Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 13:36:58 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: ./YAu.save/ file Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D renormalized file Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 4P 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 42 16 5 1241 300 53 Max 44 17 6 1244 317 56 Sum 1533 593 185 44713 11075 1935 bravais-lattice index = 14 lattice parameter (alat) = 6.7255 a.u. unit-cell volume = 304.2149 (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 = 42.0000 Ry charge density cutoff = 424.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.725535 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 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 PseudoPot. # 2 for Y read from file: /users/gautes/Pseudo/Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 25a826a599bbcba7ebf619f9598d90b1 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 1223 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 Au 11.00 196.96660 Au( 1.00) Y 11.00 88.90590 Y( 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= 344 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029070 k( 2) = ( 0.0000000 0.0111111 -0.0000000), wk = 0.0029070 k( 3) = ( 0.0000000 0.0222222 -0.0000000), wk = 0.0029070 k( 4) = ( 0.0000000 0.0333333 -0.0000000), wk = 0.0029070 k( 5) = ( 0.0000000 0.0444444 -0.0000000), wk = 0.0029070 k( 6) = ( 0.0000000 0.0555556 -0.0000000), wk = 0.0029070 k( 7) = ( 0.0000000 0.0666667 -0.0000000), wk = 0.0029070 k( 8) = ( 0.0000000 0.0777778 -0.0000000), wk = 0.0029070 k( 9) = ( 0.0000000 0.0888889 -0.0000000), wk = 0.0029070 k( 10) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0029070 k( 11) = ( 0.0000000 0.1111111 -0.0000000), wk = 0.0029070 k( 12) = ( 0.0000000 0.1222222 -0.0000000), wk = 0.0029070 k( 13) = ( 0.0000000 0.1333333 -0.0000000), wk = 0.0029070 k( 14) = ( 0.0000000 0.1444444 -0.0000000), wk = 0.0029070 k( 15) = ( 0.0000000 0.1555556 -0.0000000), wk = 0.0029070 k( 16) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0029070 k( 17) = ( 0.0000000 0.1777778 -0.0000000), wk = 0.0029070 k( 18) = ( 0.0000000 0.1888889 -0.0000000), wk = 0.0029070 k( 19) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0029070 k( 20) = ( 0.0000000 0.2111111 -0.0000000), wk = 0.0029070 k( 21) = ( 0.0000000 0.2222222 -0.0000000), wk = 0.0029070 k( 22) = ( 0.0000000 0.2333333 -0.0000000), wk = 0.0029070 k( 23) = ( 0.0000000 0.2444444 -0.0000000), wk = 0.0029070 k( 24) = ( 0.0000000 0.2555556 -0.0000000), wk = 0.0029070 k( 25) = ( 0.0000000 0.2666667 -0.0000000), wk = 0.0029070 k( 26) = ( 0.0000000 0.2777778 -0.0000000), wk = 0.0029070 k( 27) = ( 0.0000000 0.2888889 -0.0000000), wk = 0.0029070 k( 28) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0029070 k( 29) = ( 0.0000000 0.3111111 -0.0000000), wk = 0.0029070 k( 30) = ( 0.0000000 0.3222222 -0.0000000), wk = 0.0029070 k( 31) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0029070 k( 32) = ( 0.0000000 0.3444444 -0.0000000), wk = 0.0029070 k( 33) = ( 0.0000000 0.3555556 -0.0000000), wk = 0.0029070 k( 34) = ( 0.0000000 0.3666667 -0.0000000), wk = 0.0029070 k( 35) = ( 0.0000000 0.3777778 -0.0000000), wk = 0.0029070 k( 36) = ( 0.0000000 0.3888889 -0.0000000), wk = 0.0029070 k( 37) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0029070 k( 38) = ( 0.0000000 0.4111111 -0.0000000), wk = 0.0029070 k( 39) = ( 0.0000000 0.4222222 -0.0000000), wk = 0.0029070 k( 40) = ( 0.0000000 0.4333333 -0.0000000), wk = 0.0029070 k( 41) = ( 0.0000000 0.4444444 -0.0000000), wk = 0.0029070 k( 42) = ( 0.0000000 0.4555556 -0.0000000), wk = 0.0029070 k( 43) = ( 0.0000000 0.4666667 -0.0000000), wk = 0.0029070 k( 44) = ( 0.0000000 0.4777778 -0.0000000), wk = 0.0029070 k( 45) = ( 0.0000000 0.4888889 -0.0000000), wk = 0.0029070 k( 46) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029070 k( 47) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029070 k( 48) = ( 0.0111111 0.5000000 -0.0000000), wk = 0.0029070 k( 49) = ( 0.0222222 0.5000000 -0.0000000), wk = 0.0029070 k( 50) = ( 0.0333333 0.5000000 -0.0000000), wk = 0.0029070 k( 51) = ( 0.0444444 0.5000000 -0.0000000), wk = 0.0029070 k( 52) = ( 0.0555556 0.5000000 -0.0000000), wk = 0.0029070 k( 53) = ( 0.0666667 0.5000000 -0.0000000), wk = 0.0029070 k( 54) = ( 0.0777778 0.5000000 -0.0000000), wk = 0.0029070 k( 55) = ( 0.0888889 0.5000000 -0.0000000), wk = 0.0029070 k( 56) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0029070 k( 57) = ( 0.1111111 0.5000000 -0.0000000), wk = 0.0029070 k( 58) = ( 0.1222222 0.5000000 -0.0000000), wk = 0.0029070 k( 59) = ( 0.1333333 0.5000000 -0.0000000), wk = 0.0029070 k( 60) = ( 0.1444444 0.5000000 -0.0000000), wk = 0.0029070 k( 61) = ( 0.1555556 0.5000000 -0.0000000), wk = 0.0029070 k( 62) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0029070 k( 63) = ( 0.1777778 0.5000000 -0.0000000), wk = 0.0029070 k( 64) = ( 0.1888889 0.5000000 -0.0000000), wk = 0.0029070 k( 65) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0029070 k( 66) = ( 0.2111111 0.5000000 -0.0000000), wk = 0.0029070 k( 67) = ( 0.2222222 0.5000000 -0.0000000), wk = 0.0029070 k( 68) = ( 0.2333333 0.5000000 -0.0000000), wk = 0.0029070 k( 69) = ( 0.2444444 0.5000000 -0.0000000), wk = 0.0029070 k( 70) = ( 0.2555556 0.5000000 -0.0000000), wk = 0.0029070 k( 71) = ( 0.2666667 0.5000000 -0.0000000), wk = 0.0029070 k( 72) = ( 0.2777778 0.5000000 -0.0000000), wk = 0.0029070 k( 73) = ( 0.2888889 0.5000000 -0.0000000), wk = 0.0029070 k( 74) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0029070 k( 75) = ( 0.3111111 0.5000000 -0.0000000), wk = 0.0029070 k( 76) = ( 0.3222222 0.5000000 -0.0000000), wk = 0.0029070 k( 77) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0029070 k( 78) = ( 0.3444444 0.5000000 -0.0000000), wk = 0.0029070 k( 79) = ( 0.3555556 0.5000000 -0.0000000), wk = 0.0029070 k( 80) = ( 0.3666667 0.5000000 -0.0000000), wk = 0.0029070 k( 81) = ( 0.3777778 0.5000000 -0.0000000), wk = 0.0029070 k( 82) = ( 0.3888889 0.5000000 -0.0000000), wk = 0.0029070 k( 83) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0029070 k( 84) = ( 0.4111111 0.5000000 -0.0000000), wk = 0.0029070 k( 85) = ( 0.4222222 0.5000000 -0.0000000), wk = 0.0029070 k( 86) = ( 0.4333333 0.5000000 -0.0000000), wk = 0.0029070 k( 87) = ( 0.4444444 0.5000000 -0.0000000), wk = 0.0029070 k( 88) = ( 0.4555556 0.5000000 -0.0000000), wk = 0.0029070 k( 89) = ( 0.4666667 0.5000000 -0.0000000), wk = 0.0029070 k( 90) = ( 0.4777778 0.5000000 -0.0000000), wk = 0.0029070 k( 91) = ( 0.4888889 0.5000000 -0.0000000), wk = 0.0029070 k( 92) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029070 k( 93) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029070 k( 94) = ( 0.4920635 0.4920635 -0.0000000), wk = 0.0029070 k( 95) = ( 0.4841270 0.4841270 -0.0000000), wk = 0.0029070 k( 96) = ( 0.4761905 0.4761905 -0.0000000), wk = 0.0029070 k( 97) = ( 0.4682540 0.4682540 -0.0000000), wk = 0.0029070 k( 98) = ( 0.4603175 0.4603175 -0.0000000), wk = 0.0029070 k( 99) = ( 0.4523810 0.4523809 -0.0000000), wk = 0.0029070 k( 100) = ( 0.4444444 0.4444444 -0.0000000), wk = 0.0029070 k( 101) = ( 0.4365079 0.4365079 -0.0000000), wk = 0.0029070 k( 102) = ( 0.4285714 0.4285714 -0.0000000), wk = 0.0029070 k( 103) = ( 0.4206349 0.4206349 -0.0000000), wk = 0.0029070 k( 104) = ( 0.4126984 0.4126984 -0.0000000), wk = 0.0029070 k( 105) = ( 0.4047619 0.4047619 -0.0000000), wk = 0.0029070 k( 106) = ( 0.3968254 0.3968254 -0.0000000), wk = 0.0029070 k( 107) = ( 0.3888889 0.3888889 -0.0000000), wk = 0.0029070 k( 108) = ( 0.3809524 0.3809524 -0.0000000), wk = 0.0029070 k( 109) = ( 0.3730159 0.3730159 -0.0000000), wk = 0.0029070 k( 110) = ( 0.3650794 0.3650794 -0.0000000), wk = 0.0029070 k( 111) = ( 0.3571429 0.3571429 -0.0000000), wk = 0.0029070 k( 112) = ( 0.3492063 0.3492063 -0.0000000), wk = 0.0029070 k( 113) = ( 0.3412698 0.3412698 -0.0000000), wk = 0.0029070 k( 114) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0029070 k( 115) = ( 0.3253968 0.3253968 -0.0000000), wk = 0.0029070 k( 116) = ( 0.3174603 0.3174603 -0.0000000), wk = 0.0029070 k( 117) = ( 0.3095238 0.3095238 -0.0000000), wk = 0.0029070 k( 118) = ( 0.3015873 0.3015873 -0.0000000), wk = 0.0029070 k( 119) = ( 0.2936508 0.2936508 -0.0000000), wk = 0.0029070 k( 120) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0029070 k( 121) = ( 0.2777778 0.2777778 -0.0000000), wk = 0.0029070 k( 122) = ( 0.2698413 0.2698413 -0.0000000), wk = 0.0029070 k( 123) = ( 0.2619048 0.2619048 -0.0000000), wk = 0.0029070 k( 124) = ( 0.2539683 0.2539683 -0.0000000), wk = 0.0029070 k( 125) = ( 0.2460317 0.2460317 -0.0000000), wk = 0.0029070 k( 126) = ( 0.2380952 0.2380952 -0.0000000), wk = 0.0029070 k( 127) = ( 0.2301587 0.2301587 -0.0000000), wk = 0.0029070 k( 128) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0029070 k( 129) = ( 0.2142857 0.2142857 -0.0000000), wk = 0.0029070 k( 130) = ( 0.2063492 0.2063492 -0.0000000), wk = 0.0029070 k( 131) = ( 0.1984127 0.1984127 -0.0000000), wk = 0.0029070 k( 132) = ( 0.1904762 0.1904762 -0.0000000), wk = 0.0029070 k( 133) = ( 0.1825397 0.1825397 -0.0000000), wk = 0.0029070 k( 134) = ( 0.1746032 0.1746032 -0.0000000), wk = 0.0029070 k( 135) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0029070 k( 136) = ( 0.1587302 0.1587302 -0.0000000), wk = 0.0029070 k( 137) = ( 0.1507937 0.1507936 -0.0000000), wk = 0.0029070 k( 138) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0029070 k( 139) = ( 0.1349206 0.1349206 -0.0000000), wk = 0.0029070 k( 140) = ( 0.1269841 0.1269841 -0.0000000), wk = 0.0029070 k( 141) = ( 0.1190476 0.1190476 -0.0000000), wk = 0.0029070 k( 142) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0029070 k( 143) = ( 0.1031746 0.1031746 -0.0000000), wk = 0.0029070 k( 144) = ( 0.0952381 0.0952381 -0.0000000), wk = 0.0029070 k( 145) = ( 0.0873016 0.0873016 -0.0000000), wk = 0.0029070 k( 146) = ( 0.0793651 0.0793651 -0.0000000), wk = 0.0029070 k( 147) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0029070 k( 148) = ( 0.0634921 0.0634921 -0.0000000), wk = 0.0029070 k( 149) = ( 0.0555556 0.0555556 -0.0000000), wk = 0.0029070 k( 150) = ( 0.0476191 0.0476190 -0.0000000), wk = 0.0029070 k( 151) = ( 0.0396825 0.0396825 -0.0000000), wk = 0.0029070 k( 152) = ( 0.0317460 0.0317460 -0.0000000), wk = 0.0029070 k( 153) = ( 0.0238095 0.0238095 -0.0000000), wk = 0.0029070 k( 154) = ( 0.0158730 0.0158730 -0.0000000), wk = 0.0029070 k( 155) = ( 0.0079365 0.0079365 -0.0000000), wk = 0.0029070 k( 156) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029070 k( 157) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029070 k( 158) = ( 0.0064935 0.0064935 0.0064935), wk = 0.0029070 k( 159) = ( 0.0129870 0.0129870 0.0129870), wk = 0.0029070 k( 160) = ( 0.0194805 0.0194805 0.0194805), wk = 0.0029070 k( 161) = ( 0.0259740 0.0259740 0.0259740), wk = 0.0029070 k( 162) = ( 0.0324675 0.0324675 0.0324675), wk = 0.0029070 k( 163) = ( 0.0389610 0.0389610 0.0389610), wk = 0.0029070 k( 164) = ( 0.0454546 0.0454545 0.0454545), wk = 0.0029070 k( 165) = ( 0.0519481 0.0519480 0.0519480), wk = 0.0029070 k( 166) = ( 0.0584416 0.0584416 0.0584416), wk = 0.0029070 k( 167) = ( 0.0649351 0.0649351 0.0649351), wk = 0.0029070 k( 168) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0029070 k( 169) = ( 0.0779221 0.0779221 0.0779221), wk = 0.0029070 k( 170) = ( 0.0844156 0.0844156 0.0844156), wk = 0.0029070 k( 171) = ( 0.0909091 0.0909091 0.0909091), wk = 0.0029070 k( 172) = ( 0.0974026 0.0974026 0.0974026), wk = 0.0029070 k( 173) = ( 0.1038961 0.1038961 0.1038961), wk = 0.0029070 k( 174) = ( 0.1103896 0.1103896 0.1103896), wk = 0.0029070 k( 175) = ( 0.1168831 0.1168831 0.1168831), wk = 0.0029070 k( 176) = ( 0.1233766 0.1233766 0.1233766), wk = 0.0029070 k( 177) = ( 0.1298701 0.1298701 0.1298701), wk = 0.0029070 k( 178) = ( 0.1363636 0.1363636 0.1363636), wk = 0.0029070 k( 179) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0029070 k( 180) = ( 0.1493507 0.1493506 0.1493506), wk = 0.0029070 k( 181) = ( 0.1558442 0.1558442 0.1558442), wk = 0.0029070 k( 182) = ( 0.1623377 0.1623377 0.1623377), wk = 0.0029070 k( 183) = ( 0.1688312 0.1688312 0.1688312), wk = 0.0029070 k( 184) = ( 0.1753247 0.1753247 0.1753247), wk = 0.0029070 k( 185) = ( 0.1818182 0.1818182 0.1818182), wk = 0.0029070 k( 186) = ( 0.1883117 0.1883117 0.1883117), wk = 0.0029070 k( 187) = ( 0.1948052 0.1948052 0.1948052), wk = 0.0029070 k( 188) = ( 0.2012987 0.2012987 0.2012987), wk = 0.0029070 k( 189) = ( 0.2077922 0.2077922 0.2077922), wk = 0.0029070 k( 190) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0029070 k( 191) = ( 0.2207792 0.2207792 0.2207792), wk = 0.0029070 k( 192) = ( 0.2272727 0.2272727 0.2272727), wk = 0.0029070 k( 193) = ( 0.2337662 0.2337662 0.2337662), wk = 0.0029070 k( 194) = ( 0.2402597 0.2402597 0.2402597), wk = 0.0029070 k( 195) = ( 0.2467533 0.2467532 0.2467532), wk = 0.0029070 k( 196) = ( 0.2532468 0.2532468 0.2532467), wk = 0.0029070 k( 197) = ( 0.2597403 0.2597403 0.2597403), wk = 0.0029070 k( 198) = ( 0.2662338 0.2662338 0.2662338), wk = 0.0029070 k( 199) = ( 0.2727273 0.2727273 0.2727273), wk = 0.0029070 k( 200) = ( 0.2792208 0.2792208 0.2792208), wk = 0.0029070 k( 201) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0029070 k( 202) = ( 0.2922078 0.2922078 0.2922078), wk = 0.0029070 k( 203) = ( 0.2987013 0.2987013 0.2987013), wk = 0.0029070 k( 204) = ( 0.3051948 0.3051948 0.3051948), wk = 0.0029070 k( 205) = ( 0.3116883 0.3116883 0.3116883), wk = 0.0029070 k( 206) = ( 0.3181818 0.3181818 0.3181818), wk = 0.0029070 k( 207) = ( 0.3246753 0.3246753 0.3246753), wk = 0.0029070 k( 208) = ( 0.3311688 0.3311688 0.3311688), wk = 0.0029070 k( 209) = ( 0.3376623 0.3376623 0.3376623), wk = 0.0029070 k( 210) = ( 0.3441558 0.3441558 0.3441558), wk = 0.0029070 k( 211) = ( 0.3506494 0.3506493 0.3506493), wk = 0.0029070 k( 212) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0029070 k( 213) = ( 0.3636364 0.3636364 0.3636364), wk = 0.0029070 k( 214) = ( 0.3701299 0.3701299 0.3701299), wk = 0.0029070 k( 215) = ( 0.3766234 0.3766234 0.3766234), wk = 0.0029070 k( 216) = ( 0.3831169 0.3831169 0.3831169), wk = 0.0029070 k( 217) = ( 0.3896104 0.3896104 0.3896104), wk = 0.0029070 k( 218) = ( 0.3961039 0.3961039 0.3961039), wk = 0.0029070 k( 219) = ( 0.4025974 0.4025974 0.4025974), wk = 0.0029070 k( 220) = ( 0.4090909 0.4090909 0.4090909), wk = 0.0029070 k( 221) = ( 0.4155844 0.4155844 0.4155844), wk = 0.0029070 k( 222) = ( 0.4220779 0.4220779 0.4220779), wk = 0.0029070 k( 223) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0029070 k( 224) = ( 0.4350649 0.4350649 0.4350649), wk = 0.0029070 k( 225) = ( 0.4415584 0.4415584 0.4415584), wk = 0.0029070 k( 226) = ( 0.4480519 0.4480519 0.4480519), wk = 0.0029070 k( 227) = ( 0.4545455 0.4545454 0.4545454), wk = 0.0029070 k( 228) = ( 0.4610390 0.4610390 0.4610390), wk = 0.0029070 k( 229) = ( 0.4675325 0.4675325 0.4675325), wk = 0.0029070 k( 230) = ( 0.4740260 0.4740260 0.4740260), wk = 0.0029070 k( 231) = ( 0.4805195 0.4805195 0.4805195), wk = 0.0029070 k( 232) = ( 0.4870130 0.4870130 0.4870130), wk = 0.0029070 k( 233) = ( 0.4935065 0.4935065 0.4935065), wk = 0.0029070 k( 234) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029070 k( 235) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029070 k( 236) = ( 0.4920635 0.5000000 0.4920635), wk = 0.0029070 k( 237) = ( 0.4841270 0.5000000 0.4841270), wk = 0.0029070 k( 238) = ( 0.4761905 0.5000000 0.4761905), wk = 0.0029070 k( 239) = ( 0.4682540 0.5000000 0.4682540), wk = 0.0029070 k( 240) = ( 0.4603175 0.5000000 0.4603175), wk = 0.0029070 k( 241) = ( 0.4523810 0.5000000 0.4523809), wk = 0.0029070 k( 242) = ( 0.4444444 0.5000000 0.4444444), wk = 0.0029070 k( 243) = ( 0.4365079 0.5000000 0.4365079), wk = 0.0029070 k( 244) = ( 0.4285714 0.5000000 0.4285714), wk = 0.0029070 k( 245) = ( 0.4206349 0.5000000 0.4206349), wk = 0.0029070 k( 246) = ( 0.4126984 0.5000000 0.4126984), wk = 0.0029070 k( 247) = ( 0.4047619 0.5000000 0.4047619), wk = 0.0029070 k( 248) = ( 0.3968254 0.5000000 0.3968254), wk = 0.0029070 k( 249) = ( 0.3888889 0.5000000 0.3888889), wk = 0.0029070 k( 250) = ( 0.3809524 0.5000000 0.3809524), wk = 0.0029070 k( 251) = ( 0.3730159 0.5000000 0.3730159), wk = 0.0029070 k( 252) = ( 0.3650794 0.5000000 0.3650794), wk = 0.0029070 k( 253) = ( 0.3571429 0.5000000 0.3571429), wk = 0.0029070 k( 254) = ( 0.3492063 0.5000000 0.3492063), wk = 0.0029070 k( 255) = ( 0.3412698 0.5000000 0.3412698), wk = 0.0029070 k( 256) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0029070 k( 257) = ( 0.3253968 0.5000000 0.3253968), wk = 0.0029070 k( 258) = ( 0.3174603 0.5000000 0.3174603), wk = 0.0029070 k( 259) = ( 0.3095238 0.5000000 0.3095238), wk = 0.0029070 k( 260) = ( 0.3015873 0.5000000 0.3015873), wk = 0.0029070 k( 261) = ( 0.2936508 0.5000000 0.2936508), wk = 0.0029070 k( 262) = ( 0.2857143 0.5000000 0.2857143), wk = 0.0029070 k( 263) = ( 0.2777778 0.5000000 0.2777778), wk = 0.0029070 k( 264) = ( 0.2698413 0.5000000 0.2698413), wk = 0.0029070 k( 265) = ( 0.2619048 0.5000000 0.2619048), wk = 0.0029070 k( 266) = ( 0.2539683 0.5000000 0.2539682), wk = 0.0029070 k( 267) = ( 0.2460317 0.5000000 0.2460317), wk = 0.0029070 k( 268) = ( 0.2380952 0.5000000 0.2380952), wk = 0.0029070 k( 269) = ( 0.2301587 0.5000000 0.2301587), wk = 0.0029070 k( 270) = ( 0.2222222 0.5000000 0.2222222), wk = 0.0029070 k( 271) = ( 0.2142857 0.5000000 0.2142857), wk = 0.0029070 k( 272) = ( 0.2063492 0.5000000 0.2063492), wk = 0.0029070 k( 273) = ( 0.1984127 0.5000000 0.1984127), wk = 0.0029070 k( 274) = ( 0.1904762 0.5000000 0.1904762), wk = 0.0029070 k( 275) = ( 0.1825397 0.5000000 0.1825397), wk = 0.0029070 k( 276) = ( 0.1746032 0.5000000 0.1746032), wk = 0.0029070 k( 277) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0029070 k( 278) = ( 0.1587302 0.5000000 0.1587302), wk = 0.0029070 k( 279) = ( 0.1507937 0.5000000 0.1507936), wk = 0.0029070 k( 280) = ( 0.1428571 0.5000000 0.1428571), wk = 0.0029070 k( 281) = ( 0.1349206 0.5000000 0.1349206), wk = 0.0029070 k( 282) = ( 0.1269841 0.5000000 0.1269841), wk = 0.0029070 k( 283) = ( 0.1190476 0.5000000 0.1190476), wk = 0.0029070 k( 284) = ( 0.1111111 0.5000000 0.1111111), wk = 0.0029070 k( 285) = ( 0.1031746 0.5000000 0.1031746), wk = 0.0029070 k( 286) = ( 0.0952381 0.5000000 0.0952381), wk = 0.0029070 k( 287) = ( 0.0873016 0.5000000 0.0873016), wk = 0.0029070 k( 288) = ( 0.0793651 0.5000000 0.0793651), wk = 0.0029070 k( 289) = ( 0.0714286 0.5000000 0.0714286), wk = 0.0029070 k( 290) = ( 0.0634921 0.5000000 0.0634921), wk = 0.0029070 k( 291) = ( 0.0555556 0.5000000 0.0555556), wk = 0.0029070 k( 292) = ( 0.0476191 0.5000000 0.0476190), wk = 0.0029070 k( 293) = ( 0.0396825 0.5000000 0.0396825), wk = 0.0029070 k( 294) = ( 0.0317460 0.5000000 0.0317460), wk = 0.0029070 k( 295) = ( 0.0238095 0.5000000 0.0238095), wk = 0.0029070 k( 296) = ( 0.0158730 0.5000000 0.0158730), wk = 0.0029070 k( 297) = ( 0.0079365 0.5000000 0.0079365), wk = 0.0029070 k( 298) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029070 k( 299) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029070 k( 300) = ( 0.5000000 0.5000000 0.0111111), wk = 0.0029070 k( 301) = ( 0.5000000 0.5000000 0.0222222), wk = 0.0029070 k( 302) = ( 0.5000000 0.5000000 0.0333333), wk = 0.0029070 k( 303) = ( 0.5000000 0.5000000 0.0444444), wk = 0.0029070 k( 304) = ( 0.5000000 0.5000000 0.0555556), wk = 0.0029070 k( 305) = ( 0.5000000 0.5000000 0.0666667), wk = 0.0029070 k( 306) = ( 0.5000000 0.5000000 0.0777778), wk = 0.0029070 k( 307) = ( 0.5000000 0.5000000 0.0888889), wk = 0.0029070 k( 308) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0029070 k( 309) = ( 0.5000000 0.5000000 0.1111111), wk = 0.0029070 k( 310) = ( 0.5000000 0.5000000 0.1222222), wk = 0.0029070 k( 311) = ( 0.5000000 0.5000000 0.1333333), wk = 0.0029070 k( 312) = ( 0.5000000 0.5000000 0.1444444), wk = 0.0029070 k( 313) = ( 0.5000000 0.5000000 0.1555556), wk = 0.0029070 k( 314) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0029070 k( 315) = ( 0.5000000 0.5000000 0.1777778), wk = 0.0029070 k( 316) = ( 0.5000000 0.5000000 0.1888889), wk = 0.0029070 k( 317) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0029070 k( 318) = ( 0.5000000 0.5000000 0.2111111), wk = 0.0029070 k( 319) = ( 0.5000000 0.5000000 0.2222222), wk = 0.0029070 k( 320) = ( 0.5000000 0.5000000 0.2333333), wk = 0.0029070 k( 321) = ( 0.5000000 0.5000000 0.2444444), wk = 0.0029070 k( 322) = ( 0.5000000 0.5000000 0.2555556), wk = 0.0029070 k( 323) = ( 0.5000000 0.5000000 0.2666667), wk = 0.0029070 k( 324) = ( 0.5000000 0.5000000 0.2777778), wk = 0.0029070 k( 325) = ( 0.5000000 0.5000000 0.2888889), wk = 0.0029070 k( 326) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0029070 k( 327) = ( 0.5000000 0.5000000 0.3111111), wk = 0.0029070 k( 328) = ( 0.5000000 0.5000000 0.3222222), wk = 0.0029070 k( 329) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0029070 k( 330) = ( 0.5000000 0.5000000 0.3444444), wk = 0.0029070 k( 331) = ( 0.5000000 0.5000000 0.3555556), wk = 0.0029070 k( 332) = ( 0.5000000 0.5000000 0.3666667), wk = 0.0029070 k( 333) = ( 0.5000000 0.5000000 0.3777778), wk = 0.0029070 k( 334) = ( 0.5000000 0.5000000 0.3888889), wk = 0.0029070 k( 335) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0029070 k( 336) = ( 0.5000000 0.5000000 0.4111111), wk = 0.0029070 k( 337) = ( 0.5000000 0.5000000 0.4222222), wk = 0.0029070 k( 338) = ( 0.5000000 0.5000000 0.4333333), wk = 0.0029070 k( 339) = ( 0.5000000 0.5000000 0.4444444), wk = 0.0029070 k( 340) = ( 0.5000000 0.5000000 0.4555556), wk = 0.0029070 k( 341) = ( 0.5000000 0.5000000 0.4666667), wk = 0.0029070 k( 342) = ( 0.5000000 0.5000000 0.4777778), wk = 0.0029070 k( 343) = ( 0.5000000 0.5000000 0.4888889), wk = 0.0029070 k( 344) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029070 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029070 k( 2) = ( 0.0000000 0.0111111 0.0000000), wk = 0.0029070 k( 3) = ( 0.0000000 0.0222222 0.0000000), wk = 0.0029070 k( 4) = ( 0.0000000 0.0333333 0.0000000), wk = 0.0029070 k( 5) = ( 0.0000000 0.0444444 0.0000000), wk = 0.0029070 k( 6) = ( 0.0000000 0.0555556 0.0000000), wk = 0.0029070 k( 7) = ( 0.0000000 0.0666667 0.0000000), wk = 0.0029070 k( 8) = ( 0.0000000 0.0777778 0.0000000), wk = 0.0029070 k( 9) = ( 0.0000000 0.0888889 0.0000000), wk = 0.0029070 k( 10) = ( 0.0000000 0.1000000 0.0000000), wk = 0.0029070 k( 11) = ( 0.0000000 0.1111111 0.0000000), wk = 0.0029070 k( 12) = ( 0.0000000 0.1222222 0.0000000), wk = 0.0029070 k( 13) = ( 0.0000000 0.1333333 0.0000000), wk = 0.0029070 k( 14) = ( 0.0000000 0.1444444 0.0000000), wk = 0.0029070 k( 15) = ( 0.0000000 0.1555556 0.0000000), wk = 0.0029070 k( 16) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0029070 k( 17) = ( 0.0000000 0.1777778 0.0000000), wk = 0.0029070 k( 18) = ( 0.0000000 0.1888889 0.0000000), wk = 0.0029070 k( 19) = ( 0.0000000 0.2000000 0.0000000), wk = 0.0029070 k( 20) = ( 0.0000000 0.2111111 0.0000000), wk = 0.0029070 k( 21) = ( 0.0000000 0.2222222 0.0000000), wk = 0.0029070 k( 22) = ( 0.0000000 0.2333333 0.0000000), wk = 0.0029070 k( 23) = ( 0.0000000 0.2444444 0.0000000), wk = 0.0029070 k( 24) = ( 0.0000000 0.2555556 0.0000000), wk = 0.0029070 k( 25) = ( 0.0000000 0.2666667 0.0000000), wk = 0.0029070 k( 26) = ( 0.0000000 0.2777778 0.0000000), wk = 0.0029070 k( 27) = ( 0.0000000 0.2888889 0.0000000), wk = 0.0029070 k( 28) = ( 0.0000000 0.3000000 0.0000000), wk = 0.0029070 k( 29) = ( 0.0000000 0.3111111 0.0000000), wk = 0.0029070 k( 30) = ( 0.0000000 0.3222222 0.0000000), wk = 0.0029070 k( 31) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0029070 k( 32) = ( 0.0000000 0.3444444 0.0000000), wk = 0.0029070 k( 33) = ( 0.0000000 0.3555556 0.0000000), wk = 0.0029070 k( 34) = ( 0.0000000 0.3666667 0.0000000), wk = 0.0029070 k( 35) = ( 0.0000000 0.3777778 0.0000000), wk = 0.0029070 k( 36) = ( 0.0000000 0.3888889 0.0000000), wk = 0.0029070 k( 37) = ( 0.0000000 0.4000000 0.0000000), wk = 0.0029070 k( 38) = ( 0.0000000 0.4111111 0.0000000), wk = 0.0029070 k( 39) = ( 0.0000000 0.4222222 0.0000000), wk = 0.0029070 k( 40) = ( 0.0000000 0.4333333 0.0000000), wk = 0.0029070 k( 41) = ( 0.0000000 0.4444444 0.0000000), wk = 0.0029070 k( 42) = ( 0.0000000 0.4555556 0.0000000), wk = 0.0029070 k( 43) = ( 0.0000000 0.4666667 0.0000000), wk = 0.0029070 k( 44) = ( 0.0000000 0.4777778 0.0000000), wk = 0.0029070 k( 45) = ( 0.0000000 0.4888889 0.0000000), wk = 0.0029070 k( 46) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0029070 k( 47) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0029070 k( 48) = ( 0.0111111 0.5000000 0.0000000), wk = 0.0029070 k( 49) = ( 0.0222222 0.5000000 0.0000000), wk = 0.0029070 k( 50) = ( 0.0333333 0.5000000 0.0000000), wk = 0.0029070 k( 51) = ( 0.0444444 0.5000000 0.0000000), wk = 0.0029070 k( 52) = ( 0.0555556 0.5000000 0.0000000), wk = 0.0029070 k( 53) = ( 0.0666667 0.5000000 0.0000000), wk = 0.0029070 k( 54) = ( 0.0777778 0.5000000 0.0000000), wk = 0.0029070 k( 55) = ( 0.0888889 0.5000000 0.0000000), wk = 0.0029070 k( 56) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0029070 k( 57) = ( 0.1111111 0.5000000 0.0000000), wk = 0.0029070 k( 58) = ( 0.1222222 0.5000000 0.0000000), wk = 0.0029070 k( 59) = ( 0.1333333 0.5000000 0.0000000), wk = 0.0029070 k( 60) = ( 0.1444444 0.5000000 0.0000000), wk = 0.0029070 k( 61) = ( 0.1555556 0.5000000 0.0000000), wk = 0.0029070 k( 62) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0029070 k( 63) = ( 0.1777778 0.5000000 0.0000000), wk = 0.0029070 k( 64) = ( 0.1888889 0.5000000 0.0000000), wk = 0.0029070 k( 65) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0029070 k( 66) = ( 0.2111111 0.5000000 0.0000000), wk = 0.0029070 k( 67) = ( 0.2222222 0.5000000 0.0000000), wk = 0.0029070 k( 68) = ( 0.2333333 0.5000000 0.0000000), wk = 0.0029070 k( 69) = ( 0.2444444 0.5000000 0.0000000), wk = 0.0029070 k( 70) = ( 0.2555556 0.5000000 0.0000000), wk = 0.0029070 k( 71) = ( 0.2666667 0.5000000 0.0000000), wk = 0.0029070 k( 72) = ( 0.2777778 0.5000000 0.0000000), wk = 0.0029070 k( 73) = ( 0.2888889 0.5000000 -0.0000000), wk = 0.0029070 k( 74) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0029070 k( 75) = ( 0.3111111 0.5000000 0.0000000), wk = 0.0029070 k( 76) = ( 0.3222222 0.5000000 0.0000000), wk = 0.0029070 k( 77) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0029070 k( 78) = ( 0.3444444 0.5000000 0.0000000), wk = 0.0029070 k( 79) = ( 0.3555556 0.5000000 0.0000000), wk = 0.0029070 k( 80) = ( 0.3666667 0.5000000 0.0000000), wk = 0.0029070 k( 81) = ( 0.3777778 0.5000000 0.0000000), wk = 0.0029070 k( 82) = ( 0.3888889 0.5000000 0.0000000), wk = 0.0029070 k( 83) = ( 0.4000000 0.5000000 0.0000000), wk = 0.0029070 k( 84) = ( 0.4111111 0.5000000 0.0000000), wk = 0.0029070 k( 85) = ( 0.4222222 0.5000000 0.0000000), wk = 0.0029070 k( 86) = ( 0.4333333 0.5000000 -0.0000000), wk = 0.0029070 k( 87) = ( 0.4444444 0.5000000 0.0000000), wk = 0.0029070 k( 88) = ( 0.4555556 0.5000000 0.0000000), wk = 0.0029070 k( 89) = ( 0.4666667 0.5000000 0.0000000), wk = 0.0029070 k( 90) = ( 0.4777778 0.5000000 0.0000000), wk = 0.0029070 k( 91) = ( 0.4888889 0.5000000 0.0000000), wk = 0.0029070 k( 92) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0029070 k( 93) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0029070 k( 94) = ( 0.4920635 0.4920635 0.0000000), wk = 0.0029070 k( 95) = ( 0.4841270 0.4841270 0.0000000), wk = 0.0029070 k( 96) = ( 0.4761905 0.4761905 0.0000000), wk = 0.0029070 k( 97) = ( 0.4682540 0.4682540 0.0000000), wk = 0.0029070 k( 98) = ( 0.4603175 0.4603175 0.0000000), wk = 0.0029070 k( 99) = ( 0.4523810 0.4523810 0.0000000), wk = 0.0029070 k( 100) = ( 0.4444444 0.4444444 0.0000000), wk = 0.0029070 k( 101) = ( 0.4365079 0.4365079 0.0000000), wk = 0.0029070 k( 102) = ( 0.4285714 0.4285714 0.0000000), wk = 0.0029070 k( 103) = ( 0.4206349 0.4206349 0.0000000), wk = 0.0029070 k( 104) = ( 0.4126984 0.4126984 0.0000000), wk = 0.0029070 k( 105) = ( 0.4047619 0.4047619 0.0000000), wk = 0.0029070 k( 106) = ( 0.3968254 0.3968254 0.0000000), wk = 0.0029070 k( 107) = ( 0.3888889 0.3888889 0.0000000), wk = 0.0029070 k( 108) = ( 0.3809524 0.3809524 0.0000000), wk = 0.0029070 k( 109) = ( 0.3730159 0.3730159 0.0000000), wk = 0.0029070 k( 110) = ( 0.3650794 0.3650794 0.0000000), wk = 0.0029070 k( 111) = ( 0.3571429 0.3571429 0.0000000), wk = 0.0029070 k( 112) = ( 0.3492063 0.3492063 0.0000000), wk = 0.0029070 k( 113) = ( 0.3412698 0.3412698 0.0000000), wk = 0.0029070 k( 114) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0029070 k( 115) = ( 0.3253968 0.3253968 0.0000000), wk = 0.0029070 k( 116) = ( 0.3174603 0.3174603 0.0000000), wk = 0.0029070 k( 117) = ( 0.3095238 0.3095238 0.0000000), wk = 0.0029070 k( 118) = ( 0.3015873 0.3015873 0.0000000), wk = 0.0029070 k( 119) = ( 0.2936508 0.2936508 0.0000000), wk = 0.0029070 k( 120) = ( 0.2857143 0.2857143 0.0000000), wk = 0.0029070 k( 121) = ( 0.2777778 0.2777778 0.0000000), wk = 0.0029070 k( 122) = ( 0.2698413 0.2698413 0.0000000), wk = 0.0029070 k( 123) = ( 0.2619048 0.2619048 0.0000000), wk = 0.0029070 k( 124) = ( 0.2539683 0.2539683 0.0000000), wk = 0.0029070 k( 125) = ( 0.2460317 0.2460317 0.0000000), wk = 0.0029070 k( 126) = ( 0.2380952 0.2380952 0.0000000), wk = 0.0029070 k( 127) = ( 0.2301587 0.2301587 0.0000000), wk = 0.0029070 k( 128) = ( 0.2222222 0.2222222 0.0000000), wk = 0.0029070 k( 129) = ( 0.2142857 0.2142857 0.0000000), wk = 0.0029070 k( 130) = ( 0.2063492 0.2063492 0.0000000), wk = 0.0029070 k( 131) = ( 0.1984127 0.1984127 0.0000000), wk = 0.0029070 k( 132) = ( 0.1904762 0.1904762 0.0000000), wk = 0.0029070 k( 133) = ( 0.1825397 0.1825397 0.0000000), wk = 0.0029070 k( 134) = ( 0.1746032 0.1746032 0.0000000), wk = 0.0029070 k( 135) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0029070 k( 136) = ( 0.1587302 0.1587302 0.0000000), wk = 0.0029070 k( 137) = ( 0.1507937 0.1507937 0.0000000), wk = 0.0029070 k( 138) = ( 0.1428571 0.1428571 0.0000000), wk = 0.0029070 k( 139) = ( 0.1349206 0.1349206 0.0000000), wk = 0.0029070 k( 140) = ( 0.1269841 0.1269841 0.0000000), wk = 0.0029070 k( 141) = ( 0.1190476 0.1190476 0.0000000), wk = 0.0029070 k( 142) = ( 0.1111111 0.1111111 0.0000000), wk = 0.0029070 k( 143) = ( 0.1031746 0.1031746 0.0000000), wk = 0.0029070 k( 144) = ( 0.0952381 0.0952381 0.0000000), wk = 0.0029070 k( 145) = ( 0.0873016 0.0873016 0.0000000), wk = 0.0029070 k( 146) = ( 0.0793651 0.0793651 0.0000000), wk = 0.0029070 k( 147) = ( 0.0714286 0.0714286 0.0000000), wk = 0.0029070 k( 148) = ( 0.0634921 0.0634921 0.0000000), wk = 0.0029070 k( 149) = ( 0.0555556 0.0555556 0.0000000), wk = 0.0029070 k( 150) = ( 0.0476191 0.0476191 0.0000000), wk = 0.0029070 k( 151) = ( 0.0396825 0.0396825 0.0000000), wk = 0.0029070 k( 152) = ( 0.0317460 0.0317460 0.0000000), wk = 0.0029070 k( 153) = ( 0.0238095 0.0238095 0.0000000), wk = 0.0029070 k( 154) = ( 0.0158730 0.0158730 0.0000000), wk = 0.0029070 k( 155) = ( 0.0079365 0.0079365 0.0000000), wk = 0.0029070 k( 156) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029070 k( 157) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029070 k( 158) = ( 0.0064935 0.0064935 0.0064935), wk = 0.0029070 k( 159) = ( 0.0129870 0.0129870 0.0129870), wk = 0.0029070 k( 160) = ( 0.0194805 0.0194805 0.0194805), wk = 0.0029070 k( 161) = ( 0.0259740 0.0259740 0.0259740), wk = 0.0029070 k( 162) = ( 0.0324675 0.0324675 0.0324675), wk = 0.0029070 k( 163) = ( 0.0389610 0.0389610 0.0389610), wk = 0.0029070 k( 164) = ( 0.0454546 0.0454546 0.0454546), wk = 0.0029070 k( 165) = ( 0.0519481 0.0519481 0.0519481), wk = 0.0029070 k( 166) = ( 0.0584416 0.0584416 0.0584416), wk = 0.0029070 k( 167) = ( 0.0649351 0.0649351 0.0649351), wk = 0.0029070 k( 168) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0029070 k( 169) = ( 0.0779221 0.0779221 0.0779221), wk = 0.0029070 k( 170) = ( 0.0844156 0.0844156 0.0844156), wk = 0.0029070 k( 171) = ( 0.0909091 0.0909091 0.0909091), wk = 0.0029070 k( 172) = ( 0.0974026 0.0974026 0.0974026), wk = 0.0029070 k( 173) = ( 0.1038961 0.1038961 0.1038961), wk = 0.0029070 k( 174) = ( 0.1103896 0.1103896 0.1103896), wk = 0.0029070 k( 175) = ( 0.1168831 0.1168831 0.1168831), wk = 0.0029070 k( 176) = ( 0.1233766 0.1233766 0.1233766), wk = 0.0029070 k( 177) = ( 0.1298701 0.1298701 0.1298701), wk = 0.0029070 k( 178) = ( 0.1363636 0.1363636 0.1363636), wk = 0.0029070 k( 179) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0029070 k( 180) = ( 0.1493507 0.1493507 0.1493507), wk = 0.0029070 k( 181) = ( 0.1558442 0.1558442 0.1558442), wk = 0.0029070 k( 182) = ( 0.1623377 0.1623377 0.1623377), wk = 0.0029070 k( 183) = ( 0.1688312 0.1688312 0.1688312), wk = 0.0029070 k( 184) = ( 0.1753247 0.1753247 0.1753247), wk = 0.0029070 k( 185) = ( 0.1818182 0.1818182 0.1818182), wk = 0.0029070 k( 186) = ( 0.1883117 0.1883117 0.1883117), wk = 0.0029070 k( 187) = ( 0.1948052 0.1948052 0.1948052), wk = 0.0029070 k( 188) = ( 0.2012987 0.2012987 0.2012987), wk = 0.0029070 k( 189) = ( 0.2077922 0.2077922 0.2077922), wk = 0.0029070 k( 190) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0029070 k( 191) = ( 0.2207792 0.2207792 0.2207792), wk = 0.0029070 k( 192) = ( 0.2272727 0.2272727 0.2272727), wk = 0.0029070 k( 193) = ( 0.2337662 0.2337662 0.2337662), wk = 0.0029070 k( 194) = ( 0.2402597 0.2402597 0.2402597), wk = 0.0029070 k( 195) = ( 0.2467533 0.2467533 0.2467533), wk = 0.0029070 k( 196) = ( 0.2532468 0.2532468 0.2532468), wk = 0.0029070 k( 197) = ( 0.2597403 0.2597403 0.2597403), wk = 0.0029070 k( 198) = ( 0.2662338 0.2662338 0.2662338), wk = 0.0029070 k( 199) = ( 0.2727273 0.2727273 0.2727273), wk = 0.0029070 k( 200) = ( 0.2792208 0.2792208 0.2792208), wk = 0.0029070 k( 201) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0029070 k( 202) = ( 0.2922078 0.2922078 0.2922078), wk = 0.0029070 k( 203) = ( 0.2987013 0.2987013 0.2987013), wk = 0.0029070 k( 204) = ( 0.3051948 0.3051948 0.3051948), wk = 0.0029070 k( 205) = ( 0.3116883 0.3116883 0.3116883), wk = 0.0029070 k( 206) = ( 0.3181818 0.3181818 0.3181818), wk = 0.0029070 k( 207) = ( 0.3246753 0.3246753 0.3246753), wk = 0.0029070 k( 208) = ( 0.3311688 0.3311688 0.3311688), wk = 0.0029070 k( 209) = ( 0.3376623 0.3376623 0.3376623), wk = 0.0029070 k( 210) = ( 0.3441558 0.3441558 0.3441558), wk = 0.0029070 k( 211) = ( 0.3506494 0.3506494 0.3506494), wk = 0.0029070 k( 212) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0029070 k( 213) = ( 0.3636364 0.3636364 0.3636364), wk = 0.0029070 k( 214) = ( 0.3701299 0.3701299 0.3701299), wk = 0.0029070 k( 215) = ( 0.3766234 0.3766234 0.3766234), wk = 0.0029070 k( 216) = ( 0.3831169 0.3831169 0.3831169), wk = 0.0029070 k( 217) = ( 0.3896104 0.3896104 0.3896104), wk = 0.0029070 k( 218) = ( 0.3961039 0.3961039 0.3961039), wk = 0.0029070 k( 219) = ( 0.4025974 0.4025974 0.4025974), wk = 0.0029070 k( 220) = ( 0.4090909 0.4090909 0.4090909), wk = 0.0029070 k( 221) = ( 0.4155844 0.4155844 0.4155844), wk = 0.0029070 k( 222) = ( 0.4220779 0.4220779 0.4220779), wk = 0.0029070 k( 223) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0029070 k( 224) = ( 0.4350649 0.4350649 0.4350649), wk = 0.0029070 k( 225) = ( 0.4415584 0.4415584 0.4415584), wk = 0.0029070 k( 226) = ( 0.4480519 0.4480519 0.4480519), wk = 0.0029070 k( 227) = ( 0.4545455 0.4545455 0.4545455), wk = 0.0029070 k( 228) = ( 0.4610390 0.4610390 0.4610390), wk = 0.0029070 k( 229) = ( 0.4675325 0.4675325 0.4675325), wk = 0.0029070 k( 230) = ( 0.4740260 0.4740260 0.4740260), wk = 0.0029070 k( 231) = ( 0.4805195 0.4805195 0.4805195), wk = 0.0029070 k( 232) = ( 0.4870130 0.4870130 0.4870130), wk = 0.0029070 k( 233) = ( 0.4935065 0.4935065 0.4935065), wk = 0.0029070 k( 234) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029070 k( 235) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029070 k( 236) = ( 0.4920635 0.5000000 0.4920635), wk = 0.0029070 k( 237) = ( 0.4841270 0.5000000 0.4841270), wk = 0.0029070 k( 238) = ( 0.4761905 0.5000000 0.4761905), wk = 0.0029070 k( 239) = ( 0.4682540 0.5000000 0.4682540), wk = 0.0029070 k( 240) = ( 0.4603175 0.5000000 0.4603175), wk = 0.0029070 k( 241) = ( 0.4523810 0.5000000 0.4523810), wk = 0.0029070 k( 242) = ( 0.4444444 0.5000000 0.4444444), wk = 0.0029070 k( 243) = ( 0.4365079 0.5000000 0.4365079), wk = 0.0029070 k( 244) = ( 0.4285714 0.5000000 0.4285714), wk = 0.0029070 k( 245) = ( 0.4206349 0.5000000 0.4206349), wk = 0.0029070 k( 246) = ( 0.4126984 0.5000000 0.4126984), wk = 0.0029070 k( 247) = ( 0.4047619 0.5000000 0.4047619), wk = 0.0029070 k( 248) = ( 0.3968254 0.5000000 0.3968254), wk = 0.0029070 k( 249) = ( 0.3888889 0.5000000 0.3888889), wk = 0.0029070 k( 250) = ( 0.3809524 0.5000000 0.3809524), wk = 0.0029070 k( 251) = ( 0.3730159 0.5000000 0.3730159), wk = 0.0029070 k( 252) = ( 0.3650794 0.5000000 0.3650794), wk = 0.0029070 k( 253) = ( 0.3571429 0.5000000 0.3571429), wk = 0.0029070 k( 254) = ( 0.3492063 0.5000000 0.3492063), wk = 0.0029070 k( 255) = ( 0.3412698 0.5000000 0.3412698), wk = 0.0029070 k( 256) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0029070 k( 257) = ( 0.3253968 0.5000000 0.3253968), wk = 0.0029070 k( 258) = ( 0.3174603 0.5000000 0.3174603), wk = 0.0029070 k( 259) = ( 0.3095238 0.5000000 0.3095238), wk = 0.0029070 k( 260) = ( 0.3015873 0.5000000 0.3015873), wk = 0.0029070 k( 261) = ( 0.2936508 0.5000000 0.2936508), wk = 0.0029070 k( 262) = ( 0.2857143 0.5000000 0.2857143), wk = 0.0029070 k( 263) = ( 0.2777778 0.5000000 0.2777778), wk = 0.0029070 k( 264) = ( 0.2698413 0.5000000 0.2698413), wk = 0.0029070 k( 265) = ( 0.2619048 0.5000000 0.2619048), wk = 0.0029070 k( 266) = ( 0.2539683 0.5000000 0.2539683), wk = 0.0029070 k( 267) = ( 0.2460317 0.5000000 0.2460317), wk = 0.0029070 k( 268) = ( 0.2380952 0.5000000 0.2380952), wk = 0.0029070 k( 269) = ( 0.2301587 0.5000000 0.2301587), wk = 0.0029070 k( 270) = ( 0.2222222 0.5000000 0.2222222), wk = 0.0029070 k( 271) = ( 0.2142857 0.5000000 0.2142857), wk = 0.0029070 k( 272) = ( 0.2063492 0.5000000 0.2063492), wk = 0.0029070 k( 273) = ( 0.1984127 0.5000000 0.1984127), wk = 0.0029070 k( 274) = ( 0.1904762 0.5000000 0.1904762), wk = 0.0029070 k( 275) = ( 0.1825397 0.5000000 0.1825397), wk = 0.0029070 k( 276) = ( 0.1746032 0.5000000 0.1746032), wk = 0.0029070 k( 277) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0029070 k( 278) = ( 0.1587302 0.5000000 0.1587302), wk = 0.0029070 k( 279) = ( 0.1507937 0.5000000 0.1507937), wk = 0.0029070 k( 280) = ( 0.1428571 0.5000000 0.1428571), wk = 0.0029070 k( 281) = ( 0.1349206 0.5000000 0.1349206), wk = 0.0029070 k( 282) = ( 0.1269841 0.5000000 0.1269841), wk = 0.0029070 k( 283) = ( 0.1190476 0.5000000 0.1190476), wk = 0.0029070 k( 284) = ( 0.1111111 0.5000000 0.1111111), wk = 0.0029070 k( 285) = ( 0.1031746 0.5000000 0.1031746), wk = 0.0029070 k( 286) = ( 0.0952381 0.5000000 0.0952381), wk = 0.0029070 k( 287) = ( 0.0873016 0.5000000 0.0873016), wk = 0.0029070 k( 288) = ( 0.0793651 0.5000000 0.0793651), wk = 0.0029070 k( 289) = ( 0.0714286 0.5000000 0.0714286), wk = 0.0029070 k( 290) = ( 0.0634921 0.5000000 0.0634921), wk = 0.0029070 k( 291) = ( 0.0555556 0.5000000 0.0555556), wk = 0.0029070 k( 292) = ( 0.0476191 0.5000000 0.0476191), wk = 0.0029070 k( 293) = ( 0.0396825 0.5000000 0.0396825), wk = 0.0029070 k( 294) = ( 0.0317460 0.5000000 0.0317460), wk = 0.0029070 k( 295) = ( 0.0238095 0.5000000 0.0238095), wk = 0.0029070 k( 296) = ( 0.0158730 0.5000000 0.0158730), wk = 0.0029070 k( 297) = ( 0.0079365 0.5000000 0.0079365), wk = 0.0029070 k( 298) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0029070 k( 299) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0029070 k( 300) = ( 0.5000000 0.5000000 0.0111111), wk = 0.0029070 k( 301) = ( 0.5000000 0.5000000 0.0222222), wk = 0.0029070 k( 302) = ( 0.5000000 0.5000000 0.0333333), wk = 0.0029070 k( 303) = ( 0.5000000 0.5000000 0.0444444), wk = 0.0029070 k( 304) = ( 0.5000000 0.5000000 0.0555556), wk = 0.0029070 k( 305) = ( 0.5000000 0.5000000 0.0666667), wk = 0.0029070 k( 306) = ( 0.5000000 0.5000000 0.0777778), wk = 0.0029070 k( 307) = ( 0.5000000 0.5000000 0.0888889), wk = 0.0029070 k( 308) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0029070 k( 309) = ( 0.5000000 0.5000000 0.1111111), wk = 0.0029070 k( 310) = ( 0.5000000 0.5000000 0.1222222), wk = 0.0029070 k( 311) = ( 0.5000000 0.5000000 0.1333333), wk = 0.0029070 k( 312) = ( 0.5000000 0.5000000 0.1444444), wk = 0.0029070 k( 313) = ( 0.5000000 0.5000000 0.1555556), wk = 0.0029070 k( 314) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0029070 k( 315) = ( 0.5000000 0.5000000 0.1777778), wk = 0.0029070 k( 316) = ( 0.5000000 0.5000000 0.1888889), wk = 0.0029070 k( 317) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0029070 k( 318) = ( 0.5000000 0.5000000 0.2111111), wk = 0.0029070 k( 319) = ( 0.5000000 0.5000000 0.2222222), wk = 0.0029070 k( 320) = ( 0.5000000 0.5000000 0.2333333), wk = 0.0029070 k( 321) = ( 0.5000000 0.5000000 0.2444444), wk = 0.0029070 k( 322) = ( 0.5000000 0.5000000 0.2555556), wk = 0.0029070 k( 323) = ( 0.5000000 0.5000000 0.2666667), wk = 0.0029070 k( 324) = ( 0.5000000 0.5000000 0.2777778), wk = 0.0029070 k( 325) = ( 0.5000000 0.5000000 0.2888889), wk = 0.0029070 k( 326) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0029070 k( 327) = ( 0.5000000 0.5000000 0.3111111), wk = 0.0029070 k( 328) = ( 0.5000000 0.5000000 0.3222222), wk = 0.0029070 k( 329) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0029070 k( 330) = ( 0.5000000 0.5000000 0.3444444), wk = 0.0029070 k( 331) = ( 0.5000000 0.5000000 0.3555556), wk = 0.0029070 k( 332) = ( 0.5000000 0.5000000 0.3666667), wk = 0.0029070 k( 333) = ( 0.5000000 0.5000000 0.3777778), wk = 0.0029070 k( 334) = ( 0.5000000 0.5000000 0.3888889), wk = 0.0029070 k( 335) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0029070 k( 336) = ( 0.5000000 0.5000000 0.4111111), wk = 0.0029070 k( 337) = ( 0.5000000 0.5000000 0.4222222), wk = 0.0029070 k( 338) = ( 0.5000000 0.5000000 0.4333333), wk = 0.0029070 k( 339) = ( 0.5000000 0.5000000 0.4444444), wk = 0.0029070 k( 340) = ( 0.5000000 0.5000000 0.4555556), wk = 0.0029070 k( 341) = ( 0.5000000 0.5000000 0.4666667), wk = 0.0029070 k( 342) = ( 0.5000000 0.5000000 0.4777778), wk = 0.0029070 k( 343) = ( 0.5000000 0.5000000 0.4888889), wk = 0.0029070 k( 344) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029070 Dense grid: 44713 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 11075 G-vectors FFT dimensions: ( 27, 27, 27) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.04 Mb ( 82, 30) NL pseudopotentials 0.04 Mb ( 41, 68) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1242) G-vector shells 0.00 Mb ( 299) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.15 Mb ( 82, 120) Each subspace H/S matrix 0.01 Mb ( 30, 30) Each matrix 0.06 Mb ( 68, 2, 30) The potential is recalculated from file : ./YAu.save/charge-density.dat Starting wfc are 44 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.1 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 2.8 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 3.2 secs Computing kpt #: 10 total cpu time spent up to now is 3.3 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 3.7 secs Computing kpt #: 14 total cpu time spent up to now is 3.8 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 4.1 secs Computing kpt #: 17 total cpu time spent up to now is 4.2 secs Computing kpt #: 18 total cpu time spent up to now is 4.4 secs Computing kpt #: 19 total cpu time spent up to now is 4.5 secs Computing kpt #: 20 total cpu time spent up to now is 4.7 secs Computing kpt #: 21 total cpu time spent up to now is 4.8 secs Computing kpt #: 22 total cpu time spent up to now is 5.0 secs Computing kpt #: 23 total cpu time spent up to now is 5.2 secs Computing kpt #: 24 total cpu time spent up to now is 5.3 secs Computing kpt #: 25 total cpu time spent up to now is 5.5 secs Computing kpt #: 26 total cpu time spent up to now is 5.7 secs Computing kpt #: 27 total cpu time spent up to now is 5.8 secs Computing kpt #: 28 total cpu time spent up to now is 5.9 secs Computing kpt #: 29 total cpu time spent up to now is 6.1 secs Computing kpt #: 30 total cpu time spent up to now is 6.2 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 6.5 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 7.1 secs Computing kpt #: 38 total cpu time spent up to now is 7.2 secs Computing kpt #: 39 total cpu time spent up to now is 7.3 secs Computing kpt #: 40 total cpu time spent up to now is 7.4 secs Computing kpt #: 41 total cpu time spent up to now is 7.6 secs Computing kpt #: 42 total cpu time spent up to now is 7.7 secs Computing kpt #: 43 total cpu time spent up to now is 7.8 secs Computing kpt #: 44 total cpu time spent up to now is 7.9 secs Computing kpt #: 45 total cpu time spent up to now is 8.0 secs Computing kpt #: 46 total cpu time spent up to now is 8.1 secs Computing kpt #: 47 total cpu time spent up to now is 8.2 secs Computing kpt #: 48 total cpu time spent up to now is 8.3 secs Computing kpt #: 49 total cpu time spent up to now is 8.4 secs Computing kpt #: 50 total cpu time spent up to now is 8.5 secs Computing kpt #: 51 total cpu time spent up to now is 8.6 secs Computing kpt #: 52 total cpu time spent up to now is 8.7 secs Computing kpt #: 53 total cpu time spent up to now is 8.8 secs Computing kpt #: 54 total cpu time spent up to now is 8.9 secs Computing kpt #: 55 total cpu time spent up to now is 9.1 secs Computing kpt #: 56 total cpu time spent up to now is 9.2 secs Computing kpt #: 57 total cpu time spent up to now is 9.3 secs Computing kpt #: 58 total cpu time spent up to now is 9.4 secs Computing kpt #: 59 total cpu time spent up to now is 9.5 secs Computing kpt #: 60 total cpu time spent up to now is 9.6 secs Computing kpt #: 61 total cpu time spent up to now is 9.7 secs Computing kpt #: 62 total cpu time spent up to now is 9.9 secs Computing kpt #: 63 total cpu time spent up to now is 10.0 secs Computing kpt #: 64 total cpu time spent up to now is 10.1 secs Computing kpt #: 65 total cpu time spent up to now is 10.3 secs Computing kpt #: 66 total cpu time spent up to now is 10.4 secs Computing kpt #: 67 total cpu time spent up to now is 10.5 secs Computing kpt #: 68 total cpu time spent up to now is 10.6 secs Computing kpt #: 69 total cpu time spent up to now is 10.7 secs Computing kpt #: 70 total cpu time spent up to now is 10.9 secs Computing kpt #: 71 total cpu time spent up to now is 11.0 secs Computing kpt #: 72 total cpu time spent up to now is 11.1 secs Computing kpt #: 73 total cpu time spent up to now is 11.2 secs Computing kpt #: 74 total cpu time spent up to now is 11.3 secs Computing kpt #: 75 total cpu time spent up to now is 11.4 secs Computing kpt #: 76 total cpu time spent up to now is 11.6 secs Computing kpt #: 77 total cpu time spent up to now is 11.7 secs Computing kpt #: 78 total cpu time spent up to now is 11.8 secs Computing kpt #: 79 total cpu time spent up to now is 11.9 secs Computing kpt #: 80 total cpu time spent up to now is 12.0 secs Computing kpt #: 81 total cpu time spent up to now is 12.2 secs Computing kpt #: 82 total cpu time spent up to now is 12.3 secs Computing kpt #: 83 total cpu time spent up to now is 12.4 secs Computing kpt #: 84 total cpu time spent up to now is 12.5 secs Computing kpt #: 85 total cpu time spent up to now is 12.6 secs Computing kpt #: 86 total cpu time spent up to now is 12.7 secs Computing kpt #: 87 total cpu time spent up to now is 12.8 secs Computing kpt #: 88 total cpu time spent up to now is 13.0 secs Computing kpt #: 89 total cpu time spent up to now is 13.1 secs Computing kpt #: 90 total cpu time spent up to now is 13.2 secs Computing kpt #: 91 total cpu time spent up to now is 13.3 secs Computing kpt #: 92 total cpu time spent up to now is 13.4 secs Computing kpt #: 93 total cpu time spent up to now is 13.5 secs Computing kpt #: 94 total cpu time spent up to now is 13.6 secs Computing kpt #: 95 total cpu time spent up to now is 13.7 secs Computing kpt #: 96 total cpu time spent up to now is 13.8 secs Computing kpt #: 97 total cpu time spent up to now is 13.9 secs Computing kpt #: 98 total cpu time spent up to now is 14.0 secs Computing kpt #: 99 total cpu time spent up to now is 14.2 secs Computing kpt #: 100 total cpu time spent up to now is 14.3 secs Computing kpt #: 101 total cpu time spent up to now is 14.4 secs Computing kpt #: 102 total cpu time spent up to now is 14.5 secs Computing kpt #: 103 total cpu time spent up to now is 14.6 secs Computing kpt #: 104 total cpu time spent up to now is 14.8 secs Computing kpt #: 105 total cpu time spent up to now is 14.9 secs Computing kpt #: 106 total cpu time spent up to now is 15.0 secs Computing kpt #: 107 total cpu time spent up to now is 15.1 secs Computing kpt #: 108 total cpu time spent up to now is 15.2 secs Computing kpt #: 109 total cpu time spent up to now is 15.4 secs Computing kpt #: 110 total cpu time spent up to now is 15.5 secs Computing kpt #: 111 total cpu time spent up to now is 15.6 secs Computing kpt #: 112 total cpu time spent up to now is 15.7 secs Computing kpt #: 113 total cpu time spent up to now is 15.9 secs Computing kpt #: 114 total cpu time spent up to now is 16.0 secs Computing kpt #: 115 total cpu time spent up to now is 16.1 secs Computing kpt #: 116 total cpu time spent up to now is 16.2 secs Computing kpt #: 117 total cpu time spent up to now is 16.3 secs Computing kpt #: 118 total cpu time spent up to now is 16.5 secs Computing kpt #: 119 total cpu time spent up to now is 16.6 secs Computing kpt #: 120 total cpu time spent up to now is 16.7 secs Computing kpt #: 121 total cpu time spent up to now is 16.8 secs Computing kpt #: 122 total cpu time spent up to now is 16.9 secs Computing kpt #: 123 total cpu time spent up to now is 17.1 secs Computing kpt #: 124 total cpu time spent up to now is 17.2 secs Computing kpt #: 125 total cpu time spent up to now is 17.3 secs Computing kpt #: 126 total cpu time spent up to now is 17.4 secs Computing kpt #: 127 total cpu time spent up to now is 17.5 secs Computing kpt #: 128 total cpu time spent up to now is 17.7 secs Computing kpt #: 129 total cpu time spent up to now is 17.8 secs Computing kpt #: 130 total cpu time spent up to now is 17.9 secs Computing kpt #: 131 total cpu time spent up to now is 18.0 secs Computing kpt #: 132 total cpu time spent up to now is 18.1 secs Computing kpt #: 133 total cpu time spent up to now is 18.3 secs Computing kpt #: 134 total cpu time spent up to now is 18.4 secs Computing kpt #: 135 total cpu time spent up to now is 18.5 secs Computing kpt #: 136 total cpu time spent up to now is 18.6 secs Computing kpt #: 137 total cpu time spent up to now is 18.7 secs Computing kpt #: 138 total cpu time spent up to now is 18.8 secs Computing kpt #: 139 total cpu time spent up to now is 19.0 secs Computing kpt #: 140 total cpu time spent up to now is 19.1 secs Computing kpt #: 141 total cpu time spent up to now is 19.2 secs Computing kpt #: 142 total cpu time spent up to now is 19.3 secs Computing kpt #: 143 total cpu time spent up to now is 19.5 secs Computing kpt #: 144 total cpu time spent up to now is 19.6 secs Computing kpt #: 145 total cpu time spent up to now is 19.7 secs Computing kpt #: 146 total cpu time spent up to now is 19.8 secs Computing kpt #: 147 total cpu time spent up to now is 20.0 secs Computing kpt #: 148 total cpu time spent up to now is 20.1 secs Computing kpt #: 149 total cpu time spent up to now is 20.2 secs Computing kpt #: 150 total cpu time spent up to now is 20.3 secs Computing kpt #: 151 total cpu time spent up to now is 20.5 secs Computing kpt #: 152 total cpu time spent up to now is 20.6 secs Computing kpt #: 153 total cpu time spent up to now is 20.7 secs Computing kpt #: 154 total cpu time spent up to now is 20.9 secs Computing kpt #: 155 total cpu time spent up to now is 21.0 secs Computing kpt #: 156 total cpu time spent up to now is 21.1 secs Computing kpt #: 157 total cpu time spent up to now is 21.3 secs Computing kpt #: 158 total cpu time spent up to now is 21.4 secs Computing kpt #: 159 total cpu time spent up to now is 21.6 secs Computing kpt #: 160 total cpu time spent up to now is 21.7 secs Computing kpt #: 161 total cpu time spent up to now is 21.8 secs Computing kpt #: 162 total cpu time spent up to now is 21.9 secs Computing kpt #: 163 total cpu time spent up to now is 22.1 secs Computing kpt #: 164 total cpu time spent up to now is 22.2 secs Computing kpt #: 165 total cpu time spent up to now is 22.3 secs Computing kpt #: 166 total cpu time spent up to now is 22.5 secs Computing kpt #: 167 total cpu time spent up to now is 22.6 secs Computing kpt #: 168 total cpu time spent up to now is 22.7 secs Computing kpt #: 169 total cpu time spent up to now is 22.8 secs Computing kpt #: 170 total cpu time spent up to now is 23.0 secs Computing kpt #: 171 total cpu time spent up to now is 23.1 secs Computing kpt #: 172 total cpu time spent up to now is 23.2 secs Computing kpt #: 173 total cpu time spent up to now is 23.3 secs Computing kpt #: 174 total cpu time spent up to now is 23.5 secs Computing kpt #: 175 total cpu time spent up to now is 23.6 secs Computing kpt #: 176 total cpu time spent up to now is 23.7 secs Computing kpt #: 177 total cpu time spent up to now is 23.8 secs Computing kpt #: 178 total cpu time spent up to now is 23.9 secs Computing kpt #: 179 total cpu time spent up to now is 24.1 secs Computing kpt #: 180 total cpu time spent up to now is 24.2 secs Computing kpt #: 181 total cpu time spent up to now is 24.3 secs Computing kpt #: 182 total cpu time spent up to now is 24.4 secs Computing kpt #: 183 total cpu time spent up to now is 24.5 secs Computing kpt #: 184 total cpu time spent up to now is 24.6 secs Computing kpt #: 185 total cpu time spent up to now is 24.8 secs Computing kpt #: 186 total cpu time spent up to now is 24.9 secs Computing kpt #: 187 total cpu time spent up to now is 25.0 secs Computing kpt #: 188 total cpu time spent up to now is 25.1 secs Computing kpt #: 189 total cpu time spent up to now is 25.2 secs Computing kpt #: 190 total cpu time spent up to now is 25.3 secs Computing kpt #: 191 total cpu time spent up to now is 25.5 secs Computing kpt #: 192 total cpu time spent up to now is 25.6 secs Computing kpt #: 193 total cpu time spent up to now is 25.7 secs Computing kpt #: 194 total cpu time spent up to now is 25.8 secs Computing kpt #: 195 total cpu time spent up to now is 25.9 secs Computing kpt #: 196 total cpu time spent up to now is 26.0 secs Computing kpt #: 197 total cpu time spent up to now is 26.2 secs Computing kpt #: 198 total cpu time spent up to now is 26.3 secs Computing kpt #: 199 total cpu time spent up to now is 26.4 secs Computing kpt #: 200 total cpu time spent up to now is 26.5 secs Computing kpt #: 201 total cpu time spent up to now is 26.6 secs Computing kpt #: 202 total cpu time spent up to now is 26.8 secs Computing kpt #: 203 total cpu time spent up to now is 26.9 secs Computing kpt #: 204 total cpu time spent up to now is 27.0 secs Computing kpt #: 205 total cpu time spent up to now is 27.2 secs Computing kpt #: 206 total cpu time spent up to now is 27.3 secs Computing kpt #: 207 total cpu time spent up to now is 27.4 secs Computing kpt #: 208 total cpu time spent up to now is 27.6 secs Computing kpt #: 209 total cpu time spent up to now is 27.7 secs Computing kpt #: 210 total cpu time spent up to now is 27.8 secs Computing kpt #: 211 total cpu time spent up to now is 28.0 secs Computing kpt #: 212 total cpu time spent up to now is 28.1 secs Computing kpt #: 213 total cpu time spent up to now is 28.2 secs Computing kpt #: 214 total cpu time spent up to now is 28.3 secs Computing kpt #: 215 total cpu time spent up to now is 28.5 secs Computing kpt #: 216 total cpu time spent up to now is 28.6 secs Computing kpt #: 217 total cpu time spent up to now is 28.7 secs Computing kpt #: 218 total cpu time spent up to now is 28.9 secs Computing kpt #: 219 total cpu time spent up to now is 29.0 secs Computing kpt #: 220 total cpu time spent up to now is 29.1 secs Computing kpt #: 221 total cpu time spent up to now is 29.3 secs Computing kpt #: 222 total cpu time spent up to now is 29.4 secs Computing kpt #: 223 total cpu time spent up to now is 29.5 secs Computing kpt #: 224 total cpu time spent up to now is 29.7 secs Computing kpt #: 225 total cpu time spent up to now is 29.8 secs Computing kpt #: 226 total cpu time spent up to now is 29.9 secs Computing kpt #: 227 total cpu time spent up to now is 30.1 secs Computing kpt #: 228 total cpu time spent up to now is 30.2 secs Computing kpt #: 229 total cpu time spent up to now is 30.3 secs Computing kpt #: 230 total cpu time spent up to now is 30.4 secs Computing kpt #: 231 total cpu time spent up to now is 30.6 secs Computing kpt #: 232 total cpu time spent up to now is 30.7 secs Computing kpt #: 233 total cpu time spent up to now is 30.8 secs Computing kpt #: 234 total cpu time spent up to now is 30.9 secs Computing kpt #: 235 total cpu time spent up to now is 31.0 secs Computing kpt #: 236 total cpu time spent up to now is 31.2 secs Computing kpt #: 237 total cpu time spent up to now is 31.3 secs Computing kpt #: 238 total cpu time spent up to now is 31.4 secs Computing kpt #: 239 total cpu time spent up to now is 31.6 secs Computing kpt #: 240 total cpu time spent up to now is 31.7 secs Computing kpt #: 241 total cpu time spent up to now is 31.8 secs Computing kpt #: 242 total cpu time spent up to now is 32.0 secs Computing kpt #: 243 total cpu time spent up to now is 32.1 secs Computing kpt #: 244 total cpu time spent up to now is 32.2 secs Computing kpt #: 245 total cpu time spent up to now is 32.4 secs Computing kpt #: 246 total cpu time spent up to now is 32.5 secs Computing kpt #: 247 total cpu time spent up to now is 32.6 secs Computing kpt #: 248 total cpu time spent up to now is 32.8 secs Computing kpt #: 249 total cpu time spent up to now is 32.9 secs Computing kpt #: 250 total cpu time spent up to now is 33.1 secs Computing kpt #: 251 total cpu time spent up to now is 33.2 secs Computing kpt #: 252 total cpu time spent up to now is 33.3 secs Computing kpt #: 253 total cpu time spent up to now is 33.5 secs Computing kpt #: 254 total cpu time spent up to now is 33.6 secs Computing kpt #: 255 total cpu time spent up to now is 33.7 secs Computing kpt #: 256 total cpu time spent up to now is 33.9 secs Computing kpt #: 257 total cpu time spent up to now is 34.0 secs Computing kpt #: 258 total cpu time spent up to now is 34.2 secs Computing kpt #: 259 total cpu time spent up to now is 34.3 secs Computing kpt #: 260 total cpu time spent up to now is 34.4 secs Computing kpt #: 261 total cpu time spent up to now is 34.6 secs Computing kpt #: 262 total cpu time spent up to now is 34.7 secs Computing kpt #: 263 total cpu time spent up to now is 34.9 secs Computing kpt #: 264 total cpu time spent up to now is 35.0 secs Computing kpt #: 265 total cpu time spent up to now is 35.2 secs Computing kpt #: 266 total cpu time spent up to now is 35.3 secs Computing kpt #: 267 total cpu time spent up to now is 35.5 secs Computing kpt #: 268 total cpu time spent up to now is 35.6 secs Computing kpt #: 269 total cpu time spent up to now is 35.7 secs Computing kpt #: 270 total cpu time spent up to now is 35.9 secs Computing kpt #: 271 total cpu time spent up to now is 36.0 secs Computing kpt #: 272 total cpu time spent up to now is 36.1 secs Computing kpt #: 273 total cpu time spent up to now is 36.2 secs Computing kpt #: 274 total cpu time spent up to now is 36.3 secs Computing kpt #: 275 total cpu time spent up to now is 36.5 secs Computing kpt #: 276 total cpu time spent up to now is 36.6 secs Computing kpt #: 277 total cpu time spent up to now is 36.7 secs Computing kpt #: 278 total cpu time spent up to now is 36.8 secs Computing kpt #: 279 total cpu time spent up to now is 36.9 secs Computing kpt #: 280 total cpu time spent up to now is 37.1 secs Computing kpt #: 281 total cpu time spent up to now is 37.2 secs Computing kpt #: 282 total cpu time spent up to now is 37.3 secs Computing kpt #: 283 total cpu time spent up to now is 37.4 secs Computing kpt #: 284 total cpu time spent up to now is 37.5 secs Computing kpt #: 285 total cpu time spent up to now is 37.6 secs Computing kpt #: 286 total cpu time spent up to now is 37.8 secs Computing kpt #: 287 total cpu time spent up to now is 37.9 secs Computing kpt #: 288 total cpu time spent up to now is 38.0 secs Computing kpt #: 289 total cpu time spent up to now is 38.1 secs Computing kpt #: 290 total cpu time spent up to now is 38.2 secs Computing kpt #: 291 total cpu time spent up to now is 38.3 secs Computing kpt #: 292 total cpu time spent up to now is 38.4 secs Computing kpt #: 293 total cpu time spent up to now is 38.6 secs Computing kpt #: 294 total cpu time spent up to now is 38.7 secs Computing kpt #: 295 total cpu time spent up to now is 38.8 secs Computing kpt #: 296 total cpu time spent up to now is 38.9 secs Computing kpt #: 297 total cpu time spent up to now is 39.0 secs Computing kpt #: 298 total cpu time spent up to now is 39.1 secs Computing kpt #: 299 total cpu time spent up to now is 39.2 secs Computing kpt #: 300 total cpu time spent up to now is 39.3 secs Computing kpt #: 301 total cpu time spent up to now is 39.4 secs Computing kpt #: 302 total cpu time spent up to now is 39.5 secs Computing kpt #: 303 total cpu time spent up to now is 39.6 secs Computing kpt #: 304 total cpu time spent up to now is 39.7 secs Computing kpt #: 305 total cpu time spent up to now is 39.8 secs Computing kpt #: 306 total cpu time spent up to now is 40.0 secs Computing kpt #: 307 total cpu time spent up to now is 40.1 secs Computing kpt #: 308 total cpu time spent up to now is 40.2 secs Computing kpt #: 309 total cpu time spent up to now is 40.4 secs Computing kpt #: 310 total cpu time spent up to now is 40.5 secs Computing kpt #: 311 total cpu time spent up to now is 40.6 secs Computing kpt #: 312 total cpu time spent up to now is 40.7 secs Computing kpt #: 313 total cpu time spent up to now is 40.9 secs Computing kpt #: 314 total cpu time spent up to now is 41.0 secs Computing kpt #: 315 total cpu time spent up to now is 41.2 secs Computing kpt #: 316 total cpu time spent up to now is 41.5 secs Computing kpt #: 317 total cpu time spent up to now is 41.8 secs Computing kpt #: 318 total cpu time spent up to now is 42.0 secs Computing kpt #: 319 total cpu time spent up to now is 42.3 secs Computing kpt #: 320 total cpu time spent up to now is 42.5 secs Computing kpt #: 321 total cpu time spent up to now is 42.7 secs Computing kpt #: 322 total cpu time spent up to now is 42.9 secs Computing kpt #: 323 total cpu time spent up to now is 43.1 secs Computing kpt #: 324 total cpu time spent up to now is 43.3 secs Computing kpt #: 325 total cpu time spent up to now is 43.4 secs Computing kpt #: 326 total cpu time spent up to now is 43.6 secs Computing kpt #: 327 total cpu time spent up to now is 43.7 secs Computing kpt #: 328 total cpu time spent up to now is 43.8 secs Computing kpt #: 329 total cpu time spent up to now is 44.0 secs Computing kpt #: 330 total cpu time spent up to now is 44.1 secs Computing kpt #: 331 total cpu time spent up to now is 44.2 secs Computing kpt #: 332 total cpu time spent up to now is 44.4 secs Computing kpt #: 333 total cpu time spent up to now is 44.5 secs Computing kpt #: 334 total cpu time spent up to now is 44.6 secs Computing kpt #: 335 total cpu time spent up to now is 44.7 secs Computing kpt #: 336 total cpu time spent up to now is 44.9 secs Computing kpt #: 337 total cpu time spent up to now is 45.0 secs Computing kpt #: 338 total cpu time spent up to now is 45.1 secs Computing kpt #: 339 total cpu time spent up to now is 45.3 secs Computing kpt #: 340 total cpu time spent up to now is 45.4 secs Computing kpt #: 341 total cpu time spent up to now is 45.5 secs Computing kpt #: 342 total cpu time spent up to now is 45.6 secs Computing kpt #: 343 total cpu time spent up to now is 45.8 secs Computing kpt #: 344 total cpu time spent up to now is 45.9 secs ethr = 4.55E-08, avg # of iterations = 14.2 total cpu time spent up to now is 45.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1365 PWs) bands (ev): -29.4545 -29.4545 -10.3125 -10.3125 -8.8542 -8.8542 -8.8542 -8.8542 5.9826 5.9826 7.4895 7.4895 7.4895 7.4895 9.0747 9.0747 9.0747 9.0747 9.6854 9.6854 14.4892 14.4892 14.4892 14.4892 17.9735 17.9735 17.9735 17.9735 18.1469 18.1469 k = 0.0000 0.0111-0.0000 ( 1365 PWs) bands (ev): -29.4544 -29.4544 -10.3127 -10.3127 -8.8545 -8.8545 -8.8541 -8.8541 5.9847 5.9847 7.4899 7.4899 7.4903 7.4903 9.0748 9.0748 9.0749 9.0749 9.6853 9.6853 14.4882 14.4882 14.4893 14.4893 17.9210 17.9210 17.9690 17.9690 18.1379 18.1379 k = 0.0000 0.0222-0.0000 ( 1361 PWs) bands (ev): -29.4543 -29.4543 -10.3130 -10.3130 -8.8555 -8.8555 -8.8541 -8.8541 5.9908 5.9908 7.4909 7.4909 7.4926 7.4926 9.0750 9.0750 9.0755 9.0755 9.6851 9.6851 14.4850 14.4850 14.4896 14.4896 17.8193 17.8193 17.9538 17.9538 18.1142 18.1142 k = 0.0000 0.0333-0.0000 ( 1361 PWs) bands (ev): -29.4542 -29.4542 -10.3136 -10.3136 -8.8571 -8.8571 -8.8539 -8.8539 6.0010 6.0010 7.4926 7.4926 7.4965 7.4965 9.0754 9.0754 9.0765 9.0765 9.6847 9.6847 14.4798 14.4798 14.4900 14.4900 17.7055 17.7055 17.9224 17.9224 18.0847 18.0847 k = 0.0000 0.0444-0.0000 ( 1361 PWs) bands (ev): -29.4540 -29.4540 -10.3144 -10.3144 -8.8593 -8.8593 -8.8537 -8.8537 6.0153 6.0153 7.4949 7.4949 7.5019 7.5019 9.0760 9.0760 9.0780 9.0780 9.6841 9.6841 14.4725 14.4725 14.4903 14.4903 17.5879 17.5879 17.8695 17.8695 18.0590 18.0590 k = 0.0000 0.0556-0.0000 ( 1361 PWs) bands (ev): -29.4537 -29.4537 -10.3154 -10.3154 -8.8621 -8.8621 -8.8535 -8.8535 6.0336 6.0336 7.4980 7.4980 7.5087 7.5087 9.0768 9.0768 9.0798 9.0798 9.6835 9.6835 14.4631 14.4631 14.4903 14.4903 17.4690 17.4690 17.7966 17.7966 18.0400 18.0400 k = 0.0000 0.0667-0.0000 ( 1362 PWs) bands (ev): -29.4533 -29.4533 -10.3167 -10.3167 -8.8655 -8.8655 -8.8532 -8.8532 6.0560 6.0560 7.5016 7.5016 7.5170 7.5170 9.0779 9.0779 9.0820 9.0820 9.6827 9.6827 14.4518 14.4518 14.4895 14.4895 17.3503 17.3503 17.7093 17.7093 18.0253 18.0253 k = 0.0000 0.0778-0.0000 ( 1370 PWs) bands (ev): -29.4530 -29.4530 -10.3181 -10.3181 -8.8695 -8.8695 -8.8528 -8.8528 6.0823 6.0823 7.5059 7.5059 7.5268 7.5268 9.0791 9.0791 9.0846 9.0846 9.6818 9.6818 14.4385 14.4385 14.4876 14.4876 17.2323 17.2323 17.6129 17.6129 18.0125 18.0125 k = 0.0000 0.0889-0.0000 ( 1370 PWs) bands (ev): -29.4525 -29.4525 -10.3198 -10.3198 -8.8740 -8.8740 -8.8524 -8.8524 6.1125 6.1125 7.5108 7.5108 7.5378 7.5378 9.0806 9.0806 9.0876 9.0876 9.6808 9.6808 14.4233 14.4233 14.4841 14.4841 17.1158 17.1158 17.5110 17.5110 18.0004 18.0004 k = 0.0000 0.1000-0.0000 ( 1370 PWs) bands (ev): -29.4520 -29.4520 -10.3217 -10.3217 -8.8791 -8.8791 -8.8519 -8.8519 6.1466 6.1466 7.5163 7.5163 7.5502 7.5502 9.0825 9.0825 9.0910 9.0910 9.6797 9.6797 14.4063 14.4063 14.4782 14.4782 17.0011 17.0011 17.4056 17.4056 17.9881 17.9881 k = 0.0000 0.1111-0.0000 ( 1370 PWs) bands (ev): -29.4515 -29.4515 -10.3238 -10.3238 -8.8846 -8.8846 -8.8514 -8.8514 6.1844 6.1844 7.5223 7.5223 7.5639 7.5639 9.0846 9.0846 9.0947 9.0947 9.6786 9.6786 14.3875 14.3875 14.4693 14.4693 16.8885 16.8885 17.2985 17.2985 17.9755 17.9755 k = 0.0000 0.1222-0.0000 ( 1370 PWs) bands (ev): -29.4509 -29.4509 -10.3262 -10.3262 -8.8905 -8.8905 -8.8509 -8.8509 6.2260 6.2260 7.5289 7.5289 7.5787 7.5787 9.0872 9.0872 9.0987 9.0987 9.6774 9.6774 14.3671 14.3671 14.4565 14.4565 16.7783 16.7783 17.1906 17.1906 17.9623 17.9623 k = 0.0000 0.1333-0.0000 ( 1370 PWs) bands (ev): -29.4502 -29.4502 -10.3287 -10.3287 -8.8969 -8.8969 -8.8503 -8.8503 6.2712 6.2712 7.5360 7.5360 7.5947 7.5947 9.0901 9.0901 9.1031 9.1031 9.6762 9.6762 14.3450 14.3450 14.4391 14.4391 16.6708 16.6708 17.0828 17.0828 17.9485 17.9485 k = 0.0000 0.1444-0.0000 ( 1374 PWs) bands (ev): -29.4495 -29.4495 -10.3314 -10.3314 -8.9036 -8.9036 -8.8497 -8.8497 6.3198 6.3198 7.5435 7.5435 7.6117 7.6117 9.0935 9.0935 9.1077 9.1077 9.6750 9.6750 14.3215 14.3215 14.4158 14.4158 16.5661 16.5661 16.9756 16.9756 17.9341 17.9341 k = 0.0000 0.1556-0.0000 ( 1382 PWs) bands (ev): -29.4488 -29.4488 -10.3343 -10.3343 -8.9106 -8.9106 -8.8490 -8.8490 6.3719 6.3719 7.5515 7.5515 7.6297 7.6297 9.0974 9.0974 9.1126 9.1126 9.6739 9.6739 14.2965 14.2965 14.3859 14.3859 16.4644 16.4644 16.8697 16.8697 17.9190 17.9190 k = 0.0000 0.1667-0.0000 ( 1382 PWs) bands (ev): -29.4481 -29.4481 -10.3373 -10.3373 -8.9179 -8.9179 -8.8483 -8.8483 6.4273 6.4273 7.5598 7.5598 7.6488 7.6488 9.1019 9.1019 9.1178 9.1178 9.6727 9.6727 14.2703 14.2703 14.3485 14.3485 16.3656 16.3656 16.7652 16.7652 17.9033 17.9033 k = 0.0000 0.1778-0.0000 ( 1374 PWs) bands (ev): -29.4472 -29.4472 -10.3405 -10.3405 -8.9255 -8.9255 -8.8476 -8.8476 6.4857 6.4857 7.5686 7.5686 7.6687 7.6687 9.1070 9.1070 9.1233 9.1233 9.6717 9.6717 14.2429 14.2429 14.3025 14.3025 16.2699 16.2699 16.6627 16.6627 17.8871 17.8871 k = 0.0000 0.1889-0.0000 ( 1374 PWs) bands (ev): -29.4464 -29.4464 -10.3439 -10.3439 -8.9332 -8.9332 -8.8469 -8.8469 6.5471 6.5471 7.5776 7.5776 7.6895 7.6895 9.1128 9.1128 9.1289 9.1289 9.6707 9.6707 14.2144 14.2144 14.2474 14.2474 16.1771 16.1771 16.5622 16.5622 17.8371 17.8704 k = 0.0000 0.2000-0.0000 ( 1386 PWs) bands (ev): -29.4456 -29.4456 -10.3474 -10.3474 -8.9411 -8.9411 -8.8461 -8.8461 6.6112 6.6112 7.5869 7.5869 7.7112 7.7112 9.1192 9.1192 9.1348 9.1348 9.6699 9.6699 14.1824 14.1824 14.1850 14.1850 16.0871 16.0871 16.4640 16.4640 17.7821 17.7821 k = 0.0000 0.2111-0.0000 ( 1390 PWs) bands (ev): -29.4447 -29.4447 -10.3510 -10.3510 -8.9491 -8.9491 -8.8453 -8.8453 6.6777 6.6777 7.5964 7.5964 7.7338 7.7338 9.1265 9.1265 9.1408 9.1408 9.6691 9.6691 14.1076 14.1076 14.1548 14.1548 15.9997 15.9997 16.3683 16.3683 17.7391 17.7391 k = 0.0000 0.2222-0.0000 ( 1390 PWs) bands (ev): -29.4438 -29.4438 -10.3548 -10.3548 -8.9572 -8.9572 -8.8445 -8.8445 6.7465 6.7465 7.6061 7.6061 7.7574 7.7574 9.1347 9.1347 9.1469 9.1469 9.6685 9.6685 14.0227 14.0227 14.1240 14.1240 15.9148 15.9148 16.2753 16.2753 17.7089 17.7089 k = 0.0000 0.2333-0.0000 ( 1398 PWs) bands (ev): -29.4430 -29.4430 -10.3586 -10.3586 -8.9653 -8.9653 -8.8437 -8.8437 6.8170 6.8170 7.6159 7.6159 7.7821 7.7821 9.1438 9.1438 9.1532 9.1532 9.6681 9.6681 13.9281 13.9281 14.0926 14.0926 15.8323 15.8323 16.1850 16.1850 17.6916 17.6916 k = 0.0000 0.2444-0.0000 ( 1406 PWs) bands (ev): -29.4421 -29.4421 -10.3625 -10.3625 -8.9733 -8.9733 -8.8429 -8.8429 6.8890 6.8890 7.6259 7.6259 7.8079 7.8079 9.1539 9.1539 9.1596 9.1596 9.6678 9.6678 13.8243 13.8243 14.0608 14.0608 15.7520 15.7520 16.0977 16.0977 17.6875 17.6875 k = 0.0000 0.2556-0.0000 ( 1402 PWs) bands (ev): -29.4412 -29.4412 -10.3665 -10.3665 -8.9813 -8.9813 -8.8421 -8.8421 6.9619 6.9619 7.6358 7.6358 7.8352 7.8352 9.1652 9.1652 9.1660 9.1660 9.6677 9.6677 13.7118 13.7118 14.0289 14.0289 15.6740 15.6740 16.0134 16.0134 17.6960 17.6960 k = 0.0000 0.2667-0.0000 ( 1402 PWs) bands (ev): -29.4403 -29.4403 -10.3705 -10.3705 -8.9892 -8.9892 -8.8413 -8.8413 7.0351 7.0351 7.6457 7.6457 7.8641 7.8641 9.1724 9.1724 9.1777 9.1777 9.6678 9.6678 13.5915 13.5915 13.9968 13.9968 15.5984 15.5984 15.9322 15.9322 17.7167 17.7466 k = 0.0000 0.2778-0.0000 ( 1402 PWs) bands (ev): -29.4394 -29.4394 -10.3745 -10.3745 -8.9969 -8.9969 -8.8405 -8.8405 7.1080 7.1080 7.6556 7.6556 7.8951 7.8951 9.1788 9.1788 9.1917 9.1917 9.6680 9.6680 13.4642 13.4642 13.9648 13.9648 15.5253 15.5253 15.8542 15.8542 17.7289 17.7289 k = 0.0000 0.2889-0.0000 ( 1402 PWs) bands (ev): -29.4385 -29.4385 -10.3785 -10.3785 -9.0045 -9.0045 -8.8397 -8.8397 7.1797 7.1797 7.6653 7.6653 7.9286 7.9286 9.1852 9.1852 9.2072 9.2072 9.6684 9.6684 13.3308 13.3308 13.9331 13.9331 15.4548 15.4548 15.7795 15.7795 17.7115 17.7115 k = 0.0000 0.3000-0.0000 ( 1410 PWs) bands (ev): -29.4377 -29.4377 -10.3825 -10.3825 -9.0118 -9.0118 -8.8389 -8.8389 7.2493 7.2493 7.6749 7.6749 7.9652 7.9652 9.1915 9.1915 9.2245 9.2245 9.6690 9.6690 13.1920 13.1920 13.9018 13.9018 15.3870 15.3870 15.7082 15.7082 17.6944 17.6944 k = 0.0000 0.3111-0.0000 ( 1402 PWs) bands (ev): -29.4368 -29.4368 -10.3865 -10.3865 -9.0189 -9.0189 -8.8381 -8.8381 7.3157 7.3157 7.6842 7.6842 8.0053 8.0053 9.1977 9.1977 9.2438 9.2438 9.6698 9.6698 13.0488 13.0488 13.8710 13.8710 15.3222 15.3222 15.6404 15.6404 17.6777 17.6777 k = 0.0000 0.3222-0.0000 ( 1402 PWs) bands (ev): -29.4360 -29.4360 -10.3904 -10.3904 -9.0258 -9.0258 -8.8374 -8.8374 7.3781 7.3781 7.6933 7.6933 8.0494 8.0494 9.2038 9.2038 9.2655 9.2655 9.6707 9.6707 12.9019 12.9019 13.8409 13.8409 15.2605 15.2605 15.5761 15.5761 17.6614 17.6614 k = 0.0000 0.3333-0.0000 ( 1414 PWs) bands (ev): -29.4352 -29.4352 -10.3942 -10.3942 -9.0323 -9.0323 -8.8366 -8.8366 7.4354 7.4354 7.7021 7.7021 8.0977 8.0977 9.2097 9.2097 9.2901 9.2901 9.6718 9.6718 12.7520 12.7520 13.8117 13.8117 15.2020 15.2020 15.5154 15.5154 17.6458 17.6458 k = 0.0000 0.3444-0.0000 ( 1402 PWs) bands (ev): -29.4344 -29.4344 -10.3978 -10.3978 -9.0385 -9.0385 -8.8359 -8.8359 7.4871 7.4871 7.7106 7.7106 8.1502 8.1502 9.2154 9.2154 9.3179 9.3179 9.6729 9.6729 12.6000 12.6000 13.7836 13.7836 15.1468 15.1468 15.4584 15.4584 17.6308 17.6308 k = 0.0000 0.3556-0.0000 ( 1402 PWs) bands (ev): -29.4336 -29.4336 -10.4014 -10.4014 -9.0444 -9.0444 -8.8353 -8.8353 7.5329 7.5329 7.7186 7.7186 8.2064 8.2064 9.2209 9.2209 9.3495 9.3495 9.6742 9.6742 12.4464 12.4464 13.7565 13.7565 15.0951 15.0951 15.4050 15.4050 17.6164 17.6164 k = 0.0000 0.3667-0.0000 ( 1406 PWs) bands (ev): -29.4330 -29.4330 -10.4047 -10.4047 -9.0499 -9.0499 -8.8346 -8.8346 7.5728 7.5728 7.7262 7.7262 8.2651 8.2651 9.2261 9.2261 9.3858 9.3858 9.6755 9.6755 12.2918 12.2918 13.7308 13.7308 15.0469 15.0469 15.3554 15.3554 17.6029 17.6029 k = 0.0000 0.3778-0.0000 ( 1398 PWs) bands (ev): -29.4323 -29.4323 -10.4079 -10.4079 -9.0551 -9.0551 -8.8341 -8.8341 7.6072 7.6072 7.7334 7.7334 8.3251 8.3251 9.2310 9.2310 9.4274 9.4274 9.6769 9.6769 12.1369 12.1369 13.7066 13.7066 15.0024 15.0024 15.3096 15.3096 17.5902 17.5902 k = 0.0000 0.3889-0.0000 ( 1398 PWs) bands (ev): -29.4317 -29.4317 -10.4109 -10.4109 -9.0598 -9.0598 -8.8335 -8.8335 7.6365 7.6365 7.7400 7.7400 8.3846 8.3846 9.2356 9.2356 9.4752 9.4752 9.6783 9.6783 11.9822 11.9822 13.6840 13.6840 14.9615 14.9615 15.2676 15.2676 17.5784 17.5784 k = 0.0000 0.4000-0.0000 ( 1398 PWs) bands (ev): -29.4311 -29.4311 -10.4137 -10.4137 -9.0641 -9.0641 -8.8330 -8.8330 7.6613 7.6613 7.7462 7.7462 8.4421 8.4421 9.2398 9.2398 9.5298 9.5298 9.6797 9.6797 11.8284 11.8284 13.6631 13.6631 14.9244 14.9244 15.2295 15.2295 17.5676 17.5676 k = 0.0000 0.4111-0.0000 ( 1398 PWs) bands (ev): -29.4306 -29.4306 -10.4163 -10.4163 -9.0681 -9.0681 -8.8325 -8.8325 7.6821 7.6821 7.7517 7.7517 8.4959 8.4959 9.2437 9.2437 9.5919 9.5919 9.6810 9.6810 11.6762 11.6762 13.6440 13.6440 14.8910 14.8910 15.1953 15.1953 17.5577 17.5577 k = 0.0000 0.4222-0.0000 ( 1406 PWs) bands (ev): -29.4302 -29.4302 -10.4185 -10.4185 -9.0715 -9.0715 -8.8321 -8.8321 7.6994 7.6994 7.7567 7.7567 8.5448 8.5448 9.2471 9.2471 9.6617 9.6617 9.6823 9.6823 11.5261 11.5261 13.6269 13.6269 14.8615 14.8615 15.1651 15.1651 17.5489 17.5489 k = 0.0000 0.4333-0.0000 ( 1414 PWs) bands (ev): -29.4298 -29.4298 -10.4206 -10.4206 -9.0746 -9.0746 -8.8318 -8.8318 7.7137 7.7137 7.7610 7.7610 8.5877 8.5877 9.2502 9.2502 9.6834 9.6834 9.7389 9.7389 11.3792 11.3792 13.6119 13.6119 14.8359 14.8359 15.1388 15.1388 17.5412 17.5412 k = 0.0000 0.4444-0.0000 ( 1414 PWs) bands (ev): -29.4295 -29.4295 -10.4223 -10.4223 -9.0771 -9.0771 -8.8315 -8.8315 7.7253 7.7253 7.7647 7.7647 8.6241 8.6241 9.2528 9.2528 9.6845 9.6845 9.8227 9.8227 11.2368 11.2368 13.5990 13.5990 14.8142 14.8142 15.1165 15.1165 17.5346 17.5346 k = 0.0000 0.4556-0.0000 ( 1414 PWs) bands (ev): -29.4292 -29.4292 -10.4237 -10.4237 -9.0792 -9.0792 -8.8312 -8.8312 7.7344 7.7344 7.7678 7.7678 8.6538 8.6538 9.2550 9.2550 9.6853 9.6853 9.9111 9.9111 11.1008 11.1008 13.5884 13.5884 14.7964 14.7964 15.0983 15.0983 17.5292 17.5292 k = 0.0000 0.4667-0.0000 ( 1414 PWs) bands (ev): -29.4290 -29.4290 -10.4248 -10.4248 -9.0809 -9.0809 -8.8310 -8.8310 7.7414 7.7414 7.7702 7.7702 8.6766 8.6766 9.2566 9.2566 9.6860 9.6860 10.0006 10.0006 10.9746 10.9746 13.5800 13.5800 14.7825 14.7825 15.0841 15.0841 17.5249 17.5249 k = 0.0000 0.4778-0.0000 ( 1414 PWs) bands (ev): -29.4288 -29.4288 -10.4257 -10.4257 -9.0821 -9.0821 -8.8309 -8.8309 7.7462 7.7462 7.7719 7.7719 8.6927 8.6927 9.2579 9.2579 9.6865 9.6865 10.0847 10.0847 10.8645 10.8645 13.5740 13.5740 14.7726 14.7726 15.0739 15.0739 17.5219 17.5219 k = 0.0000 0.4889-0.0000 ( 1406 PWs) bands (ev): -29.4287 -29.4287 -10.4261 -10.4261 -9.0828 -9.0828 -8.8308 -8.8308 7.7491 7.7491 7.7729 7.7729 8.7024 8.7024 9.2586 9.2586 9.6869 9.6869 10.1502 10.1502 10.7835 10.7835 13.5704 13.5704 14.7667 14.7667 15.0678 15.0678 17.5201 17.5201 k = 0.0000 0.5000-0.0000 ( 1406 PWs) bands (ev): -29.4287 -29.4287 -10.4263 -10.4263 -9.0830 -9.0830 -8.8308 -8.8308 7.7500 7.7500 7.7733 7.7733 8.7055 8.7055 9.2588 9.2588 9.6870 9.6870 10.1764 10.1764 10.7522 10.7522 13.5692 13.5692 14.7647 14.7647 15.0658 15.0658 17.5194 17.5194 k = 0.0000 0.5000-0.0000 ( 1406 PWs) bands (ev): -29.4287 -29.4287 -10.4263 -10.4263 -9.0830 -9.0830 -8.8308 -8.8308 7.7500 7.7500 7.7733 7.7733 8.7055 8.7055 9.2588 9.2588 9.6870 9.6870 10.1764 10.1764 10.7522 10.7522 13.5692 13.5692 14.7647 14.7647 15.0658 15.0658 17.5194 17.5194 k = 0.0111 0.5000-0.0000 ( 1408 PWs) bands (ev): -29.4287 -29.4287 -10.4263 -10.4263 -9.0831 -9.0831 -8.8309 -8.8309 7.7501 7.7501 7.7733 7.7733 8.7047 8.7047 9.2575 9.2575 9.6849 9.6849 10.1814 10.1814 10.7520 10.7520 13.5715 13.5715 14.7661 14.7661 15.0669 15.0669 17.5191 17.5191 k = 0.0222 0.5000-0.0000 ( 1412 PWs) bands (ev): -29.4286 -29.4286 -10.4265 -10.4265 -9.0832 -9.0832 -8.8315 -8.8315 7.7502 7.7502 7.7736 7.7736 8.7023 8.7023 9.2534 9.2534 9.6789 9.6789 10.1960 10.1960 10.7513 10.7513 13.5785 13.5785 14.7703 14.7703 15.0704 15.0704 17.5182 17.5182 k = 0.0333 0.5000-0.0000 ( 1412 PWs) bands (ev): -29.4284 -29.4284 -10.4267 -10.4267 -9.0834 -9.0834 -8.8324 -8.8324 7.7498 7.7498 7.7745 7.7745 8.6984 8.6984 9.2467 9.2467 9.6696 9.6696 10.2196 10.2196 10.7503 10.7503 13.5901 13.5901 14.7770 14.7770 15.0763 15.0763 17.5166 17.5166 k = 0.0444 0.5000-0.0000 ( 1412 PWs) bands (ev): -29.4282 -29.4282 -10.4271 -10.4271 -9.0836 -9.0836 -8.8337 -8.8337 7.7484 7.7484 7.7764 7.7764 8.6932 8.6932 9.2378 9.2378 9.6574 9.6574 10.2511 10.2511 10.7490 10.7490 13.6063 13.6063 14.7858 14.7858 15.0849 15.0849 17.5144 17.5144 k = 0.0556 0.5000-0.0000 ( 1412 PWs) bands (ev): -29.4280 -29.4280 -10.4275 -10.4275 -9.0840 -9.0840 -8.8353 -8.8353 7.7457 7.7457 7.7797 7.7797 8.6868 8.6868 9.2270 9.2270 9.6431 9.6431 10.2893 10.2893 10.7478 10.7478 13.6269 13.6269 14.7961 14.7961 15.0968 15.0968 17.5115 17.5115 k = 0.0667 0.5000-0.0000 ( 1412 PWs) bands (ev): -29.4277 -29.4277 -10.4280 -10.4280 -9.0844 -9.0844 -8.8373 -8.8373 7.7416 7.7416 7.7841 7.7841 8.6797 8.6797 9.2147 9.2147 9.6271 9.6271 10.3331 10.3331 10.7471 10.7471 13.6519 13.6519 14.8073 14.8073 15.1123 15.1123 17.5082 17.5082 k = 0.0778 0.5000-0.0000 ( 1408 PWs) bands (ev): -29.4273 -29.4273 -10.4286 -10.4286 -9.0850 -9.0850 -8.8395 -8.8395 7.7362 7.7362 7.7893 7.7893 8.6720 8.6720 9.2011 9.2011 9.6098 9.6098 10.3811 10.3811 10.7474 10.7474 13.6813 13.6813 14.8184 14.8184 15.1320 15.1320 17.5043 17.5043 k = 0.0889 0.5000-0.0000 ( 1406 PWs) bands (ev): -29.4269 -29.4269 -10.4293 -10.4293 -9.0856 -9.0856 -8.8420 -8.8420 7.7297 7.7297 7.7950 7.7950 8.6642 8.6642 9.1867 9.1867 9.5916 9.5916 10.4317 10.4317 10.7498 10.7498 13.7147 13.7147 14.8287 14.8287 15.1565 15.1565 17.4998 17.4998 k = 0.1000 0.5000-0.0000 ( 1410 PWs) bands (ev): -29.4265 -29.4265 -10.4301 -10.4301 -9.0864 -9.0864 -8.8447 -8.8447 7.7223 7.7223 7.8006 7.8006 8.6567 8.6567 9.1718 9.1718 9.5727 9.5727 10.4825 10.4825 10.7564 10.7564 13.7521 13.7521 14.8374 14.8374 15.1861 15.1861 17.4950 17.4950 k = 0.1111 0.5000-0.0000 ( 1402 PWs) bands (ev): -29.4259 -29.4259 -10.4310 -10.4310 -9.0873 -9.0873 -8.8476 -8.8476 7.7138 7.7138 7.8059 7.8059 8.6497 8.6497 9.1568 9.1568 9.5532 9.5532 10.5298 10.5298 10.7705 10.7705 13.7933 13.7933 14.8440 14.8440 15.2212 15.2212 17.4896 17.4896 k = 0.1222 0.5000-0.0000 ( 1406 PWs) bands (ev): -29.4254 -29.4254 -10.4321 -10.4321 -9.0884 -9.0884 -8.8507 -8.8507 7.7046 7.7046 7.8105 7.8105 8.6436 8.6436 9.1419 9.1419 9.5334 9.5334 10.5687 10.5687 10.7969 10.7969 13.8382 13.8382 14.8481 14.8481 15.2615 15.2615 17.4839 17.4839 k = 0.1333 0.5000-0.0000 ( 1406 PWs) bands (ev): -29.4248 -29.4248 -10.4331 -10.4331 -9.0896 -9.0896 -8.8539 -8.8539 7.6945 7.6945 7.8140 7.8140 8.6387 8.6387 9.1274 9.1274 9.5135 9.5135 10.5952 10.5952 10.8392 10.8392 13.8864 13.8864 14.8493 14.8493 15.3071 15.3071 17.4779 17.4779 k = 0.1444 0.5000-0.0000 ( 1402 PWs) bands (ev): -29.4242 -29.4242 -10.4343 -10.4343 -9.0910 -9.0910 -8.8572 -8.8572 7.6837 7.6837 7.8161 7.8161 8.6352 8.6352 9.1136 9.1136 9.4936 9.4936 10.6101 10.6101 10.8966 10.8966 13.9377 13.9377 14.8477 14.8477 15.3576 15.3576 17.4715 17.4715 k = 0.1556 0.5000-0.0000 ( 1402 PWs) bands (ev): -29.4235 -29.4235 -10.4356 -10.4356 -9.0925 -9.0925 -8.8605 -8.8605 7.6723 7.6723 7.8165 7.8165 8.6330 8.6330 9.1008 9.1008 9.4741 9.4741 10.6168 10.6168 10.9655 10.9655 13.9919 13.9919 14.8431 14.8431 15.4126 15.4126 17.4650 17.4650 k = 0.1667 0.5000-0.0000 ( 1402 PWs) bands (ev): -29.4228 -29.4228 -10.4370 -10.4370 -9.0943 -9.0943 -8.8638 -8.8638 7.6602 7.6602 7.8150 7.8150 8.6321 8.6321 9.0893 9.0893 9.4554 9.4554 10.6187 10.6187 11.0424 11.0424 14.0487 14.0487 14.8355 14.8355 15.4718 15.4718 17.4582 17.4582 k = 0.1778 0.5000-0.0000 ( 1402 PWs) bands (ev): -29.4221 -29.4221 -10.4384 -10.4384 -9.0962 -9.0962 -8.8670 -8.8670 7.6476 7.6476 7.8114 7.8114 8.6321 8.6321 9.0793 9.0793 9.4378 9.4378 10.6179 10.6179 11.1252 11.1252 14.1078 14.1078 14.8249 14.8249 15.5347 15.5347 17.4512 17.4512 k = 0.1889 0.5000-0.0000 ( 1394 PWs) bands (ev): -29.4214 -29.4214 -10.4400 -10.4400 -9.0984 -9.0984 -8.8702 -8.8702 7.6344 7.6344 7.8058 7.8058 8.6326 8.6326 9.0711 9.0711 9.4218 9.4218 10.6156 10.6156 11.2125 11.2125 14.1687 14.1687 14.8112 14.8112 15.6011 15.6011 17.4442 17.4442 k = 0.2000 0.5000-0.0000 ( 1394 PWs) bands (ev): -29.4206 -29.4206 -10.4416 -10.4416 -9.1008 -9.1008 -8.8733 -8.8733 7.6209 7.6209 7.7982 7.7982 8.6331 8.6331 9.0646 9.0646 9.4082 9.4082 10.6126 10.6126 11.3036 11.3036 14.2312 14.2312 14.7944 14.7944 15.6704 15.6704 17.4370 17.4370 k = 0.2111 0.5000-0.0000 ( 1390 PWs) bands (ev): -29.4198 -29.4198 -10.4433 -10.4433 -9.1033 -9.1033 -8.8762 -8.8762 7.6069 7.6069 7.7887 7.7887 8.6330 8.6330 9.0598 9.0598 9.3977 9.3977 10.6093 10.6093 11.3979 11.3979 14.2947 14.2947 14.7746 14.7746 15.7424 15.7424 17.4299 17.4299 k = 0.2222 0.5000-0.0000 ( 1394 PWs) bands (ev): -29.4190 -29.4190 -10.4450 -10.4450 -9.1061 -9.1061 -8.8790 -8.8790 7.5927 7.5927 7.7775 7.7775 8.6317 8.6317 9.0561 9.0561 9.3912 9.3912 10.6060 10.6060 11.4948 11.4948 14.3586 14.3586 14.7520 14.7520 15.8167 15.8167 17.4228 17.4228 k = 0.2333 0.5000-0.0000 ( 1394 PWs) bands (ev): -29.4182 -29.4182 -10.4469 -10.4469 -9.1090 -9.1090 -8.8816 -8.8816 7.5782 7.5782 7.7649 7.7649 8.6288 8.6288 9.0528 9.0528 9.3897 9.3897 10.6032 10.6032 11.5941 11.5941 14.4220 14.4220 14.7269 14.7269 15.8930 15.8930 17.4157 17.4157 k = 0.2444 0.5000-0.0000 ( 1390 PWs) bands (ev): -29.4174 -29.4174 -10.4487 -10.4487 -9.1121 -9.1121 -8.8840 -8.8840 7.5636 7.5636 7.7510 7.7510 8.6242 8.6242 9.0491 9.0491 9.3942 9.3942 10.6009 10.6009 11.6955 11.6955 14.4832 14.4832 14.7005 14.7005 15.9710 15.9710 17.4087 17.4087 k = 0.2556 0.5000-0.0000 ( 1390 PWs) bands (ev): -29.4166 -29.4166 -10.4506 -10.4506 -9.1153 -9.1153 -8.8862 -8.8862 7.5488 7.5488 7.7361 7.7361 8.6177 8.6177 9.0443 9.0443 9.4053 9.4053 10.5993 10.5993 11.7987 11.7987 14.5374 14.5374 14.6774 14.6774 16.0502 16.0502 17.4019 17.4019 k = 0.2667 0.5000-0.0000 ( 1394 PWs) bands (ev): -29.4158 -29.4158 -10.4526 -10.4526 -9.1187 -9.1187 -8.8882 -8.8882 7.5341 7.5341 7.7205 7.7205 8.6096 8.6096 9.0377 9.0377 9.4230 9.4230 10.5987 10.5987 11.9034 11.9034 14.5664 14.5664 14.6748 14.6748 16.1305 16.1305 17.3952 17.3952 k = 0.2778 0.5000-0.0000 ( 1398 PWs) bands (ev): -29.4150 -29.4150 -10.4546 -10.4546 -9.1222 -9.1222 -8.8899 -8.8899 7.5194 7.5194 7.7043 7.7043 8.5999 8.5999 9.0292 9.0292 9.4471 9.4471 10.5992 10.5992 12.0093 12.0093 14.5527 14.5527 14.7103 14.7103 16.2113 16.2113 17.3888 17.3888 k = 0.2889 0.5000-0.0000 ( 1396 PWs) bands (ev): -29.4142 -29.4142 -10.4566 -10.4566 -9.1258 -9.1258 -8.8915 -8.8915 7.5048 7.5048 7.6880 7.6880 8.5891 8.5891 9.0189 9.0189 9.4767 9.4767 10.6009 10.6009 12.1161 12.1161 14.5179 14.5179 14.7616 14.7616 16.2924 16.2924 17.3825 17.3825 k = 0.3000 0.5000-0.0000 ( 1392 PWs) bands (ev): -29.4134 -29.4134 -10.4586 -10.4586 -9.1294 -9.1294 -8.8929 -8.8929 7.4905 7.4905 7.6715 7.6715 8.5773 8.5773 9.0073 9.0073 9.5110 9.5110 10.6041 10.6041 12.2234 12.2234 14.4753 14.4753 14.8148 14.8148 16.3734 16.3734 17.3765 17.3765 k = 0.3111 0.5000-0.0000 ( 1400 PWs) bands (ev): -29.4126 -29.4126 -10.4606 -10.4606 -9.1330 -9.1330 -8.8940 -8.8940 7.4764 7.4764 7.6551 7.6551 8.5649 8.5649 8.9947 8.9947 9.5487 9.5487 10.6089 10.6089 12.3309 12.3309 14.4286 14.4286 14.8662 14.8662 16.4539 16.4539 17.3708 17.3708 k = 0.3222 0.5000-0.0000 ( 1400 PWs) bands (ev): -29.4119 -29.4119 -10.4626 -10.4626 -9.1366 -9.1366 -8.8950 -8.8950 7.4626 7.4626 7.6390 7.6390 8.5521 8.5521 8.9814 8.9814 9.5888 9.5888 10.6156 10.6156 12.4382 12.4382 14.3791 14.3791 14.9141 14.9141 16.5335 16.5335 17.3654 17.3654 k = 0.3333 0.5000-0.0000 ( 1400 PWs) bands (ev): -29.4112 -29.4112 -10.4646 -10.4646 -9.1401 -9.1401 -8.8959 -8.8959 7.4493 7.4493 7.6233 7.6233 8.5391 8.5391 8.9679 8.9679 9.6302 9.6302 10.6242 10.6242 12.5448 12.5448 14.3276 14.3276 14.9576 14.9576 16.6118 16.6118 17.3604 17.3604 k = 0.3444 0.5000-0.0000 ( 1396 PWs) bands (ev): -29.4105 -29.4105 -10.4665 -10.4665 -9.1436 -9.1436 -8.8966 -8.8966 7.4364 7.4364 7.6081 7.6081 8.5263 8.5263 8.9544 8.9544 9.6721 9.6721 10.6349 10.6349 12.6502 12.6502 14.2749 14.2749 14.9957 14.9957 16.6883 16.6883 17.3558 17.3558 k = 0.3556 0.5000-0.0000 ( 1404 PWs) bands (ev): -29.4098 -29.4098 -10.4683 -10.4683 -9.1469 -9.1469 -8.8971 -8.8971 7.4242 7.4242 7.5936 7.5936 8.5137 8.5137 8.9412 8.9412 9.7135 9.7135 10.6478 10.6478 12.7538 12.7538 14.2218 14.2218 15.0281 15.0281 16.7625 16.7625 17.3515 17.3515 k = 0.3667 0.5000-0.0000 ( 1404 PWs) bands (ev): -29.4092 -29.4092 -10.4701 -10.4701 -9.1501 -9.1501 -8.8976 -8.8976 7.4125 7.4125 7.5798 7.5798 8.5015 8.5015 8.9284 8.9284 9.7535 9.7535 10.6629 10.6629 12.8547 12.8547 14.1693 14.1693 15.0541 15.0541 16.8340 16.8340 17.3477 17.3477 k = 0.3778 0.5000-0.0000 ( 1400 PWs) bands (ev): -29.4086 -29.4086 -10.4718 -10.4718 -9.1532 -9.1532 -8.8979 -8.8979 7.4015 7.4015 7.5669 7.5669 8.4898 8.4898 8.9162 8.9162 9.7915 9.7915 10.6802 10.6802 12.9521 12.9521 14.1183 14.1183 15.0736 15.0736 16.9022 16.9022 17.3444 17.3444 k = 0.3889 0.5000-0.0000 ( 1400 PWs) bands (ev): -29.4081 -29.4081 -10.4734 -10.4734 -9.1561 -9.1561 -8.8982 -8.8982 7.3913 7.3913 7.5548 7.5548 8.4788 8.4788 8.9048 8.9048 9.8269 9.8269 10.6995 10.6995 13.0447 13.0447 14.0702 14.0702 15.0864 15.0864 16.9665 16.9665 17.3417 17.3417 k = 0.4000 0.5000-0.0000 ( 1396 PWs) bands (ev): -29.4075 -29.4075 -10.4749 -10.4749 -9.1587 -9.1587 -8.8984 -8.8984 7.3818 7.3818 7.5438 7.5438 8.4686 8.4686 8.8941 8.8941 9.8592 9.8592 10.7204 10.7204 13.1311 13.1311 14.0265 14.0265 15.0927 15.0927 17.0263 17.0263 17.3397 17.3397 k = 0.4111 0.5000-0.0000 ( 1396 PWs) bands (ev): -29.4071 -29.4071 -10.4762 -10.4762 -9.1611 -9.1611 -8.8986 -8.8986 7.3732 7.3732 7.5337 7.5337 8.4592 8.4592 8.8845 8.8845 9.8881 9.8881 10.7424 10.7424 13.2095 13.2095 13.9890 13.9890 15.0928 15.0928 17.0809 17.0809 17.3386 17.3386 k = 0.4222 0.5000-0.0000 ( 1396 PWs) bands (ev): -29.4067 -29.4067 -10.4775 -10.4775 -9.1633 -9.1633 -8.8986 -8.8986 7.3655 7.3655 7.5248 7.5248 8.4508 8.4508 8.8758 8.8758 9.9135 9.9135 10.7648 10.7648 13.2776 13.2776 13.9597 13.9597 15.0875 15.0875 17.1297 17.1297 17.3385 17.3385 k = 0.4333 0.5000-0.0000 ( 1394 PWs) bands (ev): -29.4063 -29.4063 -10.4786 -10.4786 -9.1653 -9.1653 -8.8987 -8.8987 7.3588 7.3588 7.5169 7.5169 8.4434 8.4434 8.8681 8.8681 9.9351 9.9351 10.7869 10.7869 13.3333 13.3333 13.9403 13.9403 15.0778 15.0778 17.1717 17.1717 17.3399 17.3399 k = 0.4444 0.5000-0.0000 ( 1394 PWs) bands (ev): -29.4060 -29.4060 -10.4795 -10.4795 -9.1669 -9.1669 -8.8987 -8.8987 7.3530 7.3530 7.5102 7.5102 8.4370 8.4370 8.8616 8.8616 9.9532 9.9532 10.8077 10.8077 13.3752 13.3752 13.9320 13.9320 15.0649 15.0649 17.2061 17.2061 17.3430 17.3430 k = 0.4556 0.5000-0.0000 ( 1386 PWs) bands (ev): -29.4057 -29.4057 -10.4803 -10.4803 -9.1683 -9.1683 -8.8988 -8.8988 7.3482 7.3482 7.5047 7.5047 8.4318 8.4318 8.8562 8.8562 9.9677 9.9677 10.8263 10.8263 13.4033 13.4033 13.9337 13.9337 15.0505 15.0505 17.2324 17.2324 17.3482 17.3482 k = 0.4667 0.5000-0.0000 ( 1378 PWs) bands (ev): -29.4055 -29.4055 -10.4809 -10.4809 -9.1693 -9.1693 -8.8988 -8.8988 7.3445 7.3445 7.5004 7.5004 8.4276 8.4276 8.8520 8.8520 9.9788 9.9788 10.8419 10.8419 13.4198 13.4198 13.9422 13.9422 15.0364 15.0364 17.2505 17.2505 17.3549 17.3549 k = 0.4778 0.5000-0.0000 ( 1372 PWs) bands (ev): -29.4054 -29.4054 -10.4813 -10.4813 -9.1701 -9.1701 -8.8988 -8.8988 7.3418 7.3418 7.4973 7.4973 8.4247 8.4247 8.8490 8.8490 9.9866 9.9866 10.8537 10.8537 13.4283 13.4283 13.9530 13.9530 15.0245 15.0245 17.2617 17.2617 17.3618 17.3618 k = 0.4889 0.5000-0.0000 ( 1372 PWs) bands (ev): -29.4053 -29.4053 -10.4816 -10.4816 -9.1706 -9.1706 -8.8988 -8.8988 7.3402 7.3402 7.4955 7.4955 8.4229 8.4229 8.8471 8.8471 9.9913 9.9913 10.8610 10.8610 13.4318 13.4318 13.9615 13.9615 15.0166 15.0166 17.2675 17.2675 17.3668 17.3668 k = 0.5000 0.5000-0.0000 ( 1372 PWs) bands (ev): -29.4052 -29.4052 -10.4817 -10.4817 -9.1707 -9.1707 -8.8988 -8.8988 7.3396 7.3396 7.4948 7.4948 8.4223 8.4223 8.8465 8.8465 9.9928 9.9928 10.8635 10.8635 13.4328 13.4328 13.9647 13.9647 15.0138 15.0138 17.2693 17.2693 17.3686 17.3686 k = 0.5000 0.5000-0.0000 ( 1372 PWs) bands (ev): -29.4052 -29.4052 -10.4817 -10.4817 -9.1707 -9.1707 -8.8988 -8.8988 7.3396 7.3396 7.4948 7.4948 8.4223 8.4223 8.8465 8.8465 9.9928 9.9928 10.8635 10.8635 13.4328 13.4328 13.9647 13.9647 15.0138 15.0138 17.2693 17.2693 17.3686 17.3686 k = 0.4921 0.4921-0.0000 ( 1372 PWs) bands (ev): -29.4053 -29.4053 -10.4816 -10.4816 -9.1706 -9.1706 -8.8988 -8.8988 7.3402 7.3402 7.4955 7.4955 8.4229 8.4229 8.8472 8.8472 9.9912 9.9912 10.8609 10.8609 13.4319 13.4319 13.9614 13.9614 15.0166 15.0166 17.2675 17.2675 17.3668 17.3668 k = 0.4841 0.4841-0.0000 ( 1372 PWs) bands (ev): -29.4054 -29.4054 -10.4813 -10.4813 -9.1701 -9.1701 -8.8988 -8.8988 7.3418 7.3418 7.4974 7.4974 8.4247 8.4247 8.8490 8.8490 9.9865 9.9865 10.8533 10.8533 13.4290 13.4290 13.9519 13.9519 15.0249 15.0249 17.2615 17.2615 17.3617 17.3617 k = 0.4762 0.4762-0.0000 ( 1382 PWs) bands (ev): -29.4055 -29.4055 -10.4809 -10.4809 -9.1693 -9.1693 -8.8988 -8.8988 7.3445 7.3445 7.5005 7.5005 8.4277 8.4277 8.8521 8.8521 9.9788 9.9788 10.8405 10.8405 13.4238 13.4238 13.9378 13.9378 15.0376 15.0376 17.2500 17.2500 17.3549 17.3549 k = 0.4683 0.4683-0.0000 ( 1386 PWs) bands (ev): -29.4057 -29.4057 -10.4802 -10.4802 -9.1682 -9.1682 -8.8988 -8.8988 7.3483 7.3483 7.5049 7.5049 8.4320 8.4320 8.8564 8.8564 9.9680 9.9680 10.8227 10.8227 13.4157 13.4157 13.9210 13.9210 15.0535 15.0535 17.2314 17.2314 17.3485 17.3485 k = 0.4603 0.4603-0.0000 ( 1392 PWs) bands (ev): -29.4060 -29.4060 -10.4794 -10.4794 -9.1668 -9.1668 -8.8988 -8.8988 7.3529 7.3529 7.5105 7.5105 8.4373 8.4373 8.8618 8.8618 9.9542 9.9542 10.7997 10.7997 13.4039 13.4039 13.9041 13.9041 15.0709 15.0709 17.2046 17.2046 17.3438 17.3438 k = 0.4524 0.4524-0.0000 ( 1392 PWs) bands (ev): -29.4063 -29.4063 -10.4784 -10.4784 -9.1651 -9.1651 -8.8988 -8.8988 7.3585 7.3585 7.5172 7.5172 8.4438 8.4438 8.8684 8.8684 9.9377 9.9377 10.7716 10.7716 13.3879 13.3879 13.8892 13.8892 15.0885 15.0885 17.1698 17.1698 17.3413 17.3413 k = 0.4444 0.4444-0.0000 ( 1398 PWs) bands (ev): -29.4067 -29.4067 -10.4773 -10.4773 -9.1630 -9.1630 -8.8988 -8.8988 7.3649 7.3649 7.5251 7.5251 8.4514 8.4514 8.8759 8.8759 9.9186 9.9186 10.7384 10.7384 13.3674 13.3674 13.8782 13.8782 15.1050 15.1050 17.1280 17.1280 17.3407 17.3407 k = 0.4365 0.4365-0.0000 ( 1398 PWs) bands (ev): -29.4072 -29.4072 -10.4759 -10.4759 -9.1607 -9.1607 -8.8987 -8.8987 7.3719 7.3719 7.5341 7.5341 8.4599 8.4599 8.8845 8.8845 9.8969 9.8969 10.7001 10.7001 13.3428 13.3428 13.8722 13.8722 15.1192 15.1192 17.0800 17.0800 17.3416 17.3416 k = 0.4286 0.4286-0.0000 ( 1402 PWs) bands (ev): -29.4077 -29.4077 -10.4744 -10.4744 -9.1580 -9.1580 -8.8987 -8.8987 7.3795 7.3795 7.5440 7.5440 8.4694 8.4694 8.8939 8.8939 9.8729 9.8729 10.6569 10.6569 13.3150 13.3150 13.8715 13.8715 15.1304 15.1304 17.0270 17.0270 17.3438 17.3438 k = 0.4206 0.4206-0.0000 ( 1408 PWs) bands (ev): -29.4082 -29.4082 -10.4727 -10.4727 -9.1550 -9.1550 -8.8987 -8.8987 7.3876 7.3876 7.5548 7.5548 8.4797 8.4797 8.9040 8.9040 9.8468 9.8468 10.6089 10.6089 13.2852 13.2852 13.8760 13.8760 15.1380 15.1380 16.9699 16.9699 17.3468 17.3468 k = 0.4127 0.4127-0.0000 ( 1408 PWs) bands (ev): -29.4088 -29.4088 -10.4708 -10.4708 -9.1518 -9.1518 -8.8986 -8.8986 7.3961 7.3961 7.5663 7.5663 8.4907 8.4907 8.9147 8.9147 9.8189 9.8189 10.5564 10.5564 13.2548 13.2548 13.8851 13.8851 15.1417 15.1417 16.9095 16.9095 17.3507 17.3507 k = 0.4048 0.4048-0.0000 ( 1404 PWs) bands (ev): -29.4094 -29.4094 -10.4688 -10.4688 -9.1482 -9.1482 -8.8985 -8.8985 7.4048 7.4048 7.5785 7.5785 8.5023 8.5023 8.9258 8.9258 9.7894 9.7894 10.4996 10.4996 13.2251 13.2251 13.8979 13.8979 15.1414 15.1414 16.8467 16.8467 17.3553 17.3553 k = 0.3968 0.3968-0.0000 ( 1402 PWs) bands (ev): -29.4101 -29.4101 -10.4666 -10.4666 -9.1443 -9.1443 -8.8984 -8.8984 7.4136 7.4136 7.5913 7.5913 8.5142 8.5142 8.9371 8.9371 9.7585 9.7585 10.4390 10.4390 13.1974 13.1974 13.9139 13.9139 15.1370 15.1370 16.7821 16.7821 17.3607 17.3607 k = 0.3889 0.3889-0.0000 ( 1402 PWs) bands (ev): -29.4108 -29.4108 -10.4642 -10.4642 -9.1402 -9.1402 -8.8983 -8.8983 7.4225 7.4225 7.6043 7.6043 8.5262 8.5262 8.9484 8.9484 9.7266 9.7266 10.3751 10.3751 13.1728 13.1728 13.9323 13.9323 15.1287 15.1287 16.7164 16.7164 17.3666 17.3666 k = 0.3810 0.3810-0.0000 ( 1398 PWs) bands (ev): -29.4116 -29.4116 -10.4617 -10.4617 -9.1358 -9.1358 -8.8981 -8.8981 7.4312 7.4312 7.6176 7.6176 8.5380 8.5380 8.9593 8.9593 9.6940 9.6940 10.3085 10.3085 13.1519 13.1519 13.9527 13.9527 15.1168 15.1168 16.6504 16.6504 17.3731 17.3731 k = 0.3730 0.3730-0.0000 ( 1400 PWs) bands (ev): -29.4124 -29.4124 -10.4591 -10.4591 -9.1310 -9.1310 -8.8979 -8.8979 7.4397 7.4397 7.6308 7.6308 8.5493 8.5493 8.9695 8.9695 9.6613 9.6613 10.2398 10.2398 13.1356 13.1356 13.9744 13.9744 15.1017 15.1017 16.5846 16.5846 17.3802 17.3802 k = 0.3651 0.3651-0.0000 ( 1392 PWs) bands (ev): -29.4133 -29.4133 -10.4562 -10.4562 -9.1261 -9.1261 -8.8977 -8.8977 7.4477 7.4477 7.6439 7.6439 8.5596 8.5596 8.9787 8.9787 9.6289 9.6289 10.1698 10.1698 13.1241 13.1241 13.9970 13.9970 15.0838 15.0838 16.5196 16.5196 17.3880 17.3880 k = 0.3571 0.3571-0.0000 ( 1392 PWs) bands (ev): -29.4142 -29.4142 -10.4533 -10.4533 -9.1208 -9.1208 -8.8974 -8.8974 7.4553 7.4553 7.6567 7.6567 8.5681 8.5681 8.9864 8.9864 9.5975 9.5975 10.0995 10.0995 13.1180 13.1180 14.0202 14.0202 15.0636 15.0636 16.4559 16.4559 17.3963 17.3963 k = 0.3492 0.3492-0.0000 ( 1392 PWs) bands (ev): -29.4152 -29.4152 -10.4502 -10.4502 -9.1153 -9.1153 -8.8971 -8.8971 7.4622 7.4622 7.6689 7.6689 8.5743 8.5743 8.9924 8.9924 9.5676 9.5676 10.0296 10.0296 13.1174 13.1174 14.0437 14.0437 15.0415 15.0415 16.3941 16.3941 17.4052 17.4052 k = 0.3413 0.3413-0.0000 ( 1388 PWs) bands (ev): -29.4161 -29.4161 -10.4469 -10.4469 -9.1095 -9.1095 -8.8967 -8.8967 7.4682 7.4682 7.6804 7.6804 8.5770 8.5770 8.9964 8.9964 9.5401 9.5401 9.9612 9.9612 13.1226 13.1226 14.0673 14.0673 15.0181 15.0181 16.3346 16.3346 17.4148 17.4148 k = 0.3333 0.3333-0.0000 ( 1380 PWs) bands (ev): -29.4171 -29.4171 -10.4436 -10.4436 -9.1035 -9.1035 -8.8963 -8.8963 7.4733 7.4733 7.6910 7.6910 8.5751 8.5751 8.9985 8.9985 9.5156 9.5156 9.8951 9.8951 13.1335 13.1335 14.0906 14.0906 14.9940 14.9940 16.2779 16.2779 17.4249 17.4249 k = 0.3254 0.3254-0.0000 ( 1384 PWs) bands (ev): -29.4182 -29.4182 -10.4401 -10.4401 -9.0973 -9.0973 -8.8958 -8.8958 7.4771 7.4771 7.7007 7.7007 8.5673 8.5673 8.9990 8.9990 9.4946 9.4946 9.8322 9.8322 13.1503 13.1503 14.1134 14.1134 14.9696 14.9696 16.2243 16.2243 17.4356 17.4356 k = 0.3175 0.3175-0.0000 ( 1388 PWs) bands (ev): -29.4193 -29.4193 -10.4365 -10.4365 -9.0908 -9.0908 -8.8953 -8.8953 7.4794 7.4794 7.7091 7.7091 8.5525 8.5525 8.9986 8.9986 9.4772 9.4772 9.7736 9.7736 13.1729 13.1729 14.1357 14.1357 14.9454 14.9454 16.1743 16.1743 17.4469 17.4469 k = 0.3095 0.3095-0.0000 ( 1388 PWs) bands (ev): -29.4204 -29.4204 -10.4328 -10.4328 -9.0842 -9.0842 -8.8947 -8.8947 7.4800 7.4800 7.7163 7.7163 8.5295 8.5295 8.9984 8.9984 9.4628 9.4628 9.7202 9.7202 13.2014 13.2014 14.1573 14.1573 14.9220 14.9220 16.1282 16.1282 17.4589 17.4589 k = 0.3016 0.3016-0.0000 ( 1390 PWs) bands (ev): -29.4215 -29.4215 -10.4290 -10.4290 -9.0773 -9.0773 -8.8940 -8.8940 7.4786 7.4786 7.7221 7.7221 8.4982 8.4982 8.9992 8.9992 9.4504 9.4504 9.6731 9.6731 13.2355 13.2355 14.1781 14.1781 14.8999 14.8999 16.0863 16.0863 17.4714 17.4714 k = 0.2937 0.2937-0.0000 ( 1390 PWs) bands (ev): -29.4227 -29.4227 -10.4251 -10.4251 -9.0703 -9.0703 -8.8933 -8.8933 7.4747 7.4747 7.7264 7.7264 8.4588 8.4588 9.0016 9.0016 9.4380 9.4380 9.6337 9.6337 13.2752 13.2752 14.1980 14.1980 14.8796 14.8796 16.0491 16.0491 17.4846 17.4846 k = 0.2857 0.2857-0.0000 ( 1390 PWs) bands (ev): -29.4239 -29.4239 -10.4211 -10.4211 -9.0631 -9.0631 -8.8925 -8.8925 7.4680 7.4680 7.7293 7.7293 8.4124 8.4124 9.0057 9.0057 9.4235 9.4235 9.6035 9.6035 13.3202 13.3202 14.2170 14.2170 14.8616 14.8616 16.0167 16.0167 17.4983 17.4983 k = 0.2778 0.2778-0.0000 ( 1388 PWs) bands (ev): -29.4251 -29.4251 -10.4171 -10.4171 -9.0557 -9.0557 -8.8917 -8.8917 7.4580 7.4580 7.7305 7.7305 8.3607 8.3607 9.0116 9.0116 9.4052 9.4052 9.5833 9.5833 13.3702 13.3702 14.2350 14.2350 14.8464 14.8464 15.9894 15.9894 17.5126 17.5126 k = 0.2698 0.2698-0.0000 ( 1388 PWs) bands (ev): -29.4263 -29.4263 -10.4130 -10.4130 -9.0482 -9.0482 -8.8908 -8.8908 7.4440 7.4440 7.7303 7.7303 8.3054 8.3054 9.0187 9.0187 9.3832 9.3832 9.5724 9.5724 13.4249 13.4249 14.2520 14.2520 14.8346 14.8346 15.9676 15.9676 17.5275 17.5275 k = 0.2619 0.2619-0.0000 ( 1388 PWs) bands (ev): -29.4275 -29.4275 -10.4088 -10.4088 -9.0405 -9.0405 -8.8898 -8.8898 7.4255 7.4255 7.7286 7.7286 8.2483 8.2483 9.0268 9.0268 9.3586 9.3586 9.5687 9.5687 13.4837 13.4837 14.2680 14.2680 14.8267 14.8267 15.9513 15.9513 17.5430 17.5430 k = 0.2540 0.2540-0.0000 ( 1388 PWs) bands (ev): -29.4287 -29.4287 -10.4046 -10.4046 -9.0328 -9.0328 -8.8887 -8.8887 7.4018 7.4018 7.7255 7.7255 8.1913 8.1913 9.0354 9.0354 9.3331 9.3331 9.5699 9.5699 13.5462 13.5462 14.2831 14.2831 14.8234 14.8234 15.9407 15.9407 17.5590 17.5590 k = 0.2460 0.2460-0.0000 ( 1396 PWs) bands (ev): -29.4299 -29.4299 -10.4004 -10.4004 -9.0250 -9.0250 -8.8877 -8.8877 7.3724 7.3724 7.7211 7.7211 8.1357 8.1357 9.0442 9.0442 9.3080 9.3080 9.5741 9.5741 13.6114 13.6114 14.2973 14.2973 14.8254 14.8254 15.9361 15.9361 17.5755 17.5755 k = 0.2381 0.2381-0.0000 ( 1396 PWs) bands (ev): -29.4312 -29.4312 -10.3961 -10.3961 -9.0171 -9.0171 -8.8865 -8.8865 7.3369 7.3369 7.7157 7.7157 8.0829 8.0829 9.0529 9.0529 9.2840 9.2840 9.5802 9.5802 13.6786 13.6786 14.3107 14.3107 14.8336 14.8336 15.9376 15.9376 17.5926 17.5926 k = 0.2302 0.2302-0.0000 ( 1396 PWs) bands (ev): -29.4324 -29.4324 -10.3919 -10.3919 -9.0091 -9.0091 -8.8853 -8.8853 7.2951 7.2951 7.7093 7.7093 8.0337 8.0337 9.0613 9.0613 9.2615 9.2615 9.5874 9.5874 13.7467 13.7467 14.3234 14.3234 14.8488 14.8488 15.9453 15.9453 17.6101 17.6101 k = 0.2222 0.2222-0.0000 ( 1396 PWs) bands (ev): -29.4336 -29.4336 -10.3876 -10.3876 -9.0011 -9.0011 -8.8840 -8.8840 7.2473 7.2473 7.7021 7.7021 7.9885 7.9885 9.0692 9.0692 9.2406 9.2406 9.5950 9.5950 13.8142 13.8142 14.3354 14.3354 14.8722 14.8722 15.9592 15.9592 17.6280 17.6280 k = 0.2143 0.2143-0.0000 ( 1400 PWs) bands (ev): -29.4349 -29.4349 -10.3833 -10.3833 -8.9931 -8.9931 -8.8827 -8.8827 7.1940 7.1940 7.6942 7.6942 7.9474 7.9474 9.0765 9.0765 9.2215 9.2215 9.6027 9.6027 13.8801 13.8801 14.3468 14.3468 14.9049 14.9049 15.9795 15.9795 17.6464 17.6464 k = 0.2063 0.2063-0.0000 ( 1400 PWs) bands (ev): -29.4361 -29.4361 -10.3791 -10.3791 -8.9851 -8.9851 -8.8814 -8.8814 7.1360 7.1360 7.6858 7.6858 7.9100 7.9100 9.0830 9.0830 9.2042 9.2042 9.6103 9.6103 13.9427 13.9427 14.3578 14.3578 14.9478 14.9478 16.0062 16.0062 17.6651 17.6651 k = 0.1984 0.1984-0.0000 ( 1404 PWs) bands (ev): -29.4373 -29.4373 -10.3749 -10.3749 -8.9772 -8.9772 -8.8800 -8.8800 7.0742 7.0742 7.6769 7.6769 7.8759 7.8759 9.0887 9.0887 9.1885 9.1885 9.6176 9.6176 14.0010 14.0010 14.3683 14.3683 15.0020 15.0020 16.0393 16.0393 17.6841 17.6841 k = 0.1905 0.1905-0.0000 ( 1398 PWs) bands (ev): -29.4384 -29.4384 -10.3708 -10.3708 -8.9693 -8.9693 -8.8786 -8.8786 7.0097 7.0097 7.6677 7.6677 7.8447 7.8447 9.0935 9.0935 9.1744 9.1744 9.6245 9.6245 14.0542 14.0542 14.3784 14.3784 15.0678 15.0678 16.0789 16.0789 17.7033 17.7033 k = 0.1825 0.1825-0.0000 ( 1394 PWs) bands (ev): -29.4396 -29.4396 -10.3667 -10.3667 -8.9615 -8.9615 -8.8772 -8.8772 6.9433 6.9433 7.6581 7.6581 7.8158 7.8158 9.0974 9.0974 9.1619 9.1619 9.6310 9.6310 14.1017 14.1017 14.3881 14.3881 15.1454 15.1454 16.1248 16.1248 17.7228 17.7228 k = 0.1746 0.1746-0.0000 ( 1394 PWs) bands (ev): -29.4407 -29.4407 -10.3626 -10.3626 -8.9537 -8.9537 -8.8757 -8.8757 6.8760 6.8760 7.6483 7.6483 7.7888 7.7888 9.1005 9.1005 9.1508 9.1508 9.6370 9.6370 14.1438 14.1438 14.3973 14.3973 15.2342 15.2342 16.1770 16.1770 17.7423 17.7423 k = 0.1667 0.1667-0.0000 ( 1400 PWs) bands (ev): -29.4418 -29.4418 -10.3587 -10.3587 -8.9461 -8.9461 -8.8743 -8.8743 6.8085 6.8085 7.6383 7.6383 7.7635 7.7635 9.1026 9.1026 9.1411 9.1411 9.6425 9.6425 14.1808 14.1808 14.4061 14.4061 15.3334 15.3334 16.2355 16.2355 17.7620 17.7620 k = 0.1587 0.1587-0.0000 ( 1398 PWs) bands (ev): -29.4429 -29.4429 -10.3549 -10.3549 -8.9387 -8.9387 -8.8728 -8.8728 6.7415 6.7415 7.6281 7.6281 7.7395 7.7395 9.1037 9.1037 9.1327 9.1327 9.6475 9.6475 14.2135 14.2135 14.4144 14.4144 15.4417 15.4417 16.3002 16.3002 17.7816 17.7816 k = 0.1508 0.1508-0.0000 ( 1394 PWs) bands (ev): -29.4439 -29.4439 -10.3511 -10.3511 -8.9314 -8.9314 -8.8713 -8.8713 6.6756 6.6756 7.6178 7.6178 7.7166 7.7166 9.1039 9.1039 9.1255 9.1255 9.6520 9.6520 14.2425 14.2425 14.4222 14.4222 15.5581 15.5581 16.3709 16.3709 17.8012 17.8012 k = 0.1429 0.1429-0.0000 ( 1396 PWs) bands (ev): -29.4449 -29.4449 -10.3475 -10.3475 -8.9243 -8.9243 -8.8699 -8.8699 6.6111 6.6111 7.6074 7.6074 7.6949 7.6949 9.1030 9.1030 9.1197 9.1197 9.6561 9.6561 14.2686 14.2686 14.4295 14.4295 15.6810 15.6810 16.4477 16.4477 17.8206 17.8206 k = 0.1349 0.1349-0.0000 ( 1388 PWs) bands (ev): -29.4459 -29.4459 -10.3440 -10.3440 -8.9175 -8.9175 -8.8685 -8.8685 6.5485 6.5485 7.5971 7.5971 7.6741 7.6741 9.1011 9.1011 9.1151 9.1151 9.6598 9.6598 14.2922 14.2922 14.4363 14.4363 15.8094 15.8094 16.5303 16.5303 17.8397 17.8397 k = 0.1270 0.1270-0.0000 ( 1388 PWs) bands (ev): -29.4468 -29.4468 -10.3407 -10.3407 -8.9109 -8.9109 -8.8671 -8.8671 6.4882 6.4882 7.5869 7.5869 7.6543 7.6543 9.0984 9.0984 9.1115 9.1115 9.6631 9.6631 14.3139 14.3139 14.4427 14.4427 15.9420 15.9420 16.6186 16.6186 17.8585 17.8585 k = 0.1190 0.1190-0.0000 ( 1382 PWs) bands (ev): -29.4477 -29.4477 -10.3375 -10.3375 -8.9045 -8.9045 -8.8657 -8.8657 6.4304 6.4304 7.5769 7.5769 7.6355 7.6355 9.0954 9.0954 9.1084 9.1084 9.6662 9.6662 14.3341 14.3341 14.4486 14.4486 16.0778 16.0778 16.7124 16.7124 17.8769 17.8769 k = 0.1111 0.1111-0.0000 ( 1382 PWs) bands (ev): -29.4485 -29.4485 -10.3344 -10.3344 -8.8984 -8.8984 -8.8644 -8.8644 6.3755 6.3755 7.5671 7.5671 7.6176 7.6176 9.0923 9.0923 9.1055 9.1055 9.6689 9.6689 14.3528 14.3528 14.4540 14.4540 16.2158 16.2158 16.8113 16.8113 17.8949 17.8949 k = 0.1032 0.1032-0.0000 ( 1378 PWs) bands (ev): -29.4493 -29.4493 -10.3315 -10.3315 -8.8927 -8.8927 -8.8631 -8.8631 6.3235 6.3235 7.5576 7.5576 7.6008 7.6008 9.0895 9.0895 9.1025 9.1025 9.6713 9.6713 14.3704 14.3704 14.4589 14.4589 16.3550 16.3550 16.9149 16.9149 17.9123 17.9123 k = 0.0952 0.0952-0.0000 ( 1378 PWs) bands (ev): -29.4500 -29.4500 -10.3288 -10.3288 -8.8873 -8.8873 -8.8619 -8.8619 6.2747 6.2747 7.5485 7.5485 7.5850 7.5850 9.0869 9.0869 9.0996 9.0996 9.6735 9.6735 14.3869 14.3869 14.4635 14.4635 16.4948 16.4948 17.0228 17.0228 17.9290 17.9290 k = 0.0873 0.0873-0.0000 ( 1373 PWs) bands (ev): -29.4507 -29.4507 -10.3263 -10.3263 -8.8822 -8.8822 -8.8607 -8.8607 6.2293 6.2293 7.5398 7.5398 7.5702 7.5702 9.0846 9.0846 9.0965 9.0965 9.6755 9.6755 14.4022 14.4022 14.4677 14.4677 16.6344 16.6344 17.1342 17.1342 17.9451 17.9451 k = 0.0794 0.0794-0.0000 ( 1373 PWs) bands (ev): -29.4514 -29.4514 -10.3240 -10.3240 -8.8775 -8.8775 -8.8597 -8.8597 6.1874 6.1874 7.5317 7.5317 7.5566 7.5566 9.0827 9.0827 9.0935 9.0935 9.6772 9.6772 14.4165 14.4165 14.4715 14.4715 16.7734 16.7734 17.2479 17.2479 17.9605 17.9605 k = 0.0714 0.0714-0.0000 ( 1373 PWs) bands (ev): -29.4519 -29.4519 -10.3219 -10.3219 -8.8732 -8.8732 -8.8587 -8.8587 6.1492 6.1492 7.5241 7.5241 7.5442 7.5442 9.0810 9.0810 9.0905 9.0905 9.6788 9.6788 14.4297 14.4297 14.4749 14.4749 16.9111 16.9111 17.3627 17.3627 17.9752 17.9752 k = 0.0635 0.0635-0.0000 ( 1373 PWs) bands (ev): -29.4525 -29.4525 -10.3199 -10.3199 -8.8693 -8.8693 -8.8577 -8.8577 6.1147 6.1147 7.5171 7.5171 7.5329 7.5329 9.0795 9.0795 9.0876 9.0876 9.6802 9.6802 14.4417 14.4417 14.4779 14.4779 17.0475 17.0475 17.4767 17.4767 17.9894 17.9894 k = 0.0556 0.0556-0.0000 ( 1371 PWs) bands (ev): -29.4529 -29.4529 -10.3182 -10.3182 -8.8658 -8.8658 -8.8569 -8.8569 6.0841 6.0841 7.5109 7.5109 7.5229 7.5229 9.0783 9.0783 9.0848 9.0848 9.6814 9.6814 14.4525 14.4525 14.4805 14.4805 17.1822 17.1822 17.5877 17.5877 18.0034 18.0034 k = 0.0476 0.0476-0.0000 ( 1363 PWs) bands (ev): -29.4533 -29.4533 -10.3167 -10.3167 -8.8628 -8.8628 -8.8562 -8.8562 6.0573 6.0573 7.5053 7.5053 7.5141 7.5141 9.0773 9.0773 9.0823 9.0823 9.6825 9.6825 14.4620 14.4620 14.4828 14.4828 17.3150 17.3150 17.6926 17.6926 18.0178 18.0178 k = 0.0397 0.0397-0.0000 ( 1363 PWs) bands (ev): -29.4537 -29.4537 -10.3155 -10.3155 -8.8602 -8.8602 -8.8556 -8.8556 6.0346 6.0346 7.5006 7.5006 7.5067 7.5067 9.0765 9.0765 9.0801 9.0801 9.6834 9.6834 14.4702 14.4702 14.4848 14.4848 17.4456 17.4456 17.7870 17.7870 18.0341 18.0341 k = 0.0317 0.0317-0.0000 ( 1363 PWs) bands (ev): -29.4539 -29.4539 -10.3144 -10.3144 -8.8580 -8.8580 -8.8551 -8.8551 6.0160 6.0160 7.4966 7.4966 7.5005 7.5005 9.0758 9.0758 9.0782 9.0782 9.6841 9.6841 14.4769 14.4769 14.4864 14.4864 17.5735 17.5735 17.8652 17.8652 18.0548 18.0548 k = 0.0238 0.0238-0.0000 ( 1363 PWs) bands (ev): -29.4542 -29.4542 -10.3136 -10.3136 -8.8563 -8.8563 -8.8547 -8.8547 6.0014 6.0014 7.4935 7.4935 7.4957 7.4957 9.0753 9.0753 9.0767 9.0767 9.6847 9.6847 14.4823 14.4823 14.4876 14.4876 17.6976 17.6976 17.9209 17.9209 18.0822 18.0822 k = 0.0159 0.0159-0.0000 ( 1363 PWs) bands (ev): -29.4543 -29.4543 -10.3130 -10.3130 -8.8551 -8.8551 -8.8544 -8.8544 5.9910 5.9910 7.4913 7.4913 7.4923 7.4923 9.0750 9.0750 9.0756 9.0756 9.6851 9.6851 14.4861 14.4861 14.4885 14.4885 17.8157 17.8157 17.9534 17.9534 18.1132 18.1132 k = 0.0079 0.0079-0.0000 ( 1363 PWs) bands (ev): -29.4544 -29.4544 -10.3127 -10.3127 -8.8544 -8.8544 -8.8542 -8.8542 5.9847 5.9847 7.4900 7.4900 7.4902 7.4902 9.0748 9.0748 9.0749 9.0749 9.6853 9.6853 14.4884 14.4884 14.4890 14.4890 17.9199 17.9199 17.9690 17.9690 18.1377 18.1377 k = 0.0000 0.0000 0.0000 ( 1365 PWs) bands (ev): -29.4545 -29.4545 -10.3125 -10.3125 -8.8542 -8.8542 -8.8542 -8.8542 5.9826 5.9826 7.4895 7.4895 7.4895 7.4895 9.0747 9.0747 9.0747 9.0747 9.6854 9.6854 14.4892 14.4892 14.4892 14.4892 17.9735 17.9735 17.9735 17.9735 18.1469 18.1469 k = 0.0000 0.0000 0.0000 ( 1365 PWs) bands (ev): -29.4545 -29.4545 -10.3125 -10.3125 -8.8542 -8.8542 -8.8542 -8.8542 5.9826 5.9826 7.4895 7.4895 7.4895 7.4895 9.0747 9.0747 9.0747 9.0747 9.6854 9.6854 14.4892 14.4892 14.4892 14.4892 17.9735 17.9735 17.9735 17.9735 18.1469 18.1469 k = 0.0065 0.0065 0.0065 ( 1364 PWs) bands (ev): -29.4544 -29.4544 -10.3127 -10.3127 -8.8544 -8.8544 -8.8543 -8.8543 5.9847 5.9847 7.4900 7.4900 7.4901 7.4901 9.0748 9.0748 9.0749 9.0749 9.6853 9.6853 14.4887 14.4887 14.4887 14.4887 17.9196 17.9196 17.9691 17.9691 18.1375 18.1375 k = 0.0130 0.0130 0.0130 ( 1364 PWs) bands (ev): -29.4543 -29.4543 -10.3130 -10.3130 -8.8549 -8.8549 -8.8547 -8.8547 5.9910 5.9910 7.4916 7.4916 7.4920 7.4920 9.0749 9.0749 9.0756 9.0756 9.6850 9.6850 14.4873 14.4873 14.4873 14.4873 17.8139 17.8139 17.9561 17.9561 18.1104 18.1104 k = 0.0195 0.0195 0.0195 ( 1361 PWs) bands (ev): -29.4542 -29.4542 -10.3136 -10.3136 -8.8557 -8.8557 -8.8553 -8.8553 6.0015 6.0015 7.4942 7.4942 7.4951 7.4951 9.0753 9.0753 9.0767 9.0767 9.6846 9.6846 14.4849 14.4849 14.4851 14.4851 17.6924 17.6924 17.9348 17.9348 18.0677 18.0677 k = 0.0260 0.0260 0.0260 ( 1361 PWs) bands (ev): -29.4539 -29.4539 -10.3144 -10.3144 -8.8570 -8.8570 -8.8562 -8.8562 6.0161 6.0161 7.4978 7.4978 7.4995 7.4995 9.0757 9.0757 9.0783 9.0783 9.6841 9.6841 14.4816 14.4816 14.4819 14.4819 17.5626 17.5626 17.9057 17.9057 18.0124 18.0124 k = 0.0325 0.0325 0.0325 ( 1361 PWs) bands (ev): -29.4537 -29.4537 -10.3155 -10.3155 -8.8585 -8.8585 -8.8573 -8.8573 6.0348 6.0348 7.5023 7.5023 7.5050 7.5050 9.0763 9.0763 9.0802 9.0802 9.6833 9.6833 14.4775 14.4775 14.4780 14.4780 17.4270 17.4270 17.8695 17.8695 17.9473 17.9473 k = 0.0390 0.0390 0.0390 ( 1361 PWs) bands (ev): -29.4533 -29.4533 -10.3167 -10.3167 -8.8604 -8.8604 -8.8587 -8.8587 6.0576 6.0576 7.5079 7.5079 7.5118 7.5118 9.0770 9.0770 9.0825 9.0825 9.6824 9.6824 14.4727 14.4727 14.4734 14.4734 17.2868 17.2868 17.8268 17.8268 17.8751 17.8751 k = 0.0455 0.0455 0.0455 ( 1367 PWs) bands (ev): -29.4529 -29.4529 -10.3182 -10.3182 -8.8626 -8.8626 -8.8603 -8.8603 6.0844 6.0844 7.5144 7.5144 7.5196 7.5196 9.0779 9.0779 9.0850 9.0850 9.6813 9.6813 14.4672 14.4672 14.4682 14.4682 17.1434 17.1434 17.7784 17.7784 17.7978 17.7978 k = 0.0519 0.0519 0.0519 ( 1367 PWs) bands (ev): -29.4524 -29.4524 -10.3200 -10.3200 -8.8651 -8.8651 -8.8621 -8.8621 6.1152 6.1152 7.5217 7.5217 7.5286 7.5286 9.0789 9.0789 9.0877 9.0877 9.6800 9.6800 14.4612 14.4612 14.4626 14.4626 16.9978 16.9978 17.7169 17.7169 17.7249 17.7249 k = 0.0584 0.0584 0.0584 ( 1367 PWs) bands (ev): -29.4519 -29.4519 -10.3219 -10.3219 -8.8679 -8.8679 -8.8642 -8.8642 6.1497 6.1497 7.5300 7.5300 7.5386 7.5386 9.0800 9.0800 9.0907 9.0907 9.6784 9.6784 14.4547 14.4547 14.4566 14.4566 16.8511 16.8511 17.6335 17.6335 17.6670 17.6670 k = 0.0649 0.0649 0.0649 ( 1376 PWs) bands (ev): -29.4513 -29.4513 -10.3240 -10.3240 -8.8709 -8.8709 -8.8665 -8.8665 6.1881 6.1881 7.5390 7.5390 7.5497 7.5497 9.0813 9.0813 9.0937 9.0937 9.6766 9.6766 14.4478 14.4478 14.4504 14.4504 16.7044 16.7044 17.5485 17.5485 17.6053 17.6053 k = 0.0714 0.0714 0.0714 ( 1376 PWs) bands (ev): -29.4507 -29.4507 -10.3263 -10.3263 -8.8743 -8.8743 -8.8691 -8.8691 6.2301 6.2301 7.5488 7.5488 7.5617 7.5617 9.0828 9.0828 9.0967 9.0967 9.6745 9.6745 14.4407 14.4407 14.4441 14.4441 16.5589 16.5589 17.4623 17.4623 17.5402 17.5402 k = 0.0779 0.0779 0.0779 ( 1376 PWs) bands (ev): -29.4500 -29.4500 -10.3288 -10.3288 -8.8779 -8.8779 -8.8718 -8.8718 6.2757 6.2757 7.5593 7.5593 7.5746 7.5746 9.0844 9.0844 9.0997 9.0997 9.6720 9.6720 14.4335 14.4335 14.4379 14.4379 16.4154 16.4154 17.3754 17.3754 17.4723 17.4723 k = 0.0844 0.0844 0.0844 ( 1382 PWs) bands (ev): -29.4492 -29.4492 -10.3315 -10.3315 -8.8817 -8.8817 -8.8748 -8.8748 6.3247 6.3247 7.5705 7.5705 7.5883 7.5883 9.0862 9.0862 9.1026 9.1026 9.6691 9.6691 14.4263 14.4263 14.4319 14.4319 16.2749 16.2749 17.2882 17.2882 17.4019 17.4019 k = 0.0909 0.0909 0.0909 ( 1388 PWs) bands (ev): -29.4484 -29.4484 -10.3344 -10.3344 -8.8858 -8.8858 -8.8780 -8.8780 6.3771 6.3771 7.5822 7.5822 7.6028 7.6028 9.0883 9.0883 9.1053 9.1053 9.6657 9.6657 14.4191 14.4191 14.4263 14.4263 16.1382 16.1382 17.2007 17.2007 17.3294 17.3294 k = 0.0974 0.0974 0.0974 ( 1391 PWs) bands (ev): -29.4476 -29.4476 -10.3375 -10.3375 -8.8901 -8.8901 -8.8814 -8.8814 6.4326 6.4326 7.5944 7.5944 7.6179 7.6179 9.0905 9.0905 9.1079 9.1079 9.6617 9.6617 14.4120 14.4120 14.4212 14.4212 16.0063 16.0063 17.1134 17.1134 17.2552 17.2552 k = 0.1039 0.1039 0.1039 ( 1391 PWs) bands (ev): -29.4467 -29.4467 -10.3407 -10.3407 -8.8945 -8.8945 -8.8850 -8.8850 6.4911 6.4911 7.6071 7.6071 7.6337 7.6337 9.0929 9.0929 9.1102 9.1102 9.6571 9.6571 14.4052 14.4052 14.4167 14.4167 15.8798 15.8798 17.0263 17.0263 17.1796 17.1796 k = 0.1104 0.1104 0.1104 ( 1385 PWs) bands (ev): -29.4457 -29.4457 -10.3440 -10.3440 -8.8992 -8.8992 -8.8888 -8.8888 6.5526 6.5526 7.6202 7.6202 7.6500 7.6500 9.0957 9.0957 9.1123 9.1123 9.6516 9.6516 14.3985 14.3985 14.4129 14.4129 15.7596 15.7596 16.9397 16.9397 17.1028 17.1028 k = 0.1169 0.1169 0.1169 ( 1385 PWs) bands (ev): -29.4447 -29.4447 -10.3475 -10.3475 -8.9040 -8.9040 -8.8927 -8.8927 6.6167 6.6167 7.6336 7.6336 7.6667 7.6667 9.0986 9.0986 9.1141 9.1141 9.6452 9.6452 14.3920 14.3920 14.4100 14.4100 15.6461 15.6461 16.8539 16.8539 17.0252 17.0252 k = 0.1234 0.1234 0.1234 ( 1391 PWs) bands (ev): -29.4436 -29.4436 -10.3511 -10.3511 -8.9089 -8.9089 -8.8969 -8.8969 6.6833 6.6833 7.6471 7.6471 7.6838 7.6838 9.1019 9.1019 9.1157 9.1157 9.6377 9.6377 14.3857 14.3857 14.4079 14.4079 15.5401 15.5401 16.7690 16.7690 16.9471 16.9471 k = 0.1299 0.1299 0.1299 ( 1385 PWs) bands (ev): -29.4425 -29.4425 -10.3548 -10.3548 -8.9139 -8.9139 -8.9012 -8.9012 6.7523 6.7523 7.6609 7.6609 7.7012 7.7012 9.1055 9.1055 9.1172 9.1172 9.6290 9.6290 14.3794 14.3794 14.4068 14.4068 15.4422 15.4422 16.6853 16.6853 16.8687 16.8687 k = 0.1364 0.1364 0.1364 ( 1388 PWs) bands (ev): -29.4414 -29.4414 -10.3587 -10.3587 -8.9191 -8.9191 -8.9057 -8.9057 6.8234 6.8234 7.6747 7.6747 7.7188 7.7188 9.1094 9.1094 9.1184 9.1184 9.6190 9.6190 14.3731 14.3731 14.4066 14.4066 15.3527 15.3527 16.6032 16.6032 16.7903 16.7903 k = 0.1429 0.1429 0.1429 ( 1382 PWs) bands (ev): -29.4402 -29.4402 -10.3626 -10.3626 -8.9243 -8.9243 -8.9103 -8.9103 6.8963 6.8963 7.6885 7.6885 7.7365 7.7365 9.1137 9.1137 9.1196 9.1196 9.6076 9.6076 14.3666 14.3666 14.4073 14.4073 15.2722 15.2722 16.5230 16.5230 16.7123 16.7123 k = 0.1494 0.1494 0.1494 ( 1382 PWs) bands (ev): -29.4390 -29.4390 -10.3666 -10.3666 -8.9297 -8.9297 -8.9150 -8.9150 6.9709 6.9709 7.7023 7.7023 7.7544 7.7544 9.1183 9.1183 9.1207 9.1207 9.5947 9.5947 14.3597 14.3597 14.4089 14.4089 15.2011 15.2011 16.4451 16.4451 16.6349 16.6349 k = 0.1558 0.1558 0.1558 ( 1382 PWs) bands (ev): -29.4377 -29.4377 -10.3708 -10.3708 -8.9351 -8.9351 -8.9199 -8.9199 7.0468 7.0468 7.7159 7.7159 7.7725 7.7725 9.1220 9.1220 9.1234 9.1234 9.5802 9.5802 14.3520 14.3520 14.4112 14.4112 15.1396 15.1396 16.3700 16.3700 16.5586 16.5586 k = 0.1623 0.1623 0.1623 ( 1382 PWs) bands (ev): -29.4364 -29.4364 -10.3750 -10.3750 -8.9405 -8.9405 -8.9249 -8.9249 7.1236 7.1236 7.7293 7.7293 7.7908 7.7908 9.1234 9.1234 9.1290 9.1290 9.5640 9.5640 14.3433 14.3433 14.4139 14.4139 15.0880 15.0880 16.2981 16.2981 16.4838 16.4838 k = 0.1688 0.1688 0.1688 ( 1394 PWs) bands (ev): -29.4352 -29.4352 -10.3792 -10.3792 -8.9460 -8.9460 -8.9301 -8.9301 7.2009 7.2009 7.7425 7.7425 7.8096 7.8096 9.1251 9.1251 9.1350 9.1350 9.5463 9.5463 14.3331 14.3331 14.4169 14.4169 15.0464 15.0464 16.2301 16.2301 16.4109 16.4109 k = 0.1753 0.1753 0.1753 ( 1394 PWs) bands (ev): -29.4338 -29.4338 -10.3836 -10.3836 -8.9515 -8.9515 -8.9353 -8.9353 7.2781 7.2781 7.7553 7.7553 7.8291 7.8291 9.1272 9.1272 9.1415 9.1415 9.5269 9.5269 14.3210 14.3210 14.4199 14.4199 15.0148 15.0148 16.1667 16.1667 16.3405 16.3405 k = 0.1818 0.1818 0.1818 ( 1394 PWs) bands (ev): -29.4325 -29.4325 -10.3880 -10.3880 -8.9570 -8.9570 -8.9407 -8.9407 7.3543 7.3543 7.7677 7.7677 7.8499 7.8499 9.1299 9.1299 9.1487 9.1487 9.5060 9.5060 14.3066 14.3066 14.4223 14.4223 14.9933 14.9933 16.1083 16.1083 16.2732 16.2732 k = 0.1883 0.1883 0.1883 ( 1394 PWs) bands (ev): -29.4311 -29.4311 -10.3924 -10.3924 -8.9625 -8.9625 -8.9461 -8.9461 7.4283 7.4283 7.7797 7.7797 7.8730 7.8730 9.1332 9.1332 9.1563 9.1563 9.4837 9.4837 14.2894 14.2894 14.4236 14.4236 14.9816 14.9816 16.0559 16.0559 16.2096 16.2096 k = 0.1948 0.1948 0.1948 ( 1394 PWs) bands (ev): -29.4297 -29.4297 -10.3968 -10.3968 -8.9680 -8.9680 -8.9516 -8.9516 7.4985 7.4985 7.7912 7.7912 7.8997 7.8997 9.1373 9.1373 9.1646 9.1646 9.4602 9.4602 14.2687 14.2687 14.4233 14.4233 14.9798 14.9798 16.0099 16.0099 16.1506 16.1506 k = 0.2013 0.2013 0.2013 ( 1397 PWs) bands (ev): -29.4283 -29.4283 -10.4013 -10.4013 -8.9735 -8.9735 -8.9572 -8.9572 7.5628 7.5628 7.8022 7.8022 7.9320 7.9320 9.1423 9.1423 9.1736 9.1736 9.4356 9.4356 14.2440 14.2440 14.4205 14.4205 14.9874 14.9874 15.9713 15.9713 16.0969 16.0969 k = 0.2078 0.2078 0.2078 ( 1397 PWs) bands (ev): -29.4268 -29.4268 -10.4059 -10.4059 -8.9789 -8.9789 -8.9628 -8.9628 7.6186 7.6186 7.8126 7.8126 7.9721 7.9721 9.1482 9.1482 9.1832 9.1832 9.4102 9.4102 14.2149 14.2149 14.4146 14.4146 15.0044 15.0044 15.9404 15.9404 16.0495 16.0495 k = 0.2143 0.2143 0.2143 ( 1391 PWs) bands (ev): -29.4254 -29.4254 -10.4104 -10.4104 -8.9844 -8.9844 -8.9685 -8.9685 7.6640 7.6640 7.8225 7.8225 8.0219 8.0219 9.1552 9.1552 9.1935 9.1935 9.3842 9.3842 14.1809 14.1809 14.4047 14.4047 15.0305 15.0305 15.9178 15.9178 16.0092 16.0092 k = 0.2208 0.2208 0.2208 ( 1397 PWs) bands (ev): -29.4239 -29.4239 -10.4149 -10.4149 -8.9898 -8.9898 -8.9742 -8.9742 7.6987 7.6987 7.8318 7.8318 8.0816 8.0816 9.1632 9.1632 9.2045 9.2045 9.3579 9.3579 14.1418 14.1418 14.3900 14.3900 15.0653 15.0653 15.9037 15.9037 15.9769 15.9769 k = 0.2273 0.2273 0.2273 ( 1394 PWs) bands (ev): -29.4224 -29.4224 -10.4195 -10.4195 -8.9952 -8.9952 -8.9800 -8.9800 7.7239 7.7239 7.8405 7.8405 8.1497 8.1497 9.1724 9.1724 9.2162 9.2162 9.3316 9.3316 14.0975 14.0975 14.3698 14.3698 15.1084 15.1084 15.8982 15.8982 15.9534 15.9534 k = 0.2338 0.2338 0.2338 ( 1400 PWs) bands (ev): -29.4210 -29.4210 -10.4240 -10.4240 -9.0005 -9.0005 -8.9857 -8.9857 7.7416 7.7416 7.8486 7.8486 8.2243 8.2243 9.1827 9.1827 9.2287 9.2287 9.3057 9.3057 14.0480 14.0480 14.3436 14.3436 15.1596 15.1596 15.9013 15.9013 15.9391 15.9391 k = 0.2403 0.2403 0.2403 ( 1400 PWs) bands (ev): -29.4195 -29.4195 -10.4286 -10.4286 -9.0058 -9.0058 -8.9915 -8.9915 7.7535 7.7535 7.8561 7.8561 8.3035 8.3035 9.1939 9.1939 9.2420 9.2420 9.2806 9.2806 13.9936 13.9936 14.3111 14.3111 15.2183 15.2183 15.9129 15.9129 15.9346 15.9346 k = 0.2468 0.2468 0.2468 ( 1394 PWs) bands (ev): -29.4180 -29.4180 -10.4331 -10.4331 -9.0110 -9.0110 -8.9973 -8.9973 7.7611 7.7611 7.8630 7.8630 8.3857 8.3857 9.2054 9.2054 9.2560 9.2560 9.2573 9.2573 13.9345 13.9345 14.2722 14.2722 15.2840 15.2840 15.9324 15.9324 15.9398 15.9398 k = 0.2532 0.2532 0.2532 ( 1400 PWs) bands (ev): -29.4166 -29.4166 -10.4376 -10.4376 -9.0162 -9.0162 -9.0031 -9.0031 7.7656 7.7656 7.8693 7.8693 8.4698 8.4698 9.2124 9.2124 9.2408 9.2408 9.2708 9.2708 13.8713 13.8713 14.2272 14.2272 15.3563 15.3563 15.9546 15.9546 15.9597 15.9597 k = 0.2597 0.2597 0.2597 ( 1400 PWs) bands (ev): -29.4151 -29.4151 -10.4421 -10.4421 -9.0213 -9.0213 -9.0089 -9.0089 7.7677 7.7677 7.8751 7.8751 8.5548 8.5548 9.2018 9.2018 9.2448 9.2448 9.2864 9.2864 13.8043 13.8043 14.1764 14.1764 15.4344 15.4344 15.9785 15.9785 15.9941 15.9941 k = 0.2662 0.2662 0.2662 ( 1406 PWs) bands (ev): -29.4136 -29.4136 -10.4466 -10.4466 -9.0263 -9.0263 -9.0146 -9.0146 7.7680 7.7680 7.8804 7.8804 8.6399 8.6399 9.1839 9.1839 9.2593 9.2593 9.3028 9.3028 13.7342 13.7342 14.1203 14.1203 15.5179 15.5179 16.0112 16.0112 16.0352 16.0352 k = 0.2727 0.2727 0.2727 ( 1406 PWs) bands (ev): -29.4122 -29.4122 -10.4510 -10.4510 -9.0313 -9.0313 -9.0203 -9.0203 7.7670 7.7670 7.8851 7.8851 8.7240 8.7240 9.1673 9.1673 9.2765 9.2765 9.3200 9.3200 13.6612 13.6612 14.0595 14.0595 15.6059 15.6059 16.0519 16.0519 16.0825 16.0825 k = 0.2792 0.2792 0.2792 ( 1406 PWs) bands (ev): -29.4107 -29.4107 -10.4554 -10.4554 -9.0363 -9.0363 -9.0260 -9.0260 7.7652 7.7652 7.8895 7.8895 8.8054 8.8054 9.1548 9.1548 9.2954 9.2954 9.3380 9.3380 13.5859 13.5859 13.9947 13.9947 15.6977 15.6977 16.1001 16.1001 16.1356 16.1356 k = 0.2857 0.2857 0.2857 ( 1418 PWs) bands (ev): -29.4093 -29.4093 -10.4598 -10.4598 -9.0411 -9.0411 -9.0316 -9.0316 7.7627 7.7627 7.8933 7.8933 8.8804 8.8804 9.1498 9.1498 9.3157 9.3157 9.3568 9.3568 13.5088 13.5088 13.9263 13.9263 15.7923 15.7923 16.1551 16.1551 16.1941 16.1941 k = 0.2922 0.2922 0.2922 ( 1418 PWs) bands (ev): -29.4079 -29.4079 -10.4641 -10.4641 -9.0460 -9.0460 -9.0372 -9.0372 7.7600 7.7600 7.8968 7.8968 8.9420 8.9420 9.1598 9.1598 9.3372 9.3372 9.3764 9.3764 13.4301 13.4301 13.8551 13.8551 15.8886 15.8886 16.2163 16.2163 16.2576 16.2576 k = 0.2987 0.2987 0.2987 ( 1412 PWs) bands (ev): -29.4065 -29.4065 -10.4684 -10.4684 -9.0507 -9.0507 -9.0426 -9.0426 7.7573 7.7573 7.8999 7.8999 8.9802 8.9802 9.1941 9.1941 9.3601 9.3601 9.3968 9.3968 13.3502 13.3502 13.7815 13.7815 15.9852 15.9852 16.2832 16.2832 16.3257 16.3257 k = 0.3052 0.3052 0.3052 ( 1412 PWs) bands (ev): -29.4051 -29.4051 -10.4726 -10.4726 -9.0554 -9.0554 -9.0480 -9.0480 7.7548 7.7548 7.9027 7.9027 8.9951 8.9951 9.2524 9.2524 9.3847 9.3847 9.4179 9.4179 13.2696 13.2696 13.7061 13.7061 16.0806 16.0806 16.3552 16.3552 16.3982 16.3982 k = 0.3117 0.3117 0.3117 ( 1415 PWs) bands (ev): -29.4037 -29.4037 -10.4768 -10.4768 -9.0600 -9.0600 -9.0533 -9.0533 7.7528 7.7528 7.9051 7.9051 8.9967 8.9967 9.3231 9.3231 9.4125 9.4125 9.4398 9.4398 13.1884 13.1884 13.6291 13.6291 16.1724 16.1724 16.4319 16.4319 16.4746 16.4746 k = 0.3182 0.3182 0.3182 ( 1418 PWs) bands (ev): -29.4024 -29.4024 -10.4809 -10.4809 -9.0645 -9.0645 -9.0586 -9.0586 7.7514 7.7514 7.9074 7.9074 8.9927 8.9927 9.3915 9.3915 9.4503 9.4503 9.4624 9.4624 13.1069 13.1069 13.5510 13.5510 16.2577 16.2577 16.5129 16.5129 16.5548 16.5548 k = 0.3247 0.3247 0.3247 ( 1412 PWs) bands (ev): -29.4010 -29.4010 -10.4849 -10.4849 -9.0690 -9.0690 -9.0637 -9.0637 7.7508 7.7508 7.9093 7.9093 8.9867 8.9867 9.4383 9.4383 9.4858 9.4858 9.5138 9.5138 13.0254 13.0254 13.4722 13.4722 16.3329 16.3329 16.5978 16.5978 16.6385 16.6385 k = 0.3312 0.3312 0.3312 ( 1412 PWs) bands (ev): -29.3997 -29.3997 -10.4888 -10.4888 -9.0733 -9.0733 -9.0687 -9.0687 7.7510 7.7510 7.9111 7.9111 8.9803 8.9803 9.4705 9.4705 9.5098 9.5098 9.5943 9.5943 12.9441 12.9441 13.3929 13.3929 16.3932 16.3932 16.6862 16.6862 16.7253 16.7253 k = 0.3377 0.3377 0.3377 ( 1412 PWs) bands (ev): -29.3985 -29.3985 -10.4927 -10.4927 -9.0776 -9.0776 -9.0736 -9.0736 7.7523 7.7523 7.9127 7.9127 8.9741 8.9741 9.4995 9.4995 9.5346 9.5346 9.6797 9.6797 12.8632 12.8632 13.3135 13.3135 16.4328 16.4328 16.7778 16.7778 16.8151 16.8151 k = 0.3442 0.3442 0.3442 ( 1418 PWs) bands (ev): -29.3973 -29.3973 -10.4965 -10.4965 -9.0818 -9.0818 -9.0783 -9.0783 7.7545 7.7545 7.9141 7.9141 8.9686 8.9686 9.5278 9.5278 9.5600 9.5600 9.7669 9.7669 12.7830 12.7830 13.2341 13.2341 16.4457 16.4457 16.8722 16.8722 16.9074 16.9074 k = 0.3506 0.3506 0.3506 ( 1418 PWs) bands (ev): -29.3961 -29.3961 -10.5002 -10.5002 -9.0860 -9.0860 -9.0829 -9.0829 7.7578 7.7578 7.9155 7.9155 8.9639 8.9639 9.5562 9.5562 9.5860 9.5860 9.8550 9.8550 12.7036 12.7036 13.1550 13.1550 16.4273 16.4273 16.9693 16.9693 17.0022 17.0022 k = 0.3571 0.3571 0.3571 ( 1421 PWs) bands (ev): -29.3949 -29.3949 -10.5038 -10.5038 -9.0900 -9.0900 -9.0874 -9.0874 7.7622 7.7622 7.9167 7.9167 8.9600 8.9600 9.5848 9.5848 9.6126 9.6126 9.9436 9.9436 12.6253 12.6253 13.0765 13.0765 16.3759 16.3759 17.0687 17.0687 17.0991 17.0991 k = 0.3636 0.3636 0.3636 ( 1415 PWs) bands (ev): -29.3938 -29.3938 -10.5072 -10.5072 -9.0939 -9.0939 -9.0917 -9.0917 7.7677 7.7677 7.9178 7.9178 8.9571 8.9571 9.6138 9.6138 9.6397 9.6397 10.0325 10.0325 12.5482 12.5482 12.9987 12.9987 16.2934 16.2934 17.1701 17.1701 17.1979 17.1979 k = 0.3701 0.3701 0.3701 ( 1415 PWs) bands (ev): -29.3927 -29.3927 -10.5106 -10.5106 -9.0977 -9.0977 -9.0959 -9.0959 7.7742 7.7742 7.9188 7.9188 8.9550 8.9550 9.6431 9.6431 9.6673 9.6673 10.1217 10.1217 12.4726 12.4726 12.9219 12.9219 16.1846 16.1846 17.2733 17.2733 17.2985 17.2985 k = 0.3766 0.3766 0.3766 ( 1403 PWs) bands (ev): -29.3916 -29.3916 -10.5139 -10.5139 -9.1013 -9.1013 -9.0999 -9.0999 7.7816 7.7816 7.9198 7.9198 8.9539 8.9539 9.6726 9.6726 9.6953 9.6953 10.2111 10.2111 12.3987 12.3987 12.8462 12.8462 16.0551 16.0551 17.3781 17.3781 17.4007 17.4007 k = 0.3831 0.3831 0.3831 ( 1403 PWs) bands (ev): -29.3906 -29.3906 -10.5170 -10.5170 -9.1049 -9.1049 -9.1038 -9.1038 7.7898 7.7898 7.9207 7.9207 8.9535 8.9535 9.7024 9.7024 9.7236 9.7236 10.3006 10.3006 12.3267 12.3267 12.7719 12.7719 15.9104 15.9104 17.4841 17.4841 17.5041 17.5041 k = 0.3896 0.3896 0.3896 ( 1403 PWs) bands (ev): -29.3896 -29.3896 -10.5200 -10.5200 -9.1083 -9.1083 -9.1075 -9.1075 7.7989 7.7989 7.9215 7.9215 8.9538 8.9538 9.7323 9.7323 9.7522 9.7522 10.3902 10.3902 12.2570 12.2570 12.6992 12.6992 15.7549 15.7549 17.5910 17.5910 17.6086 17.6086 k = 0.3961 0.3961 0.3961 ( 1403 PWs) bands (ev): -29.3887 -29.3887 -10.5229 -10.5229 -9.1116 -9.1116 -9.1110 -9.1110 7.8085 7.8085 7.9224 7.9224 8.9548 8.9548 9.7622 9.7622 9.7809 9.7809 10.4796 10.4796 12.1898 12.1898 12.6283 12.6283 15.5923 15.5923 17.6987 17.6987 17.7138 17.7138 k = 0.4026 0.4026 0.4026 ( 1412 PWs) bands (ev): -29.3879 -29.3879 -10.5257 -10.5257 -9.1147 -9.1147 -9.1143 -9.1143 7.8187 7.8187 7.9231 7.9231 8.9565 8.9565 9.7922 9.7922 9.8096 9.8096 10.5689 10.5689 12.1255 12.1255 12.5595 12.5595 15.4252 15.4252 17.8066 17.8066 17.8196 17.8196 k = 0.4091 0.4091 0.4091 ( 1406 PWs) bands (ev): -29.3870 -29.3870 -10.5283 -10.5283 -9.1177 -9.1177 -9.1174 -9.1174 7.8292 7.8292 7.9239 7.9239 8.9586 8.9586 9.8220 9.8220 9.8382 9.8382 10.6576 10.6576 12.0646 12.0646 12.4929 12.4929 15.2560 15.2560 17.9147 17.9147 17.9255 17.9255 k = 0.4156 0.4156 0.4156 ( 1406 PWs) bands (ev): -29.3863 -29.3863 -10.5307 -10.5307 -9.1205 -9.1205 -9.1203 -9.1203 7.8399 7.8399 7.9246 7.9246 8.9611 8.9611 9.8515 9.8515 9.8665 9.8665 10.7454 10.7454 12.0076 12.0076 12.4288 12.4288 15.0864 15.0864 18.0223 18.0223 18.0312 18.0312 k = 0.4221 0.4221 0.4221 ( 1406 PWs) bands (ev): -29.3855 -29.3855 -10.5330 -10.5330 -9.1232 -9.1232 -9.1231 -9.1231 7.8506 7.8506 7.9253 7.9253 8.9640 8.9640 9.8806 9.8806 9.8943 9.8943 10.8316 10.8316 11.9554 11.9554 12.3675 12.3675 14.9178 14.9178 18.1292 18.1292 18.1363 18.1363 k = 0.4286 0.4286 0.4286 ( 1394 PWs) bands (ev): -29.3848 -29.3848 -10.5351 -10.5351 -9.1256 -9.1256 -9.1256 -9.1256 7.8612 7.8612 7.9259 7.9259 8.9671 8.9671 9.9091 9.9091 9.9215 9.9215 10.9153 10.9153 11.9089 11.9089 12.3093 12.3093 14.7515 14.7515 18.2348 18.2348 18.2403 18.2403 k = 0.4351 0.4351 0.4351 ( 1397 PWs) bands (ev): -29.3842 -29.3842 -10.5371 -10.5371 -9.1279 -9.1279 -9.1279 -9.1279 7.8715 7.8715 7.9265 7.9265 8.9704 8.9704 9.9366 9.9366 9.9477 9.9477 10.9951 10.9951 11.8694 11.8694 12.2545 12.2545 14.5889 14.5889 18.3385 18.3385 18.3426 18.3426 k = 0.4416 0.4416 0.4416 ( 1400 PWs) bands (ev): -29.3837 -29.3837 -10.5389 -10.5389 -9.1300 -9.1300 -9.1300 -9.1300 7.8814 7.8814 7.9271 7.9271 8.9737 8.9737 9.9631 9.9631 9.9728 9.9728 11.0692 11.0692 11.8387 11.8387 12.2033 12.2033 14.4311 14.4311 18.4395 18.4395 18.4424 18.4424 k = 0.4481 0.4481 0.4481 ( 1400 PWs) bands (ev): -29.3832 -29.3832 -10.5405 -10.5405 -9.1319 -9.1319 -9.1319 -9.1319 7.8907 7.8907 7.9276 7.9276 8.9769 8.9769 9.9881 9.9881 9.9964 9.9964 11.1351 11.1351 11.8190 11.8190 12.1562 12.1562 14.2794 14.2794 18.5371 18.5371 18.5391 18.5391 k = 0.4545 0.4545 0.4545 ( 1394 PWs) bands (ev): -29.3827 -29.3827 -10.5419 -10.5419 -9.1336 -9.1336 -9.1335 -9.1335 7.8992 7.8992 7.9280 7.9280 8.9801 8.9801 10.0114 10.0114 10.0183 10.0183 11.1899 11.1899 11.8124 11.8124 12.1135 12.1135 14.1355 14.1355 18.6302 18.6302 18.6313 18.6313 k = 0.4610 0.4610 0.4610 ( 1394 PWs) bands (ev): -29.3823 -29.3823 -10.5432 -10.5432 -9.1351 -9.1351 -9.1350 -9.1350 7.9069 7.9069 7.9284 7.9284 8.9830 8.9830 10.0327 10.0327 10.0381 10.0381 11.2315 11.2315 11.8202 11.8202 12.0755 12.0755 14.0010 14.0010 18.7173 18.7173 18.7179 18.7179 k = 0.4675 0.4675 0.4675 ( 1382 PWs) bands (ev): -29.3820 -29.3820 -10.5442 -10.5442 -9.1363 -9.1363 -9.1363 -9.1363 7.9136 7.9136 7.9288 7.9288 8.9856 8.9856 10.0516 10.0516 10.0556 10.0556 11.2596 11.2596 11.8414 11.8414 12.0427 12.0427 13.8783 13.8783 18.7969 18.7969 18.7972 18.7972 k = 0.4740 0.4740 0.4740 ( 1376 PWs) bands (ev): -29.3817 -29.3817 -10.5451 -10.5451 -9.1373 -9.1373 -9.1373 -9.1373 7.9193 7.9193 7.9291 7.9291 8.9878 8.9878 10.0677 10.0677 10.0704 10.0704 11.2760 11.2760 11.8720 11.8720 12.0152 12.0152 13.7701 13.7701 18.8670 18.8670 18.8670 18.8670 k = 0.4805 0.4805 0.4805 ( 1376 PWs) bands (ev): -29.3815 -29.3815 -10.5458 -10.5458 -9.1381 -9.1381 -9.1381 -9.1381 7.9237 7.9237 7.9293 7.9293 8.9896 8.9896 10.0806 10.0806 10.0822 10.0822 11.2841 11.2841 11.9058 11.9058 11.9935 11.9935 13.6797 13.6797 18.9252 18.9252 18.9253 18.9253 k = 0.4870 0.4870 0.4870 ( 1376 PWs) bands (ev): -29.3813 -29.3813 -10.5463 -10.5463 -9.1387 -9.1387 -9.1387 -9.1387 7.9270 7.9270 7.9295 7.9295 8.9909 8.9909 10.0901 10.0901 10.0908 10.0908 11.2873 11.2873 11.9363 11.9363 11.9777 11.9777 13.6110 13.6110 18.9693 18.9693 18.9693 18.9693 k = 0.4935 0.4935 0.4935 ( 1376 PWs) bands (ev): -29.3812 -29.3812 -10.5466 -10.5466 -9.1390 -9.1390 -9.1390 -9.1390 7.9289 7.9289 7.9296 7.9296 8.9917 8.9917 10.0959 10.0959 10.0961 10.0961 11.2881 11.2881 11.9575 11.9575 11.9682 11.9682 13.5678 13.5678 18.9969 18.9969 18.9969 18.9969 k = 0.5000 0.5000 0.5000 ( 1376 PWs) bands (ev): -29.3812 -29.3812 -10.5467 -10.5467 -9.1391 -9.1391 -9.1391 -9.1391 7.9296 7.9296 7.9296 7.9296 8.9920 8.9920 10.0979 10.0979 10.0979 10.0979 11.2883 11.2883 11.9650 11.9650 11.9650 11.9650 13.5531 13.5531 19.0063 19.0063 19.0063 19.0063 k = 0.5000 0.5000 0.5000 ( 1376 PWs) bands (ev): -29.3812 -29.3812 -10.5467 -10.5467 -9.1391 -9.1391 -9.1391 -9.1391 7.9296 7.9296 7.9296 7.9296 8.9920 8.9920 10.0979 10.0979 10.0979 10.0979 11.2883 11.2883 11.9650 11.9650 11.9650 11.9650 13.5531 13.5531 19.0063 19.0063 19.0063 19.0063 k = 0.4921 0.5000 0.4921 ( 1376 PWs) bands (ev): -29.3812 -29.3812 -10.5466 -10.5466 -9.1391 -9.1391 -9.1389 -9.1389 7.9290 7.9290 7.9295 7.9295 8.9917 8.9917 10.0952 10.0952 10.0969 10.0969 11.2881 11.2881 11.9578 11.9578 11.9679 11.9679 13.5678 13.5678 18.9924 18.9924 19.0015 19.0015 k = 0.4841 0.5000 0.4841 ( 1376 PWs) bands (ev): -29.3813 -29.3813 -10.5463 -10.5463 -9.1390 -9.1390 -9.1384 -9.1384 7.9271 7.9271 7.9293 7.9293 8.9909 8.9909 10.0872 10.0872 10.0938 10.0938 11.2874 11.2874 11.9375 11.9375 11.9765 11.9765 13.6108 13.6108 18.9522 18.9522 18.9870 18.9870 k = 0.4762 0.5000 0.4762 ( 1376 PWs) bands (ev): -29.3815 -29.3815 -10.5458 -10.5458 -9.1388 -9.1388 -9.1374 -9.1374 7.9241 7.9241 7.9289 7.9289 8.9896 8.9896 10.0741 10.0741 10.0887 10.0887 11.2848 11.2848 11.9080 11.9080 11.9907 11.9907 13.6794 13.6794 18.8894 18.8894 18.9629 18.9629 k = 0.4683 0.5000 0.4683 ( 1376 PWs) bands (ev): -29.3817 -29.3817 -10.5451 -10.5451 -9.1385 -9.1385 -9.1361 -9.1361 7.9199 7.9199 7.9284 7.9284 8.9878 8.9878 10.0563 10.0563 10.0814 10.0814 11.2785 11.2785 11.8745 11.8745 12.0105 12.0105 13.7697 13.7697 18.8088 18.8088 18.9290 18.9290 k = 0.4603 0.5000 0.4603 ( 1388 PWs) bands (ev): -29.3820 -29.3820 -10.5442 -10.5442 -9.1382 -9.1382 -9.1344 -9.1344 7.9145 7.9145 7.9278 7.9278 8.9855 8.9855 10.0344 10.0344 10.0718 10.0718 11.2660 11.2660 11.8429 11.8429 12.0355 12.0355 13.8782 13.8782 18.7145 18.7145 18.8854 18.8854 k = 0.4524 0.5000 0.4524 ( 1392 PWs) bands (ev): -29.3823 -29.3823 -10.5432 -10.5432 -9.1378 -9.1378 -9.1323 -9.1323 7.9081 7.9081 7.9270 7.9270 8.9829 8.9829 10.0088 10.0088 10.0598 10.0598 11.2451 11.2451 11.8181 11.8181 12.0657 12.0657 14.0014 14.0014 18.6103 18.6103 18.8322 18.8322 k = 0.4444 0.5000 0.4444 ( 1400 PWs) bands (ev): -29.3827 -29.3827 -10.5420 -10.5420 -9.1373 -9.1373 -9.1299 -9.1299 7.9007 7.9007 7.9262 7.9262 8.9798 8.9798 9.9802 9.9802 10.0452 10.0452 11.2147 11.2147 11.8036 11.8036 12.1007 12.1007 14.1369 14.1369 18.4989 18.4989 18.7698 18.7698 k = 0.4365 0.5000 0.4365 ( 1400 PWs) bands (ev): -29.3832 -29.3832 -10.5406 -10.5406 -9.1368 -9.1368 -9.1271 -9.1271 7.8924 7.8924 7.9252 7.9252 8.9765 8.9765 9.9489 9.9489 10.0277 10.0277 11.1754 11.1754 11.8004 11.8004 12.1402 12.1402 14.2826 14.2826 18.3823 18.3823 18.6988 18.6988 k = 0.4286 0.5000 0.4286 ( 1400 PWs) bands (ev): -29.3837 -29.3837 -10.5390 -10.5390 -9.1362 -9.1362 -9.1239 -9.1239 7.8832 7.8832 7.9241 7.9241 8.9730 8.9730 9.9157 9.9157 10.0072 10.0072 11.1292 11.1292 11.8077 11.8077 12.1839 12.1839 14.4368 14.4368 18.2621 18.2621 18.6201 18.6201 k = 0.4206 0.5000 0.4206 ( 1398 PWs) bands (ev): -29.3842 -29.3842 -10.5372 -10.5372 -9.1355 -9.1355 -9.1204 -9.1204 7.8732 7.8732 7.9229 7.9229 8.9692 8.9692 9.8808 9.8808 9.9835 9.9835 11.0788 11.0788 11.8237 11.8237 12.2315 12.2315 14.5984 14.5984 18.1393 18.1393 18.5346 18.5346 k = 0.4127 0.5000 0.4127 ( 1398 PWs) bands (ev): -29.3848 -29.3848 -10.5353 -10.5353 -9.1348 -9.1348 -9.1166 -9.1166 7.8626 7.8626 7.9216 7.9216 8.9653 8.9653 9.8447 9.8447 9.9565 9.9565 11.0269 11.0269 11.8462 11.8462 12.2826 12.2826 14.7662 14.7662 18.0147 18.0147 18.4437 18.4437 k = 0.4048 0.5000 0.4048 ( 1398 PWs) bands (ev): -29.3855 -29.3855 -10.5333 -10.5333 -9.1340 -9.1340 -9.1124 -9.1124 7.8515 7.8515 7.9203 7.9203 8.9613 8.9613 9.8078 9.8078 9.9260 9.9260 10.9755 10.9755 11.8735 11.8735 12.3370 12.3370 14.9397 14.9397 17.8890 17.8890 18.3486 18.3486 k = 0.3968 0.5000 0.3968 ( 1394 PWs) bands (ev): -29.3862 -29.3862 -10.5311 -10.5311 -9.1331 -9.1331 -9.1079 -9.1079 7.8400 7.8400 7.9189 7.9189 8.9573 8.9573 9.7703 9.7703 9.8922 9.8922 10.9263 10.9263 11.9040 11.9040 12.3943 12.3943 15.1181 15.1181 17.7626 17.7626 18.2506 18.2506 k = 0.3889 0.5000 0.3889 ( 1402 PWs) bands (ev): -29.3869 -29.3869 -10.5287 -10.5287 -9.1322 -9.1322 -9.1031 -9.1031 7.8281 7.8281 7.9175 7.9175 8.9532 8.9532 9.7324 9.7324 9.8551 9.8551 10.8804 10.8804 11.9365 11.9365 12.4541 12.4541 15.3008 15.3008 17.6358 17.6358 18.1511 18.1511 k = 0.3810 0.5000 0.3810 ( 1402 PWs) bands (ev): -29.3877 -29.3877 -10.5263 -10.5263 -9.1313 -9.1313 -9.0981 -9.0981 7.8160 7.8160 7.9161 7.9161 8.9491 8.9491 9.6944 9.6944 9.8152 9.8152 10.8384 10.8384 11.9698 11.9698 12.5163 12.5163 15.4873 15.4873 17.5090 17.5090 18.0513 18.0513 k = 0.3730 0.5000 0.3730 ( 1402 PWs) bands (ev): -29.3886 -29.3886 -10.5237 -10.5237 -9.1303 -9.1303 -9.0927 -9.0927 7.8038 7.8038 7.9147 7.9147 8.9449 8.9449 9.6563 9.6563 9.7730 9.7730 10.8006 10.8006 12.0032 12.0032 12.5805 12.5805 15.6773 15.6773 17.3824 17.3824 17.9522 17.9522 k = 0.3651 0.5000 0.3651 ( 1402 PWs) bands (ev): -29.3894 -29.3894 -10.5210 -10.5210 -9.1292 -9.1292 -9.0871 -9.0871 7.7916 7.7916 7.9133 7.9133 8.9407 8.9407 9.6181 9.6181 9.7291 9.7291 10.7671 10.7671 12.0358 12.0358 12.6465 12.6465 15.8701 15.8701 17.2562 17.2562 17.8551 17.8551 k = 0.3571 0.5000 0.3571 ( 1402 PWs) bands (ev): -29.3903 -29.3903 -10.5182 -10.5182 -9.1281 -9.1281 -9.0812 -9.0812 7.7795 7.7795 7.9119 7.9119 8.9364 8.9364 9.5798 9.5798 9.6844 9.6844 10.7376 10.7376 12.0668 12.0668 12.7140 12.7140 16.0653 16.0653 17.1305 17.1305 17.7607 17.7607 k = 0.3492 0.5000 0.3492 ( 1406 PWs) bands (ev): -29.3913 -29.3913 -10.5154 -10.5154 -9.1270 -9.1270 -9.0751 -9.0751 7.7676 7.7676 7.9106 7.9106 8.9319 8.9319 9.5412 9.5412 9.6399 9.6399 10.7120 10.7120 12.0956 12.0956 12.7829 12.7829 16.2623 16.2623 17.0056 17.0056 17.6700 17.6700 k = 0.3413 0.5000 0.3413 ( 1406 PWs) bands (ev): -29.3923 -29.3923 -10.5124 -10.5124 -9.1259 -9.1259 -9.0687 -9.0687 7.7561 7.7561 7.9093 7.9093 8.9272 8.9272 9.5020 9.5020 9.5967 9.5967 10.6899 10.6899 12.1215 12.1215 12.8530 12.8530 16.4603 16.4603 16.8815 16.8815 17.5839 17.5839 k = 0.3333 0.5000 0.3333 ( 1406 PWs) bands (ev): -29.3933 -29.3933 -10.5094 -10.5094 -9.1247 -9.1247 -9.0622 -9.0622 7.7450 7.7450 7.9080 7.9080 8.9222 8.9222 9.4621 9.4621 9.5557 9.5557 10.6710 10.6710 12.1439 12.1439 12.9240 12.9240 16.6573 16.6573 16.7593 16.7593 17.5029 17.5029 k = 0.3254 0.5000 0.3254 ( 1418 PWs) bands (ev): -29.3944 -29.3944 -10.5064 -10.5064 -9.1234 -9.1234 -9.0554 -9.0554 7.7343 7.7343 7.9068 7.9068 8.9166 8.9166 9.4215 9.4215 9.5176 9.5176 10.6548 10.6548 12.1622 12.1622 12.9958 12.9958 16.6348 16.6348 16.8561 16.8561 17.4278 17.4278 k = 0.3175 0.5000 0.3175 ( 1418 PWs) bands (ev): -29.3955 -29.3955 -10.5033 -10.5033 -9.1222 -9.1222 -9.0485 -9.0485 7.7243 7.7243 7.9056 7.9056 8.9102 8.9102 9.3806 9.3806 9.4828 9.4828 10.6411 10.6411 12.1760 12.1760 13.0683 13.0683 16.5140 16.5140 17.0486 17.0486 17.3593 17.3593 k = 0.3095 0.5000 0.3095 ( 1414 PWs) bands (ev): -29.3966 -29.3966 -10.5001 -10.5001 -9.1209 -9.1209 -9.0414 -9.0414 7.7149 7.7149 7.9045 7.9045 8.9028 8.9028 9.3402 9.3402 9.4513 9.4513 10.6296 10.6296 12.1847 12.1847 13.1411 13.1411 16.3940 16.3940 17.2316 17.2316 17.2998 17.2998 k = 0.3016 0.5000 0.3016 ( 1414 PWs) bands (ev): -29.3977 -29.3977 -10.4970 -10.4970 -9.1196 -9.1196 -9.0342 -9.0342 7.7062 7.7062 7.9035 7.9035 8.8942 8.8942 9.3012 9.3012 9.4229 9.4229 10.6199 10.6199 12.1880 12.1880 13.2143 13.2143 16.2752 16.2752 17.2404 17.2404 17.4074 17.4074 k = 0.2937 0.5000 0.2937 ( 1406 PWs) bands (ev): -29.3988 -29.3988 -10.4938 -10.4938 -9.1183 -9.1183 -9.0269 -9.0269 7.6982 7.6982 7.9024 7.9024 8.8839 8.8839 9.2644 9.2644 9.3975 9.3975 10.6120 10.6120 12.1855 12.1855 13.2876 13.2876 16.1578 16.1578 17.1936 17.1936 17.5520 17.5520 k = 0.2857 0.5000 0.2857 ( 1404 PWs) bands (ev): -29.3999 -29.3999 -10.4906 -10.4906 -9.1170 -9.1170 -9.0194 -9.0194 7.6911 7.6911 7.9014 7.9014 8.8717 8.8717 9.2305 9.2305 9.3749 9.3749 10.6054 10.6054 12.1771 12.1771 13.3609 13.3609 16.0417 16.0417 17.1538 17.1538 17.6532 17.6532 k = 0.2778 0.5000 0.2778 ( 1404 PWs) bands (ev): -29.4011 -29.4011 -10.4874 -10.4874 -9.1156 -9.1156 -9.0119 -9.0119 7.6848 7.6848 7.9003 7.9003 8.8574 8.8574 9.2002 9.2002 9.3551 9.3551 10.6002 10.6002 12.1625 12.1625 13.4339 13.4339 15.9271 15.9271 17.1214 17.1214 17.6950 17.6950 k = 0.2698 0.5000 0.2698 ( 1408 PWs) bands (ev): -29.4023 -29.4023 -10.4843 -10.4843 -9.1143 -9.1143 -9.0043 -9.0043 7.6795 7.6795 7.8993 7.8993 8.8409 8.8409 9.1737 9.1737 9.3381 9.3381 10.5961 10.5961 12.1419 12.1419 13.5066 13.5066 15.8140 15.8140 17.0964 17.0964 17.6789 17.6789 k = 0.2619 0.5000 0.2619 ( 1402 PWs) bands (ev): -29.4034 -29.4034 -10.4812 -10.4812 -9.1129 -9.1129 -8.9967 -8.9967 7.6750 7.6750 7.8981 7.8981 8.8223 8.8223 9.1510 9.1510 9.3239 9.3239 10.5930 10.5930 12.1151 12.1151 13.5787 13.5787 15.7026 15.7026 17.0786 17.0786 17.6218 17.6218 k = 0.2540 0.5000 0.2540 ( 1402 PWs) bands (ev): -29.4046 -29.4046 -10.4781 -10.4781 -9.1116 -9.1116 -8.9890 -8.9890 7.6714 7.6714 7.8968 7.8968 8.8021 8.8021 9.1319 9.1319 9.3125 9.3125 10.5908 10.5908 12.0824 12.0824 13.6501 13.6501 15.5929 15.5929 17.0676 17.0676 17.5401 17.5401 k = 0.2460 0.5000 0.2460 ( 1402 PWs) bands (ev): -29.4058 -29.4058 -10.4750 -10.4750 -9.1102 -9.1102 -8.9813 -8.9813 7.6687 7.6687 7.8953 7.8953 8.7807 8.7807 9.1161 9.1161 9.3040 9.3040 10.5894 10.5894 12.0441 12.0441 13.7207 13.7207 15.4850 15.4850 17.0630 17.0630 17.4442 17.4442 k = 0.2381 0.5000 0.2381 ( 1402 PWs) bands (ev): -29.4070 -29.4070 -10.4721 -10.4721 -9.1089 -9.1089 -8.9736 -8.9736 7.6670 7.6670 7.8937 7.8937 8.7587 8.7587 9.1032 9.1032 9.2984 9.2984 10.5887 10.5887 12.0003 12.0003 13.7903 13.7903 15.3790 15.3790 17.0640 17.0640 17.3403 17.3403 k = 0.2302 0.5000 0.2302 ( 1400 PWs) bands (ev): -29.4081 -29.4081 -10.4691 -10.4691 -9.1075 -9.1075 -8.9660 -8.9660 7.6661 7.6661 7.8917 7.8917 8.7367 8.7367 9.0926 9.0926 9.2955 9.2955 10.5886 10.5886 11.9515 11.9515 13.8586 13.8586 15.2749 15.2749 17.0695 17.0695 17.2324 17.2324 k = 0.2222 0.5000 0.2222 ( 1400 PWs) bands (ev): -29.4093 -29.4093 -10.4663 -10.4663 -9.1062 -9.1062 -8.9584 -8.9584 7.6661 7.6661 7.8895 7.8895 8.7153 8.7153 9.0841 9.0841 9.2953 9.2953 10.5891 10.5891 11.8981 11.8981 13.9256 13.9256 15.1729 15.1729 17.0707 17.0707 17.1306 17.1306 k = 0.2143 0.5000 0.2143 ( 1412 PWs) bands (ev): -29.4105 -29.4105 -10.4635 -10.4635 -9.1049 -9.1049 -8.9508 -8.9508 7.6669 7.6669 7.8869 7.8869 8.6950 8.6950 9.0773 9.0773 9.2976 9.2976 10.5902 10.5902 11.8405 11.8405 13.9912 13.9912 15.0730 15.0730 16.9947 16.9947 17.1084 17.1084 k = 0.2063 0.5000 0.2063 ( 1406 PWs) bands (ev): -29.4116 -29.4116 -10.4608 -10.4608 -9.1036 -9.1036 -8.9434 -8.9434 7.6685 7.6685 7.8839 7.8839 8.6760 8.6760 9.0721 9.0721 9.3023 9.3023 10.5917 10.5917 11.7792 11.7792 14.0550 14.0550 14.9753 14.9753 16.8830 16.8830 17.1248 17.1248 k = 0.1984 0.5000 0.1984 ( 1406 PWs) bands (ev): -29.4127 -29.4127 -10.4582 -10.4582 -9.1023 -9.1023 -8.9360 -8.9360 7.6708 7.6708 7.8805 7.8805 8.6588 8.6588 9.0684 9.0684 9.3091 9.3091 10.5936 10.5936 11.7147 11.7147 14.1171 14.1171 14.8800 14.8800 16.7688 16.7688 17.1464 17.1464 k = 0.1905 0.5000 0.1905 ( 1406 PWs) bands (ev): -29.4138 -29.4138 -10.4557 -10.4557 -9.1010 -9.1010 -8.9288 -8.9288 7.6738 7.6738 7.8766 7.8766 8.6434 8.6434 9.0660 9.0660 9.3180 9.3180 10.5958 10.5958 11.6474 11.6474 14.1773 14.1773 14.7871 14.7871 16.6544 16.6544 17.1707 17.1707 k = 0.1825 0.5000 0.1825 ( 1398 PWs) bands (ev): -29.4149 -29.4149 -10.4532 -10.4532 -9.0997 -9.0997 -8.9217 -8.9217 7.6774 7.6774 7.8722 7.8722 8.6302 8.6302 9.0651 9.0651 9.3286 9.3286 10.5984 10.5984 11.5778 11.5778 14.2355 14.2355 14.6967 14.6967 16.5407 16.5407 17.1969 17.1969 k = 0.1746 0.5000 0.1746 ( 1394 PWs) bands (ev): -29.4159 -29.4159 -10.4509 -10.4509 -9.0985 -9.0985 -8.9147 -8.9147 7.6815 7.6815 7.8675 7.8675 8.6192 8.6192 9.0654 9.0654 9.3409 9.3409 10.6011 10.6011 11.5064 11.5064 14.2914 14.2914 14.6089 14.6089 16.4281 16.4281 17.2240 17.2240 k = 0.1667 0.5000 0.1667 ( 1394 PWs) bands (ev): -29.4169 -29.4169 -10.4487 -10.4487 -9.0973 -9.0973 -8.9080 -8.9080 7.6860 7.6860 7.8622 7.8622 8.6104 8.6104 9.0671 9.0671 9.3547 9.3547 10.6040 10.6040 11.4337 11.4337 14.3451 14.3451 14.5240 14.5240 16.3172 16.3172 17.2516 17.2516 k = 0.1587 0.5000 0.1587 ( 1394 PWs) bands (ev): -29.4179 -29.4179 -10.4465 -10.4465 -9.0961 -9.0961 -8.9014 -8.9014 7.6908 7.6908 7.8566 7.8566 8.6039 8.6039 9.0701 9.0701 9.3697 9.3697 10.6070 10.6070 11.3602 11.3602 14.3959 14.3959 14.4423 14.4423 16.2083 16.2083 17.2790 17.2790 k = 0.1508 0.5000 0.1508 ( 1402 PWs) bands (ev): -29.4189 -29.4189 -10.4445 -10.4445 -9.0949 -9.0949 -8.8951 -8.8951 7.6959 7.6959 7.8507 7.8507 8.5996 8.5996 9.0744 9.0744 9.3858 9.3858 10.6098 10.6098 11.2864 11.2864 14.3619 14.3619 14.4458 14.4458 16.1017 16.1017 17.3058 17.3058 k = 0.1429 0.5000 0.1429 ( 1402 PWs) bands (ev): -29.4199 -29.4199 -10.4426 -10.4426 -9.0938 -9.0938 -8.8889 -8.8889 7.7012 7.7012 7.8444 7.8444 8.5975 8.5975 9.0799 9.0799 9.4029 9.4029 10.6124 10.6124 11.2128 11.2128 14.2860 14.2860 14.4918 14.4918 15.9979 15.9979 17.3315 17.3315 k = 0.1349 0.5000 0.1349 ( 1410 PWs) bands (ev): -29.4208 -29.4208 -10.4408 -10.4408 -9.0928 -9.0928 -8.8830 -8.8830 7.7065 7.7065 7.8379 7.8379 8.5975 8.5975 9.0866 9.0866 9.4208 9.4208 10.6144 10.6144 11.1400 11.1400 14.2131 14.2131 14.5353 14.5353 15.8972 15.8972 17.3560 17.3560 k = 0.1270 0.5000 0.1270 ( 1410 PWs) bands (ev): -29.4216 -29.4216 -10.4391 -10.4391 -9.0917 -9.0917 -8.8774 -8.8774 7.7119 7.7119 7.8313 7.8313 8.5995 8.5995 9.0945 9.0945 9.4393 9.4393 10.6153 10.6153 11.0688 11.0688 14.1434 14.1434 14.5759 14.5759 15.8000 15.8000 17.3788 17.3788 k = 0.1190 0.5000 0.1190 ( 1410 PWs) bands (ev): -29.4225 -29.4225 -10.4375 -10.4375 -9.0907 -9.0907 -8.8720 -8.8720 7.7172 7.7172 7.8247 7.8247 8.6032 8.6032 9.1035 9.1035 9.4582 9.4582 10.6144 10.6144 11.0004 11.0004 14.0771 14.0771 14.6137 14.6137 15.7068 15.7068 17.3998 17.3998 k = 0.1111 0.5000 0.1111 ( 1414 PWs) bands (ev): -29.4232 -29.4232 -10.4360 -10.4360 -9.0898 -9.0898 -8.8669 -8.8669 7.7223 7.7223 7.8181 7.8181 8.6085 8.6085 9.1135 9.1135 9.4776 9.4776 10.6105 10.6105 10.9360 10.9360 14.0144 14.0144 14.6484 14.6484 15.6180 15.6180 17.4190 17.4190 k = 0.1032 0.5000 0.1032 ( 1412 PWs) bands (ev): -29.4240 -29.4240 -10.4347 -10.4347 -9.0889 -9.0889 -8.8621 -8.8621 7.7272 7.7272 7.8116 7.8116 8.6152 8.6152 9.1245 9.1245 9.4971 9.4971 10.6017 10.6017 10.8782 10.8782 13.9553 13.9553 14.6799 14.6799 15.5340 15.5340 17.4361 17.4361 k = 0.0952 0.5000 0.0952 ( 1412 PWs) bands (ev): -29.4246 -29.4246 -10.4334 -10.4334 -9.0881 -9.0881 -8.8576 -8.8576 7.7318 7.7318 7.8054 7.8054 8.6230 8.6230 9.1362 9.1362 9.5166 9.5166 10.5851 10.5851 10.8298 10.8298 13.9001 13.9001 14.7080 14.7080 15.4554 15.4554 17.4513 17.4513 k = 0.0873 0.5000 0.0873 ( 1412 PWs) bands (ev): -29.4253 -29.4253 -10.4323 -10.4323 -9.0873 -9.0873 -8.8534 -8.8534 7.7360 7.7360 7.7994 7.7994 8.6317 8.6317 9.1488 9.1488 9.5361 9.5361 10.5582 10.5582 10.7938 10.7938 13.8487 13.8487 14.7325 14.7325 15.3828 15.3828 17.4646 17.4646 k = 0.0794 0.5000 0.0794 ( 1404 PWs) bands (ev): -29.4258 -29.4258 -10.4312 -10.4312 -9.0866 -9.0866 -8.8496 -8.8496 7.7398 7.7398 7.7939 7.7939 8.6409 8.6409 9.1618 9.1618 9.5553 9.5553 10.5209 10.5209 10.7705 10.7705 13.8013 13.8013 14.7530 14.7530 15.3168 15.3168 17.4760 17.4760 k = 0.0714 0.5000 0.0714 ( 1404 PWs) bands (ev): -29.4264 -29.4264 -10.4303 -10.4303 -9.0859 -9.0859 -8.8461 -8.8461 7.7432 7.7432 7.7889 7.7889 8.6505 8.6505 9.1752 9.1752 9.5742 9.5742 10.4762 10.4762 10.7573 10.7573 13.7581 13.7581 14.7692 14.7692 15.2581 15.2581 17.4858 17.4858 k = 0.0635 0.5000 0.0635 ( 1404 PWs) bands (ev): -29.4268 -29.4268 -10.4294 -10.4294 -9.0853 -9.0853 -8.8429 -8.8429 7.7460 7.7460 7.7845 7.7845 8.6601 8.6601 9.1888 9.1888 9.5925 9.5925 10.4280 10.4280 10.7507 10.7507 13.7190 13.7190 14.7808 14.7808 15.2074 15.2074 17.4939 17.4939 k = 0.0556 0.5000 0.0556 ( 1404 PWs) bands (ev): -29.4273 -29.4273 -10.4287 -10.4287 -9.0848 -9.0848 -8.8401 -8.8401 7.7481 7.7481 7.7808 7.7808 8.6694 8.6694 9.2022 9.2022 9.6103 9.6103 10.3795 10.3795 10.7480 10.7480 13.6843 13.6843 14.7875 14.7875 15.1653 15.1653 17.5007 17.5007 k = 0.0476 0.5000 0.0476 ( 1412 PWs) bands (ev): -29.4277 -29.4277 -10.4281 -10.4281 -9.0843 -9.0843 -8.8376 -8.8376 7.7496 7.7496 7.7779 7.7779 8.6781 8.6781 9.2151 9.2151 9.6271 9.6271 10.3328 10.3328 10.7474 10.7474 13.6541 13.6541 14.7894 14.7894 15.1319 15.1319 17.5061 17.5061 k = 0.0397 0.5000 0.0397 ( 1412 PWs) bands (ev): -29.4280 -29.4280 -10.4275 -10.4275 -9.0839 -9.0839 -8.8355 -8.8355 7.7505 7.7505 7.7758 7.7758 8.6859 8.6859 9.2271 9.2271 9.6429 9.6429 10.2898 10.2898 10.7480 10.7480 13.6283 13.6283 14.7872 14.7872 15.1069 15.1069 17.5105 17.5105 k = 0.0317 0.5000 0.0317 ( 1412 PWs) bands (ev): -29.4282 -29.4282 -10.4271 -10.4271 -9.0836 -9.0836 -8.8338 -8.8338 7.7507 7.7507 7.7745 7.7745 8.6927 8.6927 9.2377 9.2377 9.6571 9.6571 10.2518 10.2518 10.7491 10.7491 13.6071 13.6071 14.7822 14.7822 15.0893 15.0893 17.5139 17.5139 k = 0.0238 0.5000 0.0238 ( 1412 PWs) bands (ev): -29.4284 -29.4284 -10.4267 -10.4267 -9.0834 -9.0834 -8.8325 -8.8325 7.7506 7.7506 7.7738 7.7738 8.6982 8.6982 9.2466 9.2466 9.6693 9.6693 10.2202 10.2202 10.7503 10.7503 13.5905 13.5905 14.7759 14.7759 15.0778 15.0778 17.5164 17.5164 k = 0.0159 0.5000 0.0159 ( 1412 PWs) bands (ev): -29.4286 -29.4286 -10.4265 -10.4265 -9.0832 -9.0832 -8.8315 -8.8315 7.7504 7.7504 7.7735 7.7735 8.7022 8.7022 9.2533 9.2533 9.6788 9.6788 10.1964 10.1964 10.7513 10.7513 13.5787 13.5787 14.7701 14.7701 15.0707 15.0707 17.5181 17.5181 k = 0.0079 0.5000 0.0079 ( 1406 PWs) bands (ev): -29.4286 -29.4286 -10.4263 -10.4263 -9.0831 -9.0831 -8.8309 -8.8309 7.7501 7.7501 7.7733 7.7733 8.7047 8.7047 9.2574 9.2574 9.6849 9.6849 10.1815 10.1815 10.7520 10.7520 13.5716 13.5716 14.7661 14.7661 15.0670 15.0670 17.5191 17.5191 k = 0.0000 0.5000-0.0000 ( 1406 PWs) bands (ev): -29.4287 -29.4287 -10.4263 -10.4263 -9.0830 -9.0830 -8.8308 -8.8308 7.7500 7.7500 7.7733 7.7733 8.7055 8.7055 9.2588 9.2588 9.6870 9.6870 10.1764 10.1764 10.7522 10.7522 13.5692 13.5692 14.7647 14.7647 15.0658 15.0658 17.5194 17.5194 k = 0.5000 0.5000-0.0000 ( 1372 PWs) bands (ev): -29.4052 -29.4052 -10.4817 -10.4817 -9.1707 -9.1707 -8.8988 -8.8988 7.3396 7.3396 7.4948 7.4948 8.4223 8.4223 8.8465 8.8465 9.9928 9.9928 10.8635 10.8635 13.4328 13.4328 13.9647 13.9647 15.0138 15.0138 17.2693 17.2693 17.3686 17.3686 k = 0.5000 0.5000 0.0111 ( 1372 PWs) bands (ev): -29.4052 -29.4052 -10.4818 -10.4818 -9.1707 -9.1707 -8.8991 -8.8991 7.3409 7.3409 7.4955 7.4955 8.4229 8.4229 8.8466 8.8466 9.9929 9.9929 10.8637 10.8637 13.4292 13.4292 13.9607 13.9607 15.0162 15.0162 17.2738 17.2738 17.3734 17.3734 k = 0.5000 0.5000 0.0222 ( 1372 PWs) bands (ev): -29.4051 -29.4051 -10.4819 -10.4819 -9.1706 -9.1706 -8.9000 -8.9000 7.3447 7.3447 7.4975 7.4975 8.4247 8.4247 8.8469 8.8469 9.9932 9.9932 10.8644 10.8644 13.4184 13.4184 13.9489 13.9489 15.0235 15.0235 17.2872 17.2872 17.3876 17.3876 k = 0.5000 0.5000 0.0333 ( 1384 PWs) bands (ev): -29.4050 -29.4050 -10.4823 -10.4823 -9.1704 -9.1704 -8.9017 -8.9017 7.3511 7.3511 7.5009 7.5009 8.4278 8.4278 8.8473 8.8473 9.9937 9.9937 10.8657 10.8657 13.4007 13.4007 13.9295 13.9295 15.0356 15.0356 17.3093 17.3093 17.4109 17.4109 k = 0.5000 0.5000 0.0444 ( 1384 PWs) bands (ev): -29.4048 -29.4048 -10.4827 -10.4827 -9.1701 -9.1701 -8.9039 -8.9039 7.3599 7.3599 7.5056 7.5056 8.4321 8.4321 8.8480 8.8480 9.9944 9.9944 10.8674 10.8674 13.3764 13.3764 13.9029 13.9029 15.0526 15.0526 17.3399 17.3399 17.4432 17.4432 k = 0.5000 0.5000 0.0556 ( 1400 PWs) bands (ev): -29.4046 -29.4046 -10.4833 -10.4833 -9.1698 -9.1698 -8.9067 -8.9067 7.3711 7.3711 7.5115 7.5115 8.4378 8.4378 8.8488 8.8488 9.9953 9.9953 10.8696 10.8696 13.3458 13.3458 13.8695 13.8695 15.0744 15.0744 17.3785 17.3785 17.4838 17.4838 k = 0.5000 0.5000 0.0667 ( 1392 PWs) bands (ev): -29.4043 -29.4043 -10.4840 -10.4840 -9.1694 -9.1694 -8.9102 -8.9102 7.3845 7.3845 7.5186 7.5186 8.4450 8.4450 8.8498 8.8498 9.9964 9.9964 10.8723 10.8723 13.3094 13.3094 13.8300 13.8300 15.1011 15.1011 17.4249 17.4249 17.5323 17.5323 k = 0.5000 0.5000 0.0778 ( 1392 PWs) bands (ev): -29.4039 -29.4039 -10.4848 -10.4848 -9.1689 -9.1689 -8.9142 -8.9142 7.4001 7.4001 7.5270 7.5270 8.4537 8.4537 8.8511 8.8511 9.9976 9.9976 10.8755 10.8755 13.2677 13.2677 13.7848 13.7848 15.1327 15.1327 17.4783 17.4783 17.5880 17.5880 k = 0.5000 0.5000 0.0889 ( 1392 PWs) bands (ev): -29.4035 -29.4035 -10.4857 -10.4857 -9.1683 -9.1683 -8.9187 -8.9187 7.4178 7.4178 7.5364 7.5364 8.4641 8.4641 8.8525 8.8525 9.9991 9.9991 10.8792 10.8792 13.2212 13.2212 13.7347 13.7347 15.1691 15.1691 17.5382 17.5382 17.6503 17.6503 k = 0.5000 0.5000 0.1000 ( 1404 PWs) bands (ev): -29.4031 -29.4031 -10.4868 -10.4868 -9.1677 -9.1677 -8.9238 -8.9238 7.4372 7.4372 7.5468 7.5468 8.4764 8.4764 8.8542 8.8542 10.0008 10.0008 10.8834 10.8834 13.1706 13.1706 13.6803 13.6803 15.2104 15.2104 17.6042 17.6042 17.7187 17.7187 k = 0.5000 0.5000 0.1111 ( 1404 PWs) bands (ev): -29.4025 -29.4025 -10.4880 -10.4880 -9.1671 -9.1671 -8.9294 -8.9294 7.4583 7.4583 7.5582 7.5582 8.4907 8.4907 8.8561 8.8561 10.0026 10.0026 10.8881 10.8881 13.1163 13.1163 13.6223 13.6223 15.2567 15.2567 17.6755 17.6755 17.7924 17.7924 k = 0.5000 0.5000 0.1222 ( 1404 PWs) bands (ev): -29.4020 -29.4020 -10.4893 -10.4893 -9.1663 -9.1663 -8.9354 -8.9354 7.4807 7.4807 7.5705 7.5705 8.5072 8.5072 8.8582 8.8582 10.0047 10.0047 10.8932 10.8932 13.0589 13.0589 13.5611 13.5611 15.3078 15.3078 17.7517 17.7517 17.8709 17.8709 k = 0.5000 0.5000 0.1333 ( 1404 PWs) bands (ev): -29.4014 -29.4014 -10.4907 -10.4907 -9.1655 -9.1655 -8.9419 -8.9419 7.5043 7.5043 7.5835 7.5835 8.5261 8.5261 8.8606 8.8606 10.0069 10.0069 10.8989 10.8989 12.9990 12.9990 13.4974 13.4974 15.3639 15.3639 17.8321 17.8321 17.9537 17.9537 k = 0.5000 0.5000 0.1444 ( 1408 PWs) bands (ev): -29.4007 -29.4007 -10.4922 -10.4922 -9.1647 -9.1647 -8.9488 -8.9488 7.5288 7.5288 7.5972 7.5972 8.5476 8.5476 8.8632 8.8632 10.0093 10.0093 10.9051 10.9051 12.9370 12.9370 13.4317 13.4317 15.4249 15.4249 17.9160 17.9160 18.0402 18.0402 k = 0.5000 0.5000 0.1556 ( 1408 PWs) bands (ev): -29.4001 -29.4001 -10.4938 -10.4938 -9.1638 -9.1638 -8.9560 -8.9560 7.5539 7.5539 7.6114 7.6114 8.5720 8.5720 8.8661 8.8661 10.0118 10.0118 10.9118 10.9118 12.8734 12.8734 13.3645 13.3645 15.4909 15.4909 18.0021 18.0021 18.1300 18.1300 k = 0.5000 0.5000 0.1667 ( 1408 PWs) bands (ev): -29.3994 -29.3994 -10.4955 -10.4955 -9.1629 -9.1629 -8.9635 -8.9635 7.5792 7.5792 7.6262 7.6262 8.5995 8.5995 8.8693 8.8693 10.0146 10.0146 10.9190 10.9190 12.8086 12.8086 13.2962 13.2962 15.5618 15.5618 18.0878 18.0878 18.2226 18.2226 k = 0.5000 0.5000 0.1778 ( 1408 PWs) bands (ev): -29.3986 -29.3986 -10.4974 -10.4974 -9.1619 -9.1619 -8.9712 -8.9712 7.6046 7.6046 7.6413 7.6413 8.6304 8.6304 8.8727 8.8727 10.0175 10.0175 10.9268 10.9268 12.7431 12.7431 13.2273 13.2273 15.6376 15.6376 18.1563 18.1563 18.3176 18.3176 k = 0.5000 0.5000 0.1889 ( 1408 PWs) bands (ev): -29.3979 -29.3979 -10.4993 -10.4993 -9.1609 -9.1609 -8.9792 -8.9792 7.6296 7.6296 7.6567 7.6567 8.6647 8.6647 8.8763 8.8763 10.0205 10.0205 10.9351 10.9351 12.6773 12.6773 13.1580 13.1580 15.7184 15.7184 18.0870 18.0870 18.3314 18.3314 k = 0.5000 0.5000 0.2000 ( 1400 PWs) bands (ev): -29.3970 -29.3970 -10.5012 -10.5012 -9.1599 -9.1599 -8.9874 -8.9874 7.6542 7.6542 7.6723 7.6723 8.7027 8.7027 8.8803 8.8803 10.0237 10.0237 10.9440 10.9440 12.6114 12.6114 13.0888 13.0888 15.8041 15.8041 17.9016 17.9016 18.4107 18.4107 k = 0.5000 0.5000 0.2111 ( 1408 PWs) bands (ev): -29.3963 -29.3963 -10.5033 -10.5033 -9.1588 -9.1588 -8.9957 -8.9957 7.6779 7.6779 7.6879 7.6879 8.7445 8.7445 8.8845 8.8845 10.0269 10.0269 10.9535 10.9535 12.5459 12.5459 13.0200 13.0200 15.8947 15.8947 17.7009 17.7009 18.5060 18.5060 k = 0.5000 0.5000 0.2222 ( 1408 PWs) bands (ev): -29.3954 -29.3954 -10.5054 -10.5054 -9.1577 -9.1577 -9.0040 -9.0040 7.7007 7.7007 7.7036 7.7036 8.7901 8.7901 8.8889 8.8889 10.0304 10.0304 10.9636 10.9636 12.4811 12.4811 12.9517 12.9517 15.9901 15.9901 17.4969 17.4969 18.6057 18.6057 k = 0.5000 0.5000 0.2333 ( 1408 PWs) bands (ev): -29.3946 -29.3946 -10.5076 -10.5076 -9.1566 -9.1566 -9.0125 -9.0125 7.7191 7.7191 7.7223 7.7223 8.8396 8.8396 8.8936 8.8936 10.0339 10.0339 10.9744 10.9744 12.4172 12.4172 12.8844 12.8844 16.0904 16.0904 17.2918 17.2918 18.7073 18.7073 k = 0.5000 0.5000 0.2444 ( 1412 PWs) bands (ev): -29.3938 -29.3938 -10.5098 -10.5098 -9.1555 -9.1555 -9.0209 -9.0209 7.7345 7.7345 7.7427 7.7427 8.8928 8.8928 8.8984 8.8984 10.0374 10.0374 10.9858 10.9858 12.3545 12.3545 12.8181 12.8181 16.1954 16.1954 17.0865 17.0865 18.8088 18.8088 k = 0.5000 0.5000 0.2556 ( 1420 PWs) bands (ev): -29.3930 -29.3930 -10.5121 -10.5121 -9.1544 -9.1544 -9.0293 -9.0293 7.7496 7.7496 7.7618 7.7618 8.9035 8.9035 8.9496 8.9496 10.0411 10.0411 10.9981 10.9981 12.2934 12.2934 12.7533 12.7533 16.3050 16.3050 16.8818 16.8818 18.9000 18.9000 k = 0.5000 0.5000 0.2667 ( 1412 PWs) bands (ev): -29.3921 -29.3921 -10.5143 -10.5143 -9.1533 -9.1533 -9.0376 -9.0376 7.7644 7.7644 7.7796 7.7796 8.9088 8.9088 9.0097 9.0097 10.0448 10.0448 11.0111 11.0111 12.2340 12.2340 12.6899 12.6899 16.4193 16.4193 16.6779 16.6779 18.9326 18.9326 k = 0.5000 0.5000 0.2778 ( 1412 PWs) bands (ev): -29.3913 -29.3913 -10.5166 -10.5166 -9.1522 -9.1522 -9.0458 -9.0458 7.7787 7.7787 7.7960 7.7960 8.9141 8.9141 9.0730 9.0730 10.0485 10.0485 11.0251 11.0251 12.1768 12.1768 12.6283 12.6283 16.4753 16.4753 16.5380 16.5380 18.9414 18.9414 k = 0.5000 0.5000 0.2889 ( 1412 PWs) bands (ev): -29.3905 -29.3905 -10.5189 -10.5189 -9.1511 -9.1511 -9.0538 -9.0538 7.7927 7.7927 7.8112 7.8112 8.9196 8.9196 9.1390 9.1390 10.0523 10.0523 11.0399 11.0399 12.1219 12.1219 12.5687 12.5687 16.2743 16.2743 16.6611 16.6611 18.9477 18.9477 k = 0.5000 0.5000 0.3000 ( 1404 PWs) bands (ev): -29.3896 -29.3896 -10.5212 -10.5212 -9.1501 -9.1501 -9.0617 -9.0617 7.8061 7.8061 7.8252 7.8252 8.9252 8.9252 9.2072 9.2072 10.0560 10.0560 11.0558 11.0558 12.0697 12.0697 12.5111 12.5111 16.0752 16.0752 16.7883 16.7883 18.9532 18.9532 k = 0.5000 0.5000 0.3111 ( 1404 PWs) bands (ev): -29.3888 -29.3888 -10.5235 -10.5235 -9.1490 -9.1490 -9.0693 -9.0693 7.8189 7.8189 7.8380 7.8380 8.9308 8.9308 9.2773 9.2773 10.0597 10.0597 11.0728 11.0728 12.0204 12.0204 12.4557 12.4557 15.8784 15.8784 16.9195 16.9195 18.9584 18.9584 k = 0.5000 0.5000 0.3222 ( 1404 PWs) bands (ev): -29.3881 -29.3881 -10.5257 -10.5257 -9.1480 -9.1480 -9.0766 -9.0766 7.8312 7.8312 7.8496 7.8496 8.9364 8.9364 9.3486 9.3486 10.0634 10.0634 11.0908 11.0908 11.9745 11.9745 12.4027 12.4027 15.6842 15.6842 17.0544 17.0544 18.9634 18.9634 k = 0.5000 0.5000 0.3333 ( 1404 PWs) bands (ev): -29.3873 -29.3873 -10.5279 -10.5279 -9.1471 -9.1471 -9.0837 -9.0837 7.8428 7.8428 7.8603 7.8603 8.9419 8.9419 9.4206 9.4206 10.0670 10.0670 11.1099 11.1099 11.9324 11.9324 12.3523 12.3523 15.4930 15.4930 17.1928 17.1928 18.9681 18.9681 k = 0.5000 0.5000 0.3444 ( 1404 PWs) bands (ev): -29.3866 -29.3866 -10.5301 -10.5301 -9.1461 -9.1461 -9.0904 -9.0904 7.8538 7.8538 7.8700 7.8700 8.9474 8.9474 9.4925 9.4925 10.0705 10.0705 11.1300 11.1300 11.8945 11.8945 12.3044 12.3044 15.3052 15.3052 17.3343 17.3343 18.9726 18.9726 k = 0.5000 0.5000 0.3556 ( 1412 PWs) bands (ev): -29.3860 -29.3860 -10.5321 -10.5321 -9.1452 -9.1452 -9.0968 -9.0968 7.8641 7.8641 7.8788 7.8788 8.9527 8.9527 9.5636 9.5636 10.0738 10.0738 11.1510 11.1510 11.8615 11.8615 12.2593 12.2593 15.1212 15.1212 17.4784 17.4784 18.9769 18.9769 k = 0.5000 0.5000 0.3667 ( 1412 PWs) bands (ev): -29.3853 -29.3853 -10.5341 -10.5341 -9.1444 -9.1444 -9.1028 -9.1028 7.8736 7.8736 7.8867 7.8867 8.9579 8.9579 9.6331 9.6331 10.0771 10.0771 11.1724 11.1724 11.8340 11.8340 12.2171 12.2171 14.9415 14.9415 17.6248 17.6248 18.9810 18.9810 k = 0.5000 0.5000 0.3778 ( 1396 PWs) bands (ev): -29.3846 -29.3846 -10.5359 -10.5359 -9.1436 -9.1436 -9.1084 -9.1084 7.8825 7.8825 7.8939 7.8939 8.9628 8.9628 9.7003 9.7003 10.0801 10.0801 11.1939 11.1939 11.8130 11.8130 12.1779 12.1779 14.7668 14.7668 17.7727 17.7727 18.9849 18.9849 k = 0.5000 0.5000 0.3889 ( 1396 PWs) bands (ev): -29.3841 -29.3841 -10.5377 -10.5377 -9.1428 -9.1428 -9.1136 -9.1136 7.8906 7.8906 7.9003 7.9003 8.9675 8.9675 9.7643 9.7643 10.0830 10.0830 11.2146 11.2146 11.7992 11.7992 12.1418 12.1418 14.5976 14.5976 17.9215 17.9215 18.9884 18.9884 k = 0.5000 0.5000 0.4000 ( 1400 PWs) bands (ev): -29.3836 -29.3836 -10.5393 -10.5393 -9.1422 -9.1422 -9.1183 -9.1183 7.8980 7.8980 7.9060 7.9060 8.9718 8.9718 9.8243 9.8243 10.0857 10.0857 11.2337 11.2337 11.7937 11.7937 12.1088 12.1088 14.4350 14.4350 18.0701 18.0701 18.9917 18.9917 k = 0.5000 0.5000 0.4111 ( 1392 PWs) bands (ev): -29.3831 -29.3831 -10.5408 -10.5408 -9.1415 -9.1415 -9.1226 -9.1226 7.9046 7.9046 7.9111 7.9111 8.9758 8.9758 9.8796 9.8796 10.0881 10.0881 11.2503 11.2503 11.7970 11.7970 12.0790 12.0790 14.2799 14.2799 18.2174 18.2174 18.9947 18.9947 k = 0.5000 0.5000 0.4222 ( 1392 PWs) bands (ev): -29.3827 -29.3827 -10.5421 -10.5421 -9.1410 -9.1410 -9.1264 -9.1264 7.9104 7.9104 7.9155 7.9155 8.9795 8.9795 9.9295 9.9295 10.0903 10.0903 11.2637 11.2637 11.8093 11.8093 12.0526 12.0526 14.1337 14.1337 18.3616 18.3616 18.9973 18.9973 k = 0.5000 0.5000 0.4333 ( 1392 PWs) bands (ev): -29.3823 -29.3823 -10.5433 -10.5433 -9.1405 -9.1405 -9.1298 -9.1298 7.9155 7.9155 7.9193 7.9193 8.9827 8.9827 9.9735 9.9735 10.0923 10.0923 11.2737 11.2737 11.8297 11.8297 12.0295 12.0295 13.9979 13.9979 18.5008 18.5008 18.9997 18.9997 k = 0.5000 0.5000 0.4444 ( 1384 PWs) bands (ev): -29.3820 -29.3820 -10.5443 -10.5443 -9.1401 -9.1401 -9.1326 -9.1326 7.9198 7.9198 7.9225 7.9225 8.9855 8.9855 10.0112 10.0112 10.0940 10.0940 11.2804 11.2804 11.8563 11.8563 12.0099 12.0099 13.8748 13.8748 18.6322 18.6322 19.0017 19.0017 k = 0.5000 0.5000 0.4556 ( 1376 PWs) bands (ev): -29.3817 -29.3817 -10.5451 -10.5451 -9.1397 -9.1397 -9.1349 -9.1349 7.9233 7.9233 7.9250 7.9250 8.9878 8.9878 10.0423 10.0423 10.0954 10.0954 11.2845 11.2845 11.8864 11.8864 11.9938 11.9938 13.7669 13.7669 18.7519 18.7519 19.0033 19.0033 k = 0.5000 0.5000 0.4667 ( 1376 PWs) bands (ev): -29.3815 -29.3815 -10.5458 -10.5458 -9.1395 -9.1395 -9.1368 -9.1368 7.9261 7.9261 7.9270 7.9270 8.9896 8.9896 10.0666 10.0666 10.0965 10.0965 11.2867 11.2867 11.9162 11.9162 11.9813 11.9813 13.6774 13.6774 18.8552 18.8552 19.0046 19.0046 k = 0.5000 0.5000 0.4778 ( 1376 PWs) bands (ev): -29.3813 -29.3813 -10.5463 -10.5463 -9.1393 -9.1393 -9.1381 -9.1381 7.9280 7.9280 7.9285 7.9285 8.9909 8.9909 10.0840 10.0840 10.0972 10.0972 11.2878 11.2878 11.9417 11.9417 11.9723 11.9723 13.6098 13.6098 18.9361 18.9361 19.0055 19.0055 k = 0.5000 0.5000 0.4889 ( 1376 PWs) bands (ev): -29.3812 -29.3812 -10.5466 -10.5466 -9.1392 -9.1392 -9.1389 -9.1389 7.9292 7.9292 7.9293 7.9293 8.9917 8.9917 10.0944 10.0944 10.0977 10.0977 11.2882 11.2882 11.9589 11.9589 11.9669 11.9669 13.5675 13.5675 18.9882 18.9882 19.0061 19.0061 k = 0.5000 0.5000 0.5000 ( 1376 PWs) bands (ev): -29.3812 -29.3812 -10.5467 -10.5467 -9.1391 -9.1391 -9.1391 -9.1391 7.9296 7.9296 7.9296 7.9296 8.9920 8.9920 10.0979 10.0979 10.0979 10.0979 11.2883 11.2883 11.9650 11.9650 11.9650 11.9650 13.5531 13.5531 19.0063 19.0063 19.0063 19.0063 Writing output data file YAu.save init_run : 0.18s CPU 0.28s WALL ( 1 calls) electrons : 42.74s CPU 43.90s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 42.73s CPU 43.89s 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 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.02s WALL ( 344 calls) cegterg : 38.96s CPU 39.81s WALL ( 359 calls) Called by sum_band: Called by *egterg: h_psi : 18.30s CPU 18.85s WALL ( 5585 calls) s_psi : 0.86s CPU 1.00s WALL ( 5585 calls) g_psi : 0.06s CPU 0.05s WALL ( 4882 calls) cdiaghg : 19.33s CPU 19.83s WALL ( 5226 calls) cegterg:over : 1.46s CPU 1.36s WALL ( 4882 calls) cegterg:upda : 0.97s CPU 0.90s WALL ( 4882 calls) cegterg:last : 0.51s CPU 0.47s WALL ( 1063 calls) cdiaghg:chol : 0.96s CPU 0.98s WALL ( 5226 calls) cdiaghg:inve : 0.48s CPU 0.53s WALL ( 5226 calls) cdiaghg:para : 1.08s CPU 1.10s WALL ( 10452 calls) Called by h_psi: h_psi:vloc : 16.16s CPU 16.54s WALL ( 5585 calls) h_psi:vnl : 2.13s CPU 2.28s WALL ( 5585 calls) add_vuspsi : 1.33s CPU 1.34s WALL ( 5585 calls) General routines calbec : 0.79s CPU 0.93s WALL ( 5585 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 14.77s CPU 15.22s WALL ( 456948 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.06s CPU 0.08s WALL ( 688 calls) Parallel routines fft_scatter : 8.47s CPU 8.55s WALL ( 456971 calls) PWSCF : 50.18s CPU 57.49s WALL This run was terminated on: 13:37:56 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=