336 14.2955 14.2955 15.5061 15.5061 15.6783 15.6783 16.3940 16.3940 k = 0.0000 0.2234-0.0000 ( 1595 PWs) bands (ev): -36.3890 -36.3890 -15.2968 -15.2968 -14.8073 -14.8073 -14.7577 -14.7577 6.2925 6.2925 7.5690 7.5690 7.7550 7.7550 9.2106 9.2106 9.2759 9.2759 9.8595 9.8595 14.2046 14.2046 14.2327 14.2327 15.4468 15.4468 15.6193 15.6193 16.3799 16.3799 k = 0.0000 0.2340-0.0000 ( 1583 PWs) bands (ev): -36.3885 -36.3885 -15.2987 -15.2987 -14.8105 -14.8105 -14.7574 -14.7574 6.3580 6.3580 7.5800 7.5800 7.7851 7.7851 9.2132 9.2132 9.2784 9.2784 9.8577 9.8577 14.1610 14.1610 14.1752 14.1752 15.3890 15.3890 15.5614 15.5614 16.3656 16.3656 k = 0.0000 0.2447-0.0000 ( 1582 PWs) bands (ev): -36.3880 -36.3880 -15.3008 -15.3008 -14.8139 -14.8139 -14.7570 -14.7570 6.4246 6.4246 7.5910 7.5910 7.8165 7.8165 9.2168 9.2168 9.2808 9.2808 9.8561 9.8561 14.0799 14.0799 14.1454 14.1454 15.3326 15.3326 15.5048 15.5048 16.3512 16.3512 k = 0.0000 0.2553-0.0000 ( 1582 PWs) bands (ev): -36.3876 -36.3876 -15.3029 -15.3029 -14.8172 -14.8172 -14.7567 -14.7567 6.4920 6.4920 7.6021 7.6021 7.8495 7.8495 9.2217 9.2217 9.2830 9.2830 9.8548 9.8548 13.9895 13.9895 14.1153 14.1153 15.2776 15.2776 15.4496 15.4496 16.3368 16.3368 k = 0.0000 0.2660-0.0000 ( 1582 PWs) bands (ev): -36.3871 -36.3871 -15.3050 -15.3050 -14.8204 -14.8204 -14.7564 -14.7564 6.5596 6.5596 7.6132 7.6132 7.8841 7.8841 9.2280 9.2280 9.2852 9.2852 9.8539 9.8539 13.8900 13.8900 14.0852 14.0852 15.2242 15.2242 15.3960 15.3960 16.3225 16.3225 k = 0.0000 0.2766-0.0000 ( 1574 PWs) bands (ev): -36.3866 -36.3866 -15.3071 -15.3071 -14.8235 -14.8235 -14.7560 -14.7560 6.6271 6.6271 7.6242 7.6242 7.9204 7.9204 9.2360 9.2360 9.2872 9.2872 9.8534 9.8534 13.7822 13.7822 14.0552 14.0552 15.1724 15.1724 15.3442 15.3442 16.3082 16.3082 k = 0.0000 0.2872-0.0000 ( 1582 PWs) bands (ev): -36.3861 -36.3861 -15.3092 -15.3092 -14.8267 -14.8267 -14.7558 -14.7558 6.6940 6.6940 7.6350 7.6350 7.9584 7.9584 9.2458 9.2458 9.2890 9.2890 9.8532 9.8532 13.6661 13.6661 14.0253 14.0253 15.1222 15.1222 15.2941 15.2941 16.2941 16.2941 k = 0.0000 0.2979-0.0000 ( 1574 PWs) bands (ev): -36.3857 -36.3857 -15.3113 -15.3113 -14.8296 -14.8296 -14.7554 -14.7554 6.7597 6.7597 7.6458 7.6458 7.9982 7.9982 9.2578 9.2578 9.2907 9.2907 9.8533 9.8533 13.5429 13.5429 13.9957 13.9957 15.0737 15.0737 15.2459 15.2459 16.2802 16.2802 k = 0.0000 0.3085-0.0000 ( 1574 PWs) bands (ev): -36.3852 -36.3852 -15.3135 -15.3135 -14.8326 -14.8326 -14.7551 -14.7551 6.8238 6.8238 7.6563 7.6563 8.0399 8.0399 9.2722 9.2722 9.2922 9.2922 9.8538 9.8538 13.4131 13.4131 13.9666 13.9666 15.0272 15.0272 15.1998 15.1998 16.2666 16.2666 k = 0.0000 0.3191-0.0000 ( 1582 PWs) bands (ev): -36.3848 -36.3848 -15.3156 -15.3156 -14.8354 -14.8354 -14.7548 -14.7548 6.8857 6.8857 7.6665 7.6665 8.0833 8.0833 9.2894 9.2894 9.2936 9.2936 9.8545 9.8545 13.2777 13.2777 13.9381 13.9381 14.9825 14.9825 15.1557 15.1557 16.2533 16.2533 k = 0.0000 0.3298-0.0000 ( 1582 PWs) bands (ev): -36.3843 -36.3843 -15.3177 -15.3177 -14.8381 -14.8381 -14.7545 -14.7545 6.9449 6.9449 7.6764 7.6764 8.1284 8.1284 9.2949 9.2949 9.3099 9.3099 9.8555 9.8555 13.1376 13.1376 13.9103 13.9103 14.9400 14.9400 15.1138 15.1138 16.2405 16.2405 k = 0.0000 0.3404-0.0000 ( 1586 PWs) bands (ev): -36.3839 -36.3839 -15.3197 -15.3197 -14.8407 -14.8407 -14.7542 -14.7542 7.0010 7.0010 7.6859 7.6859 8.1749 8.1749 9.2960 9.2960 9.3341 9.3341 9.8568 9.8568 12.9937 12.9937 13.8833 13.8833 14.8996 14.8996 15.0742 15.0742 16.2281 16.2281 k = 0.0000 0.3511-0.0000 ( 1586 PWs) bands (ev): -36.3835 -36.3835 -15.3217 -15.3217 -14.8431 -14.8431 -14.7539 -14.7539 7.0536 7.0536 7.6951 7.6951 8.2223 8.2223 9.2970 9.2970 9.3626 9.3626 9.8583 9.8583 12.8467 12.8467 13.8574 13.8574 14.8616 14.8616 15.0369 15.0369 16.2162 16.2162 k = 0.0000 0.3617-0.0000 ( 1586 PWs) bands (ev): -36.3831 -36.3831 -15.3236 -15.3236 -14.8454 -14.8454 -14.7537 -14.7537 7.1023 7.1023 7.7038 7.7038 8.2701 8.2701 9.2979 9.2979 9.3959 9.3959 9.8599 9.8599 12.6976 12.6976 13.8326 13.8326 14.8259 14.8259 15.0019 15.0019 16.2049 16.2049 k = 0.0000 0.3723-0.0000 ( 1586 PWs) bands (ev): -36.3828 -36.3828 -15.3254 -15.3254 -14.8476 -14.8476 -14.7534 -14.7534 7.1471 7.1471 7.7120 7.7120 8.3175 8.3175 9.2987 9.2987 9.4346 9.4346 9.8616 9.8616 12.5472 12.5472 13.8090 13.8090 14.7926 14.7926 14.9693 14.9693 16.1942 16.1942 k = 0.0000 0.3830-0.0000 ( 1586 PWs) bands (ev): -36.3824 -36.3824 -15.3271 -15.3271 -14.8495 -14.8495 -14.7532 -14.7532 7.1877 7.1877 7.7196 7.7196 8.3638 8.3638 9.2994 9.2994 9.4793 9.4793 9.8634 9.8634 12.3963 12.3963 13.7868 13.7868 14.7618 14.7618 14.9393 14.9393 16.1841 16.1841 k = 0.0000 0.3936-0.0000 ( 1586 PWs) bands (ev): -36.3821 -36.3821 -15.3287 -15.3287 -14.8514 -14.8514 -14.7530 -14.7530 7.2242 7.2242 7.7268 7.7268 8.4081 8.4081 9.3001 9.3001 9.5304 9.5304 9.8653 9.8653 12.2459 12.2459 13.7661 13.7661 14.7336 14.7336 14.9116 14.9116 16.1748 16.1748 k = 0.0000 0.4043-0.0000 ( 1586 PWs) bands (ev): -36.3818 -36.3818 -15.3302 -15.3302 -14.8530 -14.8530 -14.7528 -14.7528 7.2567 7.2567 7.7333 7.7333 8.4495 8.4495 9.3006 9.3006 9.5880 9.5880 9.8671 9.8671 12.0967 12.0967 13.7471 13.7471 14.7080 14.7080 14.8865 14.8865 16.1662 16.1662 k = 0.0000 0.4149-0.0000 ( 1590 PWs) bands (ev): -36.3816 -36.3816 -15.3315 -15.3315 -14.8546 -14.8546 -14.7526 -14.7526 7.2851 7.2851 7.7392 7.7392 8.4873 8.4873 9.3011 9.3011 9.6519 9.6519 9.8689 9.8689 11.9498 11.9498 13.7297 13.7297 14.6849 14.6849 14.8640 14.8640 16.1584 16.1584 k = 0.0000 0.4255-0.0000 ( 1590 PWs) bands (ev): -36.3814 -36.3814 -15.3328 -15.3328 -14.8559 -14.8559 -14.7525 -14.7525 7.3097 7.3097 7.7445 7.7445 8.5211 8.5211 9.3015 9.3015 9.7218 9.7218 9.8706 9.8706 11.8065 11.8065 13.7141 13.7141 14.6645 14.6645 14.8440 14.8440 16.1515 16.1515 k = 0.0000 0.4362-0.0000 ( 1590 PWs) bands (ev): -36.3812 -36.3812 -15.3338 -15.3338 -14.8570 -14.8570 -14.7523 -14.7523 7.3306 7.3306 7.7492 7.7492 8.5505 8.5505 9.3018 9.3018 9.7963 9.7963 9.8721 9.8721 11.6683 11.6683 13.7004 13.7004 14.6468 14.6468 14.8267 14.8267 16.1454 16.1454 k = 0.0000 0.4468-0.0000 ( 1590 PWs) bands (ev): -36.3810 -36.3810 -15.3348 -15.3348 -14.8580 -14.8580 -14.7522 -14.7522 7.3480 7.3480 7.7531 7.7531 8.5752 8.5752 9.3021 9.3021 9.8735 9.8735 9.8737 9.8737 11.5371 11.5371 13.6887 13.6887 14.6318 14.6318 14.8120 14.8120 16.1402 16.1402 k = 0.0000 0.4574-0.0000 ( 1602 PWs) bands (ev): -36.3808 -36.3808 -15.3356 -15.3356 -14.8589 -14.8589 -14.7522 -14.7522 7.3620 7.3620 7.7563 7.7563 8.5953 8.5953 9.3023 9.3023 9.8746 9.8746 9.9510 9.9510 11.4160 11.4160 13.6789 13.6789 14.6195 14.6195 14.7999 14.7999 16.1359 16.1359 k = 0.0000 0.4681-0.0000 ( 1602 PWs) bands (ev): -36.3807 -36.3807 -15.3362 -15.3362 -14.8595 -14.8595 -14.7521 -14.7521 7.3727 7.3727 7.7589 7.7589 8.6107 8.6107 9.3025 9.3025 9.8756 9.8756 10.0238 10.0238 11.3093 11.3093 13.6713 13.6713 14.6099 14.6099 14.7905 14.7905 16.1325 16.1326 k = 0.0000 0.4787-0.0000 ( 1602 PWs) bands (ev): -36.3806 -36.3806 -15.3366 -15.3366 -14.8599 -14.8599 -14.7521 -14.7521 7.3803 7.3803 7.7607 7.7607 8.6217 8.6217 9.3026 9.3026 9.8763 9.8763 10.0859 10.0859 11.2232 11.2232 13.6658 13.6658 14.6030 14.6030 14.7838 14.7838 16.1301 16.1301 k = 0.0000 0.4894-0.0000 ( 1622 PWs) bands (ev): -36.3806 -36.3806 -15.3370 -15.3370 -14.8603 -14.8603 -14.7521 -14.7521 7.3848 7.3848 7.7618 7.7618 8.6282 8.6282 9.3027 9.3027 9.8767 9.8767 10.1287 10.1287 11.1659 11.1659 13.6625 13.6625 14.5988 14.5988 14.7797 14.7797 16.1287 16.1287 k = 0.0000 0.5000-0.0000 ( 1622 PWs) bands (ev): -36.3806 -36.3806 -15.3371 -15.3371 -14.8604 -14.8604 -14.7521 -14.7521 7.3863 7.3863 7.7621 7.7621 8.6304 8.6304 9.3027 9.3027 9.8768 9.8768 10.1442 10.1442 11.1456 11.1456 13.6614 13.6614 14.5974 14.5974 14.7783 14.7783 16.1282 16.1282 k = 0.0000 0.5000-0.0000 ( 1622 PWs) bands (ev): -36.3806 -36.3806 -15.3371 -15.3371 -14.8604 -14.8604 -14.7521 -14.7521 7.3863 7.3863 7.7621 7.7621 8.6304 8.6304 9.3027 9.3027 9.8768 9.8768 10.1442 10.1442 11.1456 11.1456 13.6614 13.6614 14.5974 14.5974 14.7783 14.7783 16.1282 16.1282 k = 0.0106 0.5000-0.0000 ( 1618 PWs) bands (ev): -36.3806 -36.3806 -15.3371 -15.3371 -14.8604 -14.8604 -14.7521 -14.7521 7.3871 7.3871 7.7623 7.7623 8.6291 8.6291 9.3008 9.3008 9.8743 9.8743 10.1499 10.1499 11.1454 11.1454 13.6632 13.6632 14.5987 14.5987 14.7794 14.7794 16.1285 16.1285 k = 0.0213 0.5000-0.0000 ( 1598 PWs) bands (ev): -36.3805 -36.3805 -15.3370 -15.3370 -14.8604 -14.8604 -14.7522 -14.7522 7.3895 7.3895 7.7628 7.7628 8.6255 8.6255 9.2952 9.2952 9.8674 9.8674 10.1663 10.1663 11.1449 11.1449 13.6687 13.6687 14.6025 14.6025 14.7825 14.7825 16.1294 16.1294 k = 0.0319 0.5000-0.0000 ( 1594 PWs) bands (ev): -36.3805 -36.3805 -15.3371 -15.3371 -14.8605 -14.8605 -14.7526 -14.7526 7.3935 7.3935 7.7637 7.7637 8.6196 8.6196 9.2863 9.2863 9.8569 9.8569 10.1921 10.1921 11.1439 11.1439 13.6776 13.6776 14.6085 14.6085 14.7877 14.7877 16.1308 16.1308 k = 0.0426 0.5000-0.0000 ( 1590 PWs) bands (ev): -36.3804 -36.3804 -15.3372 -15.3372 -14.8606 -14.8606 -14.7531 -14.7531 7.3988 7.3988 7.7649 7.7649 8.6115 8.6115 9.2746 9.2746 9.8438 9.8438 10.2259 10.2259 11.1427 11.1427 13.6901 13.6901 14.6164 14.6164 14.7954 14.7954 16.1329 16.1329 k = 0.0532 0.5000-0.0000 ( 1590 PWs) bands (ev): -36.3802 -36.3802 -15.3374 -15.3374 -14.8608 -14.8608 -14.7538 -14.7538 7.4054 7.4054 7.7666 7.7666 8.6015 8.6015 9.2607 9.2607 9.8287 9.8287 10.2663 10.2663 11.1411 11.1411 13.7060 13.7060 14.6256 14.6256 14.8059 14.8059 16.1354 16.1354 k = 0.0638 0.5000-0.0000 ( 1594 PWs) bands (ev): -36.3801 -36.3801 -15.3376 -15.3376 -14.8611 -14.8611 -14.7546 -14.7546 7.4129 7.4129 7.7687 7.7687 8.5898 8.5898 9.2451 9.2451 9.8122 9.8122 10.3124 10.3124 11.1394 11.1394 13.7251 13.7251 14.6357 14.6357 14.8195 14.8195 16.1385 16.1385 k = 0.0745 0.5000-0.0000 ( 1586 PWs) bands (ev): -36.3799 -36.3799 -15.3378 -15.3378 -14.8614 -14.8614 -14.7555 -14.7555 7.4212 7.4212 7.7715 7.7715 8.5768 8.5768 9.2284 9.2284 9.7944 9.7944 10.3632 10.3632 11.1375 11.1375 13.7477 13.7477 14.6460 14.6460 14.8368 14.8368 16.1422 16.1422 k = 0.0851 0.5000-0.0000 ( 1584 PWs) bands (ev): -36.3797 -36.3797 -15.3380 -15.3380 -14.8618 -14.8618 -14.7565 -14.7565 7.4299 7.4299 7.7747 7.7747 8.5630 8.5630 9.2112 9.2112 9.7755 9.7755 10.4182 10.4182 11.1356 11.1356 13.7734 13.7734 14.6559 14.6559 14.8579 14.8579 16.1464 16.1464 k = 0.0957 0.5000-0.0000 ( 1584 PWs) bands (ev): -36.3795 -36.3795 -15.3383 -15.3383 -14.8623 -14.8623 -14.7576 -14.7576 7.4387 7.4387 7.7785 7.7785 8.5489 8.5489 9.1937 9.1937 9.7556 9.7556 10.4766 10.4766 11.1338 11.1338 13.8021 13.8021 14.6648 14.6648 14.8830 14.8830 16.1510 16.1510 k = 0.1064 0.5000-0.0000 ( 1584 PWs) bands (ev): -36.3792 -36.3792 -15.3387 -15.3387 -14.8628 -14.8628 -14.7588 -14.7588 7.4471 7.4471 7.7827 7.7827 8.5351 8.5351 9.1763 9.1763 9.7348 9.7348 10.5381 10.5381 11.1324 11.1324 13.8336 13.8336 14.6725 14.6725 14.9123 14.9123 16.1561 16.1561 k = 0.1170 0.5000-0.0000 ( 1588 PWs) bands (ev): -36.3789 -36.3789 -15.3391 -15.3391 -14.8634 -14.8634 -14.7601 -14.7601 7.4550 7.4550 7.7872 7.7872 8.5221 8.5221 9.1592 9.1592 9.7132 9.7132 10.6019 10.6019 11.1317 11.1317 13.8678 13.8678 14.6788 14.6788 14.9454 14.9454 16.1617 16.1617 k = 0.1277 0.5000-0.0000 ( 1588 PWs) bands (ev): -36.3786 -36.3786 -15.3395 -15.3395 -14.8641 -14.8641 -14.7614 -14.7614 7.4620 7.4620 7.7916 7.7916 8.5108 8.5108 9.1426 9.1426 9.6911 9.6911 10.6675 10.6675 11.1321 11.1321 13.9046 13.9046 14.6836 14.6836 14.9822 14.9822 16.1677 16.1677 k = 0.1383 0.5000-0.0000 ( 1588 PWs) bands (ev): -36.3783 -36.3783 -15.3400 -15.3400 -14.8649 -14.8649 -14.7628 -14.7628 7.4679 7.4679 7.7955 7.7955 8.5018 8.5018 9.1267 9.1267 9.6685 9.6685 10.7338 10.7338 11.1344 11.1344 13.9437 13.9437 14.6867 14.6867 15.0224 15.0224 16.1741 16.1741 k = 0.1489 0.5000-0.0000 ( 1588 PWs) bands (ev): -36.3780 -36.3780 -15.3405 -15.3405 -14.8657 -14.8657 -14.7641 -14.7641 7.4726 7.4726 7.7984 7.7984 8.4960 8.4960 9.1116 9.1116 9.6457 9.6457 10.7995 10.7995 11.1398 11.1398 13.9849 13.9849 14.6881 14.6881 15.0654 15.0654 16.1808 16.1808 k = 0.1596 0.5000-0.0000 ( 1588 PWs) bands (ev): -36.3776 -36.3776 -15.3411 -15.3411 -14.8667 -14.8667 -14.7655 -14.7655 7.4759 7.4759 7.7996 7.7996 8.4937 8.4937 9.0975 9.0975 9.6229 9.6229 10.8622 10.8622 11.1508 11.1508 14.0282 14.0282 14.6878 14.6878 15.1110 15.1110 16.1879 16.1879 k = 0.1702 0.5000-0.0000 ( 1588 PWs) bands (ev): -36.3773 -36.3773 -15.3417 -15.3417 -14.8677 -14.8677 -14.7669 -14.7669 7.4779 7.4779 7.7986 7.7986 8.4956 8.4956 9.0845 9.0845 9.6004 9.6004 10.9180 10.9180 11.1710 11.1710 14.0730 14.0730 14.6856 14.6856 15.1589 15.1589 16.1953 16.1953 k = 0.1809 0.5000-0.0000 ( 1588 PWs) bands (ev): -36.3769 -36.3769 -15.3424 -15.3424 -14.8689 -14.8689 -14.7682 -14.7682 7.4786 7.4786 7.7950 7.7950 8.5018 8.5018 9.0729 9.0729 9.5785 9.5785 10.9621 10.9621 11.2052 11.2052 14.1193 14.1193 14.6815 14.6815 15.2087 15.2087 16.2029 16.2029 k = 0.1915 0.5000-0.0000 ( 1586 PWs) bands (ev): -36.3765 -36.3765 -15.3430 -15.3430 -14.8701 -14.8701 -14.7695 -14.7695 7.4780 7.4780 7.7885 7.7885 8.5120 8.5120 9.0629 9.0629 9.5576 9.5576 10.9922 10.9922 11.2556 11.2556 14.1669 14.1669 14.6752 14.6752 15.2602 15.2602 16.2108 16.2108 k = 0.2021 0.5000-0.0000 ( 1586 PWs) bands (ev): -36.3761 -36.3761 -15.3438 -15.3438 -14.8714 -14.8714 -14.7707 -14.7707 7.4764 7.4764 7.7790 7.7790 8.5258 8.5258 9.0547 9.0547 9.5383 9.5383 11.0106 11.0106 11.3199 11.3199 14.2152 14.2152 14.6666 14.6666 15.3129 15.3129 16.2189 16.2189 k = 0.2128 0.5000-0.0000 ( 1588 PWs) bands (ev): -36.3757 -36.3757 -15.3446 -15.3446 -14.8729 -14.8729 -14.7718 -14.7718 7.4738 7.4738 7.7666 7.7666 8.5423 8.5423 9.0486 9.0486 9.5210 9.5210 11.0215 11.0215 11.3938 11.3938 14.2641 14.2641 14.6556 14.6556 15.3667 15.3667 16.2271 16.2271 k = 0.2234 0.5000-0.0000 ( 1586 PWs) bands (ev): -36.3753 -36.3753 -15.3454 -15.3454 -14.8744 -14.8744 -14.7729 -14.7729 7.4704 7.4704 7.7517 7.7517 8.5603 8.5603 9.0447 9.0447 9.5064 9.5064 11.0282 11.0282 11.4738 11.4738 14.3131 14.3131 14.6422 14.6422 15.4212 15.4212 16.2355 16.2355 k = 0.2340 0.5000-0.0000 ( 1590 PWs) bands (ev): -36.3748 -36.3748 -15.3462 -15.3462 -14.8759 -14.8759 -14.7740 -14.7740 7.4662 7.4662 7.7346 7.7346 8.5784 8.5784 9.0432 9.0432 9.4956 9.4956 11.0329 11.0329 11.5580 11.5580 14.3613 14.3613 14.6267 14.6267 15.4762 15.4762 16.2440 16.2440 k = 0.2447 0.5000-0.0000 ( 1594 PWs) bands (ev): -36.3744 -36.3744 -15.3471 -15.3471 -14.8776 -14.8776 -14.7749 -14.7749 7.4614 7.4614 7.7158 7.7158 8.5954 8.5954 9.0438 9.0438 9.4895 9.4895 11.0365 11.0365 11.6451 11.6451 14.4078 14.4078 14.6096 14.6096 15.5314 15.5314 16.2525 16.2525 k = 0.2553 0.5000-0.0000 ( 1594 PWs) bands (ev): -36.3740 -36.3740 -15.3480 -15.3480 -14.8793 -14.8793 -14.7758 -14.7758 7.4561 7.4561 7.6956 7.6956 8.6102 8.6102 9.0459 9.0459 9.4894 9.4894 11.0400 11.0400 11.7342 11.7342 14.4493 14.4493 14.5938 14.5938 15.5866 15.5866 16.2611 16.2611 k = 0.2660 0.5000-0.0000 ( 1586 PWs) bands (ev): -36.3736 -36.3736 -15.3489 -15.3489 -14.8810 -14.8810 -14.7765 -14.7765 7.4504 7.4504 7.6744 7.6744 8.6219 8.6219 9.0486 9.0486 9.4966 9.4966 11.0438 11.0438 11.8249 11.8249 14.4770 14.4770 14.5877 14.5877 15.6415 15.6415 16.2697 16.2697 k = 0.2766 0.5000-0.0000 ( 1586 PWs) bands (ev): -36.3731 -36.3731 -15.3499 -15.3499 -14.8828 -14.8828 -14.7772 -14.7772 7.4444 7.4444 7.6526 7.6526 8.6302 8.6302 9.0508 9.0508 9.5121 9.5121 11.0482 11.0482 11.9167 11.9167 14.4769 14.4769 14.6044 14.6044 15.6959 15.6959 16.2782 16.2782 k = 0.2872 0.5000-0.0000 ( 1590 PWs) bands (ev): -36.3727 -36.3727 -15.3509 -15.3509 -14.8846 -14.8846 -14.7778 -14.7778 7.4381 7.4381 7.6305 7.6305 8.6352 8.6352 9.0513 9.0513 9.5364 9.5364 11.0535 11.0535 12.0091 12.0091 14.4538 14.4538 14.6390 14.6390 15.7494 15.7494 16.2867 16.2867 k = 0.2979 0.5000-0.0000 ( 1592 PWs) bands (ev): -36.3723 -36.3723 -15.3519 -15.3519 -14.8865 -14.8865 -14.7783 -14.7783 7.4316 7.4316 7.6084 7.6084 8.6371 8.6371 9.0495 9.0495 9.5694 9.5694 11.0602 11.0602 12.1017 12.1017 14.4196 14.4196 14.6793 14.6793 15.8020 15.8020 16.2951 16.2951 k = 0.3085 0.5000-0.0000 ( 1588 PWs) bands (ev): -36.3719 -36.3719 -15.3528 -15.3528 -14.8882 -14.8882 -14.7787 -14.7787 7.4252 7.4252 7.5865 7.5865 8.6365 8.6365 9.0453 9.0453 9.6102 9.6102 11.0685 11.0685 12.1942 12.1942 14.3788 14.3788 14.7206 14.7206 15.8533 15.8533 16.3034 16.3034 k = 0.3191 0.5000-0.0000 ( 1588 PWs) bands (ev): -36.3715 -36.3715 -15.3538 -15.3538 -14.8900 -14.8900 -14.7791 -14.7791 7.4187 7.4187 7.5650 7.5650 8.6337 8.6337 9.0389 9.0389 9.6575 9.6575 11.0786 11.0786 12.2862 12.2862 14.3330 14.3330 14.7608 14.7608 15.9032 15.9032 16.3116 16.3116 k = 0.3298 0.5000-0.0000 ( 1592 PWs) bands (ev): -36.3711 -36.3711 -15.3548 -15.3548 -14.8918 -14.8918 -14.7795 -14.7795 7.4122 7.4122 7.5440 7.5440 8.6294 8.6294 9.0308 9.0308 9.7099 9.7099 11.0909 11.0909 12.3771 12.3771 14.2831 14.2831 14.7991 14.7991 15.9513 15.9513 16.3197 16.3197 k = 0.3404 0.5000-0.0000 ( 1592 PWs) bands (ev): -36.3708 -36.3708 -15.3558 -15.3558 -14.8935 -14.8935 -14.7797 -14.7797 7.4058 7.4058 7.5238 7.5238 8.6240 8.6240 9.0215 9.0215 9.7657 9.7657 11.1057 11.1057 12.4664 12.4664 14.2298 14.2298 14.8349 14.8349 15.9975 15.9975 16.3276 16.3276 k = 0.3511 0.5000-0.0000 ( 1592 PWs) bands (ev): -36.3704 -36.3704 -15.3568 -15.3568 -14.8952 -14.8952 -14.7799 -14.7799 7.3997 7.3997 7.5044 7.5044 8.6178 8.6178 9.0113 9.0113 9.8235 9.8235 11.1233 11.1233 12.5534 12.5534 14.1736 14.1736 14.8679 14.8679 16.0415 16.0415 16.3354 16.3354 k = 0.3617 0.5000-0.0000 ( 1592 PWs) bands (ev): -36.3701 -36.3701 -15.3577 -15.3577 -14.8967 -14.8967 -14.7801 -14.7801 7.3937 7.3937 7.4859 7.4859 8.6111 8.6111 9.0008 9.0008 9.8818 9.8818 11.1441 11.1441 12.6375 12.6375 14.1153 14.1153 14.8976 14.8976 16.0830 16.0830 16.3431 16.3431 k = 0.3723 0.5000-0.0000 ( 1592 PWs) bands (ev): -36.3698 -36.3698 -15.3586 -15.3586 -14.8983 -14.8983 -14.7802 -14.7802 7.3880 7.3880 7.4685 7.4685 8.6042 8.6042 8.9903 8.9903 9.9393 9.9393 11.1682 11.1682 12.7176 12.7176 14.0560 14.0560 14.9239 14.9239 16.1219 16.1219 16.3507 16.3507 k = 0.3830 0.5000-0.0000 ( 1596 PWs) bands (ev): -36.3695 -36.3695 -15.3595 -15.3595 -14.8997 -14.8997 -14.7803 -14.7803 7.3825 7.3825 7.4523 7.4523 8.5972 8.5972 8.9799 8.9799 9.9948 9.9948 11.1958 11.1958 12.7926 12.7926 13.9969 13.9969 14.9465 14.9465 16.1579 16.1579 16.3583 16.3583 k = 0.3936 0.5000-0.0000 ( 1596 PWs) bands (ev): -36.3692 -36.3692 -15.3603 -15.3603 -14.9010 -14.9010 -14.7804 -14.7804 7.3774 7.3774 7.4372 7.4372 8.5904 8.5904 8.9701 8.9701 10.0473 10.0473 11.2270 11.2270 12.8612 12.8612 13.9395 13.9395 14.9654 14.9654 16.1907 16.1907 16.3660 16.3660 k = 0.4043 0.5000-0.0000 ( 1604 PWs) bands (ev): -36.3689 -36.3689 -15.3611 -15.3611 -14.9023 -14.9023 -14.7805 -14.7805 7.3727 7.3727 7.4234 7.4234 8.5838 8.5838 8.9608 8.9608 10.0959 10.0959 11.2614 11.2614 12.9218 12.9218 13.8857 13.8857 14.9806 14.9806 16.2201 16.2201 16.3737 16.3737 k = 0.4149 0.5000-0.0000 ( 1600 PWs) bands (ev): -36.3687 -36.3687 -15.3617 -15.3617 -14.9034 -14.9034 -14.7805 -14.7805 7.3684 7.3684 7.4110 7.4110 8.5778 8.5778 8.9522 8.9522 10.1399 10.1399 11.2986 11.2986 12.9725 12.9725 13.8376 13.8376 14.9922 14.9922 16.2458 16.2458 16.3817 16.3817 k = 0.4255 0.5000-0.0000 ( 1608 PWs) bands (ev): -36.3685 -36.3685 -15.3624 -15.3624 -14.9044 -14.9044 -14.7805 -14.7805 7.3644 7.3644 7.3999 7.3999 8.5721 8.5721 8.9444 8.9444 10.1789 10.1789 11.3377 11.3377 13.0116 13.0116 13.7976 13.7976 15.0006 15.0006 16.2678 16.2678 16.3899 16.3899 k = 0.4362 0.5000-0.0000 ( 1612 PWs) bands (ev): -36.3683 -36.3683 -15.3630 -15.3630 -14.9053 -14.9053 -14.7805 -14.7805 7.3610 7.3610 7.3902 7.3902 8.5671 8.5671 8.9376 8.9376 10.2125 10.2125 11.3775 11.3775 13.0380 13.0380 13.7673 13.7673 15.0060 15.0060 16.2858 16.2858 16.3981 16.3981 k = 0.4468 0.5000-0.0000 ( 1612 PWs) bands (ev): -36.3682 -36.3682 -15.3635 -15.3635 -14.9061 -14.9061 -14.7805 -14.7805 7.3580 7.3580 7.3820 7.3820 8.5628 8.5628 8.9317 8.9317 10.2407 10.2407 11.4164 11.4164 13.0518 13.0518 13.7474 13.7474 15.0090 15.0090 16.3002 16.3002 16.4063 16.4063 k = 0.4574 0.5000-0.0000 ( 1612 PWs) bands (ev): -36.3681 -36.3681 -15.3639 -15.3639 -14.9067 -14.9067 -14.7805 -14.7805 7.3556 7.3556 7.3752 7.3752 8.5592 8.5592 8.9268 8.9268 10.2635 10.2635 11.4525 11.4525 13.0550 13.0550 13.7369 13.7369 15.0101 15.0101 16.3111 16.3111 16.4139 16.4139 k = 0.4681 0.5000-0.0000 ( 1612 PWs) bands (ev): -36.3680 -36.3680 -15.3642 -15.3642 -14.9071 -14.9071 -14.7805 -14.7805 7.3537 7.3537 7.3700 7.3700 8.5563 8.5563 8.9230 8.9230 10.2810 10.2810 11.4837 11.4837 13.0512 13.0512 13.7332 13.7332 15.0102 15.0102 16.3191 16.3191 16.4204 16.4204 k = 0.4787 0.5000-0.0000 ( 1604 PWs) bands (ev): -36.3679 -36.3679 -15.3644 -15.3644 -14.9074 -14.9074 -14.7805 -14.7805 7.3523 7.3523 7.3662 7.3662 8.5543 8.5543 8.9203 8.9203 10.2933 10.2933 11.5079 11.5079 13.0446 13.0446 13.7335 13.7335 15.0097 15.0097 16.3245 16.3245 16.4254 16.4254 k = 0.4894 0.5000-0.0000 ( 1604 PWs) bands (ev): -36.3678 -36.3678 -15.3645 -15.3645 -14.9076 -14.9076 -14.7805 -14.7805 7.3514 7.3514 7.3640 7.3640 8.5530 8.5530 8.9186 8.9186 10.3007 10.3007 11.5232 11.5232 13.0389 13.0389 13.7349 13.7349 15.0091 15.0091 16.3275 16.3275 16.4286 16.4286 k = 0.5000 0.5000-0.0000 ( 1596 PWs) bands (ev): -36.3678 -36.3678 -15.3645 -15.3645 -14.9077 -14.9077 -14.7805 -14.7805 7.3512 7.3512 7.3632 7.3632 8.5526 8.5526 8.9181 8.9181 10.3031 10.3031 11.5285 11.5285 13.0367 13.0367 13.7355 13.7355 15.0089 15.0089 16.3286 16.3286 16.4297 16.4297 k = 0.5000 0.5000-0.0000 ( 1596 PWs) bands (ev): -36.3678 -36.3678 -15.3645 -15.3645 -14.9077 -14.9077 -14.7805 -14.7805 7.3512 7.3512 7.3632 7.3632 8.5526 8.5526 8.9181 8.9181 10.3031 10.3031 11.5285 11.5285 13.0367 13.0367 13.7355 13.7355 15.0089 15.0089 16.3286 16.3286 16.4297 16.4297 k = 0.4924 0.4924-0.0000 ( 1604 PWs) bands (ev): -36.3678 -36.3678 -15.3645 -15.3645 -14.9076 -14.9076 -14.7805 -14.7805 7.3514 7.3514 7.3640 7.3640 8.5530 8.5530 8.9186 8.9186 10.3006 10.3006 11.5231 11.5231 13.0390 13.0390 13.7348 13.7348 15.0091 15.0091 16.3275 16.3275 16.4286 16.4286 k = 0.4848 0.4848-0.0000 ( 1608 PWs) bands (ev): -36.3679 -36.3679 -15.3644 -15.3644 -14.9075 -14.9075 -14.7805 -14.7805 7.3523 7.3523 7.3663 7.3663 8.5543 8.5543 8.9203 8.9203 10.2933 10.2933 11.5071 11.5071 13.0458 13.0458 13.7328 13.7328 15.0097 15.0097 16.3243 16.3243 16.4255 16.4255 k = 0.4773 0.4773-0.0000 ( 1612 PWs) bands (ev): -36.3680 -36.3680 -15.3642 -15.3642 -14.9071 -14.9071 -14.7805 -14.7805 7.3535 7.3535 7.3702 7.3702 8.5563 8.5563 8.9231 8.9231 10.2811 10.2811 11.4807 11.4807 13.0568 13.0568 13.7298 13.7298 15.0106 15.0106 16.3186 16.3186 16.4207 16.4207 k = 0.4697 0.4697-0.0000 ( 1612 PWs) bands (ev): -36.3681 -36.3681 -15.3639 -15.3639 -14.9066 -14.9066 -14.7805 -14.7805 7.3551 7.3551 7.3758 7.3758 8.5593 8.5593 8.9269 8.9269 10.2643 10.2643 11.4443 11.4443 13.0715 13.0715 13.7263 13.7263 15.0113 15.0113 16.3097 16.3097 16.4151 16.4151 k = 0.4621 0.4621-0.0000 ( 1612 PWs) bands (ev): -36.3682 -36.3682 -15.3634 -15.3634 -14.9060 -14.9060 -14.7805 -14.7805 7.3571 7.3571 7.3830 7.3830 8.5629 8.5629 8.9318 8.9318 10.2431 10.2431 11.3985 11.3985 13.0894 13.0894 13.7230 13.7230 15.0116 15.0116 16.2970 16.2970 16.4093 16.4093 k = 0.4545 0.4545-0.0000 ( 1608 PWs) bands (ev): -36.3683 -36.3683 -15.3629 -15.3629 -14.9052 -14.9052 -14.7806 -14.7806 7.3593 7.3593 7.3918 7.3918 8.5674 8.5674 8.9377 8.9377 10.2178 10.2178 11.3440 11.3440 13.1097 13.1097 13.7207 13.7207 15.0110 15.0110 16.2802 16.2802 16.4040 16.4040 k = 0.4470 0.4470-0.0000 ( 1604 PWs) bands (ev): -36.3685 -36.3685 -15.3623 -15.3623 -14.9043 -14.9043 -14.7805 -14.7805 7.3618 7.3618 7.4021 7.4021 8.5725 8.5725 8.9446 8.9446 10.1887 10.1887 11.2815 11.2815 13.1317 13.1317 13.7199 13.7199 15.0093 15.0093 16.2589 16.2589 16.3995 16.3995 k = 0.4394 0.4394-0.0000 ( 1604 PWs) bands (ev): -36.3687 -36.3687 -15.3616 -15.3616 -14.9033 -14.9033 -14.7806 -14.7806 7.3645 7.3645 7.4137 7.4137 8.5783 8.5783 8.9523 8.9523 10.1561 10.1561 11.2117 11.2117 13.1548 13.1548 13.7216 13.7216 15.0060 15.0060 16.2335 16.2335 16.3961 16.3961 k = 0.4318 0.4318-0.0000 ( 1596 PWs) bands (ev): -36.3690 -36.3690 -15.3608 -15.3608 -14.9020 -14.9020 -14.7805 -14.7805 7.3674 7.3674 7.4267 7.4267 8.5846 8.5846 8.9607 8.9607 10.1204 10.1204 11.1354 11.1354 13.1782 13.1782 13.7262 13.7262 15.0010 15.0010 16.2041 16.2041 16.3935 16.3935 k = 0.4242 0.4242-0.0000 ( 1596 PWs) bands (ev): -36.3692 -36.3692 -15.3599 -15.3599 -14.9007 -14.9007 -14.7805 -14.7805 7.3703 7.3703 7.4409 7.4409 8.5913 8.5913 8.9698 8.9698 10.0819 10.0819 11.0536 11.0536 13.2014 13.2014 13.7342 13.7342 14.9941 14.9941 16.1714 16.1714 16.3916 16.3916 k = 0.4167 0.4167-0.0000 ( 1596 PWs) bands (ev): -36.3695 -36.3695 -15.3590 -15.3590 -14.8993 -14.8993 -14.7805 -14.7805 7.3732 7.3732 7.4562 7.4562 8.5984 8.5984 8.9794 8.9794 10.0412 10.0412 10.9670 10.9670 13.2240 13.2240 13.7460 13.7460 14.9853 14.9853 16.1356 16.1356 16.3903 16.3903 k = 0.4091 0.4091-0.0000 ( 1596 PWs) bands (ev): -36.3699 -36.3699 -15.3580 -15.3580 -14.8977 -14.8977 -14.7805 -14.7805 7.3760 7.3760 7.4724 7.4724 8.6057 8.6057 8.9893 8.9893 9.9986 9.9986 10.8766 10.8766 13.2458 13.2458 13.7616 13.7616 14.9744 14.9744 16.0974 16.0974 16.3894 16.3894 k = 0.4015 0.4015-0.0000 ( 1594 PWs) bands (ev): -36.3702 -36.3702 -15.3568 -15.3568 -14.8960 -14.8960 -14.7805 -14.7805 7.3787 7.3787 7.4895 7.4895 8.6130 8.6130 8.9993 8.9993 9.9546 9.9546 10.7834 10.7834 13.2668 13.2668 13.7808 13.7808 14.9617 14.9617 16.0571 16.0571 16.3890 16.3890 k = 0.3939 0.3939-0.0000 ( 1594 PWs) bands (ev): -36.3706 -36.3706 -15.3556 -15.3556 -14.8942 -14.8942 -14.7805 -14.7805 7.3811 7.3811 7.5071 7.5071 8.6202 8.6202 9.0091 9.0091 9.9096 9.9096 10.6881 10.6881 13.2870 13.2870 13.8033 13.8033 14.9471 14.9471 16.0151 16.0151 16.3888 16.3888 k = 0.3864 0.3864-0.0000 ( 1604 PWs) bands (ev): -36.3710 -36.3710 -15.3544 -15.3544 -14.8923 -14.8923 -14.7805 -14.7805 7.3830 7.3830 7.5253 7.5253 8.6269 8.6269 9.0185 9.0185 9.8643 9.8643 10.5918 10.5918 13.3067 13.3067 13.8286 13.8286 14.9310 14.9310 15.9718 15.9718 16.3889 16.3889 k = 0.3788 0.3788-0.0000 ( 1604 PWs) bands (ev): -36.3714 -36.3714 -15.3531 -15.3531 -14.8902 -14.8902 -14.7804 -14.7804 7.3845 7.3845 7.5438 7.5438 8.6329 8.6329 9.0270 9.0270 9.8191 9.8191 10.4954 10.4954 13.3264 13.3264 13.8564 13.8564 14.9135 14.9135 15.9277 15.9277 16.3892 16.3892 k = 0.3712 0.3712-0.0000 ( 1604 PWs) bands (ev): -36.3718 -36.3718 -15.3516 -15.3516 -14.8881 -14.8881 -14.7804 -14.7804 7.3853 7.3853 7.5624 7.5624 8.6377 8.6377 9.0343 9.0343 9.7749 9.7749 10.3997 10.3997 13.3464 13.3464 13.8858 13.8858 14.8949 14.8949 15.8831 15.8831 16.3898 16.3898 k = 0.3636 0.3636-0.0000 ( 1604 PWs) bands (ev): -36.3723 -36.3723 -15.3501 -15.3501 -14.8858 -14.8858 -14.7803 -14.7803 7.3852 7.3852 7.5810 7.5810 8.6407 8.6407 9.0398 9.0398 9.7325 9.7325 10.3059 10.3059 13.3671 13.3671 13.9164 13.9164 14.8754 14.8754 15.8384 15.8384 16.3905 16.3905 k = 0.3561 0.3561-0.0000 ( 1604 PWs) bands (ev): -36.3728 -36.3728 -15.3486 -15.3486 -14.8834 -14.8834 -14.7802 -14.7802 7.3842 7.3842 7.5993 7.5993 8.6413 8.6413 9.0433 9.0433 9.6928 9.6928 10.2146 10.2146 13.3889 13.3889 13.9478 13.9478 14.8554 14.8554 15.7940 15.7940 16.3915 16.3915 k = 0.3485 0.3485-0.0000 ( 1604 PWs) bands (ev): -36.3733 -36.3733 -15.3469 -15.3469 -14.8808 -14.8808 -14.7801 -14.7801 7.3819 7.3819 7.6171 7.6171 8.6385 8.6385 9.0445 9.0445 9.6568 9.6568 10.1269 10.1269 13.4120 13.4120 13.9793 13.9793 14.8350 14.8350 15.7502 15.7502 16.3927 16.3927 k = 0.3409 0.3409-0.0000 ( 1602 PWs) bands (ev): -36.3738 -36.3738 -15.3452 -15.3452 -14.8782 -14.8782 -14.7800 -14.7800 7.3782 7.3782 7.6342 7.6342 8.6313 8.6313 9.0433 9.0433 9.6253 9.6253 10.0436 10.0436 13.4367 13.4367 14.0106 14.0106 14.8147 14.8147 15.7073 15.7073 16.3940 16.3940 k = 0.3333 0.3333-0.0000 ( 1602 PWs) bands (ev): -36.3743 -36.3743 -15.3435 -15.3435 -14.8755 -14.8755 -14.7799 -14.7799 7.3728 7.3728 7.6505 7.6505 8.6184 8.6184 9.0403 9.0403 9.5991 9.5991 9.9653 9.9653 13.4634 13.4634 14.0415 14.0415 14.7947 14.7947 15.6658 15.6658 16.3956 16.3956 k = 0.3258 0.3258-0.0000 ( 1602 PWs) bands (ev): -36.3749 -36.3749 -15.3417 -15.3417 -14.8727 -14.8727 -14.7797 -14.7797 7.3653 7.3653 7.6656 7.6656 8.5987 8.5987 9.0364 9.0364 9.5783 9.5783 9.8928 9.8928 13.4922 13.4922 14.0716 14.0716 14.7753 14.7753 15.6258 15.6258 16.3973 16.3973 k = 0.3182 0.3182-0.0000 ( 1606 PWs) bands (ev): -36.3754 -36.3754 -15.3398 -15.3398 -14.8698 -14.8698 -14.7796 -14.7796 7.3555 7.3555 7.6794 7.6794 8.5714 8.5714 9.0326 9.0326 9.5624 9.5624 9.8270 9.8270 13.5231 13.5231 14.1007 14.1007 14.7569 14.7569 15.5878 15.5878 16.3992 16.3992 k = 0.3106 0.3106-0.0000 ( 1602 PWs) bands (ev): -36.3760 -36.3760 -15.3379 -15.3379 -14.8668 -14.8668 -14.7793 -14.7793 7.3431 7.3431 7.6918 7.6918 8.5363 8.5363 9.0302 9.0302 9.5498 9.5498 9.7688 9.7688 13.5565 13.5565 14.1287 14.1287 14.7397 14.7397 15.5521 15.5521 16.4014 16.4014 k = 0.3030 0.3030-0.0000 ( 1602 PWs) bands (ev): -36.3766 -36.3766 -15.3359 -15.3359 -14.8637 -14.8637 -14.7791 -14.7791 7.3276 7.3276 7.7024 7.7024 8.4941 8.4941 9.0298 9.0298 9.5381 9.5381 9.7201 9.7201 13.5922 13.5922 14.1554 14.1554 14.7240 14.7240 15.5189 15.5189 16.4037 16.4037 k = 0.2955 0.2955-0.0000 ( 1590 PWs) bands (ev): -36.3772 -36.3772 -15.3339 -15.3339 -14.8605 -14.8605 -14.7787 -14.7787 7.3085 7.3085 7.7113 7.7113 8.4461 8.4461 9.0319 9.0319 9.5237 9.5237 9.6834 9.6834 13.6303 13.6303 14.1809 14.1809 14.7101 14.7101 15.4885 15.4885 16.4063 16.4063 k = 0.2879 0.2879-0.0000 ( 1588 PWs) bands (ev): -36.3778 -36.3778 -15.3318 -15.3318 -14.8573 -14.8573 -14.7785 -14.7785 7.2856 7.2856 7.7181 7.7181 8.3938 8.3938 9.0364 9.0364 9.5035 9.5035 9.6608 9.6608 13.6707 13.6707 14.2049 14.2049 14.6984 14.6984 15.4611 15.4611 16.4091 16.4091 k = 0.2803 0.2803-0.0000 ( 1588 PWs) bands (ev): -36.3785 -36.3785 -15.3297 -15.3297 -14.8540 -14.8540 -14.7781 -14.7781 7.2582 7.2582 7.7229 7.7229 8.3392 8.3392 9.0428 9.0428 9.4774 9.4774 9.6513 9.6513 13.7133 13.7133 14.2275 14.2275 14.6892 14.6892 15.4370 15.4370 16.4121 16.4121 k = 0.2727 0.2727-0.0000 ( 1588 PWs) bands (ev): -36.3791 -36.3791 -15.3276 -15.3276 -14.8507 -14.8507 -14.7778 -14.7778 7.2261 7.2261 7.7257 7.7257 8.2838 8.2838 9.0510 9.0510 9.4483 9.4483 9.6512 9.6512 13.7579 13.7579 14.2488 14.2488 14.6828 14.6828 15.4164 15.4164 16.4152 16.4152 k = 0.2652 0.2652-0.0000 ( 1590 PWs) bands (ev): -36.3797 -36.3797 -15.3255 -15.3255 -14.8474 -14.8474 -14.7775 -14.7775 7.1889 7.1889 7.7264 7.7264 8.2291 8.2291 9.0605 9.0605 9.4188 9.4188 9.6569 9.6569 13.8043 13.8043 14.2688 14.2688 14.6796 14.6796 15.3995 15.3995 16.4186 16.4186 k = 0.2576 0.2576-0.0000 ( 1582 PWs) bands (ev): -36.3804 -36.3804 -15.3233 -15.3233 -14.8439 -14.8439 -14.7770 -14.7770 7.1467 7.1467 7.7250 7.7250 8.1763 8.1763 9.0710 9.0710 9.3908 9.3908 9.6661 9.6661 13.8521 13.8521 14.2877 14.2877 14.6801 14.6801 15.3866 15.3866 16.4222 16.4222 k = 0.2500 0.2500-0.0000 ( 1582 PWs) bands (ev): -36.3810 -36.3810 -15.3212 -15.3212 -14.8405 -14.8405 -14.7766 -14.7766 7.0991 7.0991 7.7218 7.7218 8.1261 8.1261 9.0821 9.0821 9.3650 9.3650 9.6774 9.6774 13.9006 13.9006 14.3054 14.3054 14.6847 14.6847 15.3777 15.3777 16.4261 16.4261 k = 0.2424 0.2424-0.0000 ( 1582 PWs) bands (ev): -36.3817 -36.3817 -15.3190 -15.3190 -14.8370 -14.8370 -14.7762 -14.7762 7.0466 7.0466 7.7168 7.7168 8.0790 8.0790 9.0936 9.0936 9.3417 9.3417 9.6898 9.6898 13.9494 13.9494 14.3223 14.3223 14.6939 14.6939 15.3729 15.3729 16.4301 16.4301 k = 0.2348 0.2348-0.0000 ( 1582 PWs) bands (ev): -36.3823 -36.3823 -15.3169 -15.3169 -14.8335 -14.8335 -14.7757 -14.7757 6.9896 6.9896 7.7103 7.7103 8.0350 8.0350 9.1052 9.1052 9.3210 9.3210 9.7029 9.7029 13.9976 13.9976 14.3384 14.3384 14.7083 14.7083 15.3725 15.3725 16.4342 16.4342 k = 0.2273 0.2273-0.0000 ( 1584 PWs) bands (ev): -36.3830 -36.3830 -15.3147 -15.3147 -14.8300 -14.8300 -14.7752 -14.7752 6.9286 6.9286 7.7024 7.7024 7.9941 7.9941 9.1169 9.1169 9.3029 9.3029 9.7162 9.7162 14.0444 14.0444 14.3540 14.3540 14.7286 14.7286 15.3764 15.3764 16.4386 16.4386 k = 0.2197 0.2197-0.0000 ( 1584 PWs) bands (ev): -36.3836 -36.3836 -15.3125 -15.3125 -14.8265 -14.8265 -14.7747 -14.7747 6.8643 6.8643 7.6933 7.6933 7.9561 7.9561 9.1283 9.1283 9.2873 9.2873 9.7295 9.7295 14.0889 14.0889 14.3691 14.3691 14.7555 14.7555 15.3848 15.3848 16.4432 16.4432 k = 0.2121 0.2121-0.0000 ( 1584 PWs) bands (ev): -36.3842 -36.3842 -15.3104 -15.3104 -14.8230 -14.8230 -14.7742 -14.7742 6.7973 6.7973 7.6833 7.6833 7.9206 7.9206 9.1394 9.1394 9.2740 9.2740 9.7425 9.7425 14.1304 14.1304 14.3839 14.3839 14.7895 14.7895 15.3977 15.3977 16.4479 16.4479 k = 0.2045 0.2045-0.0000 ( 1588 PWs) bands (ev): -36.3849 -36.3849 -15.3083 -15.3083 -14.8196 -14.8196 -14.7737 -14.7737 6.7284 6.7284 7.6725 7.6725 7.8872 7.8872 9.1501 9.1501 9.2629 9.2629 9.7552 9.7552 14.1682 14.1682 14.3984 14.3984 14.8310 14.8311 15.4150 15.4150 16.4527 16.4527 k = 0.1970 0.1970-0.0000 ( 1588 PWs) bands (ev): -36.3855 -36.3855 -15.3062 -15.3062 -14.8161 -14.8161 -14.7731 -14.7731 6.6584 6.6584 7.6611 7.6611 7.8556 7.8556 9.1601 9.1601 9.2537 9.2537 9.7675 9.7675 14.2023 14.2023 14.4124 14.4124 14.8802 14.8802 15.4369 15.4369 16.4577 16.4577 k = 0.1894 0.1894-0.0000 ( 1590 PWs) bands (ev): -36.3861 -36.3861 -15.3041 -15.3041 -14.8127 -14.8127 -14.7725 -14.7725 6.5877 6.5877 7.6492 7.6492 7.8256 7.8256 9.1694 9.1694 9.2464 9.2464 9.7792 9.7792 14.2326 14.2326 14.4258 14.4258 14.9366 14.9366 15.4632 15.4632 16.4628 16.4628 k = 0.1818 0.1818-0.0000 ( 1590 PWs) bands (ev): -36.3867 -36.3867 -15.3021 -15.3021 -14.8093 -14.8093 -14.7719 -14.7719 6.5171 6.5171 7.6370 7.6370 7.7969 7.7969 9.1780 9.1780 9.2407 9.2407 9.7903 9.7903 14.2596 14.2596 14.4386 14.4386 14.9997 14.9997 15.4939 15.4939 16.4680 16.4680 k = 0.1742 0.1742-0.0000 ( 1590 PWs) bands (ev): -36.3873 -36.3873 -15.3001 -15.3001 -14.8060 -14.8060 -14.7713 -14.7713 6.4469 6.4469 7.6245 7.6245 7.7694 7.7694 9.1857 9.1857 9.2365 9.2365 9.8009 9.8009 14.2839 14.2839 14.4506 14.4506 15.0687 15.0687 15.5289 15.5289 16.4733 16.4733 k = 0.1667 0.1667-0.0000 ( 1602 PWs) bands (ev): -36.3879 -36.3879 -15.2982 -15.2982 -14.8028 -14.8028 -14.7708 -14.7708 6.3777 6.3777 7.6119 7.6119 7.7428 7.7428 9.1924 9.1924 9.2336 9.2336 9.8109 9.8109 14.3060 14.3060 14.4617 14.4617 15.1425 15.1425 15.5679 15.5679 16.4787 16.4787 k = 0.1591 0.1591-0.0000 ( 1590 PWs) bands (ev): -36.3885 -36.3885 -15.2962 -15.2962 -14.7996 -14.7996 -14.7701 -14.7701 6.3098 6.3098 7.5993 7.5993 7.7173 7.7173 9.1981 9.1981 9.2320 9.2320 9.8203 9.8203 14.3265 14.3265 14.4722 14.4722 15.2204 15.2204 15.6110 15.6110 16.4841 16.4841 k = 0.1515 0.1515-0.0000 ( 1590 PWs) bands (ev): -36.3890 -36.3890 -15.2944 -15.2944 -14.7964 -14.7964 -14.7695 -14.7695 6.2435 6.2435 7.5867 7.5867 7.6926 7.6926 9.2029 9.2029 9.2315 9.2315 9.8291 9.8291 14.3456 14.3456 14.4819 14.4819 15.3013 15.3013 15.6579 15.6579 16.4895 16.4895 k = 0.1439 0.1439-0.0000 ( 1596 PWs) bands (ev): -36.3896 -36.3896 -15.2926 -15.2926 -14.7934 -14.7934 -14.7689 -14.7689 6.1793 6.1793 7.5742 7.5742 7.6689 7.6689 9.2067 9.2067 9.2319 9.2319 9.8373 9.8373 14.3638 14.3638 14.4907 14.4907 15.3842 15.3842 15.7082 15.7082 16.4950 16.4950 k = 0.1364 0.1364-0.0000 ( 1590 PWs) bands (ev): -36.3901 -36.3901 -15.2908 -15.2908 -14.7904 -14.7904 -14.7683 -14.7683 6.1172 6.1172 7.5619 7.5619 7.6462 7.6462 9.2098 9.2098 9.2329 9.2329 9.8451 9.8451 14.3812 14.3812 14.4990 14.4990 15.4685 15.4685 15.7619 15.7619 16.5004 16.5004 k = 0.1288 0.1288-0.0000 ( 1594 PWs) bands (ev): -36.3906 -36.3906 -15.2892 -15.2892 -14.7876 -14.7876 -14.7677 -14.7677 6.0575 6.0575 7.5498 7.5498 7.6243 7.6243 9.2123 9.2123 9.2342 9.2342 9.8523 9.8523 14.3980 14.3980 14.5066 14.5066 15.5532 15.5532 15.8184 15.8184 16.5058 16.5058 k = 0.1212 0.1212-0.0000 ( 1594 PWs) bands (ev): -36.3911 -36.3911 -15.2876 -15.2876 -14.7849 -14.7849 -14.7672 -14.7672 6.0005 6.0005 7.5379 7.5379 7.6035 7.6035 9.2144 9.2144 9.2355 9.2355 9.8590 9.8590 14.4142 14.4142 14.5136 14.5136 15.6378 15.6378 15.8775 15.8775 16.5111 16.5111 k = 0.1136 0.1136-0.0000 ( 1599 PWs) bands (ev): -36.3915 -36.3915 -15.2861 -15.2861 -14.7823 -14.7823 -14.7666 -14.7666 5.9462 5.9462 7.5265 7.5265 7.5836 7.5836 9.2164 9.2164 9.2367 9.2367 9.8651 9.8651 14.4298 14.4298 14.5200 14.5200 15.7216 15.7216 15.9384 15.9384 16.5163 16.5163 k = 0.1061 0.1061-0.0000 ( 1599 PWs) bands (ev): -36.3920 -36.3920 -15.2847 -15.2847 -14.7799 -14.7799 -14.7661 -14.7661 5.8949 5.8949 7.5154 7.5154 7.5649 7.5649 9.2183 9.2183 9.2376 9.2376 9.8709 9.8709 14.4450 14.4450 14.5259 14.5259 15.8040 15.8040 16.0008 16.0008 16.5215 16.5215 k = 0.0985 0.0985-0.0000 ( 1591 PWs) bands (ev): -36.3924 -36.3924 -15.2833 -15.2833 -14.7775 -14.7775 -14.7655 -14.7655 5.8467 5.8467 7.5049 7.5049 7.5473 7.5473 9.2202 9.2202 9.2383 9.2383 9.8762 9.8762 14.4596 14.4596 14.5314 14.5314 15.8845 15.8845 16.0637 16.0637 16.5266 16.5266 k = 0.0909 0.0909-0.0000 ( 1593 PWs) bands (ev): -36.3927 -36.3927 -15.2820 -15.2820 -14.7753 -14.7753 -14.7650 -14.7650 5.8016 5.8016 7.4948 7.4948 7.5307 7.5307 9.2219 9.2219 9.2386 9.2386 9.8811 9.8811 14.4736 14.4736 14.5364 14.5364 15.9627 15.9627 16.1264 16.1264 16.5317 16.5317 k = 0.0833 0.0833-0.0000 ( 1589 PWs) bands (ev): -36.3931 -36.3931 -15.2808 -15.2808 -14.7732 -14.7732 -14.7645 -14.7645 5.7598 5.7598 7.4854 7.4854 7.5154 7.5154 9.2237 9.2237 9.2387 9.2387 9.8856 9.8856 14.4868 14.4868 14.5409 14.5409 16.0383 16.0383 16.1880 16.1880 16.5367 16.5367 k = 0.0758 0.0758-0.0000 ( 1587 PWs) bands (ev): -36.3934 -36.3934 -15.2797 -15.2797 -14.7713 -14.7713 -14.7641 -14.7641 5.7214 5.7214 7.4766 7.4766 7.5013 7.5013 9.2253 9.2253 9.2385 9.2385 9.8897 9.8897 14.4993 14.4993 14.5450 14.5450 16.1106 16.1106 16.2475 16.2475 16.5418 16.5418 k = 0.0682 0.0682-0.0000 ( 1589 PWs) bands (ev): -36.3937 -36.3937 -15.2787 -15.2787 -14.7695 -14.7695 -14.7637 -14.7637 5.6864 5.6864 7.4685 7.4685 7.4884 7.4884 9.2269 9.2269 9.2382 9.2382 9.8933 9.8933 14.5109 14.5109 14.5487 14.5487 16.1794 16.1794 16.3037 16.3037 16.5470 16.5470 k = 0.0606 0.0606-0.0000 ( 1579 PWs) bands (ev): -36.3940 -36.3940 -15.2778 -15.2778 -14.7679 -14.7679 -14.7632 -14.7632 5.6550 5.6550 7.4611 7.4611 7.4767 7.4767 9.2283 9.2283 9.2377 9.2377 9.8966 9.8966 14.5216 14.5216 14.5520 14.5520 16.2441 16.2441 16.3556 16.3556 16.5526 16.5526 k = 0.0530 0.0530-0.0000 ( 1579 PWs) bands (ev): -36.3942 -36.3942 -15.2770 -15.2770 -14.7665 -14.7665 -14.7629 -14.7629 5.6271 5.6271 7.4545 7.4545 7.4664 7.4664 9.2297 9.2297 9.2372 9.2372 9.8995 9.8995 14.5312 14.5312 14.5549 14.5549 16.3040 16.3040 16.4019 16.4019 16.5589 16.5589 k = 0.0455 0.0455-0.0000 ( 1583 PWs) bands (ev): -36.3944 -36.3944 -15.2763 -15.2763 -14.7653 -14.7653 -14.7626 -14.7626 5.6028 5.6028 7.4487 7.4487 7.4574 7.4574 9.2308 9.2308 9.2365 9.2365 9.9020 9.9020 14.5397 14.5397 14.5573 14.5573 16.3584 16.3584 16.4415 16.4415 16.5666 16.5666 k = 0.0379 0.0379-0.0000 ( 1575 PWs) bands (ev): -36.3946 -36.3946 -15.2757 -15.2757 -14.7642 -14.7642 -14.7624 -14.7624 5.5822 5.5822 7.4437 7.4437 7.4498 7.4498 9.2319 9.2319 9.2360 9.2360 9.9041 9.9041 14.5471 14.5471 14.5595 14.5595 16.4065 16.4065 16.4728 16.4728 16.5764 16.5764 k = 0.0303 0.0303-0.0000 ( 1573 PWs) bands (ev): -36.3948 -36.3948 -15.2752 -15.2752 -14.7633 -14.7633 -14.7622 -14.7622 5.5653 5.5653 7.4396 7.4396 7.4434 7.4434 9.2328 9.2328 9.2354 9.2354 9.9059 9.9059 14.5532 14.5532 14.5612 14.5612 16.4474 16.4474 16.4953 16.4953 16.5883 16.5883 k = 0.0227 0.0227-0.0000 ( 1573 PWs) bands (ev): -36.3949 -36.3949 -15.2748 -15.2748 -14.7626 -14.7626 -14.7620 -14.7620 5.5521 5.5521 7.4364 7.4364 7.4385 7.4385 9.2334 9.2334 9.2350 9.2350 9.9072 9.9072 14.5580 14.5580 14.5625 14.5625 16.4802 16.4802 16.5098 16.5098 16.6011 16.6011 k = 0.0152 0.0152-0.0000 ( 1575 PWs) bands (ev): -36.3949 -36.3949 -15.2745 -15.2745 -14.7622 -14.7622 -14.7619 -14.7619 5.5427 5.5427 7.4341 7.4341 7.4350 7.4350 9.2339 9.2339 9.2346 9.2346 9.9082 9.9082 14.5614 14.5614 14.5635 14.5635 16.5043 16.5043 16.5182 16.5182 16.6124 16.6124 k = 0.0076 0.0076-0.0000 ( 1575 PWs) bands (ev): -36.3950 -36.3950 -15.2744 -15.2744 -14.7619 -14.7619 -14.7618 -14.7618 5.5371 5.5371 7.4327 7.4327 7.4329 7.4329 9.2342 9.2342 9.2344 9.2344 9.9088 9.9088 14.5635 14.5635 14.5640 14.5640 16.5190 16.5190 16.5226 16.5226 16.6200 16.6200 k = 0.0000 0.0000 0.0000 ( 1575 PWs) bands (ev): -36.3950 -36.3950 -15.2743 -15.2743 -14.7618 -14.7618 -14.7618 -14.7618 5.5352 5.5352 7.4322 7.4322 7.4322 7.4322 9.2343 9.2343 9.2343 9.2343 9.9090 9.9090 14.5642 14.5642 14.5642 14.5642 16.5239 16.5239 16.5239 16.5239 16.6227 16.6227 k = 0.0000 0.0000 0.0000 ( 1575 PWs) bands (ev): -36.3950 -36.3950 -15.2743 -15.2743 -14.7618 -14.7618 -14.7618 -14.7618 5.5352 5.5352 7.4322 7.4322 7.4322 7.4322 9.2343 9.2343 9.2343 9.2343 9.9090 9.9090 14.5642 14.5642 14.5642 14.5642 16.5239 16.5239 16.5239 16.5239 16.6227 16.6227 k = 0.0062 0.0062 0.0062 ( 1575 PWs) bands (ev): -36.3950 -36.3950 -15.2744 -15.2744 -14.7619 -14.7619 -14.7618 -14.7618 5.5370 5.5370 7.4327 7.4327 7.4329 7.4329 9.2342 9.2342 9.2343 9.2343 9.9088 9.9088 14.5637 14.5637 14.5638 14.5638 16.5189 16.5189 16.5227 16.5227 16.6200 16.6200 k = 0.0123 0.0123 0.0123 ( 1575 PWs) bands (ev): -36.3949 -36.3949 -15.2745 -15.2745 -14.7621 -14.7621 -14.7620 -14.7620 5.5427 5.5427 7.4343 7.4343 7.4348 7.4348 9.2340 9.2340 9.2345 9.2345 9.9082 9.9082 14.5623 14.5623 14.5626 14.5626 16.5037 16.5037 16.5189 16.5189 16.6124 16.6124 k = 0.0185 0.0185 0.0185 ( 1575 PWs) bands (ev): -36.3949 -36.3949 -15.2748 -15.2748 -14.7624 -14.7624 -14.7623 -14.7623 5.5521 5.5521 7.4369 7.4369 7.4379 7.4379 9.2337 9.2337 9.2346 9.2346 9.9072 9.9072 14.5600 14.5600 14.5605 14.5605 16.4781 16.4781 16.5126 16.5126 16.6006 16.6006 k = 0.0247 0.0247 0.0247 ( 1569 PWs) bands (ev): -36.3948 -36.3948 -15.2752 -15.2752 -14.7628 -14.7628 -14.7626 -14.7626 5.5652 5.5652 7.4406 7.4406 7.4424 7.4424 9.2333 9.2333 9.2349 9.2349 9.9059 9.9059 14.5569 14.5569 14.5577 14.5577 16.4419 16.4419 16.5039 16.5039 16.5854 16.5854 k = 0.0309 0.0309 0.0309 ( 1575 PWs) bands (ev): -36.3946 -36.3946 -15.2757 -15.2757 -14.7635 -14.7635 -14.7631 -14.7631 5.5820 5.5820 7.4452 7.4452 7.4481 7.4481 9.2327 9.2327 9.2350 9.2350 9.9041 9.9041 14.5528 14.5528 14.5542 14.5542 16.3958 16.3958 16.4927 16.4927 16.5673 16.5673 k = 0.0370 0.0370 0.0370 ( 1587 PWs) bands (ev): -36.3944 -36.3944 -15.2763 -15.2763 -14.7643 -14.7643 -14.7637 -14.7637 5.6026 5.6026 7.4509 7.4509 7.4550 7.4550 9.2320 9.2320 9.2352 9.2352 9.9019 9.9019 14.5480 14.5480 14.5499 14.5499 16.3407 16.3407 16.4791 16.4791 16.5465 16.5465 k = 0.0432 0.0432 0.0432 ( 1587 PWs) bands (ev): -36.3942 -36.3942 -15.2770 -15.2770 -14.7652 -14.7652 -14.7643 -14.7643 5.6267 5.6267 7.4575 7.4575 7.4631 7.4631 9.2312 9.2312 9.2353 9.2353 9.8993 9.8993 14.5425 14.5425 14.5451 14.5451 16.2777 16.2777 16.4633 16.4633 16.5230 16.5230 k = 0.0494 0.0494 0.0494 ( 1587 PWs) bands (ev): -36.3940 -36.3940 -15.2778 -15.2778 -14.7662 -14.7662 -14.7651 -14.7651 5.6546 5.6546 7.4650 7.4650 7.4724 7.4724 9.2303 9.2303 9.2353 9.2353 9.8963 9.8963 14.5364 14.5364 14.5397 14.5397 16.2083 16.2083 16.4451 16.4451 16.4969 16.4969 k = 0.0556 0.0556 0.0556 ( 1587 PWs) bands (ev): -36.3937 -36.3937 -15.2787 -15.2787 -14.7673 -14.7673 -14.7659 -14.7659 5.6859 5.6859 7.4735 7.4735 7.4829 7.4829 9.2293 9.2293 9.2350 9.2350 9.8929 9.8929 14.5297 14.5297 14.5338 14.5338 16.1335 16.1335 16.4248 16.4248 16.4684 16.4684 k = 0.0617 0.0617 0.0617 ( 1587 PWs) bands (ev): -36.3934 -36.3934 -15.2797 -15.2797 -14.7685 -14.7685 -14.7669 -14.7669 5.7208 5.7208 7.4828 7.4828 7.4944 7.4944 9.2282 9.2282 9.2345 9.2345 9.8889 9.8889 14.5227 14.5227 14.5276 14.5276 16.0547 16.0547 16.4024 16.4024 16.4374 16.4374 k = 0.0679 0.0679 0.0679 ( 1596 PWs) bands (ev): -36.3931 -36.3931 -15.2808 -15.2808 -14.7699 -14.7699 -14.7680 -14.7680 5.7592 5.7592 7.4930 7.4930 7.5070 7.5070 9.2270 9.2270 9.2337 9.2337 9.8844 9.8844 14.5153 14.5153 14.5209 14.5209 15.9729 15.9729 16.3779 16.3779 16.4042 16.4042 k = 0.0741 0.0741 0.0741 ( 1596 PWs) bands (ev): -36.3927 -36.3927 -15.2819 -15.2819 -14.7713 -14.7713 -14.7691 -14.7691 5.8010 5.8010 7.5039 7.5039 7.5207 7.5207 9.2258 9.2258 9.2325 9.2325 9.8794 9.8794 14.5077 14.5077 14.5141 14.5141 15.8893 15.8893 16.3515 16.3515 16.3688 16.3688 k = 0.0802 0.0802 0.0802 ( 1590 PWs) bands (ev): -36.3923 -36.3923 -15.2832 -15.2832 -14.7728 -14.7728 -14.7703 -14.7703 5.8462 5.8462 7.5156 7.5156 7.5353 7.5353 9.2245 9.2245 9.2308 9.2308 9.8737 9.8737 14.5000 14.5000 14.5072 14.5072 15.8050 15.8050 16.3233 16.3233 16.3315 16.3315 k = 0.0864 0.0864 0.0864 ( 1596 PWs) bands (ev): -36.3919 -36.3919 -15.2845 -15.2845 -14.7745 -14.7745 -14.7716 -14.7716 5.8946 5.8946 7.5279 7.5279 7.5508 7.5508 9.2232 9.2232 9.2287 9.2287 9.8673 9.8673 14.4922 14.4922 14.5001 14.5001 15.7207 15.7207 16.2925 16.2925 16.2934 16.2934 k = 0.0926 0.0926 0.0926 ( 1590 PWs) bands (ev): -36.3915 -36.3915 -15.2859 -15.2859 -14.7762 -14.7762 -14.7730 -14.7730 5.9462 5.9462 7.5409 7.5409 7.5672 7.5672 9.2218 9.2218 9.2260 9.2260 9.8602 9.8602 14.4847 14.4847 14.4932 14.4932 15.6375 15.6375 16.2519 16.2519 16.2618 16.2618 k = 0.0988 0.0988 0.0988 ( 1578 PWs) bands (ev): -36.3910 -36.3910 -15.2873 -15.2873 -14.7779 -14.7779 -14.7744 -14.7744 6.0010 6.0010 7.5545 7.5545 7.5845 7.5845 9.2205 9.2205 9.2228 9.2228 9.8523 9.8523 14.4774 14.4774 14.4863 14.4863 15.5563 15.5563 16.2098 16.2098 16.2288 16.2288 k = 0.1049 0.1049 0.1049 ( 1587 PWs) bands (ev): -36.3905 -36.3905 -15.2889 -15.2889 -14.7798 -14.7798 -14.7760 -14.7760 6.0588 6.0588 7.5685 7.5685 7.6023 7.6023 9.2190 9.2190 9.2192 9.2192 9.8434 9.8434 14.4703 14.4703 14.4794 14.4794 15.4776 15.4776 16.1666 16.1666 16.1943 16.1943 k = 0.1111 0.1111 0.1111 ( 1593 PWs) bands (ev): -36.3900 -36.3900 -15.2906 -15.2906 -14.7818 -14.7818 -14.7777 -14.7777 6.1195 6.1195 7.5829 7.5829 7.6209 7.6209 9.2146 9.2146 9.2180 9.2180 9.8336 9.8336 14.4637 14.4637 14.4727 14.4727 15.4023 15.4023 16.1224 16.1224 16.1586 16.1586 k = 0.1173 0.1173 0.1173 ( 1593 PWs) bands (ev): -36.3895 -36.3895 -15.2923 -15.2923 -14.7838 -14.7838 -14.7795 -14.7795 6.1830 6.1830 7.5977 7.5977 7.6401 7.6401 9.2096 9.2096 9.2170 9.2170 9.8226 9.8226 14.4576 14.4576 14.4661 14.4661 15.3311 15.3311 16.0774 16.0774 16.1217 16.1217 k = 0.1235 0.1235 0.1235 ( 1590 PWs) bands (ev): -36.3889 -36.3889 -15.2940 -15.2940 -14.7859 -14.7859 -14.7812 -14.7812 6.2493 6.2493 7.6128 7.6128 7.6598 7.6598 9.2041 9.2041 9.2160 9.2160 9.8105 9.8105 14.4522 14.4522 14.4598 14.4598 15.2645 15.2645 16.0318 16.0318 16.0838 16.0838 k = 0.1296 0.1296 0.1296 ( 1590 PWs) bands (ev): -36.3883 -36.3883 -15.2959 -15.2959 -14.7880 -14.7880 -14.7831 -14.7831 6.3182 6.3182 7.6281 7.6281 7.6799 7.6799 9.1982 9.1982 9.2153 9.2153 9.7971 9.7971 14.4473 14.4473 14.4536 14.4536 15.2032 15.2032 15.9859 15.9859 16.0450 16.0450 k = 0.1358 0.1358 0.1358 ( 1587 PWs) bands (ev): -36.3877 -36.3877 -15.2977 -15.2977 -14.7902 -14.7902 -14.7850 -14.7850 6.3896 6.3896 7.6435 7.6435 7.7003 7.7003 9.1918 9.1918 9.2148 9.2148 9.7824 9.7824 14.4432 14.4432 14.4475 14.4475 15.1475 15.1475 15.9399 15.9399 16.0054 16.0054 k = 0.1420 0.1420 0.1420 ( 1599 PWs) bands (ev): -36.3871 -36.3871 -15.2997 -15.2997 -14.7925 -14.7925 -14.7871 -14.7871 6.4634 6.4634 7.6589 7.6589 7.7210 7.7210 9.1850 9.1850 9.2146 9.2146 9.7663 9.7663 14.4397 14.4397 14.4414 14.4414 15.0980 15.0980 15.8941 15.8941 15.9653 15.9653 k = 0.1481 0.1481 0.1481 ( 1593 PWs) bands (ev): -36.3865 -36.3865 -15.3016 -15.3016 -14.7947 -14.7947 -14.7891 -14.7891 6.5393 6.5393 7.6744 7.6744 7.7419 7.7419 9.1781 9.1781 9.2148 9.2148 9.7488 9.7488 14.4354 14.4354 14.4370 14.4370 15.0549 15.0549 15.8487 15.8487 15.9248 15.9248 k = 0.1543 0.1543 0.1543 ( 1593 PWs) bands (ev): -36.3858 -36.3858 -15.3036 -15.3036 -14.7970 -14.7970 -14.7912 -14.7912 6.6173 6.6173 7.6896 7.6896 7.7628 7.7628 9.1711 9.1711 9.2154 9.2154 9.7298 9.7298 14.4290 14.4290 14.4349 14.4349 15.0187 15.0187 15.8040 15.8040 15.8841 15.8841 k = 0.1605 0.1605 0.1605 ( 1593 PWs) bands (ev): -36.3852 -36.3852 -15.3057 -15.3057 -14.7994 -14.7994 -14.7934 -14.7934 6.6972 6.6972 7.7046 7.7046 7.7837 7.7837 9.1641 9.1641 9.2165 9.2165 9.7093 9.7093 14.4222 14.4222 14.4335 14.4335 14.9896 14.9896 15.7604 15.7604 15.8434 15.8434 k = 0.1667 0.1667 0.1667 ( 1593 PWs) bands (ev): -36.3845 -36.3845 -15.3078 -15.3078 -14.8017 -14.8017 -14.7956 -14.7956 6.7787 6.7787 7.7193 7.7193 7.8046 7.8046 9.1573 9.1573 9.2181 9.2181 9.6874 9.6874 14.4147 14.4147 14.4325 14.4325 14.9677 14.9677 15.7183 15.7183 15.8030 15.8030 k = 0.1728 0.1728 0.1728 ( 1593 PWs) bands (ev): -36.3838 -36.3838 -15.3099 -15.3099 -14.8041 -14.8041 -14.7979 -14.7979 6.8616 6.8616 7.7336 7.7336 7.8254 7.8254 9.1509 9.1509 9.2204 9.2204 9.6642 9.6642 14.4063 14.4063 14.4319 14.4319 14.9533 14.9533 15.6781 15.6781 15.7631 15.7631 k = 0.1790 0.1790 0.1790 ( 1592 PWs) bands (ev): -36.3831 -36.3831 -15.3120 -15.3120 -14.8065 -14.8065 -14.8002 -14.8002 6.9456 6.9456 7.7474 7.7474 7.8462 7.8462 9.1450 9.1450 9.2234 9.2234 9.6397 9.6397 14.3966 14.3966 14.4314 14.4314 14.9463 14.9463 15.6401 15.6401 15.7240 15.7240 k = 0.1852 0.1852 0.1852 ( 1595 PWs) bands (ev): -36.3824 -36.3824 -15.3142 -15.3142 -14.8089 -14.8089 -14.8026 -14.8026 7.0303 7.0303 7.7606 7.7606 7.8671 7.8671 9.1399 9.1399 9.2271 9.2271 9.6140 9.6140 14.3853 14.3853 14.4308 14.4308 14.9468 14.9468 15.6049 15.6049 15.6860 15.6860 k = 0.1914 0.1914 0.1914 ( 1583 PWs) bands (ev): -36.3816 -36.3816 -15.3163 -15.3163 -14.8112 -14.8112 -14.8049 -14.8049 7.1152 7.1152 7.7732 7.7732 7.8883 7.8883 9.1359 9.1359 9.2316 9.2316 9.5873 9.5873 14.3721 14.3721 14.4299 14.4299 14.9547 14.9547 15.5730 15.5730 15.6497 15.6497 k = 0.1975 0.1975 0.1975 ( 1583 PWs) bands (ev): -36.3809 -36.3809 -15.3185 -15.3185 -14.8136 -14.8136 -14.8074 -14.8074 7.1998 7.1998 7.7851 7.7851 7.9100 7.9100 9.1329 9.1329 9.2371 9.2371 9.5598 9.5598 14.3564 14.3564 14.4281 14.4281 14.9701 14.9701 15.5448 15.5448 15.6154 15.6154 k = 0.2037 0.2037 0.2037 ( 1583 PWs) bands (ev): -36.3801 -36.3801 -15.3208 -15.3208 -14.8160 -14.8160 -14.8098 -14.8098 7.2831 7.2831 7.7961 7.7961 7.9330 7.9330 9.1312 9.1312 9.2435 9.2435 9.5317 9.5317 14.3378 14.3378 14.4251 14.4251 14.9929 14.9929 15.5208 15.5208 15.5836 15.5836 k = 0.2099 0.2099 0.2099 ( 1583 PWs) bands (ev): -36.3794 -36.3794 -15.3230 -15.3230 -14.8184 -14.8184 -14.8123 -14.8123 7.3640 7.3640 7.8063 7.8063 7.9580 7.9580 9.1309 9.1309 9.2509 9.2509 9.5033 9.5033 14.3160 14.3160 14.4204 14.4204 15.0228 15.0228 15.5013 15.5013 15.5549 15.5549 k = 0.2160 0.2160 0.2160 ( 1586 PWs) bands (ev): -36.3786 -36.3786 -15.3253 -15.3253 -14.8209 -14.8209 -14.8148 -14.8148 7.4409 7.4409 7.8157 7.8157 7.9865 7.9865 9.1322 9.1322 9.2595 9.2595 9.4748 9.4748 14.2906 14.2906 14.4135 14.4135 15.0597 15.0597 15.4867 15.4867 15.5297 15.5297 k = 0.2222 0.2222 0.2222 ( 1592 PWs) bands (ev): -36.3778 -36.3778 -15.3276 -15.3276 -14.8233 -14.8233 -14.8174 -14.8174 7.5119 7.5119 7.8240 7.8240 8.0202 8.0202 9.1350 9.1350 9.2691 9.2691 9.4466 9.4466 14.2616 14.2616 14.4038 14.4038 15.1035 15.1035 15.4772 15.4772 15.5088 15.5088 k = 0.2284 0.2284 0.2284 ( 1592 PWs) bands (ev): -36.3771 -36.3771 -15.3298 -15.3298 -14.8256 -14.8256 -14.8199 -14.8199 7.5748 7.5748 7.8315 7.8315 8.0611 8.0611 9.1394 9.1394 9.2800 9.2800 9.4191 9.4191 14.2288 14.2288 14.3908 14.3908 15.1540 15.1540 15.4730 15.4730 15.4925 15.4925 k = 0.2346 0.2346 0.2346 ( 1583 PWs) bands (ev): -36.3763 -36.3763 -15.3320 -15.3320 -14.8280 -14.8280 -14.8225 -14.8225 7.6275 7.6275 7.8379 7.8379 8.1111 8.1111 9.1450 9.1450 9.2921 9.2921 9.3929 9.3929 14.1921 14.1921 14.3742 14.3742 15.2109 15.2109 15.4741 15.4741 15.4814 15.4814 k = 0.2407 0.2407 0.2407 ( 1589 PWs) bands (ev): -36.3755 -36.3755 -15.3343 -15.3343 -14.8304 -14.8304 -14.8251 -14.8251 7.6692 7.6692 7.8434 7.8434 8.1707 8.1707 9.1515 9.1515 9.3054 9.3054 9.3689 9.3689 14.1517 14.1517 14.3535 14.3535 15.2740 15.2740 15.4757 15.4757 15.4802 15.4802 k = 0.2469 0.2469 0.2469 ( 1589 PWs) bands (ev): -36.3747 -36.3747 -15.3366 -15.3366 -14.8327 -14.8327 -14.8276 -14.8276 7.7003 7.7003 7.8479 7.8479 8.2395 8.2395 9.1578 9.1578 9.3199 9.3199 9.3483 9.3483 14.1077 14.1077 14.3286 14.3286 15.3431 15.3431 15.4757 15.4757 15.4914 15.4914 k = 0.2531 0.2531 0.2531 ( 1589 PWs) bands (ev): -36.3740 -36.3740 -15.3389 -15.3389 -14.8350 -14.8350 -14.8302 -14.8302 7.7221 7.7221 7.8514 7.8514 8.3157 8.3157 9.1626 9.1626 9.3329 9.3329 9.3358 9.3358 14.0605 14.0605 14.2993 14.2993 15.4177 15.4177 15.4814 15.4814 15.5074 15.5074 k = 0.2593 0.2593 0.2593 ( 1589 PWs) bands (ev): -36.3732 -36.3732 -15.3411 -15.3411 -14.8373 -14.8373 -14.8328 -14.8328 7.7366 7.7366 7.8539 7.8539 8.3973 8.3973 9.1642 9.1642 9.3250 9.3250 9.3529 9.3529 14.0101 14.0101 14.2658 14.2658 15.4928 15.4928 15.4967 15.4967 15.5289 15.5289 k = 0.2654 0.2654 0.2654 ( 1592 PWs) bands (ev): -36.3724 -36.3724 -15.3434 -15.3434 -14.8397 -14.8397 -14.8353 -14.8353 7.7454 7.7454 7.8555 7.8555 8.4819 8.4819 9.1614 9.1614 9.3262 9.3262 9.3712 9.3712 13.9571 13.9571 14.2282 14.2282 15.5095 15.5095 15.5495 15.5495 15.5861 15.5861 k = 0.2716 0.2716 0.2716 ( 1586 PWs) bands (ev): -36.3717 -36.3717 -15.3456 -15.3456 -14.8419 -14.8419 -14.8378 -14.8378 7.7498 7.7498 7.8563 7.8563 8.5674 8.5674 9.1550 9.1550 9.3369 9.3369 9.3909 9.3909 13.9015 13.9015 14.1869 14.1869 15.5314 15.5314 15.5786 15.5786 15.6756 15.6756 k = 0.2778 0.2778 0.2778 ( 1586 PWs) bands (ev): -36.3709 -36.3709 -15.3478 -15.3478 -14.8442 -14.8442 -14.8404 -14.8404 7.7509 7.7509 7.8562 7.8562 8.6513 8.6513 9.1478 9.1478 9.3559 9.3559 9.4117 9.4117 13.8438 13.8438 14.1420 14.1420 15.5579 15.5579 15.6104 15.6104 15.7708 15.7708 k = 0.2840 0.2840 0.2840 ( 1586 PWs) bands (ev): -36.3701 -36.3701 -15.3500 -15.3500 -14.8464 -14.8464 -14.8429 -14.8429 7.7497 7.7497 7.8553 7.8553 8.7301 8.7301 9.1434 9.1434 9.3820 9.3820 9.4338 9.4338 13.7841 13.7841 14.0940 14.0940 15.5888 15.5888 15.6451 15.6451 15.8707 15.8707 k = 0.2901 0.2901 0.2901 ( 1586 PWs) bands (ev): -36.3694 -36.3694 -15.3522 -15.3522 -14.8486 -14.8486 -14.8454 -14.8454 7.7466 7.7466 7.8537 7.8537 8.7989 8.7989 9.1471 9.1471 9.4147 9.4147 9.4570 9.4570 13.7228 13.7228 14.0432 14.0432 15.6237 15.6237 15.6827 15.6827 15.9749 15.9749 k = 0.2963 0.2963 0.2963 ( 1592 PWs) bands (ev): -36.3686 -36.3686 -15.3544 -15.3544 -14.8508 -14.8508 -14.8479 -14.8479 7.7423 7.7423 7.8514 7.8514 8.8511 8.8511 9.1645 9.1645 9.4539 9.4539 9.4813 9.4813 13.6600 13.6600 13.9899 13.9899 15.6620 15.6620 15.7228 15.7228 16.0833 16.0833 k = 0.3025 0.3025 0.3025 ( 1592 PWs) bands (ev): -36.3679 -36.3679 -15.3566 -15.3566 -14.8530 -14.8530 -14.8503 -14.8503 7.7372 7.7372 7.8485 7.8485 8.8826 8.8826 9.1991 9.1991 9.5005 9.5005 9.5067 9.5067 13.5960 13.5960 13.9344 13.9344 15.7035 15.7035 15.7652 15.7652 16.1957 16.1957 k = 0.3086 0.3086 0.3086 ( 1586 PWs) bands (ev): -36.3672 -36.3672 -15.3587 -15.3587 -14.8551 -14.8551 -14.8527 -14.8527 7.7316 7.7316 7.8451 7.8451 8.8953 8.8953 9.2473 9.2473 9.5332 9.5332 9.5554 9.5554 13.5310 13.5310 13.8772 13.8772 15.7477 15.7477 15.8096 15.8096 16.3118 16.3118 k = 0.3148 0.3148 0.3148 ( 1586 PWs) bands (ev): -36.3665 -36.3665 -15.3608 -15.3608 -14.8572 -14.8572 -14.8551 -14.8551 7.7258 7.7258 7.8412 7.8412 8.8957 8.8957 9.3017 9.3017 9.5606 9.5606 9.6193 9.6193 13.4652 13.4652 13.8183 13.8183 15.7944 15.7944 15.8558 15.8558 16.4314 16.4314 k = 0.3210 0.3210 0.3210 ( 1586 PWs) bands (ev): -36.3658 -36.3658 -15.3628 -15.3628 -14.8593 -14.8593 -14.8574 -14.8574 7.7199 7.7199 7.8369 7.8369 8.8891 8.8891 9.3566 9.3566 9.5890 9.5890 9.6925 9.6925 13.3988 13.3988 13.7582 13.7582 15.8431 15.8431 15.9035 15.9035 16.5544 16.5544 k = 0.3272 0.3272 0.3272 ( 1580 PWs) bands (ev): -36.3651 -36.3651 -15.3649 -15.3649 -14.8613 -14.8613 -14.8597 -14.8597 7.7143 7.7143 7.8322 7.8322 8.8789 8.8789 9.4092 9.4092 9.6183 9.6183 9.7740 9.7740 13.3319 13.3319 13.6969 13.6969 15.8935 15.8935 15.9525 15.9525 16.6806 16.6806 k = 0.3333 0.3333 0.3333 ( 1580 PWs) bands (ev): -36.3644 -36.3644 -15.3669 -15.3669 -14.8633 -14.8633 -14.8619 -14.8619 7.7090 7.7090 7.8272 7.8272 8.8669 8.8669 9.4589 9.4589 9.6484 9.6484 9.8624 9.8624 13.2648 13.2648 13.6348 13.6348 15.9454 15.9454 16.0026 16.0026 16.8098 16.8098 k = 0.3395 0.3395 0.3395 ( 1580 PWs) bands (ev): -36.3638 -36.3638 -15.3688 -15.3688 -14.8653 -14.8653 -14.8641 -14.8641 7.7042 7.7042 7.8220 7.8220 8.8541 8.8541 9.5062 9.5062 9.6793 9.6793 9.9560 9.9560 13.1975 13.1975 13.5721 13.5721 15.9984 15.9984 16.0535 16.0535 16.9417 16.9417 k = 0.3457 0.3457 0.3457 ( 1586 PWs) bands (ev): -36.3631 -36.3631 -15.3708 -15.3708 -14.8673 -14.8673 -14.8662 -14.8662 7.7000 7.7000 7.8166 7.8166 8.8412 8.8412 9.5517 9.5517 9.7108 9.7108 10.0531 10.0531 13.1302 13.1302 13.5088 13.5088 16.0523 16.0523 16.1049 16.1049 17.0761 17.0761 k = 0.3519 0.3519 0.3519 ( 1586 PWs) bands (ev): -36.3625 -36.3625 -15.3727 -15.3727 -14.8692 -14.8692 -14.8683 -14.8683 7.6964 7.6964 7.8111 7.8111 8.8286 8.8286 9.5959 9.5959 9.7430 9.7430 10.1530 10.1530 13.0632 13.0632 13.4453 13.4453 16.1068 16.1068 16.1568 16.1568 17.2123 17.2123 k = 0.3580 0.3580 0.3580 ( 1592 PWs) bands (ev): -36.3619 -36.3619 -15.3745 -15.3745 -14.8711 -14.8711 -14.8704 -14.8704 7.6935 7.6935 7.8055 7.8055 8.8164 8.8164 9.6392 9.6392 9.7757 9.7757 10.2546 10.2546 12.9965 12.9965 13.3817 13.3817 16.1615 16.1615 16.2088 16.2088 17.3479 17.3479 k = 0.3642 0.3642 0.3642 ( 1592 PWs) bands (ev): -36.3613 -36.3613 -15.3763 -15.3763 -14.8729 -14.8729 -14.8723 -14.8723 7.6913 7.6913 7.7999 7.7999 8.8049 8.8049 9.6820 9.6820 9.8090 9.8090 10.3574 10.3574 12.9304 12.9304 13.3182 13.3182 16.2163 16.2163 16.2607 16.2607 17.4543 17.4543 k = 0.3704 0.3704 0.3704 ( 1592 PWs) bands (ev): -36.3607 -36.3607 -15.3781 -15.3781 -14.8746 -14.8746 -14.8742 -14.8742 7.6897 7.6897 7.7942 7.7942 8.7940 8.7940 9.7243 9.7243 9.8426 9.8426 10.4607 10.4607 12.8651 12.8651 13.2550 13.2550 16.2709 16.2709 16.3122 16.3122 17.3741 17.3741 k = 0.3765 0.3765 0.3765 ( 1586 PWs) bands (ev): -36.3602 -36.3602 -15.3797 -15.3797 -14.8763 -14.8763 -14.8760 -14.8760 7.6889 7.6889 7.7887 7.7887 8.7839 8.7839 9.7663 9.7663 9.8765 9.8765 10.5641 10.5641 12.8009 12.8009 13.1923 13.1923 16.3250 16.3250 16.3633 16.3633 17.2375 17.2375 k = 0.3827 0.3827 0.3827 ( 1586 PWs) bands (ev): -36.3596 -36.3596 -15.3814 -15.3814 -14.8780 -14.8780 -14.8778 -14.8778 7.6888 7.6888 7.7832 7.7832 8.7746 8.7746 9.8081 9.8081 9.9107 9.9107 10.6671 10.6671 12.7378 12.7378 13.1302 13.1302 16.3784 16.3784 16.4135 16.4135 17.0947 17.0947 k = 0.3889 0.3889 0.3889 ( 1580 PWs) bands (ev): -36.3591 -36.3591 -15.3829 -15.3829 -14.8795 -14.8795 -14.8795 -14.8795 7.6892 7.6892 7.7778 7.7778 8.7661 8.7661 9.8497 9.8497 9.9449 9.9449 10.7695 10.7695 12.6762 12.6762 13.0690 13.0690 16.4307 16.4307 16.4628 16.4628 16.9497 16.9497 k = 0.3951 0.3951 0.3951 ( 1586 PWs) bands (ev): -36.3586 -36.3586 -15.3844 -15.3844 -14.8811 -14.8811 -14.8811 -14.8811 7.6902 7.6902 7.7726 7.7726 8.7584 8.7584 9.8909 9.8909 9.9791 9.9791 10.8708 10.8708 12.6164 12.6164 13.0087 13.0087 16.4819 16.4819 16.5108 16.5108 16.8039 16.8039 k = 0.4012 0.4012 0.4012 ( 1583 PWs) bands (ev): -36.3582 -36.3582 -15.3859 -15.3859 -14.8826 -14.8826 -14.8826 -14.8826 7.6918 7.6918 7.7676 7.7676 8.7515 8.7515 9.9317 9.9317 10.0132 10.0132 10.9704 10.9704 12.5588 12.5588 12.9497 12.9497 16.5315 16.5315 16.5567 16.5567 16.6586 16.6586 k = 0.4074 0.4074 0.4074 ( 1580 PWs) bands (ev): -36.3577 -36.3577 -15.3872 -15.3872 -14.8841 -14.8841 -14.8839 -14.8839 7.6937 7.6937 7.7627 7.7627 8.7454 8.7454 9.9722 9.9722 10.0469 10.0469 11.0680 11.0680 12.5040 12.5040 12.8922 12.8922 16.5110 16.5110 16.5794 16.5794 16.6042 16.6042 k = 0.4136 0.4136 0.4136 ( 1580 PWs) bands (ev): -36.3573 -36.3573 -15.3885 -15.3885 -14.8854 -14.8854 -14.8853 -14.8853 7.6960 7.6960 7.7581 7.7581 8.7400 8.7400 10.0120 10.0120 10.0802 10.0802 11.1626 11.1626 12.4524 12.4524 12.8364 12.8364 16.3682 16.3682 16.6254 16.6254 16.6465 16.6465 k = 0.4198 0.4198 0.4198 ( 1586 PWs) bands (ev): -36.3569 -36.3569 -15.3897 -15.3897 -14.8867 -14.8867 -14.8866 -14.8866 7.6985 7.6985 7.7537 7.7537 8.7353 8.7353 10.0511 10.0511 10.1127 10.1127 11.2535 11.2535 12.4047 12.4047 12.7824 12.7824 16.2270 16.2270 16.6693 16.6693 16.6876 16.6876 k = 0.4259 0.4259 0.4259 ( 1592 PWs) bands (ev): -36.3566 -36.3566 -15.3909 -15.3909 -14.8879 -14.8879 -14.8878 -14.8878 7.7013 7.7013 7.7496 7.7496 8.7312 8.7312 10.0893 10.0893 10.1445 10.1445 11.3394 11.3394 12.3622 12.3622 12.7307 12.7307 16.0889 16.0889 16.7107 16.7107 16.7264 16.7264 k = 0.4321 0.4321 0.4321 ( 1592 PWs) bands (ev): -36.3562 -36.3562 -15.3920 -15.3920 -14.8890 -14.8890 -14.8890 -14.8890 7.7041 7.7041 7.7458 7.7458 8.7278 8.7278 10.1264 10.1264 10.1751 10.1751 11.4192 11.4192 12.3258 12.3258 12.6815 12.6815 15.9547 15.9547 16.7496 16.7496 16.7629 16.7629 k = 0.4383 0.4383 0.4383 ( 1592 PWs) bands (ev): -36.3559 -36.3559 -15.3930 -15.3930 -14.8900 -14.8900 -14.8900 -14.8900 7.7070 7.7070 7.7423 7.7423 8.7249 8.7249 10.1621 10.1621 10.2045 10.2045 11.4909 11.4909 12.2972 12.2972 12.6351 12.6351 15.8256 15.8256 16.7858 16.7858 16.7968 16.7968 k = 0.4444 0.4444 0.4444 ( 1592 PWs) bands (ev): -36.3556 -36.3556 -15.3938 -15.3938 -14.8910 -14.8910 -14.8909 -14.8909 7.7099 7.7099 7.7390 7.7390 8.7224 8.7224 10.1961 10.1961 10.2322 10.2322 11.5526 11.5526 12.2779 12.2779 12.5917 12.5917 15.7024 15.7024 16.8190 16.8190 16.8280 16.8280 k = 0.4506 0.4506 0.4506 ( 1586 PWs) bands (ev): -36.3554 -36.3554 -15.3946 -15.3946 -14.8917 -14.8917 -14.8917 -14.8917 7.7127 7.7127 7.7361 7.7361 8.7205 8.7205 10.2282 10.2282 10.2581 10.2581 11.6023 11.6023 12.2695 12.2695 12.5517 12.5517 15.5863 15.5863 16.8491 16.8491 16.8563 16.8563 k = 0.4568 0.4568 0.4568 ( 1586 PWs) bands (ev): -36.3552 -36.3552 -15.3953 -15.3953 -14.8925 -14.8925 -14.8925 -14.8925 7.7153 7.7153 7.7335 7.7335 8.7189 8.7189 10.2579 10.2579 10.2819 10.2819 11.6389 11.6389 12.2724 12.2724 12.5154 12.5154 15.4786 15.4786 16.8761 16.8761 16.8816 16.8816 k = 0.4630 0.4630 0.4630 ( 1586 PWs) bands (ev): -36.3550 -36.3550 -15.3960 -15.3960 -14.8931 -14.8931 -14.8931 -14.8931 7.7177 7.7177 7.7312 7.7312 8.7176 8.7176 10.2849 10.2849 10.3033 10.3033 11.6630 11.6630 12.2854 12.2854 12.4831 12.4831 15.3806 15.3806 16.8997 16.8997 16.9037 16.9037 k = 0.4691 0.4691 0.4691 ( 1583 PWs) bands (ev): -36.3548 -36.3548 -15.3965 -15.3965 -14.8937 -14.8937 -14.8936 -14.8936 7.7198 7.7198 7.7293 7.7293 8.7167 8.7167 10.3087 10.3087 10.3220 10.3220 11.6764 11.6764 12.3058 12.3058 12.4551 12.4551 15.2939 15.2939 16.9198 16.9198 16.9227 16.9227 k = 0.4753 0.4753 0.4753 ( 1583 PWs) bands (ev): -36.3547 -36.3547 -15.3969 -15.3969 -14.8941 -14.8941 -14.8941 -14.8941 7.7216 7.7216 7.7277 7.7277 8.7160 8.7160 10.3289 10.3289 10.3377 10.3377 11.6822 11.6822 12.3296 12.3296 12.4318 12.4318 15.2200 15.2200 16.9364 16.9364 16.9382 16.9382 k = 0.4815 0.4815 0.4815 ( 1577 PWs) bands (ev): -36.3546 -36.3546 -15.3972 -15.3972 -14.8944 -14.8944 -14.8944 -14.8944 7.7230 7.7230 7.7265 7.7265 8.7155 8.7155 10.3451 10.3451 10.3502 10.3502 11.6834 11.6834 12.3529 12.3529 12.4134 12.4134 15.1604 15.1604 16.9494 16.9494 16.9504 16.9504 k = 0.4877 0.4877 0.4877 ( 1568 PWs) bands (ev): -36.3545 -36.3545 -15.3974 -15.3974 -14.8946 -14.8946 -14.8946 -14.8946 7.7241 7.7241 7.7256 7.7256 8.7151 8.7151 10.3570 10.3570 10.3593 10.3593 11.6826 11.6826 12.3723 12.3723 12.4001 12.4001 15.1166 15.1166 16.9587 16.9587 16.9592 16.9592 k = 0.4938 0.4938 0.4938 ( 1568 PWs) bands (ev): -36.3545 -36.3545 -15.3975 -15.3975 -14.8948 -14.8948 -14.8948 -14.8948 7.7247 7.7247 7.7251 7.7251 8.7149 8.7149 10.3643 10.3643 10.3649 10.3649 11.6813 11.6813 12.3849 12.3849 12.3920 12.3920 15.0898 15.0898 16.9643 16.9643 16.9645 16.9645 k = 0.5000 0.5000 0.5000 ( 1568 PWs) bands (ev): -36.3544 -36.3544 -15.3976 -15.3976 -14.8948 -14.8948 -14.8948 -14.8948 7.7249 7.7249 7.7249 7.7249 8.7149 8.7149 10.3667 10.3667 10.3667 10.3667 11.6808 11.6808 12.3893 12.3893 12.3893 12.3893 15.0807 15.0807 16.9662 16.9662 16.9662 16.9662 k = 0.5000 0.5000 0.5000 ( 1568 PWs) bands (ev): -36.3544 -36.3544 -15.3976 -15.3976 -14.8948 -14.8948 -14.8948 -14.8948 7.7249 7.7249 7.7249 7.7249 8.7149 8.7149 10.3667 10.3667 10.3667 10.3667 11.6808 11.6808 12.3893 12.3893 12.3893 12.3893 15.0807 15.0807 16.9662 16.9662 16.9662 16.9662 k = 0.4924 0.5000 0.4924 ( 1568 PWs) bands (ev): -36.3545 -36.3545 -15.3975 -15.3975 -14.8948 -14.8948 -14.8947 -14.8947 7.7247 7.7247 7.7251 7.7251 8.7149 8.7149 10.3635 10.3635 10.3656 10.3656 11.6813 11.6813 12.3852 12.3852 12.3916 12.3916 15.0898 15.0898 16.9635 16.9635 16.9653 16.9653 k = 0.4848 0.5000 0.4848 ( 1568 PWs) bands (ev): -36.3545 -36.3545 -15.3974 -15.3974 -14.8948 -14.8948 -14.8945 -14.8945 7.7240 7.7240 7.7257 7.7257 8.7151 8.7151 10.3540 10.3540 10.3623 10.3623 11.6827 11.6827 12.3734 12.3734 12.3988 12.3988 15.1167 15.1167 16.9555 16.9555 16.9624 16.9624 k = 0.4773 0.5000 0.4773 ( 1578 PWs) bands (ev): -36.3546 -36.3546 -15.3972 -15.3972 -14.8947 -14.8947 -14.8941 -14.8941 7.7229 7.7229 7.7266 7.7266 8.7155 8.7155 10.3384 10.3384 10.3567 10.3567 11.6840 11.6840 12.3550 12.3550 12.4106 12.4106 15.1607 15.1607 16.9421 16.9421 16.9577 16.9577 k = 0.4697 0.5000 0.4697 ( 1586 PWs) bands (ev): -36.3547 -36.3547 -15.3969 -15.3969 -14.8946 -14.8946 -14.8936 -14.8936 7.7214 7.7214 7.7279 7.7279 8.7160 8.7160 10.3173 10.3173 10.3488 10.3488 11.6842 11.6842 12.3322 12.3322 12.4273 12.4273 15.2206 15.2206 16.9236 16.9236 16.9510 16.9510 k = 0.4621 0.5000 0.4621 ( 1586 PWs) bands (ev): -36.3548 -36.3548 -15.3965 -15.3965 -14.8945 -14.8945 -14.8928 -14.8928 7.7195 7.7195 7.7295 7.7295 8.7167 8.7167 10.2911 10.2911 10.3384 10.3384 11.6817 11.6817 12.3075 12.3075 12.4487 12.4487 15.2950 15.2950 16.9001 16.9001 16.9424 16.9424 k = 0.4545 0.5000 0.4545 ( 1590 PWs) bands (ev): -36.3550 -36.3550 -15.3960 -15.3960 -14.8943 -14.8943 -14.8920 -14.8920 7.7171 7.7171 7.7315 7.7315 8.7176 8.7176 10.2606 10.2606 10.3254 10.3254 11.6746 11.6746 12.2833 12.2833 12.4747 12.4747 15.3824 15.3824 16.8718 16.8718 16.9319 16.9319 k = 0.4470 0.5000 0.4470 ( 1590 PWs) bands (ev): -36.3552 -36.3552 -15.3954 -15.3954 -14.8941 -14.8941 -14.8909 -14.8909 7.7145 7.7145 7.7339 7.7339 8.7188 8.7188 10.2263 10.2263 10.3095 10.3095 11.6616 11.6616 12.2624 12.2624 12.5053 12.5053 15.4811 15.4811 16.8390 16.8390 16.9195 16.9195 k = 0.4394 0.5000 0.4394 ( 1590 PWs) bands (ev): -36.3554 -36.3554 -15.3946 -15.3946 -14.8938 -14.8938 -14.8897 -14.8897 7.7114 7.7114 7.7366 7.7366 8.7203 8.7203 10.1889 10.1889 10.2907 10.2907 11.6413 11.6413 12.2468 12.2468 12.5403 12.5403 15.5899 15.5899 16.8019 16.8019 16.9051 16.9051 k = 0.4318 0.5000 0.4318 ( 1594 PWs) bands (ev): -36.3556 -36.3556 -15.3939 -15.3939 -14.8935 -14.8935 -14.8883 -14.8883 7.7081 7.7081 7.7396 7.7396 8.7222 8.7222 10.1489 10.1489 10.2687 10.2687 11.6137 11.6137 12.2373 12.2373 12.5794 12.5794 15.7074 15.7074 16.7609 16.7609 16.8888 16.8888 k = 0.4242 0.5000 0.4242 ( 1594 PWs) bands (ev): -36.3559 -36.3559 -15.3930 -15.3930 -14.8932 -14.8932 -14.8868 -14.8868 7.7045 7.7045 7.7430 7.7430 8.7244 8.7244 10.1069 10.1069 10.2432 10.2432 11.5796 11.5796 12.2342 12.2342 12.6225 12.6225 15.8323 15.8323 16.7161 16.7161 16.8705 16.8705 k = 0.4167 0.5000 0.4167 ( 1590 PWs) bands (ev): -36.3562 -36.3562 -15.3920 -15.3920 -14.8928 -14.8928 -14.8851 -14.8851 7.7006 7.7006 7.7467 7.7467 8.7272 8.7272 10.0634 10.0634 10.2140 10.2140 11.5404 11.5404 12.2368 12.2368 12.6692 12.6692 15.9638 15.9638 16.6678 16.6678 16.8503 16.8503 k = 0.4091 0.5000 0.4091 ( 1586 PWs) bands (ev): -36.3566 -36.3566 -15.3910 -15.3910 -14.8924 -14.8924 -14.8832 -14.8832 7.6965 7.6965 7.7507 7.7507 8.7304 8.7304 10.0188 10.0188 10.1811 10.1811 11.4980 11.4980 12.2437 12.2437 12.7191 12.7191 16.1007 16.1007 16.6165 16.6165 16.8282 16.8282 k = 0.4015 0.5000 0.4015 ( 1586 PWs) bands (ev): -36.3569 -36.3569 -15.3899 -15.3899 -14.8920 -14.8920 -14.8813 -14.8813 7.6923 7.6923 7.7550 7.7550 8.7341 8.7341 9.9734 9.9734 10.1441 10.1441 11.4541 11.4541 12.2538 12.2538 12.7719 12.7719 16.2424 16.2424 16.5622 16.5622 16.8043 16.8043 k = 0.3939 0.5000 0.3939 ( 1582 PWs) bands (ev): -36.3573 -36.3573 -15.3887 -15.3887 -14.8915 -14.8915 -14.8792 -14.8792 7.6880 7.6880 7.7596 7.7596 8.7384 8.7384 9.9276 9.9276 10.1031 10.1031 11.4102 11.4102 12.2659 12.2659 12.8271 12.8271 16.3879 16.3879 16.5055 16.5055 16.7787 16.7787 k = 0.3864 0.5000 0.3864 ( 1582 PWs) bands (ev): -36.3577 -36.3577 -15.3874 -15.3874 -14.8910 -14.8910 -14.8769 -14.8769 7.6836 7.6836 7.7644 7.7644 8.7433 8.7433 9.8817 9.8817 10.0581 10.0581 11.3675 11.3675 12.2791 12.2791 12.8844 12.8844 16.4455 16.4455 16.5376 16.5376 16.7514 16.7514 k = 0.3788 0.5000 0.3788 ( 1586 PWs) bands (ev): -36.3581 -36.3581 -15.3862 -15.3862 -14.8905 -14.8905 -14.8746 -14.8746 7.6792 7.6792 7.7695 7.7695 8.7488 8.7488 9.8359 9.8359 10.0092 10.0092 11.3269 11.3269 12.2925 12.2925 12.9435 12.9435 16.3844 16.3844 16.6881 16.6881 16.7232 16.7232 k = 0.3712 0.5000 0.3712 ( 1586 PWs) bands (ev): -36.3586 -36.3586 -15.3848 -15.3848 -14.8900 -14.8900 -14.8722 -14.8722 7.6749 7.6749 7.7748 7.7748 8.7550 8.7550 9.7905 9.7905 9.9567 9.9567 11.2890 11.2890 12.3055 12.3055 13.0039 13.0039 16.3211 16.3211 16.6920 16.6920 16.8425 16.8425 k = 0.3636 0.5000 0.3636 ( 1590 PWs) bands (ev): -36.3590 -36.3590 -15.3835 -15.3835 -14.8894 -14.8894 -14.8696 -14.8696 7.6706 7.6706 7.7803 7.7803 8.7617 8.7617 9.7455 9.7455 9.9010 9.9010 11.2541 11.2541 12.3174 12.3174 13.0654 13.0654 16.2560 16.2560 16.6607 16.6607 16.9966 16.9966 k = 0.3561 0.5000 0.3561 ( 1590 PWs) bands (ev): -36.3595 -36.3595 -15.3820 -15.3820 -14.8888 -14.8888 -14.8670 -14.8670 7.6666 7.6666 7.7859 7.7859 8.7691 8.7691 9.7012 9.7012 9.8425 9.8425 11.2224 11.2224 12.3278 12.3278 13.1276 13.1276 16.1894 16.1894 16.6285 16.6285 17.1506 17.1506 k = 0.3485 0.5000 0.3485 ( 1590 PWs) bands (ev): -36.3600 -36.3600 -15.3806 -15.3806 -14.8882 -14.8882 -14.8642 -14.8642 7.6627 7.6627 7.7917 7.7917 8.7771 8.7771 9.6575 9.6575 9.7819 9.7819 11.1940 11.1940 12.3361 12.3361 13.1903 13.1903 16.1215 16.1215 16.5956 16.5956 17.3022 17.3022 k = 0.3409 0.5000 0.3409 ( 1590 PWs) bands (ev): -36.3606 -36.3606 -15.3791 -15.3791 -14.8876 -14.8876 -14.8613 -14.8613 7.6591 7.6591 7.7975 7.7975 8.7856 8.7856 9.6142 9.6142 9.7201 9.7201 11.1686 11.1686 12.3419 12.3419 13.2532 13.2532 16.0524 16.0524 16.5624 16.5624 17.4480 17.4480 k = 0.3333 0.5000 0.3333 ( 1578 PWs) bands (ev): -36.3611 -36.3611 -15.3775 -15.3775 -14.8869 -14.8869 -14.8583 -14.8583 7.6559 7.6559 7.8035 7.8035 8.7946 8.7946 9.5711 9.5711 9.6582 9.6582 11.1462 11.1462 12.3449 12.3449 13.3162 13.3162 15.9824 15.9824 16.5292 16.5292 17.5807 17.5807 k = 0.3258 0.5000 0.3258 ( 1584 PWs) bands (ev): -36.3617 -36.3617 -15.3760 -15.3760 -14.8862 -14.8862 -14.8553 -14.8553 7.6529 7.6529 7.8094 7.8094 8.8038 8.8038 9.5267 9.5267 9.5980 9.5980 11.1264 11.1264 12.3446 12.3446 13.3789 13.3789 15.9114 15.9114 16.4964 16.4964 17.6840 17.6840 k = 0.3182 0.5000 0.3182 ( 1584 PWs) bands (ev): -36.3622 -36.3622 -15.3744 -15.3744 -14.8855 -14.8855 -14.8522 -14.8522 7.6504 7.6504 7.8152 7.8152 8.8134 8.8134 9.4786 9.4786 9.5430 9.5430 11.1091 11.1091 12.3408 12.3408 13.4411 13.4411 15.8397 15.8397 16.4643 16.4643 17.7295 17.7295 k = 0.3106 0.5000 0.3106 ( 1584 PWs) bands (ev): -36.3628 -36.3628 -15.3728 -15.3728 -14.8848 -14.8848 -14.8490 -14.8490 7.6483 7.6483 7.8210 7.8210 8.8228 8.8228 9.4246 9.4246 9.4961 9.4961 11.0941 11.0941 12.3332 12.3332 13.5027 13.5027 15.7675 15.7675 16.4333 16.4333 17.7050 17.7050 k = 0.3030 0.5000 0.3030 ( 1572 PWs) bands (ev): -36.3634 -36.3634 -15.3712 -15.3712 -14.8840 -14.8840 -14.8458 -14.8458 7.6467 7.6467 7.8267 7.8267 8.8319 8.8319 9.3660 9.3660 9.4569 9.4569 11.0811 11.0811 12.3216 12.3216 13.5636 13.5636 15.6948 15.6948 16.4037 16.4037 17.6363 17.6363 k = 0.2955 0.5000 0.2955 ( 1568 PWs) bands (ev): -36.3640 -36.3640 -15.3696 -15.3696 -14.8833 -14.8833 -14.8425 -14.8425 7.6456 7.6456 7.8321 7.8321 8.8402 8.8402 9.3060 9.3060 9.4229 9.4229 11.0699 11.0699 12.3059 12.3059 13.6234 13.6234 15.6217 15.6217 16.3757 16.3757 17.5479 17.5479 k = 0.2879 0.5000 0.2879 ( 1568 PWs) bands (ev): -36.3646 -36.3646 -15.3680 -15.3680 -14.8825 -14.8825 -14.8392 -14.8392 7.6449 7.6449 7.8373 7.8373 8.8468 8.8468 9.2471 9.2471 9.3930 9.3930 11.0603 11.0603 12.2857 12.2857 13.6821 13.6821 15.5485 15.5485 16.3497 16.3497 17.4505 17.4505 k = 0.2803 0.5000 0.2803 ( 1568 PWs) bands (ev): -36.3652 -36.3652 -15.3664 -15.3664 -14.8818 -14.8818 -14.8358 -14.8358 7.6447 7.6447 7.8421 7.8421 8.8506 8.8506 9.1913 9.1913 9.3667 9.3667 11.0521 11.0521 12.2611 12.2611 13.7396 13.7396 15.4751 15.4751 16.3257 16.3257 17.3488 17.3488 k = 0.2727 0.5000 0.2727 ( 1572 PWs) bands (ev): -36.3658 -36.3658 -15.3649 -15.3649 -14.8810 -14.8810 -14.8325 -14.8325 7.6449 7.6449 7.8464 7.8464 8.8499 8.8499 9.1408 9.1408 9.3440 9.3440 11.0451 11.0451 12.2321 12.2321 13.7958 13.7958 15.4017 15.4017 16.3040 16.3040 17.2449 17.2449 k = 0.2652 0.5000 0.2652 ( 1580 PWs) bands (ev): -36.3664 -36.3664 -15.3634 -15.3634 -14.8803 -14.8803 -14.8291 -14.8291 7.6456 7.6456 7.8503 7.8503 8.8424 8.8424 9.0982 9.0982 9.3248 9.3248 11.0393 11.0393 12.1986 12.1986 13.8504 13.8504 15.3285 15.3285 16.2847 16.2847 17.1398 17.1398 k = 0.2576 0.5000 0.2576 ( 1580 PWs) bands (ev): -36.3671 -36.3671 -15.3619 -15.3619 -14.8795 -14.8795 -14.8257 -14.8257 7.6467 7.6467 7.8536 7.8536 8.8256 8.8256 9.0659 9.0659 9.3096 9.3096 11.0345 11.0345 12.1609 12.1609 13.9036 13.9036 15.2554 15.2554 16.2677 16.2677 17.0343 17.0343 k = 0.2500 0.5000 0.2500 ( 1582 PWs) bands (ev): -36.3677 -36.3677 -15.3604 -15.3604 -14.8787 -14.8787 -14.8223 -14.8223 7.6481 7.6481 7.8563 7.8563 8.7990 8.7990 9.0445 9.0445 9.2985 9.2985 11.0306 11.0306 12.1191 12.1191 13.9551 13.9551 15.1827 15.1827 16.2529 16.2529 16.9288 16.9288 k = 0.2424 0.5000 0.2424 ( 1578 PWs) bands (ev): -36.3683 -36.3683 -15.3589 -15.3589 -14.8778 -14.8778 -14.8189 -14.8189 7.6497 7.6497 7.8582 7.8582 8.7646 8.7646 9.0322 9.0322 9.2918 9.2918 11.0275 11.0275 12.0734 12.0734 14.0049 14.0049 15.1103 15.1103 16.2404 16.2404 16.8237 16.8237 k = 0.2348 0.5000 0.2348 ( 1578 PWs) bands (ev): -36.3689 -36.3689 -15.3575 -15.3575 -14.8770 -14.8770 -14.8155 -14.8155 7.6515 7.6515 7.8593 7.8593 8.7257 8.7257 9.0256 9.0256 9.2896 9.2896 11.0250 11.0250 12.0239 12.0239 14.0529 14.0529 15.0385 15.0385 16.2299 16.2299 16.7192 16.7192 k = 0.2273 0.5000 0.2273 ( 1578 PWs) bands (ev): -36.3695 -36.3695 -15.3561 -15.3561 -14.8762 -14.8762 -14.8121 -14.8121 7.6532 7.6532 7.8595 7.8595 8.6852 8.6852 9.0224 9.0224 9.2918 9.2918 11.0230 11.0230 11.9710 11.9710 14.0990 14.0990 14.9673 14.9673 16.2213 16.2213 16.6155 16.6155 k = 0.2197 0.5000 0.2197 ( 1578 PWs) bands (ev): -36.3701 -36.3701 -15.3548 -15.3548 -14.8754 -14.8754 -14.8088 -14.8088 7.6548 7.6548 7.8587 7.8587 8.6452 8.6452 9.0208 9.0208 9.2983 9.2983 11.0215 11.0215 11.9149 11.9149 14.1432 14.1432 14.8968 14.8968 16.2143 16.2143 16.5129 16.5129 k = 0.2121 0.5000 0.2121 ( 1590 PWs) bands (ev): -36.3708 -36.3708 -15.3535 -15.3535 -14.8747 -14.8747 -14.8056 -14.8056 7.6559 7.6559 7.8569 7.8569 8.6069 8.6069 9.0202 9.0202 9.3086 9.3086 11.0204 11.0204 11.8561 11.8561 14.1855 14.1855 14.8270 14.8270 16.2088 16.2088 16.4115 16.4115 k = 0.2045 0.5000 0.2045 ( 1582 PWs) bands (ev): -36.3713 -36.3713 -15.3522 -15.3522 -14.8738 -14.8738 -14.8023 -14.8023 7.6565 7.6565 7.8541 7.8541 8.5715 8.5715 9.0203 9.0203 9.3224 9.3224 11.0195 11.0195 11.7949 11.7949 14.2258 14.2258 14.7583 14.7583 16.2044 16.2044 16.3114 16.3114 k = 0.1970 0.5000 0.1970 ( 1582 PWs) bands (ev): -36.3719 -36.3719 -15.3510 -15.3510 -14.8730 -14.8730 -14.7990 -14.7990 7.6563 7.6563 7.8503 7.8503 8.5394 8.5394 9.0210 9.0210 9.3391 9.3391 11.0187 11.0187 11.7316 11.7316 14.2642 14.2642 14.6907 14.6907 16.2001 16.2001 16.2138 16.2138 k = 0.1894 0.5000 0.1894 ( 1580 PWs) bands (ev): -36.3725 -36.3725 -15.3499 -15.3499 -14.8722 -14.8722 -14.7959 -14.7959 7.6549 7.6549 7.8457 7.8457 8.5112 8.5112 9.0226 9.0226 9.3582 9.3582 11.0177 11.0177 11.6667 11.6667 14.3005 14.3005 14.6242 14.6242 16.1155 16.1155 16.1987 16.1987 k = 0.1818 0.5000 0.1818 ( 1580 PWs) bands (ev): -36.3731 -36.3731 -15.3488 -15.3488 -14.8714 -14.8714 -14.7928 -14.7928 7.6521 7.6521 7.8404 7.8404 8.4872 8.4872 9.0250 9.0250 9.3793 9.3793 11.0165 11.0165 11.6007 11.6007 14.3347 14.3347 14.5591 14.5591 16.0204 16.0204 16.1964 16.1964 k = 0.1742 0.5000 0.1742 ( 1588 PWs) bands (ev): -36.3736 -36.3736 -15.3478 -15.3478 -14.8707 -14.8707 -14.7898 -14.7898 7.6476 7.6476 7.8346 7.8346 8.4675 8.4675 9.0285 9.0285 9.4020 9.4020 11.0146 11.0146 11.5342 11.5342 14.3665 14.3665 14.4956 14.4956 15.9271 15.9271 16.1944 16.1944 k = 0.1667 0.5000 0.1667 ( 1596 PWs) bands (ev): -36.3742 -36.3742 -15.3468 -15.3468 -14.8700 -14.8700 -14.7869 -14.7869 7.6411 7.6411 7.8285 7.8285 8.4524 8.4524 9.0331 9.0331 9.4260 9.4260 11.0115 11.0115 11.4680 11.4680 14.3935 14.3935 14.4365 14.4365 15.8359 15.8359 16.1926 16.1926 k = 0.1591 0.5000 0.1591 ( 1592 PWs) bands (ev): -36.3747 -36.3747 -15.3458 -15.3458 -14.8692 -14.8692 -14.7840 -14.7840 7.6327 7.6327 7.8225 7.8225 8.4417 8.4417 9.0390 9.0390 9.4510 9.4510 11.0064 11.0064 11.4031 11.4031 14.3673 14.3673 14.4303 14.4303 15.7470 15.7470 16.1908 16.1908 k = 0.1515 0.5000 0.1515 ( 1592 PWs) bands (ev): -36.3752 -36.3752 -15.3449 -15.3449 -14.8685 -14.8685 -14.7812 -14.7812 7.6221 7.6221 7.8167 7.8167 8.4352 8.4352 9.0460 9.0460 9.4767 9.4767 10.9981 10.9981 11.3411 11.3411 14.3099 14.3099 14.4552 14.4552 15.6604 15.6604 16.1887 16.1887 k = 0.1439 0.5000 0.1439 ( 1592 PWs) bands (ev): -36.3757 -36.3757 -15.3441 -15.3441 -14.8677 -14.8677 -14.7785 -14.7785 7.6097 7.6097 7.8113 7.8113 8.4328 8.4328 9.0543 9.0543 9.5030 9.5030 10.9847 10.9847 11.2841 11.2841 14.2530 14.2530 14.4795 14.4795 15.5765 15.5765 16.1865 16.1865 k = 0.1364 0.5000 0.1364 ( 1592 PWs) bands (ev): -36.3762 -36.3762 -15.3433 -15.3433 -14.8671 -14.8671 -14.7760 -14.7760 7.5956 7.5956 7.8063 7.8063 8.4340 8.4340 9.0638 9.0638 9.5295 9.5295 10.9635 10.9635 11.2350 11.2350 14.1976 14.1976 14.5022 14.5022 15.4953 15.4953 16.1839 16.1839 k = 0.1288 0.5000 0.1288 ( 1596 PWs) bands (ev): -36.3766 -36.3766 -15.3426 -15.3426 -14.8664 -14.8664 -14.7735 -14.7735 7.5801 7.5801 7.8016 7.8016 8.4386 8.4386 9.0744 9.0744 9.5561 9.5561 10.9319 10.9319 11.1966 11.1966 14.1442 14.1442 14.5232 14.5232 15.4171 15.4171 16.1809 16.1809 k = 0.1212 0.5000 0.1212 ( 1596 PWs) bands (ev): -36.3771 -36.3771 -15.3419 -15.3419 -14.8658 -14.8658 -14.7712 -14.7712 7.5637 7.5637 7.7974 7.7974 8.4461 8.4461 9.0861 9.0861 9.5826 9.5826 10.8893 10.8893 11.1697 11.1697 14.0930 14.0930 14.5423 14.5423 15.3421 15.3421 16.1776 16.1776 k = 0.1136 0.5000 0.1136 ( 1592 PWs) bands (ev): -36.3775 -36.3775 -15.3412 -15.3412 -14.8651 -14.8651 -14.7689 -14.7689 7.5468 7.5468 7.7934 7.7934 8.4561 8.4561 9.0989 9.0989 9.6089 9.6089 10.8378 10.8378 11.1527 11.1527 14.0441 14.0441 14.5597 14.5597 15.2705 15.2705 16.1741 16.1741 k = 0.1061 0.5000 0.1061 ( 1592 PWs) bands (ev): -36.3778 -36.3778 -15.3407 -15.3407 -14.8645 -14.8645 -14.7668 -14.7668 7.5296 7.5296 7.7898 7.7898 8.4682 8.4682 9.1127 9.1127 9.6347 9.6347 10.7804 10.7804 11.1425 11.1425 13.9975 13.9975 14.5753 14.5753 15.2027 15.2027 16.1702 16.1702 k = 0.0985 0.5000 0.0985 ( 1594 PWs) bands (ev): -36.3782 -36.3782 -15.3401 -15.3401 -14.8640 -14.8640 -14.7648 -14.7648 7.5125 7.5125 7.7863 7.7863 8.4819 8.4819 9.1275 9.1275 9.6600 9.6600 10.7197 10.7197 11.1369 11.1369 13.9535 13.9535 14.5890 14.5890 15.1387 15.1387 16.1661 16.1661 k = 0.0909 0.5000 0.0909 ( 1590 PWs) bands (ev): -36.3786 -36.3786 -15.3396 -15.3396 -14.8634 -14.8634 -14.7629 -14.7629 7.4958 7.4958 7.7831 7.7831 8.4969 8.4969 9.1430 9.1430 9.6846 9.6846 10.6576 10.6576 11.1342 11.1342 13.9122 13.9122 14.6009 14.6009 15.0791 15.0791 16.1619 16.1619 k = 0.0833 0.5000 0.0833 ( 1586 PWs) bands (ev): -36.3789 -36.3789 -15.3391 -15.3391 -14.8629 -14.8629 -14.7612 -14.7612 7.4798 7.4798 7.7800 7.7800 8.5126 8.5126 9.1593 9.1593 9.7084 9.7084 10.5956 10.5956 11.1333 11.1333 13.8737 13.8737 14.6107 14.6107 15.0241 15.0241 16.1577 16.1577 k = 0.0758 0.5000 0.0758 ( 1590 PWs) bands (ev): -36.3792 -36.3792 -15.3388 -15.3388 -14.8625 -14.8625 -14.7596 -14.7596 7.4647 7.4647 7.7771 7.7771 8.5287 8.5287 9.1761 9.1761 9.7311 9.7311 10.5344 10.5344 11.1336 11.1336 13.8380 13.8380 14.6185 14.6185 14.9740 14.9740 16.1534 16.1534 k = 0.0682 0.5000 0.0682 ( 1590 PWs) bands (ev): -36.3794 -36.3794 -15.3384 -15.3384 -14.8621 -14.8621 -14.7582 -14.7582 7.4505 7.4505 7.7745 7.7745 8.5448 8.5448 9.1933 9.1933 9.7529 9.7529 10.4749 10.4749 11.1346 11.1346 13.8053 13.8053 14.6239 14.6239 14.9294 14.9294 16.1493 16.1493 k = 0.0606 0.5000 0.0606 ( 1594 PWs) bands (ev): -36.3797 -36.3797 -15.3381 -15.3381 -14.8617 -14.8617 -14.7569 -14.7569 7.4376 7.4376 7.7720 7.7720 8.5604 8.5604 9.2107 9.2107 9.7736 9.7736 10.4178 10.4178 11.1361 11.1361 13.7757 13.7757 14.6268 14.6268 14.8907 14.8907 16.1453 16.1453 k = 0.0530 0.5000 0.0530 ( 1594 PWs) bands (ev): -36.3799 -36.3799 -15.3378 -15.3378 -14.8614 -14.8614 -14.7558 -14.7558 7.4259 7.4259 7.7698 7.7698 8.5752 8.5752 9.2279 9.2279 9.7930 9.7930 10.3636 10.3636 11.1377 11.1377 13.7494 13.7494 14.6271 14.6271 14.8582 14.8582 16.1416 16.1416 k = 0.0455 0.5000 0.0455 ( 1586 PWs) bands (ev): -36.3801 -36.3801 -15.3375 -15.3375 -14.8611 -14.8611 -14.7547 -14.7547 7.4156 7.4156 7.7679 7.7679 8.5888 8.5888 9.2446 9.2446 9.8112 9.8112 10.3132 10.3132 11.1395 11.1395 13.7265 13.7265 14.6248 14.6248 14.8322 14.8322 16.1383 16.1383 k = 0.0379 0.5000 0.0379 ( 1586 PWs) bands (ev): -36.3802 -36.3802 -15.3373 -15.3373 -14.8608 -14.8608 -14.7538 -14.7538 7.4068 7.4068 7.7662 7.7662 8.6009 8.6009 9.2603 9.2603 9.8281 9.8281 10.2673 10.2673 11.1412 11.1412 13.7068 13.7068 14.6201 14.6201 14.8125 14.8125 16.1353 16.1353 k = 0.0303 0.5000 0.0303 ( 1594 PWs) bands (ev): -36.3804 -36.3804 -15.3372 -15.3372 -14.8606 -14.8606 -14.7532 -14.7532 7.3995 7.3995 7.7647 7.7647 8.6112 8.6112 9.2743 9.2743 9.8433 9.8433 10.2267 10.2267 11.1427 11.1427 13.6906 13.6906 14.6141 14.6141 14.7983 14.7983 16.1328 16.1328 k = 0.0227 0.5000 0.0227 ( 1594 PWs) bands (ev): -36.3805 -36.3805 -15.3371 -15.3371 -14.8605 -14.8605 -14.7526 -14.7526 7.3937 7.3937 7.7636 7.7636 8.6194 8.6194 9.2861 9.2861 9.8566 9.8566 10.1927 10.1927 11.1439 11.1439 13.6780 13.6780 14.6078 14.6078 14.7887 14.7887 16.1308 16.1308 k = 0.0152 0.5000 0.0152 ( 1602 PWs) bands (ev): -36.3805 -36.3805 -15.3371 -15.3371 -14.8604 -14.8604 -14.7523 -14.7523 7.3896 7.3896 7.7628 7.7628 8.6255 8.6255 9.2951 9.2951 9.8673 9.8673 10.1666 10.1666 11.1449 11.1449 13.6689 13.6689 14.6024 14.6024 14.7827 14.7827 16.1294 16.1294 k = 0.0076 0.5000 0.0076 ( 1616 PWs) bands (ev): -36.3806 -36.3806 -15.3371 -15.3371 -14.8604 -14.8604 -14.7521 -14.7521 7.3871 7.3871 7.7623 7.7623 8.6291 8.6291 9.3008 9.3008 9.8743 9.8743 10.1499 10.1499 11.1454 11.1454 13.6632 13.6632 14.5987 14.5987 14.7794 14.7794 16.1285 16.1285 k = 0.0000 0.5000-0.0000 ( 1622 PWs) bands (ev): -36.3806 -36.3806 -15.3371 -15.3371 -14.8604 -14.8604 -14.7521 -14.7521 7.3863 7.3863 7.7621 7.7621 8.6304 8.6304 9.3027 9.3027 9.8768 9.8768 10.1442 10.1442 11.1456 11.1456 13.6614 13.6614 14.5974 14.5974 14.7783 14.7783 16.1282 16.1282 k = 0.5000 0.5000-0.0000 ( 1596 PWs) bands (ev): -36.3678 -36.3678 -15.3645 -15.3645 -14.9077 -14.9077 -14.7805 -14.7805 7.3512 7.3512 7.3632 7.3632 8.5526 8.5526 8.9181 8.9181 10.3031 10.3031 11.5285 11.5285 13.0367 13.0367 13.7355 13.7355 15.0089 15.0089 16.3286 16.3286 16.4297 16.4297 k = 0.5000 0.5000 0.0106 ( 1596 PWs) bands (ev): -36.3678 -36.3678 -15.3645 -15.3645 -14.9077 -14.9077 -14.7806 -14.7806 7.3525 7.3525 7.3638 7.3638 8.5528 8.5528 8.9178 8.9178 10.3032 10.3032 11.5288 11.5288 13.0348 13.0348 13.7329 13.7329 15.0104 15.0104 16.3321 16.3322 16.4341 16.4341 k = 0.5000 0.5000 0.0213 ( 1604 PWs) bands (ev): -36.3678 -36.3678 -15.3647 -15.3647 -14.9077 -14.9077 -14.7811 -14.7811 7.3565 7.3565 7.3653 7.3653 8.5534 8.5534 8.9167 8.9167 10.3033 10.3033 11.5295 11.5295 13.0291 13.0291 13.7248 13.7248 15.0148 15.0148 16.3429 16.3429 16.4472 16.4472 k = 0.5000 0.5000 0.0319 ( 1612 PWs) bands (ev): -36.3677 -36.3677 -15.3648 -15.3648 -14.9076 -14.9076 -14.7818 -14.7818 7.3631 7.3631 7.3679 7.3679 8.5545 8.5545 8.9150 8.9150 10.3035 10.3035 11.5308 11.5308 13.0197 13.0197 13.7116 13.7116 15.0222 15.0222 16.3607 16.3607 16.4689 16.4689 k = 0.5000 0.5000 0.0426 ( 1612 PWs) bands (ev): -36.3676 -36.3676 -15.3650 -15.3650 -14.9075 -14.9075 -14.7827 -14.7827 7.3715 7.3715 7.3723 7.3723 8.5562 8.5562 8.9126 8.9126 10.3038 10.3038 11.5326 11.5326 13.0068 13.0068 13.6936 13.6936 15.0325 15.0325 16.3854 16.3854 16.4988 16.4988 k = 0.5000 0.5000 0.0532 ( 1612 PWs) bands (ev): -36.3675 -36.3675 -15.3653 -15.3653 -14.9074 -14.9074 -14.7840 -14.7840 7.3761 7.3761 7.3840 7.3840 8.5585 8.5585 8.9096 8.9096 10.3041 10.3041 11.5349 11.5349 12.9904 12.9904 13.6710 13.6710 15.0458 15.0458 16.4168 16.4168 16.5368 16.5368 k = 0.5000 0.5000 0.0638 ( 1604 PWs) bands (ev): -36.3673 -36.3673 -15.3656 -15.3656 -14.9073 -14.9073 -14.7854 -14.7854 7.3817 7.3817 7.3980 7.3980 8.5616 8.5616 8.9060 8.9060 10.3046 10.3046 11.5378 11.5378 12.9710 12.9710 13.6443 13.6443 15.0620 15.0620 16.4548 16.4548 16.5823 16.5823 k = 0.5000 0.5000 0.0745 ( 1604 PWs) bands (ev): -36.3671 -36.3671 -15.3659 -15.3659 -14.9071 -14.9071 -14.7871 -14.7871 7.3882 7.3882 7.4142 7.4142 8.5656 8.5656 8.9017 8.9017 10.3051 10.3051 11.5411 11.5411 12.9486 12.9486 13.6139 13.6139 15.0811 15.0811 16.4991 16.4991 16.6349 16.6349 k = 0.5000 0.5000 0.0851 ( 1608 PWs) bands (ev): -36.3669 -36.3669 -15.3663 -15.3663 -14.9069 -14.9069 -14.7892 -14.7892 7.3955 7.3955 7.4324 7.4324 8.5707 8.5707 8.8969 8.8969 10.3058 10.3058 11.5449 11.5449 12.9236 12.9236 13.5802 13.5802 15.1031 15.1031 16.5493 16.5493 16.6941 16.6941 k = 0.5000 0.5000 0.0957 ( 1600 PWs) bands (ev): -36.3667 -36.3667 -15.3668 -15.3668 -14.9066 -14.9066 -14.7914 -14.7914 7.4038 7.4038 7.4523 7.4523 8.5772 8.5772 8.8916 8.8916 10.3065 10.3065 11.5493 11.5493 12.8962 12.8962 13.5437 13.5437 15.1279 15.1279 16.6052 16.6052 16.7596 16.7596 k = 0.5000 0.5000 0.1064 ( 1600 PWs) bands (ev): -36.3664 -36.3664 -15.3673 -15.3673 -14.9064 -14.9064 -14.7938 -14.7938 7.4127 7.4127 7.4738 7.4738 8.5853 8.5853 8.8857 8.8857 10.3074 10.3074 11.5541 11.5541 12.8668 12.8668 13.5048 13.5048 15.1556 15.1556 16.6665 16.6665 16.8308 16.8308 k = 0.5000 0.5000 0.1170 ( 1600 PWs) bands (ev): -36.3661 -36.3661 -15.3678 -15.3678 -14.9061 -14.9061 -14.7965 -14.7965 7.4224 7.4224 7.4964 7.4964 8.5952 8.5952 8.8795 8.8795 10.3083 10.3083 11.5593 11.5593 12.8357 12.8357 13.4640 13.4640 15.1861 15.1861 16.7329 16.7329 16.9073 16.9073 k = 0.5000 0.5000 0.1277 ( 1600 PWs) bands (ev): -36.3658 -36.3658 -15.3685 -15.3685 -14.9058 -14.9058 -14.7993 -14.7993 7.4328 7.4328 7.5199 7.5199 8.6073 8.6073 8.8728 8.8728 10.3094 10.3094 11.5650 11.5650 12.8030 12.8030 13.4217 13.4217 15.2194 15.2194 16.8038 16.8038 16.9119 16.9119 k = 0.5000 0.5000 0.1383 ( 1600 PWs) bands (ev): -36.3655 -36.3655 -15.3691 -15.3691 -14.9055 -14.9055 -14.8023 -14.8023 7.4438 7.4438 7.5438 7.5438 8.6220 8.6220 8.8658 8.8658 10.3105 10.3105 11.5711 11.5711 12.7692 12.7692 13.3781 13.3781 15.2555 15.2555 16.8777 16.8777 16.9155 16.9155 k = 0.5000 0.5000 0.1489 ( 1584 PWs) bands (ev): -36.3651 -36.3651 -15.3698 -15.3698 -14.9050 -14.9050 -14.8055 -14.8055 7.4553 7.4553 7.5680 7.5680 8.6397 8.6397 8.8585 8.8585 10.3118 10.3118 11.5778 11.5778 12.7344 12.7344 13.3336 13.3336 15.2942 15.2942 16.9121 16.9121 16.9630 16.9630 k = 0.5000 0.5000 0.1596 ( 1576 PWs) bands (ev): -36.3647 -36.3647 -15.3705 -15.3705 -14.9047 -14.9047 -14.8087 -14.8087 7.4673 7.4673 7.5918 7.5918 8.6607 8.6607 8.8511 8.8511 10.3132 10.3132 11.5847 11.5847 12.6990 12.6990 13.2886 13.2886 15.3356 15.3356 16.9152 16.9152 17.0458 17.0458 k = 0.5000 0.5000 0.1702 ( 1576 PWs) bands (ev): -36.3644 -36.3644 -15.3713 -15.3713 -14.9043 -14.9043 -14.8122 -14.8122 7.4796 7.4796 7.6148 7.6148 8.6853 8.6853 8.8433 8.8433 10.3146 10.3146 11.5921 11.5921 12.6632 12.6632 13.2432 13.2432 15.3796 15.3796 16.9174 16.9174 17.1334 17.1334 k = 0.5000 0.5000 0.1809 ( 1584 PWs) bands (ev): -36.3640 -36.3640 -15.3722 -15.3722 -14.9040 -14.9040 -14.8158 -14.8158 7.4922 7.4922 7.6368 7.6368 8.7139 8.7139 8.8355 8.8355 10.3162 10.3162 11.5997 11.5997 12.6271 12.6271 13.1977 13.1977 15.4261 15.4261 16.9195 16.9195 17.2245 17.2245 k = 0.5000 0.5000 0.1915 ( 1592 PWs) bands (ev): -36.3635 -36.3635 -15.3732 -15.3732 -14.9036 -14.9036 -14.8195 -14.8195 7.5050 7.5050 7.6573 7.6573 8.7467 8.7467 8.8275 8.8275 10.3179 10.3179 11.6077 11.6077 12.5911 12.5911 13.1523 13.1523 15.4751 15.4751 16.9215 16.9215 17.3187 17.3187 k = 0.5000 0.5000 0.2021 ( 1592 PWs) bands (ev): -36.3631 -36.3631 -15.3741 -15.3741 -14.9032 -14.9032 -14.8233 -14.8233 7.5179 7.5179 7.6761 7.6761 8.7841 8.7841 8.8196 8.8196 10.3196 10.3196 11.6161 11.6161 12.5554 12.5554 13.1073 13.1073 15.5264 15.5264 16.9236 16.9236 17.4155 17.4155 k = 0.5000 0.5000 0.2128 ( 1588 PWs) bands (ev): -36.3627 -36.3627 -15.3751 -15.3751 -14.9028 -14.9028 -14.8270 -14.8270 7.5310 7.5310 7.6930 7.6930 8.8117 8.8117 8.8260 8.8260 10.3215 10.3215 11.6247 11.6247 12.5203 12.5203 13.0628 13.0628 15.5801 15.5801 16.9257 16.9257 17.5139 17.5139 k = 0.5000 0.5000 0.2234 ( 1588 PWs) bands (ev): -36.3623 -36.3623 -15.3761 -15.3761 -14.9024 -14.9024 -14.8309 -14.8309 7.5439 7.5439 7.7078 7.7078 8.8040 8.8040 8.8727 8.8727 10.3235 10.3235 11.6335 11.6335 12.4858 12.4858 13.0190 13.0190 15.6358 15.6358 16.9279 16.9279 17.6110 17.6110 k = 0.5000 0.5000 0.2340 ( 1596 PWs) bands (ev): -36.3618 -36.3618 -15.3772 -15.3772 -14.9020 -14.9020 -14.8348 -14.8348 7.5568 7.5568 7.7204 7.7204 8.7963 8.7963 8.9239 8.9239 10.3255 10.3255 11.6424 11.6424 12.4523 12.4523 12.9759 12.9759 15.6936 15.6936 16.9300 16.9300 17.6927 17.6927 k = 0.5000 0.5000 0.2447 ( 1596 PWs) bands (ev): -36.3614 -36.3614 -15.3782 -15.3782 -14.9016 -14.9016 -14.8387 -14.8387 7.5695 7.5695 7.7310 7.7310 8.7889 8.7889 8.9795 8.9795 10.3276 10.3276 11.6515 11.6515 12.4200 12.4200 12.9338 12.9338 15.7532 15.7532 16.9322 16.9322 17.6847 17.6847 k = 0.5000 0.5000 0.2553 ( 1596 PWs) bands (ev): -36.3609 -36.3609 -15.3793 -15.3793 -14.9011 -14.9011 -14.8425 -14.8425 7.5820 7.5820 7.7396 7.7396 8.7818 8.7818 9.0393 9.0393 10.3297 10.3297 11.6606 11.6606 12.3891 12.3891 12.8927 12.8927 15.8146 15.8146 16.9343 16.9343 17.5858 17.5858 k = 0.5000 0.5000 0.2660 ( 1596 PWs) bands (ev): -36.3605 -36.3605 -15.3805 -15.3805 -14.9007 -14.9007 -14.8463 -14.8463 7.5941 7.5941 7.7463 7.7463 8.7749 8.7749 9.1030 9.1030 10.3319 10.3319 11.6696 11.6696 12.3598 12.3598 12.8528 12.8528 15.8776 15.8776 16.9365 16.9365 17.4656 17.4656 k = 0.5000 0.5000 0.2766 ( 1596 PWs) bands (ev): -36.3600 -36.3600 -15.3816 -15.3816 -14.9003 -14.9003 -14.8500 -14.8500 7.6059 7.6059 7.7512 7.7512 8.7684 8.7684 9.1702 9.1702 10.3342 10.3342 11.6784 11.6784 12.3324 12.3324 12.8140 12.8140 15.9418 15.9418 16.9386 16.9386 17.3376 17.3376 k = 0.5000 0.5000 0.2872 ( 1592 PWs) bands (ev): -36.3596 -36.3596 -15.3827 -15.3827 -14.8999 -14.8999 -14.8537 -14.8537 7.6172 7.6172 7.7546 7.7546 8.7622 8.7622 9.2405 9.2405 10.3364 10.3364 11.6869 11.6869 12.3072 12.3072 12.7767 12.7767 16.0072 16.0072 16.9406 16.9406 17.2050 17.2050 k = 0.5000 0.5000 0.2979 ( 1592 PWs) bands (ev): -36.3592 -36.3592 -15.3839 -15.3839 -14.8994 -14.8994 -14.8573 -14.8573 7.6281 7.6281 7.7567 7.7567 8.7564 8.7564 9.3133 9.3133 10.3387 10.3387 11.6949 11.6949 12.2845 12.2845 12.7407 12.7407 16.0734 16.0734 16.9423 16.9423 17.0692 17.0692 k = 0.5000 0.5000 0.3085 ( 1592 PWs) bands (ev): -36.3587 -36.3587 -15.3850 -15.3850 -14.8990 -14.8990 -14.8608 -14.8608 7.6384 7.6384 7.7576 7.7576 8.7511 8.7511 9.3882 9.3882 10.3410 10.3410 11.7022 11.7022 12.2646 12.2646 12.7062 12.7062 16.1402 16.1402 16.9245 16.9245 16.9501 16.9501 k = 0.5000 0.5000 0.3191 ( 1580 PWs) bands (ev): -36.3583 -36.3583 -15.3861 -15.3861 -14.8986 -14.8986 -14.8641 -14.8641 7.6483 7.6483 7.7575 7.7575 8.7462 8.7462 9.4647 9.4647 10.3433 10.3433 11.7087 11.7087 12.2480 12.2480 12.6733 12.6733 16.2073 16.2073 16.7883 16.7883 16.9478 16.9478 k = 0.5000 0.5000 0.3298 ( 1588 PWs) bands (ev): -36.3579 -36.3579 -15.3872 -15.3872 -14.8983 -14.8983 -14.8674 -14.8674 7.6575 7.6575 7.7566 7.7566 8.7416 8.7416 9.5422 9.5422 10.3455 10.3455 11.7140 11.7140 12.2347 12.2347 12.6417 12.6417 16.2743 16.2743 16.6470 16.6470 16.9495 16.9495 k = 0.5000 0.5000 0.3404 ( 1588 PWs) bands (ev): -36.3575 -36.3575 -15.3883 -15.3883 -14.8979 -14.8979 -14.8705 -14.8705 7.6661 7.6661 7.7551 7.7551 8.7376 8.7376 9.6200 9.6200 10.3477 10.3477 11.7181 11.7181 12.2253 12.2253 12.6120 12.6120 16.3409 16.3409 16.5054 16.5054 16.9512 16.9512 k = 0.5000 0.5000 0.3511 ( 1588 PWs) bands (ev): -36.3572 -36.3572 -15.3894 -15.3894 -14.8976 -14.8976 -14.8735 -14.8735 7.6741 7.6741 7.7530 7.7530 8.7339 8.7339 9.6975 9.6975 10.3498 10.3498 11.7207 11.7207 12.2200 12.2200 12.5840 12.5840 16.3644 16.3644 16.4066 16.4066 16.9530 16.9530 k = 0.5000 0.5000 0.3617 ( 1596 PWs) bands (ev): -36.3568 -36.3568 -15.3904 -15.3904 -14.8973 -14.8973 -14.8764 -14.8764 7.6815 7.6815 7.7505 7.7505 8.7306 8.7306 9.7740 9.7740 10.3519 10.3519 11.7218 11.7218 12.2188 12.2188 12.5575 12.5575 16.2248 16.2248 16.4710 16.4710 16.9547 16.9547 k = 0.5000 0.5000 0.3723 ( 1596 PWs) bands (ev): -36.3565 -36.3565 -15.3914 -15.3914 -14.8969 -14.8969 -14.8790 -14.8790 7.6882 7.6882 7.7479 7.7479 8.7277 8.7277 9.8489 9.8489 10.3539 10.3539 11.7214 11.7214 12.2220 12.2220 12.5330 12.5330 16.0878 16.0878 16.5338 16.5338 16.9563 16.9563 k = 0.5000 0.5000 0.3830 ( 1596 PWs) bands (ev): -36.3562 -36.3562 -15.3924 -15.3924 -14.8966 -14.8966 -14.8815 -14.8815 7.6944 7.6944 7.7450 7.7450 8.7252 8.7252 9.9214 9.9214 10.3558 10.3558 11.7196 11.7196 12.2294 12.2294 12.5103 12.5103 15.9542 15.9542 16.5942 16.5942 16.9578 16.9578 k = 0.5000 0.5000 0.3936 ( 1596 PWs) bands (ev): -36.3559 -36.3559 -15.3932 -15.3932 -14.8963 -14.8963 -14.8838 -14.8838 7.6999 7.6999 7.7422 7.7422 8.7231 8.7231 9.9907 9.9907 10.3576 10.3576 11.7166 11.7166 12.2406 12.2406 12.4895 12.4895 15.8251 15.8251 16.6520 16.6520 16.9592 16.9592 k = 0.5000 0.5000 0.4043 ( 1596 PWs) bands (ev): -36.3556 -36.3556 -15.3940 -15.3940 -14.8961 -14.8961 -14.8859 -14.8859 7.7048 7.7048 7.7393 7.7393 8.7212 8.7212 10.0562 10.0562 10.3592 10.3592 11.7126 11.7126 12.2551 12.2551 12.4705 12.4705 15.7018 15.7018 16.7064 16.7064 16.9605 16.9605 k = 0.5000 0.5000 0.4149 ( 1596 PWs) bands (ev): -36.3554 -36.3554 -15.3948 -15.3948 -14.8958 -14.8958 -14.8878 -14.8878 7.7092 7.7092 7.7366 7.7366 8.7197 8.7197 10.1171 10.1171 10.3607 10.3607 11.7079 11.7079 12.2723 12.2723 12.4535 12.4535 15.5855 15.5855 16.7571 16.7571 16.9616 16.9616 k = 0.5000 0.5000 0.4255 ( 1596 PWs) bands (ev): -36.3552 -36.3552 -15.3955 -15.3955 -14.8956 -14.8956 -14.8895 -14.8895 7.7129 7.7129 7.7341 7.7341 8.7184 8.7184 10.1726 10.1726 10.3621 10.3621 11.7029 11.7029 12.2915 12.2915 12.4385 12.4385 15.4776 15.4776 16.8034 16.8034 16.9627 16.9627 k = 0.5000 0.5000 0.4362 ( 1596 PWs) bands (ev): -36.3550 -36.3550 -15.3961 -15.3961 -14.8955 -14.8955 -14.8909 -14.8909 7.7162 7.7162 7.7318 7.7318 8.7174 8.7174 10.2222 10.2222 10.3633 10.3633 11.6978 11.6978 12.3115 12.3115 12.4254 12.4254 15.3795 15.3795 16.8448 16.8448 16.9636 16.9636 k = 0.5000 0.5000 0.4468 ( 1596 PWs) bands (ev): -36.3548 -36.3548 -15.3966 -15.3966 -14.8953 -14.8953 -14.8922 -14.8922 7.7189 7.7189 7.7297 7.7297 8.7165 8.7165 10.2652 10.2652 10.3643 10.3643 11.6931 11.6931 12.3314 12.3314 12.4142 12.4142 15.2928 15.2928 16.8808 16.8808 16.9644 16.9644 k = 0.5000 0.5000 0.4574 ( 1592 PWs) bands (ev): -36.3547 -36.3547 -15.3970 -15.3970 -14.8952 -14.8952 -14.8932 -14.8932 7.7211 7.7211 7.7280 7.7280 8.7159 8.7159 10.3012 10.3012 10.3652 10.3652 11.6889 11.6889 12.3500 12.3500 12.4051 12.4051 15.2190 15.2190 16.9109 16.9109 16.9650 16.9650 k = 0.5000 0.5000 0.4681 ( 1568 PWs) bands (ev): -36.3546 -36.3546 -15.3972 -15.3972 -14.8950 -14.8950 -14.8938 -14.8938 7.7228 7.7228 7.7267 7.7267 8.7155 8.7155 10.3296 10.3296 10.3659 10.3659 11.6856 11.6856 12.3663 12.3663 12.3984 12.3984 15.1597 15.1597 16.9349 16.9349 16.9656 16.9656 k = 0.5000 0.5000 0.4787 ( 1568 PWs) bands (ev): -36.3545 -36.3545 -15.3974 -15.3974 -14.8949 -14.8949 -14.8944 -14.8944 7.7240 7.7240 7.7257 7.7257 8.7151 8.7151 10.3501 10.3501 10.3663 10.3663 11.6830 11.6830 12.3787 12.3787 12.3933 12.3933 15.1163 15.1163 16.9522 16.9522 16.9659 16.9659 k = 0.5000 0.5000 0.4894 ( 1568 PWs) bands (ev): -36.3545 -36.3545 -15.3975 -15.3975 -14.8948 -14.8948 -14.8947 -14.8947 7.7247 7.7247 7.7251 7.7251 8.7149 8.7149 10.3626 10.3626 10.3666 10.3666 11.6814 11.6814 12.3866 12.3866 12.3903 12.3903 15.0897 15.0897 16.9627 16.9627 16.9661 16.9661 k = 0.5000 0.5000 0.5000 ( 1568 PWs) bands (ev): -36.3544 -36.3544 -15.3976 -15.3976 -14.8948 -14.8948 -14.8948 -14.8948 7.7249 7.7249 7.7249 7.7249 8.7149 8.7149 10.3667 10.3667 10.3667 10.3667 11.6808 11.6808 12.3893 12.3893 12.3893 12.3893 15.0807 15.0807 16.9662 16.9662 16.9662 16.9662 Writing output data file ScAu.save init_run : 0.16s CPU 0.28s WALL ( 1 calls) electrons : 53.41s CPU 54.84s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.02s WALL ( 1 calls) Called by electrons: c_bands : 53.40s CPU 54.83s 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 : 0.01s CPU 0.02s WALL ( 360 calls) cegterg : 48.89s CPU 50.02s WALL ( 413 calls) Called by sum_band: Called by *egterg: h_psi : 23.91s CPU 25.08s WALL ( 6790 calls) s_psi : 1.31s CPU 1.25s WALL ( 6790 calls) g_psi : 0.07s CPU 0.07s WALL ( 6017 calls) cdiaghg : 22.18s CPU 22.30s WALL ( 6377 calls) cegterg:over : 1.72s CPU 1.79s WALL ( 6017 calls) cegterg:upda : 1.07s CPU 1.16s WALL ( 6017 calls) cegterg:last : 0.79s CPU 0.74s WALL ( 1498 calls) cdiaghg:chol : 1.04s CPU 1.11s WALL ( 6377 calls) cdiaghg:inve : 0.46s CPU 0.52s WALL ( 6377 calls) cdiaghg:para : 1.28s CPU 1.33s WALL ( 12754 calls) Called by h_psi: h_psi:vloc : 21.34s CPU 22.22s WALL ( 6790 calls) h_psi:vnl : 2.55s CPU 2.82s WALL ( 6790 calls) add_vuspsi : 1.58s CPU 1.67s WALL ( 6790 calls) General routines calbec : 0.94s CPU 1.14s WALL ( 6790 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 19.70s CPU 20.53s WALL ( 561368 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.08s CPU 0.08s WALL ( 720 calls) Parallel routines fft_scatter : 10.55s CPU 11.02s WALL ( 561391 calls) PWSCF : 1m 1.16s CPU 1m14.12s WALL This run was terminated on: 13:36:28 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=