Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21: 3:12 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: ./SiOs.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 18 15 4 362 265 46 Max 19 16 5 367 280 51 Sum 673 553 177 13133 9771 1743 bravais-lattice index = 14 lattice parameter (alat) = 5.5936 a.u. unit-cell volume = 175.0135 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 20.00 number of Kohn-Sham states= 28 kinetic-energy cutoff = 55.0000 Ry charge density cutoff = 270.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.593589 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 Os read from file: /users/gautes/Pseudo/Os.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 1bcb72221b6b17e70f20dab4cda9aff7 Pseudo is Ultrasoft + core correction, Zval = 16.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1275 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 Si read from file: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 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 Os 16.00 190.23000 Os( 1.00) Si 4.00 28.08550 Si( 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= 412 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024272 k( 2) = ( 0.0000000 0.0092593 -0.0000000), wk = 0.0024272 k( 3) = ( 0.0000000 0.0185185 -0.0000000), wk = 0.0024272 k( 4) = ( 0.0000000 0.0277778 -0.0000000), wk = 0.0024272 k( 5) = ( 0.0000000 0.0370370 -0.0000000), wk = 0.0024272 k( 6) = ( 0.0000000 0.0462963 -0.0000000), wk = 0.0024272 k( 7) = ( 0.0000000 0.0555556 -0.0000000), wk = 0.0024272 k( 8) = ( 0.0000000 0.0648148 -0.0000000), wk = 0.0024272 k( 9) = ( 0.0000000 0.0740741 -0.0000000), wk = 0.0024272 k( 10) = ( 0.0000000 0.0833333 -0.0000000), wk = 0.0024272 k( 11) = ( 0.0000000 0.0925926 -0.0000000), wk = 0.0024272 k( 12) = ( 0.0000000 0.1018518 -0.0000000), wk = 0.0024272 k( 13) = ( 0.0000000 0.1111111 -0.0000000), wk = 0.0024272 k( 14) = ( 0.0000000 0.1203704 -0.0000000), wk = 0.0024272 k( 15) = ( 0.0000000 0.1296296 -0.0000000), wk = 0.0024272 k( 16) = ( 0.0000000 0.1388889 -0.0000000), wk = 0.0024272 k( 17) = ( 0.0000000 0.1481482 -0.0000000), wk = 0.0024272 k( 18) = ( 0.0000000 0.1574074 -0.0000000), wk = 0.0024272 k( 19) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0024272 k( 20) = ( 0.0000000 0.1759259 -0.0000000), wk = 0.0024272 k( 21) = ( 0.0000000 0.1851852 -0.0000000), wk = 0.0024272 k( 22) = ( 0.0000000 0.1944444 -0.0000000), wk = 0.0024272 k( 23) = ( 0.0000000 0.2037037 -0.0000000), wk = 0.0024272 k( 24) = ( 0.0000000 0.2129630 -0.0000000), wk = 0.0024272 k( 25) = ( 0.0000000 0.2222222 -0.0000000), wk = 0.0024272 k( 26) = ( 0.0000000 0.2314815 -0.0000000), wk = 0.0024272 k( 27) = ( 0.0000000 0.2407407 -0.0000000), wk = 0.0024272 k( 28) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0024272 k( 29) = ( 0.0000000 0.2592593 -0.0000000), wk = 0.0024272 k( 30) = ( 0.0000000 0.2685185 -0.0000000), wk = 0.0024272 k( 31) = ( 0.0000000 0.2777778 -0.0000000), wk = 0.0024272 k( 32) = ( 0.0000000 0.2870370 -0.0000000), wk = 0.0024272 k( 33) = ( 0.0000000 0.2962963 -0.0000000), wk = 0.0024272 k( 34) = ( 0.0000000 0.3055556 -0.0000000), wk = 0.0024272 k( 35) = ( 0.0000000 0.3148148 -0.0000000), wk = 0.0024272 k( 36) = ( 0.0000000 0.3240741 -0.0000000), wk = 0.0024272 k( 37) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0024272 k( 38) = ( 0.0000000 0.3425926 -0.0000000), wk = 0.0024272 k( 39) = ( 0.0000000 0.3518519 -0.0000000), wk = 0.0024272 k( 40) = ( 0.0000000 0.3611111 -0.0000000), wk = 0.0024272 k( 41) = ( 0.0000000 0.3703704 -0.0000000), wk = 0.0024272 k( 42) = ( 0.0000000 0.3796296 -0.0000000), wk = 0.0024272 k( 43) = ( 0.0000000 0.3888889 -0.0000000), wk = 0.0024272 k( 44) = ( 0.0000000 0.3981481 -0.0000000), wk = 0.0024272 k( 45) = ( 0.0000000 0.4074074 -0.0000000), wk = 0.0024272 k( 46) = ( 0.0000000 0.4166667 -0.0000000), wk = 0.0024272 k( 47) = ( 0.0000000 0.4259259 -0.0000000), wk = 0.0024272 k( 48) = ( 0.0000000 0.4351852 -0.0000000), wk = 0.0024272 k( 49) = ( 0.0000000 0.4444444 -0.0000000), wk = 0.0024272 k( 50) = ( 0.0000000 0.4537037 -0.0000000), wk = 0.0024272 k( 51) = ( 0.0000000 0.4629630 -0.0000000), wk = 0.0024272 k( 52) = ( 0.0000000 0.4722222 -0.0000000), wk = 0.0024272 k( 53) = ( 0.0000000 0.4814815 -0.0000000), wk = 0.0024272 k( 54) = ( 0.0000000 0.4907407 -0.0000000), wk = 0.0024272 k( 55) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0024272 k( 56) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0024272 k( 57) = ( 0.0092593 0.5000000 -0.0000000), wk = 0.0024272 k( 58) = ( 0.0185185 0.5000000 -0.0000000), wk = 0.0024272 k( 59) = ( 0.0277778 0.5000000 -0.0000000), wk = 0.0024272 k( 60) = ( 0.0370370 0.5000000 -0.0000000), wk = 0.0024272 k( 61) = ( 0.0462963 0.5000000 -0.0000000), wk = 0.0024272 k( 62) = ( 0.0555556 0.5000000 -0.0000000), wk = 0.0024272 k( 63) = ( 0.0648148 0.5000000 -0.0000000), wk = 0.0024272 k( 64) = ( 0.0740741 0.5000000 -0.0000000), wk = 0.0024272 k( 65) = ( 0.0833333 0.5000000 -0.0000000), wk = 0.0024272 k( 66) = ( 0.0925926 0.5000000 -0.0000000), wk = 0.0024272 k( 67) = ( 0.1018518 0.5000000 -0.0000000), wk = 0.0024272 k( 68) = ( 0.1111111 0.5000000 -0.0000000), wk = 0.0024272 k( 69) = ( 0.1203704 0.5000000 -0.0000000), wk = 0.0024272 k( 70) = ( 0.1296296 0.5000000 -0.0000000), wk = 0.0024272 k( 71) = ( 0.1388889 0.5000000 -0.0000000), wk = 0.0024272 k( 72) = ( 0.1481482 0.5000000 -0.0000000), wk = 0.0024272 k( 73) = ( 0.1574074 0.5000000 -0.0000000), wk = 0.0024272 k( 74) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0024272 k( 75) = ( 0.1759259 0.5000000 -0.0000000), wk = 0.0024272 k( 76) = ( 0.1851852 0.5000000 -0.0000000), wk = 0.0024272 k( 77) = ( 0.1944444 0.5000000 -0.0000000), wk = 0.0024272 k( 78) = ( 0.2037037 0.5000000 -0.0000000), wk = 0.0024272 k( 79) = ( 0.2129630 0.5000000 -0.0000000), wk = 0.0024272 k( 80) = ( 0.2222222 0.5000000 -0.0000000), wk = 0.0024272 k( 81) = ( 0.2314815 0.5000000 -0.0000000), wk = 0.0024272 k( 82) = ( 0.2407407 0.5000000 -0.0000000), wk = 0.0024272 k( 83) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0024272 k( 84) = ( 0.2592593 0.5000000 -0.0000000), wk = 0.0024272 k( 85) = ( 0.2685185 0.5000000 -0.0000000), wk = 0.0024272 k( 86) = ( 0.2777778 0.5000000 -0.0000000), wk = 0.0024272 k( 87) = ( 0.2870370 0.5000000 -0.0000000), wk = 0.0024272 k( 88) = ( 0.2962963 0.5000000 -0.0000000), wk = 0.0024272 k( 89) = ( 0.3055556 0.5000000 -0.0000000), wk = 0.0024272 k( 90) = ( 0.3148148 0.5000000 -0.0000000), wk = 0.0024272 k( 91) = ( 0.3240741 0.5000000 -0.0000000), wk = 0.0024272 k( 92) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0024272 k( 93) = ( 0.3425926 0.5000000 -0.0000000), wk = 0.0024272 k( 94) = ( 0.3518519 0.5000000 -0.0000000), wk = 0.0024272 k( 95) = ( 0.3611111 0.5000000 -0.0000000), wk = 0.0024272 k( 96) = ( 0.3703704 0.5000000 -0.0000000), wk = 0.0024272 k( 97) = ( 0.3796296 0.5000000 -0.0000000), wk = 0.0024272 k( 98) = ( 0.3888889 0.5000000 -0.0000000), wk = 0.0024272 k( 99) = ( 0.3981481 0.5000000 -0.0000000), wk = 0.0024272 k( 100) = ( 0.4074074 0.5000000 -0.0000000), wk = 0.0024272 k( 101) = ( 0.4166667 0.5000000 -0.0000000), wk = 0.0024272 k( 102) = ( 0.4259259 0.5000000 -0.0000000), wk = 0.0024272 k( 103) = ( 0.4351852 0.5000000 -0.0000000), wk = 0.0024272 k( 104) = ( 0.4444444 0.5000000 -0.0000000), wk = 0.0024272 k( 105) = ( 0.4537037 0.5000000 -0.0000000), wk = 0.0024272 k( 106) = ( 0.4629630 0.5000000 -0.0000000), wk = 0.0024272 k( 107) = ( 0.4722222 0.5000000 -0.0000000), wk = 0.0024272 k( 108) = ( 0.4814815 0.5000000 -0.0000000), wk = 0.0024272 k( 109) = ( 0.4907407 0.5000000 -0.0000000), wk = 0.0024272 k( 110) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0024272 k( 111) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0024272 k( 112) = ( 0.4934211 0.4934210 -0.0000000), wk = 0.0024272 k( 113) = ( 0.4868421 0.4868421 -0.0000000), wk = 0.0024272 k( 114) = ( 0.4802632 0.4802632 -0.0000000), wk = 0.0024272 k( 115) = ( 0.4736842 0.4736842 -0.0000000), wk = 0.0024272 k( 116) = ( 0.4671053 0.4671053 -0.0000000), wk = 0.0024272 k( 117) = ( 0.4605263 0.4605263 -0.0000000), wk = 0.0024272 k( 118) = ( 0.4539474 0.4539474 -0.0000000), wk = 0.0024272 k( 119) = ( 0.4473684 0.4473684 -0.0000000), wk = 0.0024272 k( 120) = ( 0.4407895 0.4407895 -0.0000000), wk = 0.0024272 k( 121) = ( 0.4342105 0.4342105 -0.0000000), wk = 0.0024272 k( 122) = ( 0.4276316 0.4276316 -0.0000000), wk = 0.0024272 k( 123) = ( 0.4210526 0.4210526 -0.0000000), wk = 0.0024272 k( 124) = ( 0.4144737 0.4144737 -0.0000000), wk = 0.0024272 k( 125) = ( 0.4078947 0.4078947 -0.0000000), wk = 0.0024272 k( 126) = ( 0.4013158 0.4013158 -0.0000000), wk = 0.0024272 k( 127) = ( 0.3947368 0.3947368 -0.0000000), wk = 0.0024272 k( 128) = ( 0.3881579 0.3881579 -0.0000000), wk = 0.0024272 k( 129) = ( 0.3815789 0.3815789 -0.0000000), wk = 0.0024272 k( 130) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0024272 k( 131) = ( 0.3684211 0.3684210 -0.0000000), wk = 0.0024272 k( 132) = ( 0.3618421 0.3618421 -0.0000000), wk = 0.0024272 k( 133) = ( 0.3552632 0.3552632 -0.0000000), wk = 0.0024272 k( 134) = ( 0.3486842 0.3486842 -0.0000000), wk = 0.0024272 k( 135) = ( 0.3421053 0.3421053 -0.0000000), wk = 0.0024272 k( 136) = ( 0.3355263 0.3355263 -0.0000000), wk = 0.0024272 k( 137) = ( 0.3289474 0.3289474 -0.0000000), wk = 0.0024272 k( 138) = ( 0.3223684 0.3223684 -0.0000000), wk = 0.0024272 k( 139) = ( 0.3157895 0.3157895 -0.0000000), wk = 0.0024272 k( 140) = ( 0.3092105 0.3092105 -0.0000000), wk = 0.0024272 k( 141) = ( 0.3026316 0.3026316 -0.0000000), wk = 0.0024272 k( 142) = ( 0.2960526 0.2960526 -0.0000000), wk = 0.0024272 k( 143) = ( 0.2894737 0.2894737 -0.0000000), wk = 0.0024272 k( 144) = ( 0.2828947 0.2828947 -0.0000000), wk = 0.0024272 k( 145) = ( 0.2763158 0.2763158 -0.0000000), wk = 0.0024272 k( 146) = ( 0.2697368 0.2697368 -0.0000000), wk = 0.0024272 k( 147) = ( 0.2631579 0.2631579 -0.0000000), wk = 0.0024272 k( 148) = ( 0.2565789 0.2565789 -0.0000000), wk = 0.0024272 k( 149) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0024272 k( 150) = ( 0.2434210 0.2434210 -0.0000000), wk = 0.0024272 k( 151) = ( 0.2368421 0.2368421 -0.0000000), wk = 0.0024272 k( 152) = ( 0.2302632 0.2302632 -0.0000000), wk = 0.0024272 k( 153) = ( 0.2236842 0.2236842 -0.0000000), wk = 0.0024272 k( 154) = ( 0.2171053 0.2171053 -0.0000000), wk = 0.0024272 k( 155) = ( 0.2105263 0.2105263 -0.0000000), wk = 0.0024272 k( 156) = ( 0.2039474 0.2039474 -0.0000000), wk = 0.0024272 k( 157) = ( 0.1973684 0.1973684 -0.0000000), wk = 0.0024272 k( 158) = ( 0.1907895 0.1907895 -0.0000000), wk = 0.0024272 k( 159) = ( 0.1842105 0.1842105 -0.0000000), wk = 0.0024272 k( 160) = ( 0.1776316 0.1776316 -0.0000000), wk = 0.0024272 k( 161) = ( 0.1710526 0.1710526 -0.0000000), wk = 0.0024272 k( 162) = ( 0.1644737 0.1644737 -0.0000000), wk = 0.0024272 k( 163) = ( 0.1578947 0.1578947 -0.0000000), wk = 0.0024272 k( 164) = ( 0.1513158 0.1513158 -0.0000000), wk = 0.0024272 k( 165) = ( 0.1447368 0.1447368 -0.0000000), wk = 0.0024272 k( 166) = ( 0.1381579 0.1381579 -0.0000000), wk = 0.0024272 k( 167) = ( 0.1315790 0.1315790 -0.0000000), wk = 0.0024272 k( 168) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0024272 k( 169) = ( 0.1184210 0.1184210 -0.0000000), wk = 0.0024272 k( 170) = ( 0.1118421 0.1118421 -0.0000000), wk = 0.0024272 k( 171) = ( 0.1052632 0.1052632 -0.0000000), wk = 0.0024272 k( 172) = ( 0.0986842 0.0986842 -0.0000000), wk = 0.0024272 k( 173) = ( 0.0921053 0.0921053 -0.0000000), wk = 0.0024272 k( 174) = ( 0.0855263 0.0855263 -0.0000000), wk = 0.0024272 k( 175) = ( 0.0789474 0.0789474 -0.0000000), wk = 0.0024272 k( 176) = ( 0.0723684 0.0723684 -0.0000000), wk = 0.0024272 k( 177) = ( 0.0657895 0.0657895 -0.0000000), wk = 0.0024272 k( 178) = ( 0.0592105 0.0592105 -0.0000000), wk = 0.0024272 k( 179) = ( 0.0526316 0.0526316 -0.0000000), wk = 0.0024272 k( 180) = ( 0.0460526 0.0460526 -0.0000000), wk = 0.0024272 k( 181) = ( 0.0394737 0.0394737 -0.0000000), wk = 0.0024272 k( 182) = ( 0.0328947 0.0328947 -0.0000000), wk = 0.0024272 k( 183) = ( 0.0263158 0.0263158 -0.0000000), wk = 0.0024272 k( 184) = ( 0.0197368 0.0197368 -0.0000000), wk = 0.0024272 k( 185) = ( 0.0131579 0.0131579 -0.0000000), wk = 0.0024272 k( 186) = ( 0.0065790 0.0065789 -0.0000000), wk = 0.0024272 k( 187) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024272 k( 188) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024272 k( 189) = ( 0.0054348 0.0054348 0.0054348), wk = 0.0024272 k( 190) = ( 0.0108696 0.0108696 0.0108696), wk = 0.0024272 k( 191) = ( 0.0163043 0.0163043 0.0163043), wk = 0.0024272 k( 192) = ( 0.0217391 0.0217391 0.0217391), wk = 0.0024272 k( 193) = ( 0.0271739 0.0271739 0.0271739), wk = 0.0024272 k( 194) = ( 0.0326087 0.0326087 0.0326087), wk = 0.0024272 k( 195) = ( 0.0380435 0.0380435 0.0380435), wk = 0.0024272 k( 196) = ( 0.0434783 0.0434783 0.0434783), wk = 0.0024272 k( 197) = ( 0.0489130 0.0489130 0.0489130), wk = 0.0024272 k( 198) = ( 0.0543478 0.0543478 0.0543478), wk = 0.0024272 k( 199) = ( 0.0597826 0.0597826 0.0597826), wk = 0.0024272 k( 200) = ( 0.0652174 0.0652174 0.0652174), wk = 0.0024272 k( 201) = ( 0.0706522 0.0706522 0.0706522), wk = 0.0024272 k( 202) = ( 0.0760870 0.0760870 0.0760870), wk = 0.0024272 k( 203) = ( 0.0815217 0.0815217 0.0815217), wk = 0.0024272 k( 204) = ( 0.0869565 0.0869565 0.0869565), wk = 0.0024272 k( 205) = ( 0.0923913 0.0923913 0.0923913), wk = 0.0024272 k( 206) = ( 0.0978261 0.0978261 0.0978261), wk = 0.0024272 k( 207) = ( 0.1032609 0.1032609 0.1032609), wk = 0.0024272 k( 208) = ( 0.1086957 0.1086956 0.1086956), wk = 0.0024272 k( 209) = ( 0.1141304 0.1141304 0.1141304), wk = 0.0024272 k( 210) = ( 0.1195652 0.1195652 0.1195652), wk = 0.0024272 k( 211) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0024272 k( 212) = ( 0.1304348 0.1304348 0.1304348), wk = 0.0024272 k( 213) = ( 0.1358696 0.1358696 0.1358696), wk = 0.0024272 k( 214) = ( 0.1413043 0.1413043 0.1413043), wk = 0.0024272 k( 215) = ( 0.1467391 0.1467391 0.1467391), wk = 0.0024272 k( 216) = ( 0.1521739 0.1521739 0.1521739), wk = 0.0024272 k( 217) = ( 0.1576087 0.1576087 0.1576087), wk = 0.0024272 k( 218) = ( 0.1630435 0.1630435 0.1630435), wk = 0.0024272 k( 219) = ( 0.1684783 0.1684783 0.1684783), wk = 0.0024272 k( 220) = ( 0.1739130 0.1739130 0.1739130), wk = 0.0024272 k( 221) = ( 0.1793478 0.1793478 0.1793478), wk = 0.0024272 k( 222) = ( 0.1847826 0.1847826 0.1847826), wk = 0.0024272 k( 223) = ( 0.1902174 0.1902174 0.1902174), wk = 0.0024272 k( 224) = ( 0.1956522 0.1956522 0.1956522), wk = 0.0024272 k( 225) = ( 0.2010870 0.2010870 0.2010870), wk = 0.0024272 k( 226) = ( 0.2065217 0.2065217 0.2065217), wk = 0.0024272 k( 227) = ( 0.2119565 0.2119565 0.2119565), wk = 0.0024272 k( 228) = ( 0.2173913 0.2173913 0.2173913), wk = 0.0024272 k( 229) = ( 0.2228261 0.2228261 0.2228261), wk = 0.0024272 k( 230) = ( 0.2282609 0.2282609 0.2282609), wk = 0.0024272 k( 231) = ( 0.2336957 0.2336956 0.2336956), wk = 0.0024272 k( 232) = ( 0.2391304 0.2391304 0.2391304), wk = 0.0024272 k( 233) = ( 0.2445652 0.2445652 0.2445652), wk = 0.0024272 k( 234) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0024272 k( 235) = ( 0.2554348 0.2554348 0.2554348), wk = 0.0024272 k( 236) = ( 0.2608696 0.2608696 0.2608696), wk = 0.0024272 k( 237) = ( 0.2663044 0.2663044 0.2663043), wk = 0.0024272 k( 238) = ( 0.2717391 0.2717391 0.2717391), wk = 0.0024272 k( 239) = ( 0.2771739 0.2771739 0.2771739), wk = 0.0024272 k( 240) = ( 0.2826087 0.2826087 0.2826087), wk = 0.0024272 k( 241) = ( 0.2880435 0.2880435 0.2880435), wk = 0.0024272 k( 242) = ( 0.2934783 0.2934783 0.2934783), wk = 0.0024272 k( 243) = ( 0.2989130 0.2989130 0.2989130), wk = 0.0024272 k( 244) = ( 0.3043478 0.3043478 0.3043478), wk = 0.0024272 k( 245) = ( 0.3097826 0.3097826 0.3097826), wk = 0.0024272 k( 246) = ( 0.3152174 0.3152174 0.3152174), wk = 0.0024272 k( 247) = ( 0.3206522 0.3206522 0.3206522), wk = 0.0024272 k( 248) = ( 0.3260870 0.3260870 0.3260870), wk = 0.0024272 k( 249) = ( 0.3315217 0.3315217 0.3315217), wk = 0.0024272 k( 250) = ( 0.3369565 0.3369565 0.3369565), wk = 0.0024272 k( 251) = ( 0.3423913 0.3423913 0.3423913), wk = 0.0024272 k( 252) = ( 0.3478261 0.3478261 0.3478261), wk = 0.0024272 k( 253) = ( 0.3532609 0.3532609 0.3532609), wk = 0.0024272 k( 254) = ( 0.3586956 0.3586956 0.3586956), wk = 0.0024272 k( 255) = ( 0.3641304 0.3641304 0.3641304), wk = 0.0024272 k( 256) = ( 0.3695652 0.3695652 0.3695652), wk = 0.0024272 k( 257) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0024272 k( 258) = ( 0.3804348 0.3804348 0.3804348), wk = 0.0024272 k( 259) = ( 0.3858696 0.3858696 0.3858696), wk = 0.0024272 k( 260) = ( 0.3913044 0.3913043 0.3913043), wk = 0.0024272 k( 261) = ( 0.3967391 0.3967391 0.3967391), wk = 0.0024272 k( 262) = ( 0.4021739 0.4021739 0.4021739), wk = 0.0024272 k( 263) = ( 0.4076087 0.4076087 0.4076087), wk = 0.0024272 k( 264) = ( 0.4130435 0.4130435 0.4130435), wk = 0.0024272 k( 265) = ( 0.4184783 0.4184783 0.4184783), wk = 0.0024272 k( 266) = ( 0.4239130 0.4239130 0.4239130), wk = 0.0024272 k( 267) = ( 0.4293478 0.4293478 0.4293478), wk = 0.0024272 k( 268) = ( 0.4347826 0.4347826 0.4347826), wk = 0.0024272 k( 269) = ( 0.4402174 0.4402174 0.4402174), wk = 0.0024272 k( 270) = ( 0.4456522 0.4456522 0.4456522), wk = 0.0024272 k( 271) = ( 0.4510870 0.4510870 0.4510870), wk = 0.0024272 k( 272) = ( 0.4565217 0.4565217 0.4565217), wk = 0.0024272 k( 273) = ( 0.4619565 0.4619565 0.4619565), wk = 0.0024272 k( 274) = ( 0.4673913 0.4673913 0.4673913), wk = 0.0024272 k( 275) = ( 0.4728261 0.4728261 0.4728261), wk = 0.0024272 k( 276) = ( 0.4782609 0.4782609 0.4782609), wk = 0.0024272 k( 277) = ( 0.4836956 0.4836956 0.4836956), wk = 0.0024272 k( 278) = ( 0.4891304 0.4891304 0.4891304), wk = 0.0024272 k( 279) = ( 0.4945652 0.4945652 0.4945652), wk = 0.0024272 k( 280) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024272 k( 281) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024272 k( 282) = ( 0.4934211 0.5000000 0.4934210), wk = 0.0024272 k( 283) = ( 0.4868421 0.5000000 0.4868421), wk = 0.0024272 k( 284) = ( 0.4802632 0.5000000 0.4802632), wk = 0.0024272 k( 285) = ( 0.4736842 0.5000000 0.4736842), wk = 0.0024272 k( 286) = ( 0.4671053 0.5000000 0.4671053), wk = 0.0024272 k( 287) = ( 0.4605263 0.5000000 0.4605263), wk = 0.0024272 k( 288) = ( 0.4539474 0.5000000 0.4539474), wk = 0.0024272 k( 289) = ( 0.4473684 0.5000000 0.4473684), wk = 0.0024272 k( 290) = ( 0.4407895 0.5000000 0.4407895), wk = 0.0024272 k( 291) = ( 0.4342105 0.5000000 0.4342105), wk = 0.0024272 k( 292) = ( 0.4276316 0.5000000 0.4276316), wk = 0.0024272 k( 293) = ( 0.4210526 0.5000000 0.4210526), wk = 0.0024272 k( 294) = ( 0.4144737 0.5000000 0.4144737), wk = 0.0024272 k( 295) = ( 0.4078947 0.5000000 0.4078947), wk = 0.0024272 k( 296) = ( 0.4013158 0.5000000 0.4013158), wk = 0.0024272 k( 297) = ( 0.3947368 0.5000000 0.3947368), wk = 0.0024272 k( 298) = ( 0.3881579 0.5000000 0.3881579), wk = 0.0024272 k( 299) = ( 0.3815789 0.5000000 0.3815789), wk = 0.0024272 k( 300) = ( 0.3750000 0.5000000 0.3750000), wk = 0.0024272 k( 301) = ( 0.3684211 0.5000000 0.3684210), wk = 0.0024272 k( 302) = ( 0.3618421 0.5000000 0.3618421), wk = 0.0024272 k( 303) = ( 0.3552632 0.5000000 0.3552632), wk = 0.0024272 k( 304) = ( 0.3486842 0.5000000 0.3486842), wk = 0.0024272 k( 305) = ( 0.3421053 0.5000000 0.3421053), wk = 0.0024272 k( 306) = ( 0.3355263 0.5000000 0.3355263), wk = 0.0024272 k( 307) = ( 0.3289474 0.5000000 0.3289474), wk = 0.0024272 k( 308) = ( 0.3223684 0.5000000 0.3223684), wk = 0.0024272 k( 309) = ( 0.3157895 0.5000000 0.3157895), wk = 0.0024272 k( 310) = ( 0.3092105 0.5000000 0.3092105), wk = 0.0024272 k( 311) = ( 0.3026316 0.5000000 0.3026316), wk = 0.0024272 k( 312) = ( 0.2960526 0.5000000 0.2960526), wk = 0.0024272 k( 313) = ( 0.2894737 0.5000000 0.2894737), wk = 0.0024272 k( 314) = ( 0.2828947 0.5000000 0.2828947), wk = 0.0024272 k( 315) = ( 0.2763158 0.5000000 0.2763158), wk = 0.0024272 k( 316) = ( 0.2697368 0.5000000 0.2697368), wk = 0.0024272 k( 317) = ( 0.2631579 0.5000000 0.2631579), wk = 0.0024272 k( 318) = ( 0.2565789 0.5000000 0.2565789), wk = 0.0024272 k( 319) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0024272 k( 320) = ( 0.2434210 0.5000000 0.2434210), wk = 0.0024272 k( 321) = ( 0.2368421 0.5000000 0.2368421), wk = 0.0024272 k( 322) = ( 0.2302632 0.5000000 0.2302632), wk = 0.0024272 k( 323) = ( 0.2236842 0.5000000 0.2236842), wk = 0.0024272 k( 324) = ( 0.2171053 0.5000000 0.2171053), wk = 0.0024272 k( 325) = ( 0.2105263 0.5000000 0.2105263), wk = 0.0024272 k( 326) = ( 0.2039474 0.5000000 0.2039474), wk = 0.0024272 k( 327) = ( 0.1973684 0.5000000 0.1973684), wk = 0.0024272 k( 328) = ( 0.1907895 0.5000000 0.1907895), wk = 0.0024272 k( 329) = ( 0.1842105 0.5000000 0.1842105), wk = 0.0024272 k( 330) = ( 0.1776316 0.5000000 0.1776316), wk = 0.0024272 k( 331) = ( 0.1710526 0.5000000 0.1710526), wk = 0.0024272 k( 332) = ( 0.1644737 0.5000000 0.1644737), wk = 0.0024272 k( 333) = ( 0.1578947 0.5000000 0.1578947), wk = 0.0024272 k( 334) = ( 0.1513158 0.5000000 0.1513158), wk = 0.0024272 k( 335) = ( 0.1447368 0.5000000 0.1447368), wk = 0.0024272 k( 336) = ( 0.1381579 0.5000000 0.1381579), wk = 0.0024272 k( 337) = ( 0.1315790 0.5000000 0.1315789), wk = 0.0024272 k( 338) = ( 0.1250000 0.5000000 0.1250000), wk = 0.0024272 k( 339) = ( 0.1184210 0.5000000 0.1184210), wk = 0.0024272 k( 340) = ( 0.1118421 0.5000000 0.1118421), wk = 0.0024272 k( 341) = ( 0.1052632 0.5000000 0.1052632), wk = 0.0024272 k( 342) = ( 0.0986842 0.5000000 0.0986842), wk = 0.0024272 k( 343) = ( 0.0921053 0.5000000 0.0921053), wk = 0.0024272 k( 344) = ( 0.0855263 0.5000000 0.0855263), wk = 0.0024272 k( 345) = ( 0.0789474 0.5000000 0.0789474), wk = 0.0024272 k( 346) = ( 0.0723684 0.5000000 0.0723684), wk = 0.0024272 k( 347) = ( 0.0657895 0.5000000 0.0657895), wk = 0.0024272 k( 348) = ( 0.0592105 0.5000000 0.0592105), wk = 0.0024272 k( 349) = ( 0.0526316 0.5000000 0.0526316), wk = 0.0024272 k( 350) = ( 0.0460526 0.5000000 0.0460526), wk = 0.0024272 k( 351) = ( 0.0394737 0.5000000 0.0394737), wk = 0.0024272 k( 352) = ( 0.0328947 0.5000000 0.0328947), wk = 0.0024272 k( 353) = ( 0.0263158 0.5000000 0.0263158), wk = 0.0024272 k( 354) = ( 0.0197368 0.5000000 0.0197368), wk = 0.0024272 k( 355) = ( 0.0131579 0.5000000 0.0131579), wk = 0.0024272 k( 356) = ( 0.0065790 0.5000000 0.0065789), wk = 0.0024272 k( 357) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0024272 k( 358) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0024272 k( 359) = ( 0.5000000 0.5000000 0.0092593), wk = 0.0024272 k( 360) = ( 0.5000000 0.5000000 0.0185185), wk = 0.0024272 k( 361) = ( 0.5000000 0.5000000 0.0277778), wk = 0.0024272 k( 362) = ( 0.5000000 0.5000000 0.0370370), wk = 0.0024272 k( 363) = ( 0.5000000 0.5000000 0.0462963), wk = 0.0024272 k( 364) = ( 0.5000000 0.5000000 0.0555556), wk = 0.0024272 k( 365) = ( 0.5000000 0.5000000 0.0648148), wk = 0.0024272 k( 366) = ( 0.5000000 0.5000000 0.0740741), wk = 0.0024272 k( 367) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0024272 k( 368) = ( 0.5000000 0.5000000 0.0925926), wk = 0.0024272 k( 369) = ( 0.5000000 0.5000000 0.1018518), wk = 0.0024272 k( 370) = ( 0.5000000 0.5000000 0.1111111), wk = 0.0024272 k( 371) = ( 0.5000000 0.5000000 0.1203704), wk = 0.0024272 k( 372) = ( 0.5000000 0.5000000 0.1296296), wk = 0.0024272 k( 373) = ( 0.5000000 0.5000000 0.1388889), wk = 0.0024272 k( 374) = ( 0.5000000 0.5000000 0.1481481), wk = 0.0024272 k( 375) = ( 0.5000000 0.5000000 0.1574074), wk = 0.0024272 k( 376) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0024272 k( 377) = ( 0.5000000 0.5000000 0.1759259), wk = 0.0024272 k( 378) = ( 0.5000000 0.5000000 0.1851852), wk = 0.0024272 k( 379) = ( 0.5000000 0.5000000 0.1944444), wk = 0.0024272 k( 380) = ( 0.5000000 0.5000000 0.2037037), wk = 0.0024272 k( 381) = ( 0.5000000 0.5000000 0.2129630), wk = 0.0024272 k( 382) = ( 0.5000000 0.5000000 0.2222222), wk = 0.0024272 k( 383) = ( 0.5000000 0.5000000 0.2314815), wk = 0.0024272 k( 384) = ( 0.5000000 0.5000000 0.2407407), wk = 0.0024272 k( 385) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0024272 k( 386) = ( 0.5000000 0.5000000 0.2592593), wk = 0.0024272 k( 387) = ( 0.5000000 0.5000000 0.2685185), wk = 0.0024272 k( 388) = ( 0.5000000 0.5000000 0.2777778), wk = 0.0024272 k( 389) = ( 0.5000000 0.5000000 0.2870370), wk = 0.0024272 k( 390) = ( 0.5000000 0.5000000 0.2962963), wk = 0.0024272 k( 391) = ( 0.5000000 0.5000000 0.3055556), wk = 0.0024272 k( 392) = ( 0.5000000 0.5000000 0.3148148), wk = 0.0024272 k( 393) = ( 0.5000000 0.5000000 0.3240741), wk = 0.0024272 k( 394) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0024272 k( 395) = ( 0.5000000 0.5000000 0.3425926), wk = 0.0024272 k( 396) = ( 0.5000000 0.5000000 0.3518518), wk = 0.0024272 k( 397) = ( 0.5000000 0.5000000 0.3611111), wk = 0.0024272 k( 398) = ( 0.5000000 0.5000000 0.3703704), wk = 0.0024272 k( 399) = ( 0.5000000 0.5000000 0.3796296), wk = 0.0024272 k( 400) = ( 0.5000000 0.5000000 0.3888889), wk = 0.0024272 k( 401) = ( 0.5000000 0.5000000 0.3981481), wk = 0.0024272 k( 402) = ( 0.5000000 0.5000000 0.4074074), wk = 0.0024272 k( 403) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0024272 k( 404) = ( 0.5000000 0.5000000 0.4259259), wk = 0.0024272 k( 405) = ( 0.5000000 0.5000000 0.4351852), wk = 0.0024272 k( 406) = ( 0.5000000 0.5000000 0.4444444), wk = 0.0024272 k( 407) = ( 0.5000000 0.5000000 0.4537037), wk = 0.0024272 k( 408) = ( 0.5000000 0.5000000 0.4629630), wk = 0.0024272 k( 409) = ( 0.5000000 0.5000000 0.4722222), wk = 0.0024272 k( 410) = ( 0.5000000 0.5000000 0.4814815), wk = 0.0024272 k( 411) = ( 0.5000000 0.5000000 0.4907407), wk = 0.0024272 k( 412) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024272 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024272 k( 2) = ( 0.0000000 0.0092593 0.0000000), wk = 0.0024272 k( 3) = ( 0.0000000 0.0185185 0.0000000), wk = 0.0024272 k( 4) = ( 0.0000000 0.0277778 0.0000000), wk = 0.0024272 k( 5) = ( 0.0000000 0.0370370 0.0000000), wk = 0.0024272 k( 6) = ( 0.0000000 0.0462963 0.0000000), wk = 0.0024272 k( 7) = ( 0.0000000 0.0555556 0.0000000), wk = 0.0024272 k( 8) = ( 0.0000000 0.0648148 0.0000000), wk = 0.0024272 k( 9) = ( 0.0000000 0.0740741 0.0000000), wk = 0.0024272 k( 10) = ( 0.0000000 0.0833333 0.0000000), wk = 0.0024272 k( 11) = ( 0.0000000 0.0925926 0.0000000), wk = 0.0024272 k( 12) = ( 0.0000000 0.1018518 0.0000000), wk = 0.0024272 k( 13) = ( 0.0000000 0.1111111 0.0000000), wk = 0.0024272 k( 14) = ( 0.0000000 0.1203704 0.0000000), wk = 0.0024272 k( 15) = ( 0.0000000 0.1296296 0.0000000), wk = 0.0024272 k( 16) = ( 0.0000000 0.1388889 0.0000000), wk = 0.0024272 k( 17) = ( 0.0000000 0.1481482 0.0000000), wk = 0.0024272 k( 18) = ( 0.0000000 0.1574074 0.0000000), wk = 0.0024272 k( 19) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0024272 k( 20) = ( 0.0000000 0.1759259 0.0000000), wk = 0.0024272 k( 21) = ( 0.0000000 0.1851852 0.0000000), wk = 0.0024272 k( 22) = ( 0.0000000 0.1944444 0.0000000), wk = 0.0024272 k( 23) = ( 0.0000000 0.2037037 0.0000000), wk = 0.0024272 k( 24) = ( 0.0000000 0.2129630 0.0000000), wk = 0.0024272 k( 25) = ( 0.0000000 0.2222222 0.0000000), wk = 0.0024272 k( 26) = ( 0.0000000 0.2314815 0.0000000), wk = 0.0024272 k( 27) = ( 0.0000000 0.2407407 0.0000000), wk = 0.0024272 k( 28) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0024272 k( 29) = ( 0.0000000 0.2592593 0.0000000), wk = 0.0024272 k( 30) = ( 0.0000000 0.2685185 0.0000000), wk = 0.0024272 k( 31) = ( 0.0000000 0.2777778 0.0000000), wk = 0.0024272 k( 32) = ( 0.0000000 0.2870370 0.0000000), wk = 0.0024272 k( 33) = ( 0.0000000 0.2962963 0.0000000), wk = 0.0024272 k( 34) = ( 0.0000000 0.3055556 0.0000000), wk = 0.0024272 k( 35) = ( 0.0000000 0.3148148 0.0000000), wk = 0.0024272 k( 36) = ( 0.0000000 0.3240741 0.0000000), wk = 0.0024272 k( 37) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0024272 k( 38) = ( 0.0000000 0.3425926 0.0000000), wk = 0.0024272 k( 39) = ( 0.0000000 0.3518519 0.0000000), wk = 0.0024272 k( 40) = ( 0.0000000 0.3611111 0.0000000), wk = 0.0024272 k( 41) = ( 0.0000000 0.3703704 0.0000000), wk = 0.0024272 k( 42) = ( 0.0000000 0.3796296 0.0000000), wk = 0.0024272 k( 43) = ( 0.0000000 0.3888889 0.0000000), wk = 0.0024272 k( 44) = ( 0.0000000 0.3981481 0.0000000), wk = 0.0024272 k( 45) = ( 0.0000000 0.4074074 0.0000000), wk = 0.0024272 k( 46) = ( 0.0000000 0.4166667 0.0000000), wk = 0.0024272 k( 47) = ( 0.0000000 0.4259259 0.0000000), wk = 0.0024272 k( 48) = ( 0.0000000 0.4351852 0.0000000), wk = 0.0024272 k( 49) = ( 0.0000000 0.4444444 0.0000000), wk = 0.0024272 k( 50) = ( 0.0000000 0.4537037 0.0000000), wk = 0.0024272 k( 51) = ( 0.0000000 0.4629630 0.0000000), wk = 0.0024272 k( 52) = ( 0.0000000 0.4722222 0.0000000), wk = 0.0024272 k( 53) = ( 0.0000000 0.4814815 0.0000000), wk = 0.0024272 k( 54) = ( 0.0000000 0.4907407 0.0000000), wk = 0.0024272 k( 55) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0024272 k( 56) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0024272 k( 57) = ( 0.0092593 0.5000000 0.0000000), wk = 0.0024272 k( 58) = ( 0.0185185 0.5000000 0.0000000), wk = 0.0024272 k( 59) = ( 0.0277778 0.5000000 0.0000000), wk = 0.0024272 k( 60) = ( 0.0370370 0.5000000 0.0000000), wk = 0.0024272 k( 61) = ( 0.0462963 0.5000000 0.0000000), wk = 0.0024272 k( 62) = ( 0.0555556 0.5000000 0.0000000), wk = 0.0024272 k( 63) = ( 0.0648148 0.5000000 0.0000000), wk = 0.0024272 k( 64) = ( 0.0740741 0.5000000 0.0000000), wk = 0.0024272 k( 65) = ( 0.0833333 0.5000000 0.0000000), wk = 0.0024272 k( 66) = ( 0.0925926 0.5000000 0.0000000), wk = 0.0024272 k( 67) = ( 0.1018518 0.5000000 0.0000000), wk = 0.0024272 k( 68) = ( 0.1111111 0.5000000 0.0000000), wk = 0.0024272 k( 69) = ( 0.1203704 0.5000000 0.0000000), wk = 0.0024272 k( 70) = ( 0.1296296 0.5000000 0.0000000), wk = 0.0024272 k( 71) = ( 0.1388889 0.5000000 0.0000000), wk = 0.0024272 k( 72) = ( 0.1481482 0.5000000 0.0000000), wk = 0.0024272 k( 73) = ( 0.1574074 0.5000000 0.0000000), wk = 0.0024272 k( 74) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0024272 k( 75) = ( 0.1759259 0.5000000 0.0000000), wk = 0.0024272 k( 76) = ( 0.1851852 0.5000000 0.0000000), wk = 0.0024272 k( 77) = ( 0.1944444 0.5000000 0.0000000), wk = 0.0024272 k( 78) = ( 0.2037037 0.5000000 0.0000000), wk = 0.0024272 k( 79) = ( 0.2129630 0.5000000 0.0000000), wk = 0.0024272 k( 80) = ( 0.2222222 0.5000000 0.0000000), wk = 0.0024272 k( 81) = ( 0.2314815 0.5000000 0.0000000), wk = 0.0024272 k( 82) = ( 0.2407407 0.5000000 0.0000000), wk = 0.0024272 k( 83) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0024272 k( 84) = ( 0.2592593 0.5000000 0.0000000), wk = 0.0024272 k( 85) = ( 0.2685185 0.5000000 0.0000000), wk = 0.0024272 k( 86) = ( 0.2777778 0.5000000 0.0000000), wk = 0.0024272 k( 87) = ( 0.2870370 0.5000000 0.0000000), wk = 0.0024272 k( 88) = ( 0.2962963 0.5000000 0.0000000), wk = 0.0024272 k( 89) = ( 0.3055556 0.5000000 0.0000000), wk = 0.0024272 k( 90) = ( 0.3148148 0.5000000 -0.0000000), wk = 0.0024272 k( 91) = ( 0.3240741 0.5000000 -0.0000000), wk = 0.0024272 k( 92) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0024272 k( 93) = ( 0.3425926 0.5000000 -0.0000000), wk = 0.0024272 k( 94) = ( 0.3518519 0.5000000 0.0000000), wk = 0.0024272 k( 95) = ( 0.3611111 0.5000000 0.0000000), wk = 0.0024272 k( 96) = ( 0.3703704 0.5000000 0.0000000), wk = 0.0024272 k( 97) = ( 0.3796296 0.5000000 0.0000000), wk = 0.0024272 k( 98) = ( 0.3888889 0.5000000 0.0000000), wk = 0.0024272 k( 99) = ( 0.3981481 0.5000000 0.0000000), wk = 0.0024272 k( 100) = ( 0.4074074 0.5000000 0.0000000), wk = 0.0024272 k( 101) = ( 0.4166667 0.5000000 0.0000000), wk = 0.0024272 k( 102) = ( 0.4259259 0.5000000 0.0000000), wk = 0.0024272 k( 103) = ( 0.4351852 0.5000000 0.0000000), wk = 0.0024272 k( 104) = ( 0.4444444 0.5000000 0.0000000), wk = 0.0024272 k( 105) = ( 0.4537037 0.5000000 0.0000000), wk = 0.0024272 k( 106) = ( 0.4629630 0.5000000 0.0000000), wk = 0.0024272 k( 107) = ( 0.4722222 0.5000000 0.0000000), wk = 0.0024272 k( 108) = ( 0.4814815 0.5000000 0.0000000), wk = 0.0024272 k( 109) = ( 0.4907407 0.5000000 0.0000000), wk = 0.0024272 k( 110) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0024272 k( 111) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0024272 k( 112) = ( 0.4934211 0.4934211 0.0000000), wk = 0.0024272 k( 113) = ( 0.4868421 0.4868421 0.0000000), wk = 0.0024272 k( 114) = ( 0.4802632 0.4802632 0.0000000), wk = 0.0024272 k( 115) = ( 0.4736842 0.4736842 0.0000000), wk = 0.0024272 k( 116) = ( 0.4671053 0.4671053 0.0000000), wk = 0.0024272 k( 117) = ( 0.4605263 0.4605263 0.0000000), wk = 0.0024272 k( 118) = ( 0.4539474 0.4539474 0.0000000), wk = 0.0024272 k( 119) = ( 0.4473684 0.4473684 0.0000000), wk = 0.0024272 k( 120) = ( 0.4407895 0.4407895 0.0000000), wk = 0.0024272 k( 121) = ( 0.4342105 0.4342105 0.0000000), wk = 0.0024272 k( 122) = ( 0.4276316 0.4276316 0.0000000), wk = 0.0024272 k( 123) = ( 0.4210526 0.4210526 0.0000000), wk = 0.0024272 k( 124) = ( 0.4144737 0.4144737 0.0000000), wk = 0.0024272 k( 125) = ( 0.4078947 0.4078947 0.0000000), wk = 0.0024272 k( 126) = ( 0.4013158 0.4013158 0.0000000), wk = 0.0024272 k( 127) = ( 0.3947368 0.3947368 0.0000000), wk = 0.0024272 k( 128) = ( 0.3881579 0.3881579 0.0000000), wk = 0.0024272 k( 129) = ( 0.3815789 0.3815789 0.0000000), wk = 0.0024272 k( 130) = ( 0.3750000 0.3750000 0.0000000), wk = 0.0024272 k( 131) = ( 0.3684211 0.3684211 0.0000000), wk = 0.0024272 k( 132) = ( 0.3618421 0.3618421 0.0000000), wk = 0.0024272 k( 133) = ( 0.3552632 0.3552632 0.0000000), wk = 0.0024272 k( 134) = ( 0.3486842 0.3486842 0.0000000), wk = 0.0024272 k( 135) = ( 0.3421053 0.3421053 0.0000000), wk = 0.0024272 k( 136) = ( 0.3355263 0.3355263 0.0000000), wk = 0.0024272 k( 137) = ( 0.3289474 0.3289474 0.0000000), wk = 0.0024272 k( 138) = ( 0.3223684 0.3223684 0.0000000), wk = 0.0024272 k( 139) = ( 0.3157895 0.3157895 0.0000000), wk = 0.0024272 k( 140) = ( 0.3092105 0.3092105 0.0000000), wk = 0.0024272 k( 141) = ( 0.3026316 0.3026316 0.0000000), wk = 0.0024272 k( 142) = ( 0.2960526 0.2960526 0.0000000), wk = 0.0024272 k( 143) = ( 0.2894737 0.2894737 0.0000000), wk = 0.0024272 k( 144) = ( 0.2828947 0.2828947 0.0000000), wk = 0.0024272 k( 145) = ( 0.2763158 0.2763158 0.0000000), wk = 0.0024272 k( 146) = ( 0.2697368 0.2697368 0.0000000), wk = 0.0024272 k( 147) = ( 0.2631579 0.2631579 0.0000000), wk = 0.0024272 k( 148) = ( 0.2565789 0.2565789 0.0000000), wk = 0.0024272 k( 149) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0024272 k( 150) = ( 0.2434210 0.2434210 0.0000000), wk = 0.0024272 k( 151) = ( 0.2368421 0.2368421 0.0000000), wk = 0.0024272 k( 152) = ( 0.2302632 0.2302632 0.0000000), wk = 0.0024272 k( 153) = ( 0.2236842 0.2236842 0.0000000), wk = 0.0024272 k( 154) = ( 0.2171053 0.2171053 0.0000000), wk = 0.0024272 k( 155) = ( 0.2105263 0.2105263 0.0000000), wk = 0.0024272 k( 156) = ( 0.2039474 0.2039474 0.0000000), wk = 0.0024272 k( 157) = ( 0.1973684 0.1973684 0.0000000), wk = 0.0024272 k( 158) = ( 0.1907895 0.1907895 0.0000000), wk = 0.0024272 k( 159) = ( 0.1842105 0.1842105 0.0000000), wk = 0.0024272 k( 160) = ( 0.1776316 0.1776316 0.0000000), wk = 0.0024272 k( 161) = ( 0.1710526 0.1710526 0.0000000), wk = 0.0024272 k( 162) = ( 0.1644737 0.1644737 0.0000000), wk = 0.0024272 k( 163) = ( 0.1578947 0.1578947 0.0000000), wk = 0.0024272 k( 164) = ( 0.1513158 0.1513158 0.0000000), wk = 0.0024272 k( 165) = ( 0.1447368 0.1447368 0.0000000), wk = 0.0024272 k( 166) = ( 0.1381579 0.1381579 0.0000000), wk = 0.0024272 k( 167) = ( 0.1315790 0.1315790 0.0000000), wk = 0.0024272 k( 168) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0024272 k( 169) = ( 0.1184210 0.1184210 0.0000000), wk = 0.0024272 k( 170) = ( 0.1118421 0.1118421 0.0000000), wk = 0.0024272 k( 171) = ( 0.1052632 0.1052632 0.0000000), wk = 0.0024272 k( 172) = ( 0.0986842 0.0986842 0.0000000), wk = 0.0024272 k( 173) = ( 0.0921053 0.0921053 0.0000000), wk = 0.0024272 k( 174) = ( 0.0855263 0.0855263 0.0000000), wk = 0.0024272 k( 175) = ( 0.0789474 0.0789474 0.0000000), wk = 0.0024272 k( 176) = ( 0.0723684 0.0723684 0.0000000), wk = 0.0024272 k( 177) = ( 0.0657895 0.0657895 0.0000000), wk = 0.0024272 k( 178) = ( 0.0592105 0.0592105 0.0000000), wk = 0.0024272 k( 179) = ( 0.0526316 0.0526316 0.0000000), wk = 0.0024272 k( 180) = ( 0.0460526 0.0460526 0.0000000), wk = 0.0024272 k( 181) = ( 0.0394737 0.0394737 0.0000000), wk = 0.0024272 k( 182) = ( 0.0328947 0.0328947 0.0000000), wk = 0.0024272 k( 183) = ( 0.0263158 0.0263158 0.0000000), wk = 0.0024272 k( 184) = ( 0.0197368 0.0197368 0.0000000), wk = 0.0024272 k( 185) = ( 0.0131579 0.0131579 0.0000000), wk = 0.0024272 k( 186) = ( 0.0065790 0.0065790 0.0000000), wk = 0.0024272 k( 187) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024272 k( 188) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024272 k( 189) = ( 0.0054348 0.0054348 0.0054348), wk = 0.0024272 k( 190) = ( 0.0108696 0.0108696 0.0108696), wk = 0.0024272 k( 191) = ( 0.0163043 0.0163043 0.0163043), wk = 0.0024272 k( 192) = ( 0.0217391 0.0217391 0.0217391), wk = 0.0024272 k( 193) = ( 0.0271739 0.0271739 0.0271739), wk = 0.0024272 k( 194) = ( 0.0326087 0.0326087 0.0326087), wk = 0.0024272 k( 195) = ( 0.0380435 0.0380435 0.0380435), wk = 0.0024272 k( 196) = ( 0.0434783 0.0434783 0.0434783), wk = 0.0024272 k( 197) = ( 0.0489130 0.0489130 0.0489130), wk = 0.0024272 k( 198) = ( 0.0543478 0.0543478 0.0543478), wk = 0.0024272 k( 199) = ( 0.0597826 0.0597826 0.0597826), wk = 0.0024272 k( 200) = ( 0.0652174 0.0652174 0.0652174), wk = 0.0024272 k( 201) = ( 0.0706522 0.0706522 0.0706522), wk = 0.0024272 k( 202) = ( 0.0760870 0.0760870 0.0760870), wk = 0.0024272 k( 203) = ( 0.0815217 0.0815217 0.0815217), wk = 0.0024272 k( 204) = ( 0.0869565 0.0869565 0.0869565), wk = 0.0024272 k( 205) = ( 0.0923913 0.0923913 0.0923913), wk = 0.0024272 k( 206) = ( 0.0978261 0.0978261 0.0978261), wk = 0.0024272 k( 207) = ( 0.1032609 0.1032609 0.1032609), wk = 0.0024272 k( 208) = ( 0.1086957 0.1086957 0.1086957), wk = 0.0024272 k( 209) = ( 0.1141304 0.1141304 0.1141304), wk = 0.0024272 k( 210) = ( 0.1195652 0.1195652 0.1195652), wk = 0.0024272 k( 211) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0024272 k( 212) = ( 0.1304348 0.1304348 0.1304348), wk = 0.0024272 k( 213) = ( 0.1358696 0.1358696 0.1358696), wk = 0.0024272 k( 214) = ( 0.1413043 0.1413043 0.1413043), wk = 0.0024272 k( 215) = ( 0.1467391 0.1467391 0.1467391), wk = 0.0024272 k( 216) = ( 0.1521739 0.1521739 0.1521739), wk = 0.0024272 k( 217) = ( 0.1576087 0.1576087 0.1576087), wk = 0.0024272 k( 218) = ( 0.1630435 0.1630435 0.1630435), wk = 0.0024272 k( 219) = ( 0.1684783 0.1684783 0.1684783), wk = 0.0024272 k( 220) = ( 0.1739130 0.1739130 0.1739130), wk = 0.0024272 k( 221) = ( 0.1793478 0.1793478 0.1793478), wk = 0.0024272 k( 222) = ( 0.1847826 0.1847826 0.1847826), wk = 0.0024272 k( 223) = ( 0.1902174 0.1902174 0.1902174), wk = 0.0024272 k( 224) = ( 0.1956522 0.1956522 0.1956522), wk = 0.0024272 k( 225) = ( 0.2010870 0.2010870 0.2010870), wk = 0.0024272 k( 226) = ( 0.2065217 0.2065217 0.2065217), wk = 0.0024272 k( 227) = ( 0.2119565 0.2119565 0.2119565), wk = 0.0024272 k( 228) = ( 0.2173913 0.2173913 0.2173913), wk = 0.0024272 k( 229) = ( 0.2228261 0.2228261 0.2228261), wk = 0.0024272 k( 230) = ( 0.2282609 0.2282609 0.2282609), wk = 0.0024272 k( 231) = ( 0.2336957 0.2336957 0.2336957), wk = 0.0024272 k( 232) = ( 0.2391304 0.2391304 0.2391304), wk = 0.0024272 k( 233) = ( 0.2445652 0.2445652 0.2445652), wk = 0.0024272 k( 234) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0024272 k( 235) = ( 0.2554348 0.2554348 0.2554348), wk = 0.0024272 k( 236) = ( 0.2608696 0.2608696 0.2608696), wk = 0.0024272 k( 237) = ( 0.2663044 0.2663044 0.2663044), wk = 0.0024272 k( 238) = ( 0.2717391 0.2717391 0.2717391), wk = 0.0024272 k( 239) = ( 0.2771739 0.2771739 0.2771739), wk = 0.0024272 k( 240) = ( 0.2826087 0.2826087 0.2826087), wk = 0.0024272 k( 241) = ( 0.2880435 0.2880435 0.2880435), wk = 0.0024272 k( 242) = ( 0.2934783 0.2934783 0.2934783), wk = 0.0024272 k( 243) = ( 0.2989130 0.2989130 0.2989130), wk = 0.0024272 k( 244) = ( 0.3043478 0.3043478 0.3043478), wk = 0.0024272 k( 245) = ( 0.3097826 0.3097826 0.3097826), wk = 0.0024272 k( 246) = ( 0.3152174 0.3152174 0.3152174), wk = 0.0024272 k( 247) = ( 0.3206522 0.3206522 0.3206522), wk = 0.0024272 k( 248) = ( 0.3260870 0.3260870 0.3260870), wk = 0.0024272 k( 249) = ( 0.3315217 0.3315217 0.3315217), wk = 0.0024272 k( 250) = ( 0.3369565 0.3369565 0.3369565), wk = 0.0024272 k( 251) = ( 0.3423913 0.3423913 0.3423913), wk = 0.0024272 k( 252) = ( 0.3478261 0.3478261 0.3478261), wk = 0.0024272 k( 253) = ( 0.3532609 0.3532609 0.3532609), wk = 0.0024272 k( 254) = ( 0.3586956 0.3586956 0.3586956), wk = 0.0024272 k( 255) = ( 0.3641304 0.3641304 0.3641304), wk = 0.0024272 k( 256) = ( 0.3695652 0.3695652 0.3695652), wk = 0.0024272 k( 257) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0024272 k( 258) = ( 0.3804348 0.3804348 0.3804348), wk = 0.0024272 k( 259) = ( 0.3858696 0.3858696 0.3858696), wk = 0.0024272 k( 260) = ( 0.3913044 0.3913044 0.3913044), wk = 0.0024272 k( 261) = ( 0.3967391 0.3967391 0.3967391), wk = 0.0024272 k( 262) = ( 0.4021739 0.4021739 0.4021739), wk = 0.0024272 k( 263) = ( 0.4076087 0.4076087 0.4076087), wk = 0.0024272 k( 264) = ( 0.4130435 0.4130435 0.4130435), wk = 0.0024272 k( 265) = ( 0.4184783 0.4184783 0.4184783), wk = 0.0024272 k( 266) = ( 0.4239130 0.4239130 0.4239130), wk = 0.0024272 k( 267) = ( 0.4293478 0.4293478 0.4293478), wk = 0.0024272 k( 268) = ( 0.4347826 0.4347826 0.4347826), wk = 0.0024272 k( 269) = ( 0.4402174 0.4402174 0.4402174), wk = 0.0024272 k( 270) = ( 0.4456522 0.4456522 0.4456522), wk = 0.0024272 k( 271) = ( 0.4510870 0.4510870 0.4510870), wk = 0.0024272 k( 272) = ( 0.4565217 0.4565217 0.4565217), wk = 0.0024272 k( 273) = ( 0.4619565 0.4619565 0.4619565), wk = 0.0024272 k( 274) = ( 0.4673913 0.4673913 0.4673913), wk = 0.0024272 k( 275) = ( 0.4728261 0.4728261 0.4728261), wk = 0.0024272 k( 276) = ( 0.4782609 0.4782609 0.4782609), wk = 0.0024272 k( 277) = ( 0.4836956 0.4836956 0.4836956), wk = 0.0024272 k( 278) = ( 0.4891304 0.4891304 0.4891304), wk = 0.0024272 k( 279) = ( 0.4945652 0.4945652 0.4945652), wk = 0.0024272 k( 280) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024272 k( 281) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024272 k( 282) = ( 0.4934211 0.5000000 0.4934211), wk = 0.0024272 k( 283) = ( 0.4868421 0.5000000 0.4868421), wk = 0.0024272 k( 284) = ( 0.4802632 0.5000000 0.4802632), wk = 0.0024272 k( 285) = ( 0.4736842 0.5000000 0.4736842), wk = 0.0024272 k( 286) = ( 0.4671053 0.5000000 0.4671053), wk = 0.0024272 k( 287) = ( 0.4605263 0.5000000 0.4605263), wk = 0.0024272 k( 288) = ( 0.4539474 0.5000000 0.4539474), wk = 0.0024272 k( 289) = ( 0.4473684 0.5000000 0.4473684), wk = 0.0024272 k( 290) = ( 0.4407895 0.5000000 0.4407895), wk = 0.0024272 k( 291) = ( 0.4342105 0.5000000 0.4342105), wk = 0.0024272 k( 292) = ( 0.4276316 0.5000000 0.4276316), wk = 0.0024272 k( 293) = ( 0.4210526 0.5000000 0.4210526), wk = 0.0024272 k( 294) = ( 0.4144737 0.5000000 0.4144737), wk = 0.0024272 k( 295) = ( 0.4078947 0.5000000 0.4078947), wk = 0.0024272 k( 296) = ( 0.4013158 0.5000000 0.4013158), wk = 0.0024272 k( 297) = ( 0.3947368 0.5000000 0.3947368), wk = 0.0024272 k( 298) = ( 0.3881579 0.5000000 0.3881579), wk = 0.0024272 k( 299) = ( 0.3815789 0.5000000 0.3815789), wk = 0.0024272 k( 300) = ( 0.3750000 0.5000000 0.3750000), wk = 0.0024272 k( 301) = ( 0.3684211 0.5000000 0.3684211), wk = 0.0024272 k( 302) = ( 0.3618421 0.5000000 0.3618421), wk = 0.0024272 k( 303) = ( 0.3552632 0.5000000 0.3552632), wk = 0.0024272 k( 304) = ( 0.3486842 0.5000000 0.3486842), wk = 0.0024272 k( 305) = ( 0.3421053 0.5000000 0.3421053), wk = 0.0024272 k( 306) = ( 0.3355263 0.5000000 0.3355263), wk = 0.0024272 k( 307) = ( 0.3289474 0.5000000 0.3289474), wk = 0.0024272 k( 308) = ( 0.3223684 0.5000000 0.3223684), wk = 0.0024272 k( 309) = ( 0.3157895 0.5000000 0.3157895), wk = 0.0024272 k( 310) = ( 0.3092105 0.5000000 0.3092105), wk = 0.0024272 k( 311) = ( 0.3026316 0.5000000 0.3026316), wk = 0.0024272 k( 312) = ( 0.2960526 0.5000000 0.2960526), wk = 0.0024272 k( 313) = ( 0.2894737 0.5000000 0.2894737), wk = 0.0024272 k( 314) = ( 0.2828947 0.5000000 0.2828947), wk = 0.0024272 k( 315) = ( 0.2763158 0.5000000 0.2763158), wk = 0.0024272 k( 316) = ( 0.2697368 0.5000000 0.2697368), wk = 0.0024272 k( 317) = ( 0.2631579 0.5000000 0.2631579), wk = 0.0024272 k( 318) = ( 0.2565789 0.5000000 0.2565789), wk = 0.0024272 k( 319) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0024272 k( 320) = ( 0.2434210 0.5000000 0.2434210), wk = 0.0024272 k( 321) = ( 0.2368421 0.5000000 0.2368421), wk = 0.0024272 k( 322) = ( 0.2302632 0.5000000 0.2302632), wk = 0.0024272 k( 323) = ( 0.2236842 0.5000000 0.2236842), wk = 0.0024272 k( 324) = ( 0.2171053 0.5000000 0.2171053), wk = 0.0024272 k( 325) = ( 0.2105263 0.5000000 0.2105263), wk = 0.0024272 k( 326) = ( 0.2039474 0.5000000 0.2039474), wk = 0.0024272 k( 327) = ( 0.1973684 0.5000000 0.1973684), wk = 0.0024272 k( 328) = ( 0.1907895 0.5000000 0.1907895), wk = 0.0024272 k( 329) = ( 0.1842105 0.5000000 0.1842105), wk = 0.0024272 k( 330) = ( 0.1776316 0.5000000 0.1776316), wk = 0.0024272 k( 331) = ( 0.1710526 0.5000000 0.1710526), wk = 0.0024272 k( 332) = ( 0.1644737 0.5000000 0.1644737), wk = 0.0024272 k( 333) = ( 0.1578947 0.5000000 0.1578947), wk = 0.0024272 k( 334) = ( 0.1513158 0.5000000 0.1513158), wk = 0.0024272 k( 335) = ( 0.1447368 0.5000000 0.1447368), wk = 0.0024272 k( 336) = ( 0.1381579 0.5000000 0.1381579), wk = 0.0024272 k( 337) = ( 0.1315790 0.5000000 0.1315790), wk = 0.0024272 k( 338) = ( 0.1250000 0.5000000 0.1250000), wk = 0.0024272 k( 339) = ( 0.1184210 0.5000000 0.1184210), wk = 0.0024272 k( 340) = ( 0.1118421 0.5000000 0.1118421), wk = 0.0024272 k( 341) = ( 0.1052632 0.5000000 0.1052632), wk = 0.0024272 k( 342) = ( 0.0986842 0.5000000 0.0986842), wk = 0.0024272 k( 343) = ( 0.0921053 0.5000000 0.0921053), wk = 0.0024272 k( 344) = ( 0.0855263 0.5000000 0.0855263), wk = 0.0024272 k( 345) = ( 0.0789474 0.5000000 0.0789474), wk = 0.0024272 k( 346) = ( 0.0723684 0.5000000 0.0723684), wk = 0.0024272 k( 347) = ( 0.0657895 0.5000000 0.0657895), wk = 0.0024272 k( 348) = ( 0.0592105 0.5000000 0.0592105), wk = 0.0024272 k( 349) = ( 0.0526316 0.5000000 0.0526316), wk = 0.0024272 k( 350) = ( 0.0460526 0.5000000 0.0460526), wk = 0.0024272 k( 351) = ( 0.0394737 0.5000000 0.0394737), wk = 0.0024272 k( 352) = ( 0.0328947 0.5000000 0.0328947), wk = 0.0024272 k( 353) = ( 0.0263158 0.5000000 0.0263158), wk = 0.0024272 k( 354) = ( 0.0197368 0.5000000 0.0197368), wk = 0.0024272 k( 355) = ( 0.0131579 0.5000000 0.0131579), wk = 0.0024272 k( 356) = ( 0.0065790 0.5000000 0.0065790), wk = 0.0024272 k( 357) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0024272 k( 358) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0024272 k( 359) = ( 0.5000000 0.5000000 0.0092593), wk = 0.0024272 k( 360) = ( 0.5000000 0.5000000 0.0185185), wk = 0.0024272 k( 361) = ( 0.5000000 0.5000000 0.0277778), wk = 0.0024272 k( 362) = ( 0.5000000 0.5000000 0.0370370), wk = 0.0024272 k( 363) = ( 0.5000000 0.5000000 0.0462963), wk = 0.0024272 k( 364) = ( 0.5000000 0.5000000 0.0555556), wk = 0.0024272 k( 365) = ( 0.5000000 0.5000000 0.0648148), wk = 0.0024272 k( 366) = ( 0.5000000 0.5000000 0.0740741), wk = 0.0024272 k( 367) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0024272 k( 368) = ( 0.5000000 0.5000000 0.0925926), wk = 0.0024272 k( 369) = ( 0.5000000 0.5000000 0.1018518), wk = 0.0024272 k( 370) = ( 0.5000000 0.5000000 0.1111111), wk = 0.0024272 k( 371) = ( 0.5000000 0.5000000 0.1203704), wk = 0.0024272 k( 372) = ( 0.5000000 0.5000000 0.1296296), wk = 0.0024272 k( 373) = ( 0.5000000 0.5000000 0.1388889), wk = 0.0024272 k( 374) = ( 0.5000000 0.5000000 0.1481482), wk = 0.0024272 k( 375) = ( 0.5000000 0.5000000 0.1574074), wk = 0.0024272 k( 376) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0024272 k( 377) = ( 0.5000000 0.5000000 0.1759259), wk = 0.0024272 k( 378) = ( 0.5000000 0.5000000 0.1851852), wk = 0.0024272 k( 379) = ( 0.5000000 0.5000000 0.1944444), wk = 0.0024272 k( 380) = ( 0.5000000 0.5000000 0.2037037), wk = 0.0024272 k( 381) = ( 0.5000000 0.5000000 0.2129630), wk = 0.0024272 k( 382) = ( 0.5000000 0.5000000 0.2222222), wk = 0.0024272 k( 383) = ( 0.5000000 0.5000000 0.2314815), wk = 0.0024272 k( 384) = ( 0.5000000 0.5000000 0.2407407), wk = 0.0024272 k( 385) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0024272 k( 386) = ( 0.5000000 0.5000000 0.2592593), wk = 0.0024272 k( 387) = ( 0.5000000 0.5000000 0.2685185), wk = 0.0024272 k( 388) = ( 0.5000000 0.5000000 0.2777778), wk = 0.0024272 k( 389) = ( 0.5000000 0.5000000 0.2870370), wk = 0.0024272 k( 390) = ( 0.5000000 0.5000000 0.2962963), wk = 0.0024272 k( 391) = ( 0.5000000 0.5000000 0.3055556), wk = 0.0024272 k( 392) = ( 0.5000000 0.5000000 0.3148148), wk = 0.0024272 k( 393) = ( 0.5000000 0.5000000 0.3240741), wk = 0.0024272 k( 394) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0024272 k( 395) = ( 0.5000000 0.5000000 0.3425926), wk = 0.0024272 k( 396) = ( 0.5000000 0.5000000 0.3518519), wk = 0.0024272 k( 397) = ( 0.5000000 0.5000000 0.3611111), wk = 0.0024272 k( 398) = ( 0.5000000 0.5000000 0.3703704), wk = 0.0024272 k( 399) = ( 0.5000000 0.5000000 0.3796296), wk = 0.0024272 k( 400) = ( 0.5000000 0.5000000 0.3888889), wk = 0.0024272 k( 401) = ( 0.5000000 0.5000000 0.3981481), wk = 0.0024272 k( 402) = ( 0.5000000 0.5000000 0.4074074), wk = 0.0024272 k( 403) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0024272 k( 404) = ( 0.5000000 0.5000000 0.4259259), wk = 0.0024272 k( 405) = ( 0.5000000 0.5000000 0.4351852), wk = 0.0024272 k( 406) = ( 0.5000000 0.5000000 0.4444444), wk = 0.0024272 k( 407) = ( 0.5000000 0.5000000 0.4537037), wk = 0.0024272 k( 408) = ( 0.5000000 0.5000000 0.4629630), wk = 0.0024272 k( 409) = ( 0.5000000 0.5000000 0.4722222), wk = 0.0024272 k( 410) = ( 0.5000000 0.5000000 0.4814815), wk = 0.0024272 k( 411) = ( 0.5000000 0.5000000 0.4907407), wk = 0.0024272 k( 412) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024272 Dense grid: 13133 G-vectors FFT dimensions: ( 30, 30, 30) Smooth grid: 9771 G-vectors FFT dimensions: ( 27, 27, 27) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.03 Mb ( 72, 28) NL pseudopotentials 0.04 Mb ( 36, 68) Each V/rho on FFT grid 0.01 Mb ( 900) Each G-vector array 0.00 Mb ( 364) G-vector shells 0.00 Mb ( 116) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.12 Mb ( 72, 112) Each subspace H/S matrix 0.01 Mb ( 28, 28) Each matrix 0.06 Mb ( 68, 2, 28) The potential is recalculated from file : ./SiOs.save/charge-density.dat Starting wfc are 28 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.0 secs Computing kpt #: 2 total cpu time spent up to now is 2.2 secs Computing kpt #: 3 total cpu time spent up to now is 2.3 secs Computing kpt #: 4 total cpu time spent up to now is 2.4 secs Computing kpt #: 5 total cpu time spent up to now is 2.4 secs Computing kpt #: 6 total cpu time spent up to now is 2.5 secs Computing kpt #: 7 total cpu time spent up to now is 2.6 secs Computing kpt #: 8 total cpu time spent up to now is 2.7 secs Computing kpt #: 9 total cpu time spent up to now is 2.8 secs Computing kpt #: 10 total cpu time spent up to now is 2.9 secs Computing kpt #: 11 total cpu time spent up to now is 3.0 secs Computing kpt #: 12 total cpu time spent up to now is 3.1 secs Computing kpt #: 13 total cpu time spent up to now is 3.3 secs Computing kpt #: 14 total cpu time spent up to now is 3.4 secs Computing kpt #: 15 total cpu time spent up to now is 3.5 secs Computing kpt #: 16 total cpu time spent up to now is 3.6 secs Computing kpt #: 17 total cpu time spent up to now is 3.7 secs Computing kpt #: 18 total cpu time spent up to now is 3.8 secs Computing kpt #: 19 total cpu time spent up to now is 3.9 secs Computing kpt #: 20 total cpu time spent up to now is 4.0 secs Computing kpt #: 21 total cpu time spent up to now is 4.1 secs Computing kpt #: 22 total cpu time spent up to now is 4.2 secs Computing kpt #: 23 total cpu time spent up to now is 4.3 secs Computing kpt #: 24 total cpu time spent up to now is 4.4 secs Computing kpt #: 25 total cpu time spent up to now is 4.5 secs Computing kpt #: 26 total cpu time spent up to now is 4.5 secs Computing kpt #: 27 total cpu time spent up to now is 4.6 secs Computing kpt #: 28 total cpu time spent up to now is 4.7 secs Computing kpt #: 29 total cpu time spent up to now is 4.8 secs Computing kpt #: 30 total cpu time spent up to now is 4.9 secs Computing kpt #: 31 total cpu time spent up to now is 5.0 secs Computing kpt #: 32 total cpu time spent up to now is 5.0 secs Computing kpt #: 33 total cpu time spent up to now is 5.1 secs Computing kpt #: 34 total cpu time spent up to now is 5.2 secs Computing kpt #: 35 total cpu time spent up to now is 5.3 secs Computing kpt #: 36 total cpu time spent up to now is 5.4 secs Computing kpt #: 37 total cpu time spent up to now is 5.5 secs Computing kpt #: 38 total cpu time spent up to now is 5.5 secs Computing kpt #: 39 total cpu time spent up to now is 5.6 secs Computing kpt #: 40 total cpu time spent up to now is 5.7 secs Computing kpt #: 41 total cpu time spent up to now is 5.8 secs Computing kpt #: 42 total cpu time spent up to now is 5.9 secs Computing kpt #: 43 total cpu time spent up to now is 6.0 secs Computing kpt #: 44 total cpu time spent up to now is 6.1 secs Computing kpt #: 45 total cpu time spent up to now is 6.2 secs Computing kpt #: 46 total cpu time spent up to now is 6.2 secs Computing kpt #: 47 total cpu time spent up to now is 6.3 secs Computing kpt #: 48 total cpu time spent up to now is 6.4 secs Computing kpt #: 49 total cpu time spent up to now is 6.6 secs Computing kpt #: 50 total cpu time spent up to now is 6.7 secs Computing kpt #: 51 total cpu time spent up to now is 6.8 secs Computing kpt #: 52 total cpu time spent up to now is 6.9 secs Computing kpt #: 53 total cpu time spent up to now is 7.0 secs Computing kpt #: 54 total cpu time spent up to now is 7.2 secs Computing kpt #: 55 total cpu time spent up to now is 7.3 secs Computing kpt #: 56 total cpu time spent up to now is 7.4 secs Computing kpt #: 57 total cpu time spent up to now is 7.5 secs Computing kpt #: 58 total cpu time spent up to now is 7.7 secs Computing kpt #: 59 total cpu time spent up to now is 7.8 secs Computing kpt #: 60 total cpu time spent up to now is 8.0 secs Computing kpt #: 61 total cpu time spent up to now is 8.1 secs Computing kpt #: 62 total cpu time spent up to now is 8.2 secs Computing kpt #: 63 total cpu time spent up to now is 8.3 secs Computing kpt #: 64 total cpu time spent up to now is 8.5 secs Computing kpt #: 65 total cpu time spent up to now is 8.6 secs Computing kpt #: 66 total cpu time spent up to now is 8.7 secs Computing kpt #: 67 total cpu time spent up to now is 8.8 secs Computing kpt #: 68 total cpu time spent up to now is 8.9 secs Computing kpt #: 69 total cpu time spent up to now is 9.0 secs Computing kpt #: 70 total cpu time spent up to now is 9.1 secs Computing kpt #: 71 total cpu time spent up to now is 9.2 secs Computing kpt #: 72 total cpu time spent up to now is 9.3 secs Computing kpt #: 73 total cpu time spent up to now is 9.4 secs Computing kpt #: 74 total cpu time spent up to now is 9.5 secs Computing kpt #: 75 total cpu time spent up to now is 9.6 secs Computing kpt #: 76 total cpu time spent up to now is 9.8 secs Computing kpt #: 77 total cpu time spent up to now is 9.8 secs Computing kpt #: 78 total cpu time spent up to now is 9.9 secs Computing kpt #: 79 total cpu time spent up to now is 10.0 secs Computing kpt #: 80 total cpu time spent up to now is 10.1 secs Computing kpt #: 81 total cpu time spent up to now is 10.2 secs Computing kpt #: 82 total cpu time spent up to now is 10.3 secs Computing kpt #: 83 total cpu time spent up to now is 10.4 secs Computing kpt #: 84 total cpu time spent up to now is 10.4 secs Computing kpt #: 85 total cpu time spent up to now is 10.5 secs Computing kpt #: 86 total cpu time spent up to now is 10.6 secs Computing kpt #: 87 total cpu time spent up to now is 10.7 secs Computing kpt #: 88 total cpu time spent up to now is 10.8 secs Computing kpt #: 89 total cpu time spent up to now is 10.8 secs Computing kpt #: 90 total cpu time spent up to now is 10.9 secs Computing kpt #: 91 total cpu time spent up to now is 11.0 secs Computing kpt #: 92 total cpu time spent up to now is 11.0 secs Computing kpt #: 93 total cpu time spent up to now is 11.1 secs Computing kpt #: 94 total cpu time spent up to now is 11.2 secs Computing kpt #: 95 total cpu time spent up to now is 11.2 secs Computing kpt #: 96 total cpu time spent up to now is 11.3 secs Computing kpt #: 97 total cpu time spent up to now is 11.3 secs Computing kpt #: 98 total cpu time spent up to now is 11.4 secs Computing kpt #: 99 total cpu time spent up to now is 11.5 secs Computing kpt #: 100 total cpu time spent up to now is 11.5 secs Computing kpt #: 101 total cpu time spent up to now is 11.6 secs Computing kpt #: 102 total cpu time spent up to now is 11.7 secs Computing kpt #: 103 total cpu time spent up to now is 11.7 secs Computing kpt #: 104 total cpu time spent up to now is 11.8 secs Computing kpt #: 105 total cpu time spent up to now is 11.8 secs Computing kpt #: 106 total cpu time spent up to now is 11.9 secs Computing kpt #: 107 total cpu time spent up to now is 11.9 secs Computing kpt #: 108 total cpu time spent up to now is 12.0 secs Computing kpt #: 109 total cpu time spent up to now is 12.1 secs Computing kpt #: 110 total cpu time spent up to now is 12.1 secs Computing kpt #: 111 total cpu time spent up to now is 12.2 secs Computing kpt #: 112 total cpu time spent up to now is 12.2 secs Computing kpt #: 113 total cpu time spent up to now is 12.3 secs Computing kpt #: 114 total cpu time spent up to now is 12.4 secs Computing kpt #: 115 total cpu time spent up to now is 12.4 secs Computing kpt #: 116 total cpu time spent up to now is 12.5 secs Computing kpt #: 117 total cpu time spent up to now is 12.5 secs Computing kpt #: 118 total cpu time spent up to now is 12.6 secs Computing kpt #: 119 total cpu time spent up to now is 12.7 secs Computing kpt #: 120 total cpu time spent up to now is 12.7 secs Computing kpt #: 121 total cpu time spent up to now is 12.8 secs Computing kpt #: 122 total cpu time spent up to now is 12.8 secs Computing kpt #: 123 total cpu time spent up to now is 12.9 secs Computing kpt #: 124 total cpu time spent up to now is 13.0 secs Computing kpt #: 125 total cpu time spent up to now is 13.0 secs Computing kpt #: 126 total cpu time spent up to now is 13.1 secs Computing kpt #: 127 total cpu time spent up to now is 13.1 secs Computing kpt #: 128 total cpu time spent up to now is 13.2 secs Computing kpt #: 129 total cpu time spent up to now is 13.3 secs Computing kpt #: 130 total cpu time spent up to now is 13.3 secs Computing kpt #: 131 total cpu time spent up to now is 13.4 secs Computing kpt #: 132 total cpu time spent up to now is 13.4 secs Computing kpt #: 133 total cpu time spent up to now is 13.5 secs Computing kpt #: 134 total cpu time spent up to now is 13.6 secs Computing kpt #: 135 total cpu time spent up to now is 13.6 secs Computing kpt #: 136 total cpu time spent up to now is 13.7 secs Computing kpt #: 137 total cpu time spent up to now is 13.8 secs Computing kpt #: 138 total cpu time spent up to now is 13.8 secs Computing kpt #: 139 total cpu time spent up to now is 13.9 secs Computing kpt #: 140 total cpu time spent up to now is 14.0 secs Computing kpt #: 141 total cpu time spent up to now is 14.0 secs Computing kpt #: 142 total cpu time spent up to now is 14.1 secs Computing kpt #: 143 total cpu time spent up to now is 14.2 secs Computing kpt #: 144 total cpu time spent up to now is 14.3 secs Computing kpt #: 145 total cpu time spent up to now is 14.3 secs Computing kpt #: 146 total cpu time spent up to now is 14.4 secs Computing kpt #: 147 total cpu time spent up to now is 14.5 secs Computing kpt #: 148 total cpu time spent up to now is 14.6 secs Computing kpt #: 149 total cpu time spent up to now is 14.6 secs Computing kpt #: 150 total cpu time spent up to now is 14.7 secs Computing kpt #: 151 total cpu time spent up to now is 14.8 secs Computing kpt #: 152 total cpu time spent up to now is 14.9 secs Computing kpt #: 153 total cpu time spent up to now is 14.9 secs Computing kpt #: 154 total cpu time spent up to now is 15.0 secs Computing kpt #: 155 total cpu time spent up to now is 15.1 secs Computing kpt #: 156 total cpu time spent up to now is 15.2 secs Computing kpt #: 157 total cpu time spent up to now is 15.2 secs Computing kpt #: 158 total cpu time spent up to now is 15.3 secs Computing kpt #: 159 total cpu time spent up to now is 15.4 secs Computing kpt #: 160 total cpu time spent up to now is 15.5 secs Computing kpt #: 161 total cpu time spent up to now is 15.6 secs Computing kpt #: 162 total cpu time spent up to now is 15.6 secs Computing kpt #: 163 total cpu time spent up to now is 15.7 secs Computing kpt #: 164 total cpu time spent up to now is 15.8 secs Computing kpt #: 165 total cpu time spent up to now is 15.9 secs Computing kpt #: 166 total cpu time spent up to now is 16.0 secs Computing kpt #: 167 total cpu time spent up to now is 16.0 secs Computing kpt #: 168 total cpu time spent up to now is 16.1 secs Computing kpt #: 169 total cpu time spent up to now is 16.2 secs Computing kpt #: 170 total cpu time spent up to now is 16.3 secs Computing kpt #: 171 total cpu time spent up to now is 16.4 secs Computing kpt #: 172 total cpu time spent up to now is 16.5 secs Computing kpt #: 173 total cpu time spent up to now is 16.6 secs Computing kpt #: 174 total cpu time spent up to now is 16.7 secs Computing kpt #: 175 total cpu time spent up to now is 16.8 secs Computing kpt #: 176 total cpu time spent up to now is 16.9 secs Computing kpt #: 177 total cpu time spent up to now is 17.0 secs Computing kpt #: 178 total cpu time spent up to now is 17.1 secs Computing kpt #: 179 total cpu time spent up to now is 17.2 secs Computing kpt #: 180 total cpu time spent up to now is 17.3 secs Computing kpt #: 181 total cpu time spent up to now is 17.4 secs Computing kpt #: 182 total cpu time spent up to now is 17.5 secs Computing kpt #: 183 total cpu time spent up to now is 17.5 secs Computing kpt #: 184 total cpu time spent up to now is 17.6 secs Computing kpt #: 185 total cpu time spent up to now is 17.7 secs Computing kpt #: 186 total cpu time spent up to now is 17.7 secs Computing kpt #: 187 total cpu time spent up to now is 17.8 secs Computing kpt #: 188 total cpu time spent up to now is 17.9 secs Computing kpt #: 189 total cpu time spent up to now is 17.9 secs Computing kpt #: 190 total cpu time spent up to now is 18.0 secs Computing kpt #: 191 total cpu time spent up to now is 18.0 secs Computing kpt #: 192 total cpu time spent up to now is 18.1 secs Computing kpt #: 193 total cpu time spent up to now is 18.2 secs Computing kpt #: 194 total cpu time spent up to now is 18.2 secs Computing kpt #: 195 total cpu time spent up to now is 18.3 secs Computing kpt #: 196 total cpu time spent up to now is 18.4 secs Computing kpt #: 197 total cpu time spent up to now is 18.5 secs Computing kpt #: 198 total cpu time spent up to now is 18.6 secs Computing kpt #: 199 total cpu time spent up to now is 18.7 secs Computing kpt #: 200 total cpu time spent up to now is 18.8 secs Computing kpt #: 201 total cpu time spent up to now is 19.0 secs Computing kpt #: 202 total cpu time spent up to now is 19.1 secs Computing kpt #: 203 total cpu time spent up to now is 19.3 secs Computing kpt #: 204 total cpu time spent up to now is 19.4 secs Computing kpt #: 205 total cpu time spent up to now is 19.5 secs Computing kpt #: 206 total cpu time spent up to now is 19.7 secs Computing kpt #: 207 total cpu time spent up to now is 19.8 secs Computing kpt #: 208 total cpu time spent up to now is 19.9 secs Computing kpt #: 209 total cpu time spent up to now is 20.1 secs Computing kpt #: 210 total cpu time spent up to now is 20.2 secs Computing kpt #: 211 total cpu time spent up to now is 20.3 secs Computing kpt #: 212 total cpu time spent up to now is 20.4 secs Computing kpt #: 213 total cpu time spent up to now is 20.6 secs Computing kpt #: 214 total cpu time spent up to now is 20.7 secs Computing kpt #: 215 total cpu time spent up to now is 20.8 secs Computing kpt #: 216 total cpu time spent up to now is 21.0 secs Computing kpt #: 217 total cpu time spent up to now is 21.1 secs Computing kpt #: 218 total cpu time spent up to now is 21.2 secs Computing kpt #: 219 total cpu time spent up to now is 21.4 secs Computing kpt #: 220 total cpu time spent up to now is 21.5 secs Computing kpt #: 221 total cpu time spent up to now is 21.6 secs Computing kpt #: 222 total cpu time spent up to now is 21.7 secs Computing kpt #: 223 total cpu time spent up to now is 21.8 secs Computing kpt #: 224 total cpu time spent up to now is 21.9 secs Computing kpt #: 225 total cpu time spent up to now is 22.0 secs Computing kpt #: 226 total cpu time spent up to now is 22.1 secs Computing kpt #: 227 total cpu time spent up to now is 22.2 secs Computing kpt #: 228 total cpu time spent up to now is 22.2 secs Computing kpt #: 229 total cpu time spent up to now is 22.3 secs Computing kpt #: 230 total cpu time spent up to now is 22.4 secs Computing kpt #: 231 total cpu time spent up to now is 22.5 secs Computing kpt #: 232 total cpu time spent up to now is 22.6 secs Computing kpt #: 233 total cpu time spent up to now is 22.6 secs Computing kpt #: 234 total cpu time spent up to now is 22.7 secs Computing kpt #: 235 total cpu time spent up to now is 22.8 secs Computing kpt #: 236 total cpu time spent up to now is 22.8 secs Computing kpt #: 237 total cpu time spent up to now is 22.9 secs Computing kpt #: 238 total cpu time spent up to now is 23.0 secs Computing kpt #: 239 total cpu time spent up to now is 23.1 secs Computing kpt #: 240 total cpu time spent up to now is 23.1 secs Computing kpt #: 241 total cpu time spent up to now is 23.2 secs Computing kpt #: 242 total cpu time spent up to now is 23.3 secs Computing kpt #: 243 total cpu time spent up to now is 23.3 secs Computing kpt #: 244 total cpu time spent up to now is 23.4 secs Computing kpt #: 245 total cpu time spent up to now is 23.5 secs Computing kpt #: 246 total cpu time spent up to now is 23.5 secs Computing kpt #: 247 total cpu time spent up to now is 23.6 secs Computing kpt #: 248 total cpu time spent up to now is 23.7 secs Computing kpt #: 249 total cpu time spent up to now is 23.7 secs Computing kpt #: 250 total cpu time spent up to now is 23.8 secs Computing kpt #: 251 total cpu time spent up to now is 23.9 secs Computing kpt #: 252 total cpu time spent up to now is 23.9 secs Computing kpt #: 253 total cpu time spent up to now is 24.0 secs Computing kpt #: 254 total cpu time spent up to now is 24.1 secs Computing kpt #: 255 total cpu time spent up to now is 24.2 secs Computing kpt #: 256 total cpu time spent up to now is 24.2 secs Computing kpt #: 257 total cpu time spent up to now is 24.3 secs Computing kpt #: 258 total cpu time spent up to now is 24.4 secs Computing kpt #: 259 total cpu time spent up to now is 24.5 secs Computing kpt #: 260 total cpu time spent up to now is 24.5 secs Computing kpt #: 261 total cpu time spent up to now is 24.6 secs Computing kpt #: 262 total cpu time spent up to now is 24.7 secs Computing kpt #: 263 total cpu time spent up to now is 24.8 secs Computing kpt #: 264 total cpu time spent up to now is 24.8 secs Computing kpt #: 265 total cpu time spent up to now is 24.9 secs Computing kpt #: 266 total cpu time spent up to now is 25.0 secs Computing kpt #: 267 total cpu time spent up to now is 25.1 secs Computing kpt #: 268 total cpu time spent up to now is 25.2 secs Computing kpt #: 269 total cpu time spent up to now is 25.2 secs Computing kpt #: 270 total cpu time spent up to now is 25.3 secs Computing kpt #: 271 total cpu time spent up to now is 25.4 secs Computing kpt #: 272 total cpu time spent up to now is 25.5 secs Computing kpt #: 273 total cpu time spent up to now is 25.6 secs Computing kpt #: 274 total cpu time spent up to now is 25.6 secs Computing kpt #: 275 total cpu time spent up to now is 25.7 secs Computing kpt #: 276 total cpu time spent up to now is 25.8 secs Computing kpt #: 277 total cpu time spent up to now is 25.9 secs Computing kpt #: 278 total cpu time spent up to now is 26.0 secs Computing kpt #: 279 total cpu time spent up to now is 26.0 secs Computing kpt #: 280 total cpu time spent up to now is 26.1 secs Computing kpt #: 281 total cpu time spent up to now is 26.2 secs Computing kpt #: 282 total cpu time spent up to now is 26.3 secs Computing kpt #: 283 total cpu time spent up to now is 26.4 secs Computing kpt #: 284 total cpu time spent up to now is 26.5 secs Computing kpt #: 285 total cpu time spent up to now is 26.5 secs Computing kpt #: 286 total cpu time spent up to now is 26.6 secs Computing kpt #: 287 total cpu time spent up to now is 26.7 secs Computing kpt #: 288 total cpu time spent up to now is 26.8 secs Computing kpt #: 289 total cpu time spent up to now is 26.8 secs Computing kpt #: 290 total cpu time spent up to now is 26.9 secs Computing kpt #: 291 total cpu time spent up to now is 27.0 secs Computing kpt #: 292 total cpu time spent up to now is 27.1 secs Computing kpt #: 293 total cpu time spent up to now is 27.2 secs Computing kpt #: 294 total cpu time spent up to now is 27.2 secs Computing kpt #: 295 total cpu time spent up to now is 27.3 secs Computing kpt #: 296 total cpu time spent up to now is 27.4 secs Computing kpt #: 297 total cpu time spent up to now is 27.5 secs Computing kpt #: 298 total cpu time spent up to now is 27.5 secs Computing kpt #: 299 total cpu time spent up to now is 27.6 secs Computing kpt #: 300 total cpu time spent up to now is 27.7 secs Computing kpt #: 301 total cpu time spent up to now is 27.7 secs Computing kpt #: 302 total cpu time spent up to now is 27.8 secs Computing kpt #: 303 total cpu time spent up to now is 27.9 secs Computing kpt #: 304 total cpu time spent up to now is 28.0 secs Computing kpt #: 305 total cpu time spent up to now is 28.0 secs Computing kpt #: 306 total cpu time spent up to now is 28.1 secs Computing kpt #: 307 total cpu time spent up to now is 28.2 secs Computing kpt #: 308 total cpu time spent up to now is 28.3 secs Computing kpt #: 309 total cpu time spent up to now is 28.4 secs Computing kpt #: 310 total cpu time spent up to now is 28.4 secs Computing kpt #: 311 total cpu time spent up to now is 28.5 secs Computing kpt #: 312 total cpu time spent up to now is 28.6 secs Computing kpt #: 313 total cpu time spent up to now is 28.7 secs Computing kpt #: 314 total cpu time spent up to now is 28.8 secs Computing kpt #: 315 total cpu time spent up to now is 29.0 secs Computing kpt #: 316 total cpu time spent up to now is 29.0 secs Computing kpt #: 317 total cpu time spent up to now is 29.1 secs Computing kpt #: 318 total cpu time spent up to now is 29.2 secs Computing kpt #: 319 total cpu time spent up to now is 29.3 secs Computing kpt #: 320 total cpu time spent up to now is 29.4 secs Computing kpt #: 321 total cpu time spent up to now is 29.5 secs Computing kpt #: 322 total cpu time spent up to now is 29.6 secs Computing kpt #: 323 total cpu time spent up to now is 29.7 secs Computing kpt #: 324 total cpu time spent up to now is 29.7 secs Computing kpt #: 325 total cpu time spent up to now is 29.8 secs Computing kpt #: 326 total cpu time spent up to now is 29.9 secs Computing kpt #: 327 total cpu time spent up to now is 30.0 secs Computing kpt #: 328 total cpu time spent up to now is 30.1 secs Computing kpt #: 329 total cpu time spent up to now is 30.1 secs Computing kpt #: 330 total cpu time spent up to now is 30.2 secs Computing kpt #: 331 total cpu time spent up to now is 30.3 secs Computing kpt #: 332 total cpu time spent up to now is 30.4 secs Computing kpt #: 333 total cpu time spent up to now is 30.5 secs Computing kpt #: 334 total cpu time spent up to now is 30.6 secs Computing kpt #: 335 total cpu time spent up to now is 30.6 secs Computing kpt #: 336 total cpu time spent up to now is 30.7 secs Computing kpt #: 337 total cpu time spent up to now is 30.8 secs Computing kpt #: 338 total cpu time spent up to now is 30.9 secs Computing kpt #: 339 total cpu time spent up to now is 31.0 secs Computing kpt #: 340 total cpu time spent up to now is 31.1 secs Computing kpt #: 341 total cpu time spent up to now is 31.2 secs Computing kpt #: 342 total cpu time spent up to now is 31.3 secs Computing kpt #: 343 total cpu time spent up to now is 31.4 secs Computing kpt #: 344 total cpu time spent up to now is 31.4 secs Computing kpt #: 345 total cpu time spent up to now is 31.5 secs Computing kpt #: 346 total cpu time spent up to now is 31.6 secs Computing kpt #: 347 total cpu time spent up to now is 31.7 secs Computing kpt #: 348 total cpu time spent up to now is 31.8 secs Computing kpt #: 349 total cpu time spent up to now is 31.9 secs Computing kpt #: 350 total cpu time spent up to now is 32.0 secs Computing kpt #: 351 total cpu time spent up to now is 32.1 secs Computing kpt #: 352 total cpu time spent up to now is 32.2 secs Computing kpt #: 353 total cpu time spent up to now is 32.3 secs Computing kpt #: 354 total cpu time spent up to now is 32.4 secs Computing kpt #: 355 total cpu time spent up to now is 32.5 secs Computing kpt #: 356 total cpu time spent up to now is 32.6 secs Computing kpt #: 357 total cpu time spent up to now is 32.7 secs Computing kpt #: 358 total cpu time spent up to now is 32.8 secs Computing kpt #: 359 total cpu time spent up to now is 32.9 secs Computing kpt #: 360 total cpu time spent up to now is 32.9 secs Computing kpt #: 361 total cpu time spent up to now is 33.0 secs Computing kpt #: 362 total cpu time spent up to now is 33.0 secs Computing kpt #: 363 total cpu time spent up to now is 33.1 secs Computing kpt #: 364 total cpu time spent up to now is 33.2 secs Computing kpt #: 365 total cpu time spent up to now is 33.2 secs Computing kpt #: 366 total cpu time spent up to now is 33.3 secs Computing kpt #: 367 total cpu time spent up to now is 33.3 secs Computing kpt #: 368 total cpu time spent up to now is 33.4 secs Computing kpt #: 369 total cpu time spent up to now is 33.5 secs Computing kpt #: 370 total cpu time spent up to now is 33.5 secs Computing kpt #: 371 total cpu time spent up to now is 33.6 secs Computing kpt #: 372 total cpu time spent up to now is 33.7 secs Computing kpt #: 373 total cpu time spent up to now is 33.7 secs Computing kpt #: 374 total cpu time spent up to now is 33.8 secs Computing kpt #: 375 total cpu time spent up to now is 33.9 secs Computing kpt #: 376 total cpu time spent up to now is 33.9 secs Computing kpt #: 377 total cpu time spent up to now is 34.0 secs Computing kpt #: 378 total cpu time spent up to now is 34.0 secs Computing kpt #: 379 total cpu time spent up to now is 34.1 secs Computing kpt #: 380 total cpu time spent up to now is 34.2 secs Computing kpt #: 381 total cpu time spent up to now is 34.2 secs Computing kpt #: 382 total cpu time spent up to now is 34.3 secs Computing kpt #: 383 total cpu time spent up to now is 34.4 secs Computing kpt #: 384 total cpu time spent up to now is 34.4 secs Computing kpt #: 385 total cpu time spent up to now is 34.5 secs Computing kpt #: 386 total cpu time spent up to now is 34.6 secs Computing kpt #: 387 total cpu time spent up to now is 34.7 secs Computing kpt #: 388 total cpu time spent up to now is 34.7 secs Computing kpt #: 389 total cpu time spent up to now is 34.8 secs Computing kpt #: 390 total cpu time spent up to now is 34.9 secs Computing kpt #: 391 total cpu time spent up to now is 34.9 secs Computing kpt #: 392 total cpu time spent up to now is 35.0 secs Computing kpt #: 393 total cpu time spent up to now is 35.1 secs Computing kpt #: 394 total cpu time spent up to now is 35.1 secs Computing kpt #: 395 total cpu time spent up to now is 35.2 secs Computing kpt #: 396 total cpu time spent up to now is 35.3 secs Computing kpt #: 397 total cpu time spent up to now is 35.4 secs Computing kpt #: 398 total cpu time spent up to now is 35.4 secs Computing kpt #: 399 total cpu time spent up to now is 35.5 secs Computing kpt #: 400 total cpu time spent up to now is 35.6 secs Computing kpt #: 401 total cpu time spent up to now is 35.7 secs Computing kpt #: 402 total cpu time spent up to now is 35.7 secs Computing kpt #: 403 total cpu time spent up to now is 35.8 secs Computing kpt #: 404 total cpu time spent up to now is 35.9 secs Computing kpt #: 405 total cpu time spent up to now is 36.0 secs Computing kpt #: 406 total cpu time spent up to now is 36.1 secs Computing kpt #: 407 total cpu time spent up to now is 36.1 secs Computing kpt #: 408 total cpu time spent up to now is 36.2 secs Computing kpt #: 409 total cpu time spent up to now is 36.3 secs Computing kpt #: 410 total cpu time spent up to now is 36.4 secs Computing kpt #: 411 total cpu time spent up to now is 36.4 secs Computing kpt #: 412 total cpu time spent up to now is 36.7 secs ethr = 5.00E-08, avg # of iterations = 10.8 total cpu time spent up to now is 36.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1213 PWs) bands (ev): -65.6385 -65.6385 -34.0082 -34.0082 -21.8093 -21.8093 -21.8093 -21.8093 6.4741 6.4741 14.9273 14.9273 14.9273 14.9273 19.6586 19.6586 19.6586 19.6586 20.3309 20.3309 21.9958 21.9958 22.7614 22.7614 22.7614 22.7614 29.4512 29.4512 k = 0.0000 0.0093-0.0000 ( 1213 PWs) bands (ev): -65.6384 -65.6384 -34.0083 -34.0083 -21.8095 -21.8095 -21.8092 -21.8092 6.4759 6.4759 14.9275 14.9275 14.9280 14.9280 19.6524 19.6524 19.6571 19.6571 20.3266 20.3266 21.9996 21.9996 22.7578 22.7578 22.7687 22.7687 29.4578 29.4578 k = 0.0000 0.0185-0.0000 ( 1213 PWs) bands (ev): -65.6384 -65.6384 -34.0084 -34.0084 -21.8100 -21.8100 -21.8092 -21.8092 6.4812 6.4812 14.9282 14.9282 14.9301 14.9301 19.6343 19.6343 19.6525 19.6525 20.3139 20.3139 22.0103 22.0103 22.7479 22.7479 22.7902 22.7902 29.4772 29.4772 k = 0.0000 0.0278-0.0000 ( 1213 PWs) bands (ev): -65.6384 -65.6384 -34.0085 -34.0085 -21.8109 -21.8109 -21.8090 -21.8090 6.4900 6.4900 14.9294 14.9294 14.9337 14.9337 19.6048 19.6048 19.6445 19.6445 20.2937 20.2937 22.0255 22.0255 22.7337 22.7337 22.8255 22.8255 29.5078 29.5078 k = 0.0000 0.0370-0.0000 ( 1217 PWs) bands (ev): -65.6383 -65.6383 -34.0087 -34.0087 -21.8122 -21.8122 -21.8089 -21.8089 6.5024 6.5024 14.9308 14.9308 14.9388 14.9388 19.5649 19.5649 19.6326 19.6326 20.2675 20.2675 22.0415 22.0415 22.7189 22.7189 22.8736 22.8736 29.5470 29.5470 k = 0.0000 0.0463-0.0000 ( 1217 PWs) bands (ev): -65.6382 -65.6382 -34.0090 -34.0090 -21.8139 -21.8139 -21.8086 -21.8086 6.5182 6.5182 14.9326 14.9326 14.9452 14.9452 19.5156 19.5156 19.6161 19.6161 20.2372 20.2372 22.0527 22.0527 22.7091 22.7091 22.9333 22.9333 29.5919 29.5919 k = 0.0000 0.0556-0.0000 ( 1217 PWs) bands (ev): -65.6382 -65.6382 -34.0093 -34.0093 -21.8158 -21.8158 -21.8084 -21.8084 6.5376 6.5376 14.9343 14.9343 14.9531 14.9531 19.4584 19.4584 19.5941 19.5941 20.2048 20.2048 22.0525 22.0525 22.7108 22.7108 23.0034 23.0034 29.6388 29.6388 k = 0.0000 0.0648-0.0000 ( 1213 PWs) bands (ev): -65.6380 -65.6380 -34.0097 -34.0097 -21.8181 -21.8181 -21.8080 -21.8080 6.5604 6.5604 14.9360 14.9360 14.9624 14.9624 19.3943 19.3943 19.5659 19.5659 20.1724 20.1724 22.0353 22.0353 22.7298 22.7298 23.0827 23.0827 29.6848 29.6848 k = 0.0000 0.0741-0.0000 ( 1213 PWs) bands (ev): -65.6379 -65.6379 -34.0101 -34.0101 -21.8208 -21.8208 -21.8077 -21.8077 6.5867 6.5867 14.9373 14.9373 14.9730 14.9730 19.3245 19.3245 19.5305 19.5305 20.1420 20.1420 21.9989 21.9989 22.7686 22.7686 23.1700 23.1700 29.7275 29.7275 k = 0.0000 0.0833-0.0000 ( 1213 PWs) bands (ev): -65.6378 -65.6378 -34.0106 -34.0106 -21.8238 -21.8238 -21.8073 -21.8073 6.6165 6.6165 14.9380 14.9380 14.9850 14.9850 19.2501 19.2501 19.4875 19.4875 20.1150 20.1150 21.9450 21.9450 22.8260 22.8260 23.2643 23.2643 29.7659 29.7659 k = 0.0000 0.0926-0.0000 ( 1213 PWs) bands (ev): -65.6376 -65.6376 -34.0112 -34.0112 -21.8271 -21.8271 -21.8068 -21.8068 6.6497 6.6497 14.9378 14.9378 14.9983 14.9983 19.1720 19.1720 19.4371 19.4371 20.0923 20.0923 21.8771 21.8771 22.8990 22.8990 23.3646 23.3646 29.6877 29.6877 k = 0.0000 0.1019-0.0000 ( 1205 PWs) bands (ev): -65.6374 -65.6374 -34.0118 -34.0118 -21.8307 -21.8307 -21.8063 -21.8063 6.6863 6.6863 14.9363 14.9363 15.0130 15.0130 19.0911 19.0911 19.3797 19.3797 20.0744 20.0744 21.7992 21.7992 22.9842 22.9842 23.4702 23.4702 29.5832 29.5832 k = 0.0000 0.1111-0.0000 ( 1213 PWs) bands (ev): -65.6372 -65.6372 -34.0125 -34.0125 -21.8346 -21.8346 -21.8058 -21.8058 6.7263 6.7263 14.9331 14.9331 15.0288 15.0288 19.0078 19.0078 19.3161 19.3161 20.0608 20.0608 21.7147 21.7147 23.0790 23.0790 23.5803 23.5803 29.4726 29.4726 k = 0.0000 0.1204-0.0000 ( 1217 PWs) bands (ev): -65.6371 -65.6371 -34.0132 -34.0132 -21.8388 -21.8388 -21.8052 -21.8052 6.7696 6.7696 14.9278 14.9278 15.0459 15.0459 18.9230 18.9230 19.2473 19.2473 20.0513 20.0513 21.6265 21.6265 23.1813 23.1813 23.6943 23.6943 29.3569 29.3569 k = 0.0000 0.1296-0.0000 ( 1217 PWs) bands (ev): -65.6369 -65.6369 -34.0139 -34.0139 -21.8432 -21.8432 -21.8046 -21.8046 6.8163 6.8163 14.9202 14.9202 15.0643 15.0643 18.8372 18.8372 19.1745 19.1745 20.0454 20.0454 21.5368 21.5368 23.2895 23.2895 23.8118 23.8118 29.2366 29.2366 k = 0.0000 0.1389-0.0000 ( 1217 PWs) bands (ev): -65.6366 -65.6366 -34.0147 -34.0147 -21.8479 -21.8479 -21.8040 -21.8040 6.8662 6.8662 14.9096 14.9096 15.0838 15.0838 18.7508 18.7508 19.0986 19.0986 20.0425 20.0425 21.4475 21.4475 23.4027 23.4027 23.9323 23.9323 29.1124 29.1124 k = 0.0000 0.1481-0.0000 ( 1225 PWs) bands (ev): -65.6364 -65.6364 -34.0155 -34.0155 -21.8528 -21.8528 -21.8033 -21.8033 6.9194 6.9194 14.8956 14.8956 15.1044 15.1044 18.6641 18.6641 19.0203 19.0203 20.0421 20.0421 21.3602 21.3602 23.5198 23.5198 24.0554 24.0554 28.9850 28.9850 k = 0.0000 0.1574-0.0000 ( 1217 PWs) bands (ev): -65.6361 -65.6361 -34.0164 -34.0164 -21.8579 -21.8579 -21.8026 -21.8026 6.9759 6.9759 14.8777 14.8777 15.1261 15.1261 18.5777 18.5777 18.9408 18.9408 20.0439 20.0439 21.2763 21.2763 23.6405 23.6405 24.1809 24.1809 28.8550 28.8550 k = 0.0000 0.1667-0.0000 ( 1217 PWs) bands (ev): -65.6359 -65.6359 -34.0173 -34.0173 -21.8632 -21.8632 -21.8018 -21.8018 7.0355 7.0355 14.8556 14.8556 15.1488 15.1488 18.4917 18.4917 18.8602 18.8602 20.0474 20.0474 21.1969 21.1969 23.7640 23.7640 24.3085 24.3085 28.7229 28.7229 k = 0.0000 0.1759-0.0000 ( 1217 PWs) bands (ev): -65.6356 -65.6356 -34.0182 -34.0182 -21.8687 -21.8687 -21.8011 -21.8011 7.0982 7.0982 14.8286 14.8286 15.1724 15.1724 18.4063 18.4063 18.7792 18.7792 20.0524 20.0524 21.1231 21.1231 23.8901 23.8901 24.4379 24.4379 28.5893 28.5893 k = 0.0000 0.1852-0.0000 ( 1225 PWs) bands (ev): -65.6354 -65.6354 -34.0192 -34.0192 -21.8743 -21.8743 -21.8003 -21.8003 7.1641 7.1641 14.7963 14.7963 15.1970 15.1970 18.3219 18.3219 18.6982 18.6982 20.0585 20.0585 21.0558 21.0558 24.0183 24.0183 24.5689 24.5689 28.4547 28.4547 k = 0.0000 0.1944-0.0000 ( 1217 PWs) bands (ev): -65.6351 -65.6351 -34.0201 -34.0201 -21.8801 -21.8801 -21.7995 -21.7995 7.2330 7.2330 14.7584 14.7584 15.2224 15.2224 18.2388 18.2388 18.6178 18.6178 20.0658 20.0658 20.9958 20.9958 24.1485 24.1485 24.7014 24.7014 28.3194 28.3194 k = 0.0000 0.2037-0.0000 ( 1217 PWs) bands (ev): -65.6348 -65.6348 -34.0212 -34.0212 -21.8860 -21.8860 -21.7987 -21.7987 7.3050 7.3050 14.7145 14.7145 15.2486 15.2486 18.1570 18.1570 18.5381 18.5381 20.0740 20.0740 20.9437 20.9437 24.2805 24.2805 24.8353 24.8353 28.1841 28.1841 k = 0.0000 0.2130-0.0000 ( 1217 PWs) bands (ev): -65.6345 -65.6345 -34.0222 -34.0222 -21.8919 -21.8919 -21.7978 -21.7978 7.3800 7.3800 14.6643 14.6643 15.2755 15.2755 18.0767 18.0767 18.4593 18.4593 20.0829 20.0829 20.9001 20.9001 24.4140 24.4140 24.9704 24.9704 28.0489 28.0489 k = 0.0000 0.2222-0.0000 ( 1217 PWs) bands (ev): -65.6342 -65.6342 -34.0232 -34.0232 -21.8980 -21.8980 -21.7970 -21.7970 7.4578 7.4578 14.6076 14.6076 15.3030 15.3030 17.9982 17.9982 18.3817 18.3817 20.0925 20.0925 20.8652 20.8652 24.5490 24.5490 25.1067 25.1067 27.9144 27.9144 k = 0.0000 0.2315-0.0000 ( 1217 PWs) bands (ev): -65.6339 -65.6339 -34.0243 -34.0243 -21.9041 -21.9041 -21.7961 -21.7961 7.5386 7.5386 14.5442 14.5442 15.3311 15.3311 17.9214 17.9214 18.3056 18.3056 20.1026 20.1026 20.8394 20.8394 24.6853 24.6853 25.2440 25.2440 27.7809 27.7809 k = 0.0000 0.2407-0.0000 ( 1217 PWs) bands (ev): -65.6336 -65.6336 -34.0253 -34.0253 -21.9103 -21.9103 -21.7953 -21.7953 7.6222 7.6222 14.4742 14.4742 15.3596 15.3596 17.8467 17.8467 18.2310 18.2310 20.1131 20.1131 20.8228 20.8228 24.8228 24.8228 25.3823 25.3823 27.6488 27.6488 k = 0.0000 0.2500-0.0000 ( 1221 PWs) bands (ev): -65.6333 -65.6333 -34.0264 -34.0264 -21.9164 -21.9164 -21.7944 -21.7944 7.7086 7.7086 14.3975 14.3975 15.3884 15.3884 17.7740 17.7740 18.1582 18.1582 20.1240 20.1240 20.8154 20.8154 24.9614 24.9614 25.5214 25.5214 27.5183 27.5183 k = 0.0000 0.2593-0.0000 ( 1217 PWs) bands (ev): -65.6330 -65.6330 -34.0275 -34.0275 -21.9226 -21.9226 -21.7936 -21.7936 7.7977 7.7977 14.3143 14.3143 15.4176 15.4176 17.7036 17.7036 18.0874 18.0874 20.1352 20.1352 20.8170 20.8170 25.1010 25.1010 25.6615 25.6615 27.3898 27.3898 k = 0.0000 0.2685-0.0000 ( 1217 PWs) bands (ev): -65.6327 -65.6327 -34.0285 -34.0285 -21.9287 -21.9287 -21.7927 -21.7927 7.8896 7.8896 14.2248 14.2248 15.4469 15.4469 17.6354 17.6354 18.0185 18.0185 20.1466 20.1466 20.8275 20.8275 25.2416 25.2416 25.8023 25.8023 27.2636 27.2636 k = 0.0000 0.2778-0.0000 ( 1217 PWs) bands (ev): -65.6324 -65.6324 -34.0296 -34.0296 -21.9347 -21.9347 -21.7918 -21.7918 7.9841 7.9841 14.1292 14.1292 15.4764 15.4764 17.5695 17.5695 17.9518 17.9518 20.1582 20.1582 20.8464 20.8464 25.3831 25.3831 25.9439 25.9439 27.1400 27.1400 k = 0.0000 0.2870-0.0000 ( 1217 PWs) bands (ev): -65.6321 -65.6321 -34.0306 -34.0306 -21.9407 -21.9407 -21.7910 -21.7910 8.0812 8.0812 14.0277 14.0277 15.5058 15.5058 17.5059 17.5059 17.8872 17.8872 20.1698 20.1698 20.8735 20.8735 25.5255 25.5255 26.0861 26.0861 27.0193 27.0193 k = 0.0000 0.2963-0.0000 ( 1213 PWs) bands (ev): -65.6318 -65.6318 -34.0316 -34.0316 -21.9466 -21.9466 -21.7902 -21.7902 8.1808 8.1808 13.9209 13.9209 15.5351 15.5351 17.4448 17.4448 17.8251 17.8251 20.1814 20.1814 20.9082 20.9082 25.6688 25.6688 26.2287 26.2287 26.9021 26.9021 k = 0.0000 0.3056-0.0000 ( 1213 PWs) bands (ev): -65.6315 -65.6315 -34.0327 -34.0327 -21.9524 -21.9524 -21.7893 -21.7893 8.2829 8.2829 13.8090 13.8090 15.5642 15.5642 17.3861 17.3861 17.7653 17.7653 20.1930 20.1930 20.9498 20.9498 25.8127 25.8127 26.3710 26.3710 26.7893 26.7893 k = 0.0000 0.3148-0.0000 ( 1201 PWs) bands (ev): -65.6312 -65.6312 -34.0336 -34.0336 -21.9580 -21.9580 -21.7885 -21.7885 8.3875 8.3875 13.6925 13.6925 15.5930 15.5930 17.3301 17.3301 17.7081 17.7081 20.2045 20.2045 20.9978 20.9978 25.9574 25.9574 26.5081 26.5081 26.6859 26.6859 k = 0.0000 0.3241-0.0000 ( 1201 PWs) bands (ev): -65.6310 -65.6310 -34.0346 -34.0346 -21.9635 -21.9635 -21.7877 -21.7877 8.4944 8.4944 13.5717 13.5717 15.6213 15.6213 17.2765 17.2765 17.6533 17.6533 20.2159 20.2159 21.0515 21.0515 26.1028 26.1028 26.5470 26.5470 26.6852 26.6852 k = 0.0000 0.3333-0.0000 ( 1201 PWs) bands (ev): -65.6307 -65.6307 -34.0355 -34.0355 -21.9689 -21.9689 -21.7869 -21.7869 8.6036 8.6036 13.4471 13.4471 15.6489 15.6489 17.2254 17.2254 17.6012 17.6012 20.2270 20.2270 21.1101 21.1101 26.2489 26.2489 26.4554 26.4554 26.8198 26.8198 k = 0.0000 0.3426-0.0000 ( 1201 PWs) bands (ev): -65.6304 -65.6304 -34.0365 -34.0365 -21.9740 -21.9740 -21.7862 -21.7862 8.7151 8.7151 13.3191 13.3191 15.6759 15.6759 17.1769 17.1769 17.5517 17.5517 20.2378 20.2378 21.1730 21.1730 26.3584 26.3584 26.3955 26.3955 26.9648 26.9648 k = 0.0000 0.3519-0.0000 ( 1201 PWs) bands (ev): -65.6302 -65.6302 -34.0373 -34.0373 -21.9790 -21.9790 -21.7855 -21.7855 8.8288 8.8288 13.1881 13.1881 15.7021 15.7021 17.1310 17.1310 17.5049 17.5049 20.2484 20.2484 21.2392 21.2392 26.2644 26.2644 26.5426 26.5426 27.1119 27.1119 k = 0.0000 0.3611-0.0000 ( 1201 PWs) bands (ev): -65.6300 -65.6300 -34.0382 -34.0382 -21.9837 -21.9837 -21.7848 -21.7848 8.9447 8.9447 13.0545 13.0545 15.7273 15.7273 17.0877 17.0877 17.4608 17.4608 20.2585 20.2585 21.3080 21.3080 26.1745 26.1745 26.6902 26.6902 27.2604 27.2604 k = 0.0000 0.3704-0.0000 ( 1201 PWs) bands (ev): -65.6297 -65.6297 -34.0390 -34.0390 -21.9882 -21.9882 -21.7842 -21.7842 9.0626 9.0626 12.9186 12.9186 15.7515 15.7515 17.0472 17.0472 17.4196 17.4196 20.2683 20.2683 21.3785 21.3785 26.0892 26.0892 26.8381 26.8381 27.4098 27.4098 k = 0.0000 0.3796-0.0000 ( 1201 PWs) bands (ev): -65.6295 -65.6295 -34.0397 -34.0397 -21.9925 -21.9925 -21.7835 -21.7835 9.1825 9.1825 12.7808 12.7808 15.7745 15.7745 17.0093 17.0093 17.3811 17.3811 20.2776 20.2776 21.4499 21.4499 26.0088 26.0088 26.9863 26.9863 27.5602 27.5602 k = 0.0000 0.3889-0.0000 ( 1201 PWs) bands (ev): -65.6293 -65.6293 -34.0404 -34.0404 -21.9965 -21.9965 -21.7830 -21.7830 9.3043 9.3043 12.6415 12.6415 15.7963 15.7963 16.9741 16.9741 17.3455 17.3455 20.2864 20.2864 21.5211 21.5211 25.9334 25.9334 27.1346 27.1346 27.7116 27.7116 k = 0.0000 0.3981-0.0000 ( 1210 PWs) bands (ev): -65.6292 -65.6292 -34.0411 -34.0411 -22.0003 -22.0003 -21.7825 -21.7825 9.4279 9.4279 12.5009 12.5009 15.8167 15.8167 16.9417 16.9417 17.3128 17.3128 20.2944 20.2944 21.5912 21.5912 25.8634 25.8634 27.2828 27.2828 27.8638 27.8638 k = 0.0000 0.4074-0.0000 ( 1206 PWs) bands (ev): -65.6290 -65.6290 -34.0417 -34.0417 -22.0037 -22.0037 -21.7820 -21.7820 9.5532 9.5532 12.3594 12.3594 15.8356 15.8356 16.9120 16.9120 17.2830 17.2830 20.3022 20.3022 21.6595 21.6595 25.7988 25.7988 27.4307 27.4307 28.0169 28.0169 k = 0.0000 0.4167-0.0000 ( 1206 PWs) bands (ev): -65.6288 -65.6288 -34.0423 -34.0423 -22.0069 -22.0069 -21.7815 -21.7815 9.6802 9.6802 12.2173 12.2173 15.8530 15.8530 16.8851 16.8851 17.2560 17.2560 20.3093 20.3093 21.7249 21.7249 25.7399 25.7399 27.5780 27.5780 28.1709 28.1709 k = 0.0000 0.4259-0.0000 ( 1206 PWs) bands (ev): -65.6287 -65.6287 -34.0428 -34.0428 -22.0097 -22.0097 -21.7811 -21.7811 9.8085 9.8085 12.0749 12.0749 15.8687 15.8687 16.8610 16.8610 17.2319 17.2319 20.3157 20.3157 21.7865 21.7865 25.6867 25.6867 27.7241 27.7241 28.3258 28.3258 k = 0.0000 0.4352-0.0000 ( 1214 PWs) bands (ev): -65.6286 -65.6286 -34.0433 -34.0433 -22.0123 -22.0123 -21.7808 -21.7808 9.9382 9.9382 11.9326 11.9326 15.8827 15.8827 16.8396 16.8396 17.2106 17.2106 20.3214 20.3214 21.8434 21.8434 25.6394 25.6394 27.8683 27.8683 28.4816 28.4816 k = 0.0000 0.4444-0.0000 ( 1214 PWs) bands (ev): -65.6285 -65.6285 -34.0437 -34.0437 -22.0145 -22.0145 -21.7805 -21.7805 10.0688 10.0688 11.7907 11.7907 15.8950 15.8950 16.8211 16.8211 17.1922 17.1922 20.3265 20.3265 21.8948 21.8948 25.5982 25.5982 28.0098 28.0098 28.6383 28.6383 k = 0.0000 0.4537-0.0000 ( 1210 PWs) bands (ev): -65.6284 -65.6284 -34.0440 -34.0440 -22.0164 -22.0164 -21.7802 -21.7802 10.2001 10.2001 11.6498 11.6498 15.9054 15.9054 16.8054 16.8054 17.1767 17.1767 20.3308 20.3308 21.9400 21.9400 25.5632 25.5632 28.1469 28.1469 28.7957 28.7957 k = 0.0000 0.4630-0.0000 ( 1210 PWs) bands (ev): -65.6283 -65.6283 -34.0443 -34.0443 -22.0179 -22.0179 -21.7800 -21.7800 10.3311 10.3311 11.5107 11.5107 15.9141 15.9141 16.7926 16.7926 17.1640 17.1640 20.3343 20.3343 21.9779 21.9779 25.5344 25.5344 28.2771 28.2771 28.9538 28.9538 k = 0.0000 0.4722-0.0000 ( 1218 PWs) bands (ev): -65.6283 -65.6283 -34.0445 -34.0445 -22.0192 -22.0192 -21.7798 -21.7798 10.4604 10.4604 11.3750 11.3750 15.9208 15.9208 16.7825 16.7825 17.1541 17.1541 20.3371 20.3371 22.0080 22.0080 25.5119 25.5119 28.3961 28.3961 29.1120 29.1120 k = 0.0000 0.4815-0.0000 ( 1222 PWs) bands (ev): -65.6282 -65.6282 -34.0447 -34.0447 -22.0201 -22.0201 -21.7797 -21.7797 10.5842 10.5842 11.2465 11.2465 15.9257 15.9257 16.7753 16.7753 17.1471 17.1471 20.3391 20.3391 22.0299 22.0299 25.4958 25.4958 28.4965 28.4965 29.2694 29.2694 k = 0.0000 0.4907-0.0000 ( 1222 PWs) bands (ev): -65.6282 -65.6282 -34.0447 -34.0447 -22.0206 -22.0206 -21.7796 -21.7796 10.6907 10.6907 11.1373 11.1373 15.9286 15.9286 16.7710 16.7710 17.1429 17.1429 20.3403 20.3403 22.0432 22.0432 25.4861 25.4861 28.5667 28.5667 29.4205 29.4205 k = 0.0000 0.5000-0.0000 ( 1222 PWs) bands (ev): -65.6282 -65.6282 -34.0448 -34.0448 -22.0208 -22.0208 -21.7796 -21.7796 10.7405 10.7405 11.0865 11.0865 15.9295 15.9295 16.7696 16.7696 17.1415 17.1415 20.3407 20.3407 22.0477 22.0477 25.4829 25.4829 28.5925 28.5925 29.4431 29.4431 k = 0.0000 0.5000-0.0000 ( 1222 PWs) bands (ev): -65.6282 -65.6282 -34.0448 -34.0448 -22.0208 -22.0208 -21.7796 -21.7796 10.7405 10.7405 11.0865 11.0865 15.9295 15.9295 16.7696 16.7696 17.1415 17.1415 20.3407 20.3407 22.0477 22.0477 25.4829 25.4829 28.5925 28.5925 29.4431 29.4431 k = 0.0093 0.5000-0.0000 ( 1222 PWs) bands (ev): -65.6282 -65.6282 -34.0448 -34.0448 -22.0208 -22.0208 -21.7797 -21.7797 10.7405 10.7405 11.0886 11.0886 15.9305 15.9305 16.7692 16.7692 17.1410 17.1410 20.3378 20.3378 22.0475 22.0475 25.4861 25.4861 28.5878 28.5878 29.4312 29.4312 k = 0.0185 0.5000-0.0000 ( 1222 PWs) bands (ev): -65.6282 -65.6282 -34.0449 -34.0449 -22.0208 -22.0208 -21.7801 -21.7801 10.7403 10.7403 11.0949 11.0949 15.9335 15.9335 16.7679 16.7679 17.1396 17.1396 20.3290 20.3290 22.0471 22.0471 25.4956 25.4956 28.5729 28.5729 29.3951 29.3951 k = 0.0278 0.5000-0.0000 ( 1222 PWs) bands (ev): -65.6281 -65.6281 -34.0450 -34.0450 -22.0209 -22.0209 -21.7807 -21.7807 10.7400 10.7400 11.1053 11.1053 15.9384 15.9384 16.7655 16.7655 17.1373 17.1373 20.3146 20.3146 22.0465 22.0465 25.5114 25.5114 28.5454 28.5454 29.3346 29.3346 k = 0.0370 0.5000-0.0000 ( 1214 PWs) bands (ev): -65.6280 -65.6280 -34.0452 -34.0452 -22.0210 -22.0210 -21.7815 -21.7815 10.7396 10.7396 11.1199 11.1199 15.9453 15.9453 16.7621 16.7621 17.1346 17.1346 20.2947 20.2947 22.0456 22.0456 25.5332 25.5332 28.5020 28.5020 29.2525 29.2525 k = 0.0463 0.5000-0.0000 ( 1210 PWs) bands (ev): -65.6279 -65.6279 -34.0455 -34.0455 -22.0212 -22.0212 -21.7826 -21.7826 10.7391 10.7391 11.1385 11.1385 15.9539 15.9539 16.7573 16.7573 17.1316 17.1316 20.2693 20.2693 22.0445 22.0445 25.5606 25.5606 28.4402 28.4402 29.1540 29.1540 k = 0.0556 0.5000-0.0000 ( 1210 PWs) bands (ev): -65.6278 -65.6278 -34.0458 -34.0458 -22.0214 -22.0214 -21.7839 -21.7839 10.7386 10.7386 11.1612 11.1612 15.9644 15.9644 16.7508 16.7508 17.1289 17.1289 20.2387 20.2387 22.0430 22.0430 25.5932 25.5932 28.3592 28.3592 29.0447 29.0447 k = 0.0648 0.5000-0.0000 ( 1206 PWs) bands (ev): -65.6277 -65.6277 -34.0461 -34.0461 -22.0216 -22.0216 -21.7854 -21.7854 10.7380 10.7380 11.1878 11.1878 15.9767 15.9767 16.7425 16.7425 17.1267 17.1267 20.2032 20.2032 22.0413 22.0413 25.6306 25.6306 28.2601 28.2601 28.9293 28.9293 k = 0.0741 0.5000-0.0000 ( 1206 PWs) bands (ev): -65.6276 -65.6276 -34.0465 -34.0465 -22.0218 -22.0218 -21.7872 -21.7872 10.7374 10.7374 11.2184 11.2184 15.9905 15.9905 16.7320 16.7320 17.1257 17.1257 20.1631 20.1631 22.0393 22.0393 25.6719 25.6719 28.1450 28.1450 28.8118 28.8118 k = 0.0833 0.5000-0.0000 ( 1202 PWs) bands (ev): -65.6274 -65.6274 -34.0470 -34.0470 -22.0222 -22.0222 -21.7891 -21.7891 10.7367 10.7367 11.2529 11.2529 16.0059 16.0059 16.7194 16.7194 17.1261 17.1261 20.1187 20.1187 22.0370 22.0370 25.7165 25.7165 28.0165 28.0165 28.6953 28.6953 k = 0.0926 0.5000-0.0000 ( 1206 PWs) bands (ev): -65.6273 -65.6273 -34.0475 -34.0475 -22.0226 -22.0226 -21.7913 -21.7913 10.7359 10.7359 11.2911 11.2911 16.0226 16.0226 16.7043 16.7043 17.1283 17.1283 20.0703 20.0703 22.0343 22.0343 25.7632 25.7632 27.8770 27.8770 28.5826 28.5826 k = 0.1019 0.5000-0.0000 ( 1206 PWs) bands (ev): -65.6271 -65.6271 -34.0480 -34.0480 -22.0230 -22.0230 -21.7936 -21.7936 10.7351 10.7351 11.3332 11.3332 16.0406 16.0406 16.6871 16.6871 17.1324 17.1324 20.0185 20.0185 22.0313 22.0313 25.8111 25.8111 27.7288 27.7288 28.4757 28.4757 k = 0.1111 0.5000-0.0000 ( 1200 PWs) bands (ev): -65.6269 -65.6269 -34.0486 -34.0486 -22.0235 -22.0235 -21.7960 -21.7960 10.7342 10.7342 11.3789 11.3789 16.0596 16.0596 16.6679 16.6679 17.1388 17.1388 19.9635 19.9635 22.0281 22.0281 25.8587 25.8587 27.5740 27.5740 28.3765 28.3765 k = 0.1204 0.5000-0.0000 ( 1200 PWs) bands (ev): -65.6267 -65.6267 -34.0493 -34.0493 -22.0241 -22.0241 -21.7986 -21.7986 10.7333 10.7333 11.4282 11.4282 16.0792 16.0792 16.6470 16.6470 17.1472 17.1472 19.9056 19.9056 22.0244 22.0244 25.9043 25.9043 27.4144 27.4144 28.2866 28.2866 k = 0.1296 0.5000-0.0000 ( 1200 PWs) bands (ev): -65.6265 -65.6265 -34.0500 -34.0500 -22.0248 -22.0248 -21.8014 -21.8014 10.7322 10.7322 11.4812 11.4812 16.0992 16.0992 16.6249 16.6249 17.1577 17.1577 19.8453 19.8453 22.0202 22.0202 25.9462 25.9462 27.2517 27.2517 28.2078 28.2078 k = 0.1389 0.5000-0.0000 ( 1200 PWs) bands (ev): -65.6263 -65.6263 -34.0507 -34.0507 -22.0255 -22.0255 -21.8042 -21.8042 10.7311 10.7311 11.5376 11.5376 16.1190 16.1190 16.6024 16.6024 17.1703 17.1703 19.7828 19.7828 22.0157 22.0157 25.9823 25.9823 27.0873 27.0873 28.1418 28.1418 k = 0.1481 0.5000-0.0000 ( 1204 PWs) bands (ev): -65.6261 -65.6261 -34.0514 -34.0514 -22.0264 -22.0264 -21.8071 -21.8071 10.7297 10.7297 11.5974 11.5974 16.1381 16.1381 16.5800 16.5800 17.1847 17.1847 19.7186 19.7186 22.0106 22.0106 26.0104 26.0104 26.9225 26.9225 28.0904 28.0904 k = 0.1574 0.5000-0.0000 ( 1204 PWs) bands (ev): -65.6259 -65.6259 -34.0522 -34.0522 -22.0274 -22.0274 -21.8101 -21.8101 10.7283 10.7283 11.6606 11.6606 16.1557 16.1557 16.5587 16.5587 17.2009 17.2009 19.6529 19.6529 22.0050 22.0050 26.0284 26.0284 26.7586 26.7586 28.0552 28.0552 k = 0.1667 0.5000-0.0000 ( 1198 PWs) bands (ev): -65.6256 -65.6256 -34.0531 -34.0531 -22.0284 -22.0284 -21.8131 -21.8131 10.7267 10.7267 11.7271 11.7271 16.1708 16.1708 16.5398 16.5398 17.2188 17.2188 19.5862 19.5862 21.9990 21.9990 26.0343 26.0343 26.5967 26.5967 28.0376 28.0376 k = 0.1759 0.5000-0.0000 ( 1200 PWs) bands (ev): -65.6253 -65.6253 -34.0539 -34.0539 -22.0296 -22.0296 -21.8161 -21.8161 10.7249 10.7249 11.7967 11.7967 16.1821 16.1821 16.5245 16.5245 17.2381 17.2381 19.5187 19.5187 21.9924 21.9924 26.0265 26.0265 26.4381 26.4381 28.0382 28.0382 k = 0.1852 0.5000-0.0000 ( 1200 PWs) bands (ev): -65.6251 -65.6251 -34.0548 -34.0548 -22.0308 -22.0308 -21.8191 -21.8191 10.7229 10.7229 11.8694 11.8694 16.1884 16.1884 16.5141 16.5141 17.2587 17.2587 19.4506 19.4506 21.9851 21.9851 26.0031 26.0031 26.2852 26.2852 28.0563 28.0563 k = 0.1944 0.5000-0.0000 ( 1200 PWs) bands (ev): -65.6248 -65.6248 -34.0557 -34.0557 -22.0322 -22.0322 -21.8222 -21.8222 10.7206 10.7206 11.9452 11.9452 16.1887 16.1887 16.5096 16.5096 17.2806 17.2806 19.3823 19.3823 21.9772 21.9772 25.9603 25.9603 26.1429 26.1429 28.0855 28.0855 k = 0.2037 0.5000-0.0000 ( 1200 PWs) bands (ev): -65.6245 -65.6245 -34.0566 -34.0566 -22.0338 -22.0338 -21.8251 -21.8251 10.7182 10.7182 12.0238 12.0238 16.1827 16.1827 16.5113 16.5113 17.3035 17.3035 19.3140 19.3140 21.9686 21.9686 25.8864 25.8864 26.0245 26.0245 28.0361 28.0361 k = 0.2130 0.5000-0.0000 ( 1200 PWs) bands (ev): -65.6242 -65.6242 -34.0576 -34.0576 -22.0354 -22.0354 -21.8281 -21.8281 10.7156 10.7156 12.1052 12.1052 16.1711 16.1711 16.5186 16.5186 17.3274 17.3274 19.2459 19.2459 21.9594 21.9594 25.7748 25.7748 25.9386 25.9386 27.9329 27.9329 k = 0.2222 0.5000-0.0000 ( 1204 PWs) bands (ev): -65.6240 -65.6240 -34.0585 -34.0585 -22.0372 -22.0372 -21.8309 -21.8309 10.7127 10.7127 12.1893 12.1893 16.1547 16.1547 16.5302 16.5302 17.3520 17.3520 19.1782 19.1782 21.9495 21.9495 25.6460 25.6460 25.8669 25.8669 27.8267 27.8267 k = 0.2315 0.5000-0.0000 ( 1200 PWs) bands (ev): -65.6237 -65.6237 -34.0595 -34.0595 -22.0391 -22.0391 -21.8337 -21.8337 10.7096 10.7096 12.2760 12.2760 16.1351 16.1351 16.5448 16.5448 17.3774 17.3774 19.1113 19.1113 21.9390 21.9390 25.5150 25.5150 25.7965 25.7965 27.7201 27.7201 k = 0.2407 0.5000-0.0000 ( 1200 PWs) bands (ev): -65.6234 -65.6234 -34.0604 -34.0604 -22.0411 -22.0411 -21.8363 -21.8363 10.7063 10.7063 12.3651 12.3651 16.1132 16.1132 16.5612 16.5612 17.4033 17.4033 19.0451 19.0451 21.9279 21.9279 25.3868 25.3868 25.7241 25.7241 27.6137 27.6137 k = 0.2500 0.5000-0.0000 ( 1200 PWs) bands (ev): -65.6231 -65.6231 -34.0614 -34.0614 -22.0432 -22.0432 -21.8389 -21.8389 10.7027 10.7027 12.4566 12.4566 16.0900 16.0900 16.5781 16.5781 17.4296 17.4296 18.9800 18.9800 21.9163 21.9163 25.2633 25.2633 25.6497 25.6497 27.5081 27.5081 k = 0.2593 0.5000-0.0000 ( 1200 PWs) bands (ev): -65.6228 -65.6228 -34.0624 -34.0624 -22.0455 -22.0455 -21.8414 -21.8414 10.6990 10.6990 12.5503 12.5503 16.0661 16.0661 16.5948 16.5948 17.4562 17.4562 18.9160 18.9160 21.9041 21.9041 25.1453 25.1453 25.5736 25.5736 27.4035 27.4035 k = 0.2685 0.5000-0.0000 ( 1200 PWs) bands (ev): -65.6225 -65.6225 -34.0634 -34.0634 -22.0478 -22.0478 -21.8437 -21.8437 10.6950 10.6950 12.6460 12.6460 16.0421 16.0421 16.6104 16.6104 17.4829 17.4829 18.8534 18.8534 21.8916 21.8916 25.0334 25.0334 25.4966 25.4966 27.3002 27.3002 k = 0.2778 0.5000-0.0000 ( 1204 PWs) bands (ev): -65.6222 -65.6222 -34.0643 -34.0643 -22.0503 -22.0503 -21.8459 -21.8459 10.6908 10.6908 12.7438 12.7438 16.0182 16.0182 16.6243 16.6243 17.5096 17.5096 18.7922 18.7922 21.8790 21.8790 24.9279 24.9279 25.4193 25.4193 27.1985 27.1985 k = 0.2870 0.5000-0.0000 ( 1200 PWs) bands (ev): -65.6219 -65.6219 -34.0653 -34.0653 -22.0528 -22.0528 -21.8479 -21.8479 10.6865 10.6865 12.8434 12.8434 15.9947 15.9947 16.6360 16.6360 17.5361 17.5361 18.7328 18.7328 21.8663 21.8663 24.8290 24.8290 25.3423 25.3423 27.0987 27.0987 k = 0.2963 0.5000-0.0000 ( 1208 PWs) bands (ev): -65.6216 -65.6216 -34.0662 -34.0662 -22.0554 -22.0554 -21.8498 -21.8498 10.6820 10.6820 12.9447 12.9447 15.9718 15.9718 16.6449 16.6449 17.5622 17.5622 18.6749 18.6749 21.8536 21.8536 24.7367 24.7367 25.2663 25.2663 27.0009 27.0009 k = 0.3056 0.5000-0.0000 ( 1208 PWs) bands (ev): -65.6214 -65.6214 -34.0672 -34.0672 -22.0580 -22.0580 -21.8516 -21.8516 10.6774 10.6774 13.0475 13.0475 15.9497 15.9497 16.6507 16.6507 17.5879 17.5879 18.6189 18.6189 21.8412 21.8412 24.6513 24.6513 25.1915 25.1915 26.9054 26.9054 k = 0.3148 0.5000-0.0000 ( 1208 PWs) bands (ev): -65.6211 -65.6211 -34.0681 -34.0681 -22.0607 -22.0607 -21.8532 -21.8532 10.6727 10.6727 13.1518 13.1518 15.9284 15.9284 16.6530 16.6530 17.6130 17.6130 18.5650 18.5650 21.8292 21.8292 24.5726 24.5726 25.1184 25.1184 26.8126 26.8126 k = 0.3241 0.5000-0.0000 ( 1204 PWs) bands (ev): -65.6208 -65.6208 -34.0690 -34.0690 -22.0634 -22.0634 -21.8547 -21.8547 10.6680 10.6680 13.2573 13.2573 15.9078 15.9078 16.6515 16.6515 17.6374 17.6374 18.5133 18.5133 21.8180 21.8180 24.5006 24.5006 25.0473 25.0473 26.7225 26.7225 k = 0.3333 0.5000-0.0000 ( 1204 PWs) bands (ev): -65.6206 -65.6206 -34.0698 -34.0698 -22.0661 -22.0661 -21.8561 -21.8561 10.6632 10.6632 13.3638 13.3638 15.8880 15.8880 16.6459 16.6459 17.6607 17.6607 18.4639 18.4639 21.8076 21.8076 24.4351 24.4351 24.9786 24.9786 26.6355 26.6355 k = 0.3426 0.5000-0.0000 ( 1204 PWs) bands (ev): -65.6203 -65.6203 -34.0707 -34.0707 -22.0688 -22.0688 -21.8574 -21.8574 10.6584 10.6584 13.4713 13.4713 15.8690 15.8690 16.6359 16.6359 17.6829 17.6829 18.4169 18.4169 21.7983 21.7983 24.3760 24.3760 24.9124 24.9124 26.5516 26.5516 k = 0.3519 0.5000-0.0000 ( 1202 PWs) bands (ev): -65.6201 -65.6201 -34.0715 -34.0715 -22.0714 -22.0714 -21.8585 -21.8585 10.6536 10.6536 13.5795 13.5795 15.8505 15.8505 16.6215 16.6215 17.7038 17.7038 18.3726 18.3726 21.7902 21.7902 24.3230 24.3230 24.8491 24.8491 26.4713 26.4713 k = 0.3611 0.5000-0.0000 ( 1202 PWs) bands (ev): -65.6198 -65.6198 -34.0722 -34.0722 -22.0740 -22.0740 -21.8595 -21.8595 10.6488 10.6488 13.6881 13.6881 15.8327 15.8327 16.6026 16.6026 17.7232 17.7232 18.3313 18.3313 21.7833 21.7833 24.2758 24.2758 24.7887 24.7887 26.3945 26.3945 k = 0.3704 0.5000-0.0000 ( 1202 PWs) bands (ev): -65.6196 -65.6196 -34.0730 -34.0730 -22.0765 -22.0765 -21.8604 -21.8604 10.6442 10.6442 13.7971 13.7971 15.8151 15.8151 16.5792 16.5792 17.7408 17.7408 18.2931 18.2931 21.7778 21.7778 24.2341 24.2341 24.7316 24.7316 26.3217 26.3217 k = 0.3796 0.5000-0.0000 ( 1202 PWs) bands (ev): -65.6194 -65.6194 -34.0737 -34.0737 -22.0790 -22.0790 -21.8612 -21.8612 10.6397 10.6397 13.9062 13.9062 15.7977 15.7977 16.5515 16.5515 17.7564 17.7564 18.2582 18.2582 21.7735 21.7735 24.1976 24.1976 24.6778 24.6778 26.2529 26.2529 k = 0.3889 0.5000-0.0000 ( 1206 PWs) bands (ev): -65.6192 -65.6192 -34.0743 -34.0743 -22.0813 -22.0813 -21.8620 -21.8620 10.6353 10.6353 14.0151 14.0151 15.7802 15.7802 16.5197 16.5197 17.7697 17.7697 18.2270 18.2270 21.7706 21.7706 24.1660 24.1660 24.6275 24.6275 26.1883 26.1883 k = 0.3981 0.5000-0.0000 ( 1202 PWs) bands (ev): -65.6190 -65.6190 -34.0749 -34.0749 -22.0835 -22.0835 -21.8626 -21.8626 10.6312 10.6312 14.1235 14.1235 15.7622 15.7622 16.4844 16.4844 17.7807 17.7807 18.1997 18.1997 21.7689 21.7689 24.1388 24.1388 24.5810 24.5810 26.1281 26.1281 k = 0.4074 0.5000-0.0000 ( 1204 PWs) bands (ev): -65.6189 -65.6189 -34.0755 -34.0755 -22.0856 -22.0856 -21.8632 -21.8632 10.6273 10.6273 14.2310 14.2310 15.7432 15.7432 16.4462 16.4462 17.7892 17.7892 18.1764 18.1764 21.7682 21.7682 24.1157 24.1157 24.5381 24.5381 26.0725 26.0725 k = 0.4167 0.5000-0.0000 ( 1204 PWs) bands (ev): -65.6187 -65.6187 -34.0760 -34.0760 -22.0875 -22.0875 -21.8636 -21.8636 10.6237 10.6237 14.3373 14.3373 15.7229 15.7229 16.4059 16.4059 17.7950 17.7950 18.1571 18.1571 21.7684 21.7684 24.0963 24.0963 24.4990 24.4990 26.0217 26.0217 k = 0.4259 0.5000-0.0000 ( 1210 PWs) bands (ev): -65.6186 -65.6186 -34.0765 -34.0765 -22.0893 -22.0893 -21.8641 -21.8641 10.6203 10.6203 14.4419 14.4419 15.7004 15.7004 16.3644 16.3644 17.7984 17.7984 18.1418 18.1418 21.7692 21.7692 24.0802 24.0802 24.4639 24.4639 25.9758 25.9758 k = 0.4352 0.5000-0.0000 ( 1208 PWs) bands (ev): -65.6185 -65.6185 -34.0769 -34.0769 -22.0908 -22.0908 -21.8644 -21.8644 10.6173 10.6173 14.5442 14.5442 15.6752 15.6752 16.3232 16.3232 17.7997 17.7997 18.1301 18.1301 21.7707 21.7707 24.0671 24.0671 24.4327 24.4327 25.9349 25.9349 k = 0.4444 0.5000-0.0000 ( 1208 PWs) bands (ev): -65.6183 -65.6183 -34.0773 -34.0773 -22.0922 -22.0922 -21.8647 -21.8647 10.6146 10.6146 14.6434 14.6434 15.6466 15.6466 16.2835 16.2835 17.7992 17.7992 18.1216 18.1216 21.7725 21.7725 24.0566 24.0566 24.4057 24.4057 25.8992 25.8992 k = 0.4537 0.5000-0.0000 ( 1208 PWs) bands (ev): -65.6183 -65.6183 -34.0776 -34.0776 -22.0934 -22.0934 -21.8650 -21.8650 10.6123 10.6123 14.7383 14.7383 15.6143 15.6143 16.2470 16.2470 17.7976 17.7976 18.1157 18.1157 21.7744 21.7744 24.0483 24.0483 24.3827 24.3827 25.8687 25.8687 k = 0.4630 0.5000-0.0000 ( 1208 PWs) bands (ev): -65.6182 -65.6182 -34.0778 -34.0778 -22.0944 -22.0944 -21.8652 -21.8652 10.6104 10.6104 14.8274 14.8274 15.5784 15.5784 16.2152 16.2152 17.7954 17.7954 18.1118 18.1118 21.7762 21.7762 24.0419 24.0419 24.3638 24.3638 25.8437 25.8437 k = 0.4722 0.5000-0.0000 ( 1208 PWs) bands (ev): -65.6181 -65.6181 -34.0780 -34.0780 -22.0951 -22.0951 -21.8653 -21.8653 10.6089 10.6089 14.9080 14.9080 15.5402 15.5402 16.1893 16.1893 17.7931 17.7931 18.1093 18.1093 21.7779 21.7779 24.0372 24.0372 24.3491 24.3491 25.8241 25.8241 k = 0.4815 0.5000-0.0000 ( 1208 PWs) bands (ev): -65.6181 -65.6181 -34.0782 -34.0782 -22.0957 -22.0957 -21.8654 -21.8654 10.6078 10.6078 14.9756 14.9756 15.5034 15.5034 16.1702 16.1702 17.7912 17.7912 18.1079 18.1079 21.7791 21.7791 24.0341 24.0341 24.3386 24.3386 25.8101 25.8101 k = 0.4907 0.5000-0.0000 ( 1220 PWs) bands (ev): -65.6181 -65.6181 -34.0783 -34.0783 -22.0961 -22.0961 -21.8655 -21.8655 10.6072 10.6072 15.0229 15.0229 15.4748 15.4748 16.1585 16.1585 17.7898 17.7898 18.1071 18.1071 21.7799 21.7799 24.0321 24.0321 24.3322 24.3322 25.8017 25.8017 k = 0.5000 0.5000-0.0000 ( 1228 PWs) bands (ev): -65.6181 -65.6181 -34.0783 -34.0783 -22.0962 -22.0962 -21.8656 -21.8656 10.6069 10.6069 15.0403 15.0403 15.4635 15.4635 16.1546 16.1546 17.7893 17.7893 18.1069 18.1069 21.7799 21.7799 24.0315 24.0315 24.3300 24.3300 25.7989 25.7989 k = 0.5000 0.5000-0.0000 ( 1228 PWs) bands (ev): -65.6181 -65.6181 -34.0783 -34.0783 -22.0962 -22.0962 -21.8656 -21.8656 10.6069 10.6069 15.0403 15.0403 15.4635 15.4635 16.1546 16.1546 17.7893 17.7893 18.1069 18.1069 21.7799 21.7799 24.0315 24.0315 24.3300 24.3300 25.7989 25.7989 k = 0.4934 0.4934-0.0000 ( 1220 PWs) bands (ev): -65.6181 -65.6181 -34.0783 -34.0783 -22.0961 -22.0961 -21.8655 -21.8655 10.6072 10.6072 15.0228 15.0228 15.4748 15.4748 16.1585 16.1585 17.7898 17.7898 18.1071 18.1071 21.7799 21.7799 24.0321 24.0321 24.3323 24.3323 25.8017 25.8017 k = 0.4868 0.4868-0.0000 ( 1212 PWs) bands (ev): -65.6181 -65.6181 -34.0782 -34.0782 -22.0957 -22.0957 -21.8654 -21.8654 10.6078 10.6078 14.9753 14.9753 15.5034 15.5034 16.1704 16.1704 17.7912 17.7912 18.1078 18.1078 21.7792 21.7792 24.0336 24.0336 24.3391 24.3391 25.8102 25.8102 k = 0.4803 0.4803-0.0000 ( 1212 PWs) bands (ev): -65.6181 -65.6181 -34.0780 -34.0780 -22.0951 -22.0951 -21.8653 -21.8653 10.6088 10.6088 14.9080 14.9080 15.5393 15.5393 16.1901 16.1901 17.7935 17.7935 18.1089 18.1089 21.7778 21.7778 24.0349 24.0349 24.3514 24.3514 25.8244 25.8244 k = 0.4737 0.4737-0.0000 ( 1208 PWs) bands (ev): -65.6182 -65.6182 -34.0778 -34.0778 -22.0943 -22.0943 -21.8652 -21.8652 10.6100 10.6100 14.8287 14.8287 15.5753 15.5753 16.2174 16.2174 17.7966 17.7966 18.1106 18.1106 21.7760 21.7760 24.0348 24.0348 24.3708 24.3708 25.8441 25.8441 k = 0.4671 0.4671-0.0000 ( 1208 PWs) bands (ev): -65.6183 -65.6183 -34.0776 -34.0776 -22.0933 -22.0933 -21.8650 -21.8650 10.6113 10.6113 14.7422 14.7422 15.6074 15.6074 16.2515 16.2515 17.8006 17.8006 18.1128 18.1128 21.7736 21.7736 24.0319 24.0319 24.3982 24.3982 25.8693 25.8693 k = 0.4605 0.4605-0.0000 ( 1208 PWs) bands (ev): -65.6184 -65.6184 -34.0772 -34.0772 -22.0921 -22.0921 -21.8648 -21.8648 10.6124 10.6124 14.6514 14.6514 15.6340 15.6340 16.2914 16.2914 17.8053 17.8053 18.1157 18.1157 21.7708 21.7708 24.0254 24.0254 24.4350 24.4350 25.8999 25.8999 k = 0.4539 0.4539-0.0000 ( 1204 PWs) bands (ev): -65.6185 -65.6185 -34.0769 -34.0769 -22.0906 -22.0906 -21.8645 -21.8645 10.6131 10.6131 14.5583 14.5583 15.6550 15.6550 16.3357 16.3357 17.8107 17.8107 18.1194 18.1194 21.7675 21.7675 24.0146 24.0146 24.4815 24.4815 25.9357 25.9357 k = 0.4474 0.4474-0.0000 ( 1206 PWs) bands (ev): -65.6186 -65.6186 -34.0764 -34.0764 -22.0890 -22.0890 -21.8642 -21.8642 10.6130 10.6130 14.4645 14.4645 15.6707 15.6707 16.3827 16.3827 17.8167 17.8167 18.1239 18.1239 21.7638 21.7638 23.9996 23.9996 24.5376 24.5376 25.9766 25.9766 k = 0.4408 0.4408-0.0000 ( 1208 PWs) bands (ev): -65.6187 -65.6187 -34.0760 -34.0760 -22.0871 -22.0871 -21.8638 -21.8638 10.6118 10.6118 14.3712 14.3712 15.6818 15.6818 16.4312 16.4312 17.8233 17.8233 18.1294 18.1294 21.7598 21.7598 23.9806 23.9806 24.6033 24.6033 26.0223 26.0223 k = 0.4342 0.4342-0.0000 ( 1206 PWs) bands (ev): -65.6189 -65.6189 -34.0754 -34.0754 -22.0850 -22.0850 -21.8634 -21.8634 10.6091 10.6091 14.2796 14.2796 15.6892 15.6892 16.4799 16.4799 17.8302 17.8302 18.1360 18.1360 21.7555 21.7555 23.9580 23.9580 24.6780 24.6780 26.0728 26.0728 k = 0.4276 0.4276-0.0000 ( 1206 PWs) bands (ev): -65.6191 -65.6191 -34.0748 -34.0748 -22.0827 -22.0827 -21.8630 -21.8630 10.6043 10.6043 14.1906 14.1906 15.6933 15.6933 16.5276 16.5276 17.8375 17.8375 18.1439 18.1439 21.7511 21.7511 23.9324 23.9324 24.7612 24.7612 26.1276 26.1276 k = 0.4211 0.4211-0.0000 ( 1200 PWs) bands (ev): -65.6192 -65.6192 -34.0742 -34.0742 -22.0801 -22.0801 -21.8625 -21.8625 10.5970 10.5970 14.1051 14.1051 15.6949 15.6949 16.5737 16.5737 17.8450 17.8450 18.1532 18.1532 21.7466 21.7466 23.9041 23.9041 24.8523 24.8523 26.1867 26.1867 k = 0.4145 0.4145-0.0000 ( 1200 PWs) bands (ev): -65.6194 -65.6194 -34.0735 -34.0735 -22.0774 -22.0774 -21.8620 -21.8620 10.5865 10.5865 14.0242 14.0242 15.6942 15.6942 16.6176 16.6176 17.8525 17.8525 18.1639 18.1639 21.7420 21.7420 23.8736 23.8736 24.9509 24.9509 26.2495 26.2495 k = 0.4079 0.4079-0.0000 ( 1198 PWs) bands (ev): -65.6197 -65.6197 -34.0727 -34.0727 -22.0745 -22.0745 -21.8614 -21.8614 10.5724 10.5724 13.9488 13.9488 15.6917 15.6917 16.6587 16.6587 17.8601 17.8601 18.1762 18.1762 21.7375 21.7375 23.8411 23.8411 25.0565 25.0565 26.3158 26.3158 k = 0.4013 0.4013-0.0000 ( 1200 PWs) bands (ev): -65.6199 -65.6199 -34.0719 -34.0719 -22.0713 -22.0713 -21.8609 -21.8609 10.5540 10.5540 13.8796 13.8796 15.6875 15.6875 16.6969 16.6969 17.8677 17.8677 18.1901 18.1901 21.7330 21.7330 23.8071 23.8071 25.1684 25.1684 26.3853 26.3853 k = 0.3947 0.3947-0.0000 ( 1200 PWs) bands (ev): -65.6202 -65.6202 -34.0711 -34.0711 -22.0680 -22.0680 -21.8602 -21.8602 10.5308 10.5308 13.8175 13.8175 15.6820 15.6820 16.7320 16.7320 17.8752 17.8752 18.2057 18.2057 21.7288 21.7288 23.7719 23.7719 25.2862 25.2862 26.4573 26.4573 k = 0.3882 0.3882-0.0000 ( 1200 PWs) bands (ev): -65.6204 -65.6204 -34.0702 -34.0702 -22.0645 -22.0645 -21.8596 -21.8596 10.5022 10.5022 13.7633 13.7633 15.6753 15.6753 16.7639 16.7639 17.8825 17.8825 18.2229 18.2229 21.7250 21.7250 23.7358 23.7358 25.4093 25.4093 26.5316 26.5316 k = 0.3816 0.3816-0.0000 ( 1202 PWs) bands (ev): -65.6207 -65.6207 -34.0693 -34.0693 -22.0608 -22.0608 -21.8589 -21.8589 10.4678 10.4678 13.7175 13.7175 15.6674 15.6674 16.7925 16.7925 17.8897 17.8897 18.2418 18.2418 21.7215 21.7215 23.6990 23.6990 25.5371 25.5371 26.6074 26.6074 k = 0.3750 0.3750-0.0000 ( 1210 PWs) bands (ev): -65.6210 -65.6210 -34.0683 -34.0683 -22.0570 -22.0570 -21.8582 -21.8582 10.4272 10.4272 13.6807 13.6807 15.6585 15.6585 16.8179 16.8179 17.8968 17.8968 18.2623 18.2623 21.7185 21.7185 23.6618 23.6618 25.6687 25.6687 26.6842 26.6842 k = 0.3684 0.3684-0.0000 ( 1206 PWs) bands (ev): -65.6213 -65.6213 -34.0673 -34.0673 -22.0530 -22.0530 -21.8574 -21.8574 10.3803 10.3803 13.6532 13.6532 15.6487 15.6487 16.8403 16.8403 17.9039 17.9039 18.2844 18.2844 21.7162 21.7162 23.6246 23.6246 25.8037 25.8037 26.7613 26.7613 k = 0.3618 0.3618-0.0000 ( 1206 PWs) bands (ev): -65.6216 -65.6216 -34.0662 -34.0662 -22.0488 -22.0488 -21.8566 -21.8566 10.3269 10.3269 13.6351 13.6351 15.6380 15.6380 16.8597 16.8597 17.9110 17.9110 18.3079 18.3079 21.7146 21.7146 23.5874 23.5874 25.9411 25.9411 26.8379 26.8379 k = 0.3553 0.3553-0.0000 ( 1206 PWs) bands (ev): -65.6219 -65.6219 -34.0651 -34.0651 -22.0444 -22.0444 -21.8558 -21.8558 10.2672 10.2672 13.6267 13.6267 15.6265 15.6265 16.8762 16.8762 17.9182 17.9182 18.3329 18.3329 21.7138 21.7138 23.5505 23.5505 26.0803 26.0803 26.9132 26.9132 k = 0.3487 0.3487-0.0000 ( 1202 PWs) bands (ev): -65.6223 -65.6223 -34.0640 -34.0640 -22.0399 -22.0399 -21.8549 -21.8549 10.2012 10.2012 13.6276 13.6276 15.6144 15.6144 16.8901 16.8901 17.9256 17.9256 18.3592 18.3592 21.7140 21.7140 23.5140 23.5140 26.2202 26.2202 26.9861 26.9861 k = 0.3421 0.3421-0.0000 ( 1202 PWs) bands (ev): -65.6226 -65.6226 -34.0628 -34.0628 -22.0352 -22.0352 -21.8541 -21.8541 10.1294 10.1294 13.6376 13.6376 15.6015 15.6015 16.9015 16.9015 17.9333 17.9333 18.3867 18.3867 21.7150 21.7150 23.4781 23.4781 26.3599 26.3599 27.0557 27.0557 k = 0.3355 0.3355-0.0000 ( 1202 PWs) bands (ev): -65.6230 -65.6230 -34.0616 -34.0616 -22.0304 -22.0304 -21.8531 -21.8531 10.0521 10.0521 13.6563 13.6563 15.5879 15.5879 16.9106 16.9106 17.9412 17.9412 18.4155 18.4155 21.7170 21.7170 23.4429 23.4429 26.4984 26.4984 27.1206 27.1206 k = 0.3289 0.3289-0.0000 ( 1205 PWs) bands (ev): -65.6233 -65.6233 -34.0604 -34.0604 -22.0254 -22.0254 -21.8522 -21.8522 9.9698 9.9698 13.6834 13.6834 15.5738 15.5738 16.9176 16.9176 17.9497 17.9497 18.4453 18.4453 21.7200 21.7200 23.4086 23.4086 26.6346 26.6346 27.1797 27.1797 k = 0.3224 0.3224-0.0000 ( 1201 PWs) bands (ev): -65.6237 -65.6237 -34.0591 -34.0591 -22.0204 -22.0204 -21.8512 -21.8512 9.8830 9.8830 13.7181 13.7181 15.5591 15.5591 16.9228 16.9228 17.9587 17.9587 18.4763 18.4763 21.7242 21.7242 23.3752 23.3752 26.7674 26.7674 27.2317 27.2317 k = 0.3158 0.3158-0.0000 ( 1201 PWs) bands (ev): -65.6241 -65.6241 -34.0578 -34.0578 -22.0152 -22.0152 -21.8502 -21.8502 9.7923 9.7923 13.7600 13.7600 15.5439 15.5439 16.9263 16.9263 17.9685 17.9685 18.5082 18.5082 21.7295 21.7295 23.3428 23.3428 26.8955 26.8955 27.2754 27.2754 k = 0.3092 0.3092-0.0000 ( 1197 PWs) bands (ev): -65.6245 -65.6245 -34.0565 -34.0565 -22.0099 -22.0099 -21.8492 -21.8492 9.6981 9.6981 13.8083 13.8083 15.5282 15.5282 16.9285 16.9285 17.9791 17.9791 18.5410 18.5410 21.7361 21.7361 23.3114 23.3114 27.0176 27.0176 27.3098 27.3098 k = 0.3026 0.3026-0.0000 ( 1197 PWs) bands (ev): -65.6249 -65.6249 -34.0551 -34.0551 -22.0045 -22.0045 -21.8481 -21.8481 9.6011 9.6011 13.8625 13.8625 15.5120 15.5120 16.9297 16.9297 17.9906 17.9906 18.5747 18.5747 21.7438 21.7438 23.2811 23.2811 27.1312 27.1312 27.3351 27.3351 k = 0.2961 0.2961-0.0000 ( 1205 PWs) bands (ev): -65.6253 -65.6253 -34.0538 -34.0538 -21.9990 -21.9990 -21.8471 -21.8471 9.5016 9.5016 13.9217 13.9217 15.4955 15.4955 16.9301 16.9301 18.0032 18.0032 18.6091 18.6091 21.7526 21.7526 23.2517 23.2517 27.2298 27.2298 27.3561 27.3561 k = 0.2895 0.2895-0.0000 ( 1205 PWs) bands (ev): -65.6257 -65.6257 -34.0524 -34.0524 -21.9934 -21.9934 -21.8460 -21.8460 9.4003 9.4003 13.9856 13.9856 15.4786 15.4786 16.9301 16.9301 18.0170 18.0170 18.6443 18.6443 21.7628 21.7628 23.2235 23.2235 27.2867 27.2867 27.3980 27.3980 k = 0.2829 0.2829-0.0000 ( 1207 PWs) bands (ev): -65.6261 -65.6261 -34.0510 -34.0510 -21.9878 -21.9878 -21.8449 -21.8449 9.2976 9.2976 14.0531 14.0531 15.4613 15.4613 16.9301 16.9301 18.0322 18.0322 18.6803 18.6803 21.7741 21.7741 23.1963 23.1963 27.2869 27.2869 27.4753 27.4753 k = 0.2763 0.2763-0.0000 ( 1207 PWs) bands (ev): -65.6265 -65.6265 -34.0496 -34.0496 -21.9820 -21.9820 -21.8438 -21.8438 9.1938 9.1938 14.1238 14.1238 15.4438 15.4438 16.9305 16.9305 18.0488 18.0488 18.7169 18.7169 21.7867 21.7867 23.1700 23.1700 27.2584 27.2584 27.5597 27.5597 k = 0.2697 0.2697-0.0000 ( 1207 PWs) bands (ev): -65.6269 -65.6269 -34.0481 -34.0481 -21.9762 -21.9762 -21.8427 -21.8427 9.0893 9.0893 14.1969 14.1969 15.4261 15.4261 16.9318 16.9318 18.0670 18.0670 18.7541 18.7541 21.8006 21.8006 23.1446 23.1446 27.2119 27.2119 27.6411 27.6411 k = 0.2632 0.2632-0.0000 ( 1207 PWs) bands (ev): -65.6274 -65.6274 -34.0467 -34.0467 -21.9704 -21.9704 -21.8415 -21.8415 8.9846 8.9846 14.2715 14.2715 15.4081 15.4081 16.9346 16.9346 18.0868 18.0868 18.7918 18.7918 21.8156 21.8156 23.1201 23.1201 27.1500 27.1500 27.7179 27.7179 k = 0.2566 0.2566-0.0000 ( 1197 PWs) bands (ev): -65.6277 -65.6277 -34.0452 -34.0452 -21.9645 -21.9645 -21.8403 -21.8403 8.8799 8.8799 14.3470 14.3470 15.3901 15.3901 16.9395 16.9395 18.1084 18.1084 18.8301 18.8301 21.8318 21.8318 23.0964 23.0964 27.0742 27.0742 27.7903 27.7903 k = 0.2500 0.2500-0.0000 ( 1193 PWs) bands (ev): -65.6281 -65.6281 -34.0438 -34.0438 -21.9586 -21.9586 -21.8391 -21.8391 8.7755 8.7755 14.4225 14.4225 15.3719 15.3719 16.9471 16.9471 18.1318 18.1318 18.8688 18.8688 21.8491 21.8491 23.0734 23.0734 26.9857 26.9857 27.8588 27.8588 k = 0.2434 0.2434-0.0000 ( 1205 PWs) bands (ev): -65.6286 -65.6286 -34.0424 -34.0424 -21.9527 -21.9527 -21.8380 -21.8380 8.6716 8.6716 14.4971 14.4971 15.3536 15.3536 16.9579 16.9579 18.1569 18.1569 18.9076 18.9076 21.8672 21.8672 23.0510 23.0510 26.8857 26.8857 27.9242 27.9242 k = 0.2368 0.2368-0.0000 ( 1205 PWs) bands (ev): -65.6290 -65.6290 -34.0409 -34.0409 -21.9467 -21.9467 -21.8369 -21.8369 8.5686 8.5686 14.5701 14.5701 15.3353 15.3353 16.9730 16.9730 18.1841 18.1841 18.9470 18.9470 21.8866 21.8866 23.0291 23.0291 26.7758 26.7758 27.9874 27.9874 k = 0.2303 0.2303-0.0000 ( 1205 PWs) bands (ev): -65.6294 -65.6294 -34.0395 -34.0395 -21.9408 -21.9408 -21.8357 -21.8357 8.4666 8.4666 14.6405 14.6405 15.3170 15.3170 16.9929 16.9929 18.2133 18.2133 18.9865 18.9865 21.9068 21.9068 23.0077 23.0077 26.6570 26.6570 28.0490 28.0490 k = 0.2237 0.2237-0.0000 ( 1205 PWs) bands (ev): -65.6299 -65.6299 -34.0380 -34.0380 -21.9349 -21.9349 -21.8345 -21.8345 8.3658 8.3658 14.7074 14.7074 15.2987 15.2987 17.0183 17.0183 18.2445 18.2445 19.0263 19.0263 21.9280 21.9280 22.9868 22.9868 26.5307 26.5307 28.1098 28.1098 k = 0.2171 0.2171-0.0000 ( 1207 PWs) bands (ev): -65.6303 -65.6303 -34.0366 -34.0366 -21.9290 -21.9290 -21.8334 -21.8334 8.2665 8.2665 14.7702 14.7702 15.2805 15.2805 17.0501 17.0501 18.2778 18.2778 19.0662 19.0662 21.9498 21.9498 22.9661 22.9661 26.3981 26.3981 28.1704 28.1704 k = 0.2105 0.2105-0.0000 ( 1207 PWs) bands (ev): -65.6307 -65.6307 -34.0352 -34.0352 -21.9231 -21.9231 -21.8322 -21.8322 8.1688 8.1688 14.8280 14.8280 15.2625 15.2625 17.0889 17.0889 18.3132 18.3132 19.1063 19.1063 21.9725 21.9725 22.9458 22.9458 26.2602 26.2602 28.2313 28.2313 k = 0.2039 0.2039-0.0000 ( 1207 PWs) bands (ev): -65.6311 -65.6311 -34.0338 -34.0338 -21.9173 -21.9173 -21.8310 -21.8310 8.0728 8.0728 14.8802 14.8802 15.2446 15.2446 17.1351 17.1351 18.3507 18.3507 19.1463 19.1463 21.9957 21.9957 22.9257 22.9257 26.1180 26.1180 28.2929 28.2929 k = 0.1974 0.1974-0.0000 ( 1207 PWs) bands (ev): -65.6315 -65.6315 -34.0324 -34.0324 -21.9115 -21.9115 -21.8299 -21.8299 7.9788 7.9788 14.9264 14.9264 15.2270 15.2270 17.1890 17.1890 18.3903 18.3903 19.1864 19.1864 22.0195 22.0195 22.9057 22.9057 25.9724 25.9724 28.3557 28.3557 k = 0.1908 0.1908-0.0000 ( 1207 PWs) bands (ev): -65.6319 -65.6319 -34.0310 -34.0310 -21.9057 -21.9057 -21.8287 -21.8287 7.8868 7.8868 14.9664 14.9664 15.2096 15.2096 17.2508 17.2508 18.4320 18.4320 19.2264 19.2264 22.0436 22.0436 22.8860 22.8860 25.8242 25.8242 28.4198 28.4198 k = 0.1842 0.1842-0.0000 ( 1211 PWs) bands (ev): -65.6323 -65.6323 -34.0296 -34.0296 -21.9001 -21.9001 -21.8276 -21.8276 7.7969 7.7969 15.0000 15.0000 15.1924 15.1924 17.3204 17.3204 18.4757 18.4757 19.2662 19.2662 22.0680 22.0680 22.8664 22.8664 25.6741 25.6741 28.4855 28.4855 k = 0.1776 0.1776-0.0000 ( 1219 PWs) bands (ev): -65.6327 -65.6327 -34.0283 -34.0283 -21.8946 -21.8946 -21.8265 -21.8265 7.7093 7.7093 15.0274 15.0274 15.1755 15.1755 17.3975 17.3975 18.5214 18.5214 19.3060 19.3060 22.0924 22.0924 22.8469 22.8469 25.5228 25.5228 28.5528 28.5528 k = 0.1711 0.1711-0.0000 ( 1215 PWs) bands (ev): -65.6331 -65.6331 -34.0270 -34.0270 -21.8891 -21.8891 -21.8254 -21.8254 7.6242 7.6242 15.0489 15.0489 15.1591 15.1591 17.4818 17.4818 18.5692 18.5692 19.3457 19.3457 22.1170 22.1170 22.8275 22.8275 25.3710 25.3710 28.6218 28.6218 k = 0.1645 0.1645-0.0000 ( 1215 PWs) bands (ev): -65.6335 -65.6335 -34.0257 -34.0257 -21.8837 -21.8837 -21.8243 -21.8243 7.5415 7.5415 15.0649 15.0649 15.1430 15.1430 17.5725 17.5725 18.6190 18.6190 19.3851 19.3851 22.1413 22.1413 22.8084 22.8084 25.2190 25.2190 28.6926 28.6926 k = 0.1579 0.1579-0.0000 ( 1221 PWs) bands (ev): -65.6338 -65.6338 -34.0245 -34.0245 -21.8785 -21.8785 -21.8233 -21.8233 7.4614 7.4614 15.0760 15.0760 15.1273 15.1273 17.6688 17.6688 18.6706 18.6706 19.4244 19.4244 22.1651 22.1651 22.7896 22.7896 25.0673 25.0673 28.7649 28.7649 k = 0.1513 0.1513-0.0000 ( 1225 PWs) bands (ev): -65.6342 -65.6342 -34.0233 -34.0233 -21.8734 -21.8734 -21.8223 -21.8223 7.3839 7.3839 15.0825 15.0825 15.1120 15.1120 17.7702 17.7702 18.7240 18.7240 19.4634 19.4634 22.1883 22.1883 22.7710 22.7710 24.9165 24.9165 28.8388 28.8388 k = 0.1447 0.1447-0.0000 ( 1225 PWs) bands (ev): -65.6345 -65.6345 -34.0221 -34.0221 -21.8684 -21.8684 -21.8213 -21.8213 7.3093 7.3093 15.0851 15.0851 15.0973 15.0973 17.8757 17.8757 18.7791 18.7791 19.5024 19.5024 22.2105 22.2105 22.7531 22.7531 24.7671 24.7671 28.9141 28.9141 k = 0.1382 0.1382-0.0000 ( 1227 PWs) bands (ev): -65.6349 -65.6349 -34.0210 -34.0210 -21.8636 -21.8636 -21.8203 -21.8203 7.2374 7.2374 15.0823 15.0823 15.0852 15.0852 17.9843 17.9843 18.8357 18.8357 19.5412 19.5412 22.2315 22.2315 22.7358 22.7358 24.6193 24.6193 28.9904 28.9904 k = 0.1316 0.1316-0.0000 ( 1227 PWs) bands (ev): -65.6352 -65.6352 -34.0198 -34.0198 -21.8589 -21.8589 -21.8194 -21.8194 7.1685 7.1685 15.0690 15.0690 15.0813 15.0813 18.0955 18.0955 18.8936 18.8936 19.5799 19.5799 22.2507 22.2507 22.7196 22.7196 24.4736 24.4736 29.0677 29.0677 k = 0.1250 0.1250-0.0000 ( 1231 PWs) bands (ev): -65.6355 -65.6355 -34.0188 -34.0188 -21.8544 -21.8544 -21.8185 -21.8185 7.1025 7.1025 15.0557 15.0557 15.0756 15.0756 18.2081 18.2081 18.9525 18.9525 19.6186 19.6186 22.2676 22.2676 22.7046 22.7046 24.3305 24.3305 29.1454 29.1454 k = 0.1184 0.1184-0.0000 ( 1223 PWs) bands (ev): -65.6358 -65.6358 -34.0177 -34.0177 -21.8500 -21.8500 -21.8176 -21.8176 7.0395 7.0395 15.0431 15.0431 15.0681 15.0681 18.3214 18.3214 19.0123 19.0123 19.6577 19.6577 22.2816 22.2816 22.6916 22.6916 24.1904 24.1904 29.2233 29.2233 k = 0.1118 0.1118-0.0000 ( 1223 PWs) bands (ev): -65.6361 -65.6361 -34.0168 -34.0168 -21.8458 -21.8458 -21.8167 -21.8167 6.9797 6.9797 15.0310 15.0310 15.0592 15.0592 18.4345 18.4345 19.0724 19.0724 19.6972 19.6972 22.2921 22.2921 22.6807 22.6807 24.0536 24.0536 29.3009 29.3009 k = 0.1053 0.1053-0.0000 ( 1223 PWs) bands (ev): -65.6363 -65.6363 -34.0158 -34.0158 -21.8418 -21.8418 -21.8159 -21.8159 6.9230 6.9230 15.0195 15.0195 15.0492 15.0492 18.5466 18.5466 19.1323 19.1323 19.7372 19.7372 22.2983 22.2983 22.6727 22.6727 23.9207 23.9207 29.3777 29.3777 k = 0.0987 0.0987-0.0000 ( 1219 PWs) bands (ev): -65.6366 -65.6366 -34.0149 -34.0149 -21.8380 -21.8380 -21.8151 -21.8151 6.8695 6.8695 15.0086 15.0086 15.0385 15.0385 18.6571 18.6571 19.1917 19.1917 19.7781 19.7781 22.2996 22.2996 22.6680 22.6680 23.7923 23.7923 29.4529 29.4529 k = 0.0921 0.0921-0.0000 ( 1219 PWs) bands (ev): -65.6368 -65.6368 -34.0141 -34.0141 -21.8345 -21.8345 -21.8144 -21.8144 6.8192 6.8192 14.9984 14.9984 15.0274 15.0274 18.7650 18.7650 19.2496 19.2496 19.8201 19.8201 22.2955 22.2955 22.6667 22.6667 23.6687 23.6687 29.5259 29.5259 k = 0.0855 0.0855-0.0000 ( 1223 PWs) bands (ev): -65.6370 -65.6370 -34.0133 -34.0133 -21.8311 -21.8311 -21.8137 -21.8137 6.7722 6.7722 14.9887 14.9887 15.0161 15.0161 18.8696 18.8696 19.3055 19.3055 19.8634 19.8634 22.2861 22.2861 22.6687 22.6687 23.5506 23.5506 29.5954 29.5954 k = 0.0789 0.0789-0.0000 ( 1217 PWs) bands (ev): -65.6372 -65.6372 -34.0126 -34.0126 -21.8280 -21.8280 -21.8131 -21.8131 6.7285 6.7285 14.9798 14.9798 15.0049 15.0049 18.9706 18.9706 19.3586 19.3586 19.9082 19.9082 22.2715 22.2715 22.6737 22.6737 23.4386 23.4386 29.6598 29.6598 k = 0.0724 0.0724-0.0000 ( 1217 PWs) bands (ev): -65.6374 -65.6374 -34.0119 -34.0119 -21.8250 -21.8250 -21.8125 -21.8125 6.6882 6.6882 14.9715 14.9715 14.9940 14.9940 19.0671 19.0671 19.4081 19.4081 19.9545 19.9545 22.2522 22.2522 22.6810 22.6810 23.3335 23.3335 29.7166 29.7166 k = 0.0658 0.0658-0.0000 ( 1217 PWs) bands (ev): -65.6376 -65.6376 -34.0113 -34.0113 -21.8224 -21.8224 -21.8119 -21.8119 6.6513 6.6513 14.9639 14.9639 14.9835 14.9835 19.1585 19.1585 19.4536 19.4536 20.0019 20.0019 22.2287 22.2287 22.6900 22.6900 23.2358 23.2358 29.7606 29.7606 k = 0.0592 0.0592-0.0000 ( 1217 PWs) bands (ev): -65.6378 -65.6378 -34.0107 -34.0107 -21.8199 -21.8199 -21.8114 -21.8114 6.6178 6.6178 14.9570 14.9570 14.9736 14.9736 19.2444 19.2444 19.4944 19.4944 20.0500 20.0500 22.2019 22.2019 22.7000 22.7000 23.1463 23.1463 29.7826 29.7826 k = 0.0526 0.0526-0.0000 ( 1217 PWs) bands (ev): -65.6379 -65.6379 -34.0102 -34.0102 -21.8177 -21.8177 -21.8110 -21.8110 6.5878 6.5878 14.9508 14.9508 14.9644 14.9644 19.3241 19.3241 19.5305 19.5305 20.0979 20.0979 22.1725 22.1725 22.7104 22.7104 23.0654 23.0654 29.7715 29.7715 k = 0.0461 0.0461-0.0000 ( 1213 PWs) bands (ev): -65.6380 -65.6380 -34.0097 -34.0097 -21.8157 -21.8157 -21.8106 -21.8106 6.5612 6.5612 14.9453 14.9453 14.9561 14.9561 19.3971 19.3971 19.5618 19.5618 20.1445 20.1445 22.1416 22.1416 22.7207 22.7207 22.9938 22.9938 29.7284 29.7284 k = 0.0395 0.0395-0.0000 ( 1213 PWs) bands (ev): -65.6381 -65.6381 -34.0093 -34.0093 -21.8140 -21.8140 -21.8102 -21.8102 6.5382 6.5382 14.9405 14.9405 14.9487 14.9487 19.4626 19.4626 19.5884 19.5884 20.1886 20.1886 22.1104 22.1104 22.7305 22.7305 22.9317 22.9317 29.6696 29.6696 k = 0.0329 0.0329-0.0000 ( 1217 PWs) bands (ev): -65.6382 -65.6382 -34.0090 -34.0090 -21.8126 -21.8126 -21.8100 -21.8100 6.5186 6.5186 14.9365 14.9365 14.9422 14.9422 19.5199 19.5199 19.6103 19.6103 20.2287 20.2287 22.0802 22.0802 22.7393 22.7393 22.8793 22.8793 29.6093 29.6093 k = 0.0263 0.0263-0.0000 ( 1217 PWs) bands (ev): -65.6383 -65.6383 -34.0087 -34.0087 -21.8114 -21.8114 -21.8097 -21.8097 6.5026 6.5026 14.9331 14.9331 14.9369 14.9369 19.5684 19.5684 19.6280 19.6280 20.2637 20.2637 22.0526 22.0526 22.7469 22.7469 22.8366 22.8366 29.5551 29.5551 k = 0.0197 0.0197-0.0000 ( 1213 PWs) bands (ev): -65.6384 -65.6384 -34.0085 -34.0085 -21.8105 -21.8105 -21.8095 -21.8095 6.4902 6.4902 14.9306 14.9306 14.9327 14.9327 19.6072 19.6072 19.6415 19.6415 20.2923 20.2923 22.0290 22.0290 22.7531 22.7531 22.8036 22.8036 29.5107 29.5107 k = 0.0132 0.0132-0.0000 ( 1213 PWs) bands (ev): -65.6384 -65.6384 -34.0084 -34.0084 -21.8098 -21.8098 -21.8094 -21.8094 6.4813 6.4813 14.9287 14.9287 14.9297 14.9297 19.6355 19.6355 19.6510 19.6510 20.3135 20.3135 22.0110 22.0110 22.7577 22.7577 22.7801 22.7801 29.4779 29.4779 k = 0.0066 0.0066-0.0000 ( 1213 PWs) bands (ev): -65.6384 -65.6384 -34.0083 -34.0083 -21.8094 -21.8094 -21.8093 -21.8093 6.4759 6.4759 14.9276 14.9276 14.9279 14.9279 19.6528 19.6528 19.6567 19.6567 20.3265 20.3265 21.9997 21.9997 22.7604 22.7604 22.7661 22.7661 29.4579 29.4579 k = 0.0000 0.0000 0.0000 ( 1213 PWs) bands (ev): -65.6385 -65.6385 -34.0082 -34.0082 -21.8093 -21.8093 -21.8093 -21.8093 6.4741 6.4741 14.9273 14.9273 14.9273 14.9273 19.6586 19.6586 19.6586 19.6586 20.3309 20.3309 21.9958 21.9958 22.7614 22.7614 22.7614 22.7614 29.4512 29.4512 k = 0.0000 0.0000 0.0000 ( 1213 PWs) bands (ev): -65.6385 -65.6385 -34.0082 -34.0082 -21.8093 -21.8093 -21.8093 -21.8093 6.4741 6.4741 14.9273 14.9273 14.9273 14.9273 19.6586 19.6586 19.6586 19.6586 20.3309 20.3309 21.9958 21.9958 22.7614 22.7614 22.7614 22.7614 29.4512 29.4512 k = 0.0054 0.0054 0.0054 ( 1213 PWs) bands (ev): -65.6384 -65.6384 -34.0083 -34.0083 -21.8094 -21.8094 -21.8093 -21.8093 6.4760 6.4760 14.9277 14.9277 14.9278 14.9278 19.6528 19.6528 19.6565 19.6565 20.3264 20.3264 21.9998 21.9998 22.7626 22.7626 22.7639 22.7639 29.4581 29.4581 k = 0.0109 0.0109 0.0109 ( 1213 PWs) bands (ev): -65.6384 -65.6384 -34.0084 -34.0084 -21.8096 -21.8096 -21.8096 -21.8096 6.4814 6.4814 14.9292 14.9292 14.9293 14.9293 19.6355 19.6355 19.6503 19.6503 20.3130 20.3130 22.0116 22.0116 22.7664 22.7664 22.7715 22.7715 29.4787 29.4787 k = 0.0163 0.0163 0.0163 ( 1213 PWs) bands (ev): -65.6384 -65.6384 -34.0085 -34.0085 -21.8101 -21.8101 -21.8100 -21.8100 6.4905 6.4905 14.9316 14.9316 14.9320 14.9320 19.6071 19.6071 19.6400 19.6400 20.2910 20.2910 22.0308 22.0308 22.7726 22.7726 22.7839 22.7839 29.5130 29.5130 k = 0.0217 0.0217 0.0217 ( 1216 PWs) bands (ev): -65.6383 -65.6383 -34.0087 -34.0087 -21.8107 -21.8107 -21.8105 -21.8105 6.5033 6.5033 14.9349 14.9349 14.9356 14.9356 19.5680 19.5680 19.6257 19.6257 20.2609 20.2609 22.0570 22.0570 22.7813 22.7813 22.8009 22.8009 29.5606 29.5607 k = 0.0272 0.0272 0.0272 ( 1213 PWs) bands (ev): -65.6382 -65.6382 -34.0090 -34.0090 -21.8114 -21.8114 -21.8112 -21.8112 6.5197 6.5197 14.9392 14.9392 14.9403 14.9403 19.5191 19.5191 19.6074 19.6074 20.2234 20.2234 22.0894 22.0894 22.7924 22.7924 22.8219 22.8219 29.6215 29.6215 k = 0.0326 0.0326 0.0326 ( 1213 PWs) bands (ev): -65.6381 -65.6381 -34.0094 -34.0094 -21.8124 -21.8124 -21.8120 -21.8120 6.5397 6.5397 14.9445 14.9445 14.9460 14.9460 19.4609 19.4609 19.5851 19.5851 20.1790 20.1790 22.1273 22.1273 22.8057 22.8057 22.8466 22.8466 29.6951 29.6951 k = 0.0380 0.0380 0.0380 ( 1219 PWs) bands (ev): -65.6380 -65.6380 -34.0098 -34.0098 -21.8135 -21.8135 -21.8130 -21.8130 6.5633 6.5633 14.9507 14.9507 14.9526 14.9526 19.3944 19.3944 19.5590 19.5590 20.1284 20.1284 22.1700 22.1700 22.8213 22.8213 22.8745 22.8745 29.7810 29.7810 k = 0.0435 0.0435 0.0435 ( 1219 PWs) bands (ev): -65.6379 -65.6379 -34.0102 -34.0102 -21.8148 -21.8148 -21.8142 -21.8142 6.5905 6.5905 14.9578 14.9578 14.9603 14.9603 19.3205 19.3205 19.5293 19.5293 20.0725 20.0725 22.2169 22.2169 22.8390 22.8390 22.9051 22.9051 29.8787 29.8787 k = 0.0489 0.0489 0.0489 ( 1219 PWs) bands (ev): -65.6377 -65.6377 -34.0108 -34.0108 -21.8163 -21.8163 -21.8154 -21.8154 6.6212 6.6212 14.9659 14.9659 14.9690 14.9690 19.2400 19.2400 19.4960 19.4960 20.0116 20.0116 22.2673 22.2673 22.8586 22.8586 22.9379 22.9379 29.9871 29.9871 k = 0.0543 0.0543 0.0543 ( 1219 PWs) bands (ev): -65.6376 -65.6376 -34.0114 -34.0114 -21.8179 -21.8179 -21.8169 -21.8169 6.6555 6.6555 14.9748 14.9748 14.9785 14.9785 19.1537 19.1537 19.4592 19.4592 19.9464 19.9464 22.3206 22.3206 22.8802 22.8802 22.9725 22.9725 30.1027 30.1027 k = 0.0598 0.0598 0.0598 ( 1213 PWs) bands (ev): -65.6374 -65.6374 -34.0120 -34.0120 -21.8196 -21.8196 -21.8184 -21.8184 6.6932 6.6932 14.9847 14.9847 14.9890 14.9890 19.0626 19.0626 19.4192 19.4192 19.8775 19.8775 22.3763 22.3763 22.9036 22.9036 23.0086 23.0086 30.1898 30.1898 k = 0.0652 0.0652 0.0652 ( 1219 PWs) bands (ev): -65.6372 -65.6372 -34.0127 -34.0127 -21.8216 -21.8216 -21.8201 -21.8201 6.7344 6.7344 14.9954 14.9954 15.0003 15.0003 18.9673 18.9673 19.3760 19.3760 19.8050 19.8050 22.4340 22.4340 22.9287 22.9287 23.0457 23.0457 30.1851 30.2041 k = 0.0707 0.0707 0.0707 ( 1219 PWs) bands (ev): -65.6370 -65.6370 -34.0135 -34.0135 -21.8237 -21.8237 -21.8219 -21.8219 6.7791 6.7791 15.0071 15.0071 15.0124 15.0124 18.8686 18.8686 19.3298 19.3298 19.7296 19.7296 22.4934 22.4934 22.9552 22.9552 23.0836 23.0836 30.1836 30.2085 k = 0.0761 0.0761 0.0761 ( 1219 PWs) bands (ev): -65.6367 -65.6367 -34.0143 -34.0143 -21.8259 -21.8259 -21.8239 -21.8239 6.8271 6.8271 15.0195 15.0195 15.0253 15.0253 18.7672 18.7672 19.2808 19.2808 19.6516 19.6516 22.5542 22.5542 22.9833 22.9833 23.1222 23.1222 30.1842 30.1842 k = 0.0815 0.0815 0.0815 ( 1219 PWs) bands (ev): -65.6365 -65.6365 -34.0152 -34.0152 -21.8283 -21.8283 -21.8260 -21.8260 6.8785 6.8785 15.0327 15.0327 15.0388 15.0388 18.6638 18.6638 19.2292 19.2292 19.5712 19.5712 22.6160 22.6160 23.0126 23.0126 23.1611 23.1611 30.1874 30.1874 k = 0.0870 0.0870 0.0870 ( 1219 PWs) bands (ev): -65.6362 -65.6362 -34.0161 -34.0161 -21.8308 -21.8308 -21.8283 -21.8283 6.9332 6.9332 15.0468 15.0468 15.0531 15.0531 18.5587 18.5587 19.1752 19.1752 19.4888 19.4888 22.6786 22.6786 23.0431 23.0431 23.2002 23.2002 30.1935 30.1935 k = 0.0924 0.0924 0.0924 ( 1219 PWs) bands (ev): -65.6359 -65.6359 -34.0171 -34.0171 -21.8334 -21.8334 -21.8307 -21.8307 6.9912 6.9912 15.0615 15.0615 15.0679 15.0679 18.4526 18.4526 19.1190 19.1190 19.4047 19.4047 22.7418 22.7418 23.0747 23.0747 23.2393 23.2393 30.2028 30.2028 k = 0.0978 0.0978 0.0978 ( 1213 PWs) bands (ev): -65.6356 -65.6356 -34.0181 -34.0181 -21.8362 -21.8362 -21.8331 -21.8331 7.0523 7.0523 15.0770 15.0770 15.0832 15.0832 18.3461 18.3461 19.0609 19.0609 19.3191 19.3191 22.8055 22.8055 23.1072 23.1072 23.2784 23.2784 30.2156 30.2156 k = 0.1033 0.1033 0.1033 ( 1219 PWs) bands (ev): -65.6353 -65.6353 -34.0192 -34.0192 -21.8391 -21.8391 -21.8358 -21.8358 7.1166 7.1166 15.0931 15.0931 15.0989 15.0989 18.2394 18.2394 19.0009 19.0009 19.2322 19.2322 22.8694 22.8694 23.1406 23.1406 23.3172 23.3172 30.2321 30.2321 k = 0.1087 0.1087 0.1087 ( 1219 PWs) bands (ev): -65.6350 -65.6350 -34.0203 -34.0203 -21.8421 -21.8421 -21.8385 -21.8385 7.1839 7.1839 15.1097 15.1097 15.1149 15.1149 18.1332 18.1332 18.9395 18.9395 19.1444 19.1444 22.9335 22.9335 23.1748 23.1748 23.3557 23.3557 30.2525 30.2525 k = 0.1141 0.1141 0.1141 ( 1222 PWs) bands (ev): -65.6347 -65.6347 -34.0215 -34.0215 -21.8453 -21.8453 -21.8414 -21.8414 7.2542 7.2542 15.1268 15.1268 15.1310 15.1310 18.0276 18.0276 18.8769 18.8769 19.0558 19.0558 22.9975 22.9975 23.2097 23.2097 23.3938 23.3938 30.2769 30.2769 k = 0.1196 0.1196 0.1196 ( 1219 PWs) bands (ev): -65.6343 -65.6343 -34.0227 -34.0227 -21.8485 -21.8485 -21.8443 -21.8443 7.3275 7.3275 15.1444 15.1444 15.1472 15.1472 17.9233 17.9233 18.8133 18.8133 18.9668 18.9668 23.0613 23.0613 23.2451 23.2451 23.4314 23.4314 30.3057 30.3057 k = 0.1250 0.1250 0.1250 ( 1225 PWs) bands (ev): -65.6340 -65.6340 -34.0240 -34.0240 -21.8519 -21.8519 -21.8474 -21.8474 7.4036 7.4036 15.1623 15.1623 15.1632 15.1632 17.8204 17.8204 18.7492 18.7492 18.8775 18.8775 23.1248 23.1248 23.2811 23.2811 23.4683 23.4683 30.3387 30.3387 k = 0.1304 0.1304 0.1304 ( 1225 PWs) bands (ev): -65.6336 -65.6336 -34.0253 -34.0253 -21.8553 -21.8553 -21.8506 -21.8506 7.4825 7.4825 15.1790 15.1790 15.1803 15.1803 17.7193 17.7193 18.6847 18.6847 18.7884 18.7884 23.1878 23.1878 23.3175 23.3175 23.5045 23.5045 30.3761 30.3761 k = 0.1359 0.1359 0.1359 ( 1225 PWs) bands (ev): -65.6332 -65.6332 -34.0266 -34.0266 -21.8589 -21.8589 -21.8538 -21.8538 7.5641 7.5641 15.1943 15.1943 15.1985 15.1985 17.6203 17.6203 18.6204 18.6204 18.6996 18.6996 23.2502 23.2502 23.3542 23.3542 23.5400 23.5400 30.4179 30.4179 k = 0.1413 0.1413 0.1413 ( 1213 PWs) bands (ev): -65.6328 -65.6328 -34.0280 -34.0280 -21.8624 -21.8624 -21.8572 -21.8572 7.6482 7.6482 15.2090 15.2090 15.2166 15.2166 17.5237 17.5237 18.5565 18.5565 18.6116 18.6116 23.3119 23.3119 23.3913 23.3913 23.5745 23.5745 30.4640 30.4640 k = 0.1467 0.1467 0.1467 ( 1213 PWs) bands (ev): -65.6324 -65.6324 -34.0294 -34.0294 -21.8661 -21.8661 -21.8606 -21.8606 7.7349 7.7349 15.2226 15.2226 15.2343 15.2343 17.4298 17.4298 18.4934 18.4934 18.5245 18.5245 23.3725 23.3725 23.4286 23.4286 23.6081 23.6081 30.5143 30.5143 k = 0.1522 0.1522 0.1522 ( 1213 PWs) bands (ev): -65.6319 -65.6319 -34.0308 -34.0308 -21.8699 -21.8699 -21.8641 -21.8641 7.8239 7.8239 15.2351 15.2351 15.2516 15.2516 17.3387 17.3387 18.4315 18.4315 18.4388 18.4388 23.4318 23.4318 23.4660 23.4660 23.6408 23.6408 30.5686 30.5686 k = 0.1576 0.1576 0.1576 ( 1219 PWs) bands (ev): -65.6315 -65.6315 -34.0323 -34.0323 -21.8738 -21.8738 -21.8678 -21.8678 7.9152 7.9152 15.2462 15.2462 15.2682 15.2682 17.2509 17.2509 18.3548 18.3548 18.3712 18.3712 23.4893 23.4893 23.5036 23.5036 23.6725 23.6725 30.6268 30.6268 k = 0.1630 0.1630 0.1630 ( 1219 PWs) bands (ev): -65.6311 -65.6311 -34.0339 -34.0339 -21.8777 -21.8777 -21.8714 -21.8714 8.0086 8.0086 15.2555 15.2555 15.2838 15.2838 17.1664 17.1664 18.2730 18.2730 18.3131 18.3131 23.5413 23.5413 23.5443 23.5443 23.7039 23.7039 30.6892 30.6899 k = 0.1685 0.1685 0.1685 ( 1219 PWs) bands (ev): -65.6306 -65.6306 -34.0354 -34.0354 -21.8817 -21.8817 -21.8752 -21.8752 8.1041 8.1041 15.2627 15.2627 15.2982 15.2982 17.0857 17.0857 18.1937 18.1937 18.2576 18.2576 23.5790 23.5790 23.5956 23.5956 23.7356 23.7356 30.7396 30.7396 k = 0.1739 0.1739 0.1739 ( 1219 PWs) bands (ev): -65.6302 -65.6302 -34.0370 -34.0370 -21.8857 -21.8857 -21.8790 -21.8790 8.2015 8.2015 15.2675 15.2675 15.3110 15.3110 17.0089 17.0089 18.1176 18.1176 18.2052 18.2052 23.6166 23.6166 23.6411 23.6411 23.7691 23.7691 30.7467 30.7467 k = 0.1793 0.1793 0.1793 ( 1213 PWs) bands (ev): -65.6297 -65.6297 -34.0386 -34.0386 -21.8898 -21.8898 -21.8829 -21.8829 8.3006 8.3006 15.2696 15.2696 15.3219 15.3219 16.9362 16.9362 18.0450 18.0450 18.1564 18.1564 23.6543 23.6543 23.6787 23.6787 23.8063 23.8063 30.5523 30.5523 k = 0.1848 0.1848 0.1848 ( 1213 PWs) bands (ev): -65.6292 -65.6292 -34.0402 -34.0402 -21.8939 -21.8939 -21.8868 -21.8868 8.4013 8.4013 15.2687 15.2687 15.3303 15.3303 16.8679 16.8679 17.9765 17.9765 18.1117 18.1117 23.6918 23.6918 23.7068 23.7068 23.8480 23.8480 30.3127 30.3127 k = 0.1902 0.1902 0.1902 ( 1214 PWs) bands (ev): -65.6287 -65.6287 -34.0418 -34.0418 -21.8981 -21.8981 -21.8908 -21.8908 8.5035 8.5035 15.2643 15.2643 15.3360 15.3360 16.8042 16.8042 17.9127 17.9127 18.0714 18.0714 23.7254 23.7254 23.7292 23.7292 23.8936 23.8936 30.0724 30.0724 k = 0.1957 0.1957 0.1957 ( 1214 PWs) bands (ev): -65.6283 -65.6283 -34.0435 -34.0435 -21.9022 -21.9022 -21.8948 -21.8948 8.6070 8.6070 15.2562 15.2562 15.3385 15.3385 16.7454 16.7454 17.8540 17.8540 18.0362 18.0362 23.7355 23.7355 23.7664 23.7664 23.9415 23.9415 29.8361 29.8361 k = 0.2011 0.2011 0.2011 ( 1214 PWs) bands (ev): -65.6278 -65.6278 -34.0452 -34.0452 -21.9064 -21.9064 -21.8989 -21.8989 8.7116 8.7116 15.2441 15.2441 15.3372 15.3372 16.6918 16.6918 17.8010 17.8010 18.0064 18.0064 23.7377 23.7377 23.8033 23.8033 23.9903 23.9903 29.6059 29.6059 k = 0.2065 0.2065 0.2065 ( 1214 PWs) bands (ev): -65.6273 -65.6273 -34.0469 -34.0469 -21.9107 -21.9107 -21.9030 -21.9030 8.8171 8.8171 15.2278 15.2278 15.3319 15.3319 16.6435 16.6435 17.7543 17.7543 17.9823 17.9823 23.7321 23.7321 23.8400 23.8400 24.0392 24.0392 29.3830 29.3830 k = 0.2120 0.2120 0.2120 ( 1214 PWs) bands (ev): -65.6268 -65.6268 -34.0486 -34.0486 -21.9149 -21.9149 -21.9072 -21.9072 8.9234 8.9234 15.2072 15.2072 15.3221 15.3221 16.6009 16.6009 17.7144 17.7144 17.9642 17.9642 23.7182 23.7182 23.8764 23.8764 24.0877 24.0877 29.1688 29.1688 k = 0.2174 0.2174 0.2174 ( 1208 PWs) bands (ev): -65.6262 -65.6262 -34.0503 -34.0503 -21.9191 -21.9191 -21.9113 -21.9113 9.0304 9.0304 15.1821 15.1821 15.3074 15.3074 16.5642 16.5642 17.6817 17.6817 17.9525 17.9525 23.6957 23.6957 23.9125 23.9125 24.1353 24.1353 28.9645 28.9645 k = 0.2228 0.2228 0.2228 ( 1205 PWs) bands (ev): -65.6257 -65.6257 -34.0520 -34.0520 -21.9233 -21.9233 -21.9155 -21.9155 9.1377 9.1377 15.1527 15.1527 15.2876 15.2876 16.5336 16.5336 17.6564 17.6564 17.9472 17.9472 23.6637 23.6637 23.9481 23.9481 24.1818 24.1818 28.7711 28.7711 k = 0.2283 0.2283 0.2283 ( 1205 PWs) bands (ev): -65.6252 -65.6252 -34.0537 -34.0537 -21.9276 -21.9276 -21.9197 -21.9197 9.2452 9.2452 15.1188 15.1188 15.2626 15.2626 16.5095 16.5095 17.6388 17.6388 17.9483 17.9483 23.6217 23.6217 23.9833 23.9833 24.2270 24.2270 28.5896 28.5896 k = 0.2337 0.2337 0.2337 ( 1205 PWs) bands (ev): -65.6247 -65.6247 -34.0555 -34.0555 -21.9318 -21.9318 -21.9239 -21.9239 9.3528 9.3528 15.0807 15.0807 15.2323 15.2323 16.4919 16.4919 17.6290 17.6290 17.9558 17.9558 23.5689 23.5689 24.0179 24.0179 24.2708 24.2708 28.4209 28.4209 k = 0.2391 0.2391 0.2391 ( 1205 PWs) bands (ev): -65.6242 -65.6242 -34.0572 -34.0572 -21.9360 -21.9360 -21.9281 -21.9281 9.4601 9.4601 15.0385 15.0385 15.1969 15.1969 16.4812 16.4812 17.6271 17.6271 17.9697 17.9697 23.5049 23.5049 24.0520 24.0520 24.3130 24.3130 28.2658 28.2658 k = 0.2446 0.2446 0.2446 ( 1196 PWs) bands (ev): -65.6236 -65.6236 -34.0589 -34.0589 -21.9402 -21.9402 -21.9323 -21.9323 9.5671 9.5671 14.9926 14.9926 15.1566 15.1566 16.4774 16.4774 17.6330 17.6330 17.9898 17.9898 23.4290 23.4290 24.0856 24.0856 24.3535 24.3535 28.1248 28.1248 k = 0.2500 0.2500 0.2500 ( 1196 PWs) bands (ev): -65.6231 -65.6231 -34.0606 -34.0606 -21.9444 -21.9444 -21.9365 -21.9365 9.6735 9.6735 14.9431 14.9431 15.1116 15.1116 16.4808 16.4808 17.6463 17.6463 18.0159 18.0159 23.3411 23.3411 24.1183 24.1183 24.3921 24.3921 27.9982 27.9982 k = 0.2554 0.2554 0.2554 ( 1202 PWs) bands (ev): -65.6226 -65.6226 -34.0624 -34.0624 -21.9486 -21.9486 -21.9408 -21.9408 9.7792 9.7792 14.8905 14.8905 15.0624 15.0624 16.4914 16.4914 17.6668 17.6668 18.0477 18.0477 23.2411 23.2411 24.1503 24.1503 24.4287 24.4287 27.8862 27.8862 k = 0.2609 0.2609 0.2609 ( 1202 PWs) bands (ev): -65.6221 -65.6221 -34.0641 -34.0641 -21.9527 -21.9527 -21.9450 -21.9450 9.8839 9.8839 14.8351 14.8351 15.0095 15.0095 16.5093 16.5093 17.6943 17.6943 18.0850 18.0850 23.1294 23.1294 24.1815 24.1815 24.4632 24.4632 27.7887 27.7887 k = 0.2663 0.2663 0.2663 ( 1202 PWs) bands (ev): -65.6216 -65.6216 -34.0658 -34.0658 -21.9568 -21.9568 -21.9491 -21.9491 9.9876 9.9876 14.7773 14.7773 14.9532 14.9532 16.5348 16.5348 17.7285 17.7285 18.1276 18.1276 23.0063 23.0063 24.2118 24.2118 24.4954 24.4954 27.7051 27.7051 k = 0.2717 0.2717 0.2717 ( 1196 PWs) bands (ev): -65.6210 -65.6210 -34.0675 -34.0675 -21.9607 -21.9607 -21.9533 -21.9533 10.0900 10.0900 14.7173 14.7173 14.8942 14.8942 16.5677 16.5677 17.7689 17.7689 18.1752 18.1752 22.8727 22.8727 24.2410 24.2410 24.5252 24.5252 27.6350 27.6350 k = 0.2772 0.2772 0.2772 ( 1214 PWs) bands (ev): -65.6206 -65.6206 -34.0693 -34.0693 -21.9648 -21.9648 -21.9575 -21.9575 10.1910 10.1910 14.6555 14.6555 14.8328 14.8328 16.6080 16.6080 17.8152 17.8152 18.2274 18.2274 22.7289 22.7289 24.2690 24.2690 24.5523 24.5523 27.5772 27.5772 k = 0.2826 0.2826 0.2826 ( 1214 PWs) bands (ev): -65.6201 -65.6201 -34.0710 -34.0710 -21.9688 -21.9688 -21.9616 -21.9616 10.2905 10.2905 14.5923 14.5923 14.7696 14.7696 16.6561 16.6561 17.8671 17.8671 18.2842 18.2842 22.5764 22.5764 24.2959 24.2959 24.5768 24.5768 27.5312 27.5312 k = 0.2880 0.2880 0.2880 ( 1214 PWs) bands (ev): -65.6196 -65.6196 -34.0726 -34.0726 -21.9727 -21.9727 -21.9657 -21.9657 10.3884 10.3884 14.5281 14.5281 14.7049 14.7049 16.7116 16.7116 17.9243 17.9243 18.3451 18.3451 22.4161 22.4161 24.3215 24.3215 24.5983 24.5983 27.4959 27.4959 k = 0.2935 0.2935 0.2935 ( 1214 PWs) bands (ev): -65.6191 -65.6191 -34.0743 -34.0743 -21.9765 -21.9765 -21.9697 -21.9697 10.4847 10.4847 14.4630 14.4630 14.6391 14.6391 16.7747 16.7747 17.9865 17.9865 18.4099 18.4099 22.2490 22.2490 24.3457 24.3457 24.6166 24.6166 27.4701 27.4701 k = 0.2989 0.2989 0.2989 ( 1214 PWs) bands (ev): -65.6186 -65.6186 -34.0759 -34.0759 -21.9803 -21.9803 -21.9737 -21.9737 10.5792 10.5792 14.3974 14.3974 14.5726 14.5726 16.8452 16.8452 18.0534 18.0534 18.4785 18.4785 22.0762 22.0762 24.3683 24.3683 24.6316 24.6316 27.4530 27.4530 k = 0.3043 0.3043 0.3043 ( 1214 PWs) bands (ev): -65.6181 -65.6181 -34.0775 -34.0775 -21.9841 -21.9841 -21.9776 -21.9776 10.6719 10.6719 14.3316 14.3316 14.5057 14.5057 16.9229 16.9229 18.1248 18.1248 18.5507 18.5507 21.8987 21.8987 24.3892 24.3892 24.6430 24.6430 27.4434 27.4434 k = 0.3098 0.3098 0.3098 ( 1214 PWs) bands (ev): -65.6176 -65.6176 -34.0791 -34.0791 -21.9877 -21.9877 -21.9814 -21.9814 10.7629 10.7629 14.2657 14.2657 14.4387 14.4387 17.0077 17.0077 18.2006 18.2006 18.6262 18.6262 21.7176 21.7176 24.4083 24.4083 24.6506 24.6506 27.4404 27.4404 k = 0.3152 0.3152 0.3152 ( 1214 PWs) bands (ev): -65.6171 -65.6171 -34.0807 -34.0807 -21.9913 -21.9913 -21.9852 -21.9852 10.8521 10.8521 14.2000 14.2000 14.3718 14.3718 17.0994 17.0994 18.2804 18.2804 18.7048 18.7048 21.5338 21.5338 24.4253 24.4253 24.6541 24.6541 27.4432 27.4432 k = 0.3207 0.3207 0.3207 ( 1208 PWs) bands (ev): -65.6166 -65.6166 -34.0822 -34.0822 -21.9948 -21.9948 -21.9889 -21.9889 10.9396 10.9396 14.1347 14.1347 14.3054 14.3054 17.1977 17.1977 18.3641 18.3641 18.7864 18.7864 21.3483 21.3483 24.4404 24.4404 24.6534 24.6534 27.4510 27.4510 k = 0.3261 0.3261 0.3261 ( 1208 PWs) bands (ev): -65.6162 -65.6162 -34.0837 -34.0837 -21.9983 -21.9983 -21.9926 -21.9926 11.0255 11.0255 14.0700 14.0700 14.2395 14.2395 17.3022 17.3022 18.4515 18.4515 18.8709 18.8709 21.1619 21.1619 24.4530 24.4530 24.6481 24.6481 27.4630 27.4630 k = 0.3315 0.3315 0.3315 ( 1205 PWs) bands (ev): -65.6157 -65.6157 -34.0852 -34.0852 -22.0016 -22.0016 -21.9962 -21.9962 11.1098 11.1098 14.0060 14.0060 14.1744 14.1744 17.4126 17.4126 18.5423 18.5423 18.9580 18.9580 20.9757 20.9757 24.4631 24.4631 24.6379 24.6379 27.4786 27.4786 k = 0.3370 0.3370 0.3370 ( 1205 PWs) bands (ev): -65.6153 -65.6153 -34.0867 -34.0867 -22.0049 -22.0049 -21.9997 -21.9997 11.1925 11.1925 13.9429 13.9429 14.1103 14.1103 17.5284 17.5284 18.6361 18.6361 19.0477 19.0477 20.7907 20.7907 24.4705 24.4705 24.6228 24.6228 27.4971 27.4971 k = 0.3424 0.3424 0.3424 ( 1208 PWs) bands (ev): -65.6148 -65.6148 -34.0881 -34.0881 -22.0081 -22.0081 -22.0032 -22.0032 11.2739 11.2739 13.8809 13.8809 14.0473 14.0473 17.6491 17.6491 18.7322 18.7322 19.1398 19.1398 20.6082 20.6082 24.4751 24.4751 24.6023 24.6023 27.5180 27.5180 k = 0.3478 0.3478 0.3478 ( 1214 PWs) bands (ev): -65.6144 -65.6144 -34.0895 -34.0895 -22.0112 -22.0112 -22.0066 -22.0066 11.3539 11.3539 13.8200 13.8200 13.9855 13.9855 17.7741 17.7741 18.8296 18.8296 19.2342 19.2342 20.4300 20.4300 24.4764 24.4764 24.5763 24.5763 27.5408 27.5408 k = 0.3533 0.3533 0.3533 ( 1214 PWs) bands (ev): -65.6140 -65.6140 -34.0908 -34.0908 -22.0143 -22.0143 -22.0099 -22.0099 11.4328 11.4328 13.7604 13.7604 13.9252 13.9252 17.9028 17.9028 18.9263 18.9263 19.3307 19.3307 20.2589 20.2589 24.4746 24.4746 24.5448 24.5448 27.5651 27.5651 k = 0.3587 0.3587 0.3587 ( 1217 PWs) bands (ev): -65.6136 -65.6136 -34.0922 -34.0922 -22.0172 -22.0172 -22.0131 -22.0131 11.5106 11.5106 13.7023 13.7023 13.8663 13.8663 18.0342 18.0342 19.0180 19.0180 19.4293 19.4293 20.0998 20.0998 24.4692 24.4692 24.5076 24.5076 27.5903 27.5903 k = 0.3641 0.3641 0.3641 ( 1214 PWs) bands (ev): -65.6132 -65.6132 -34.0934 -34.0934 -22.0201 -22.0201 -22.0162 -22.0162 11.5874 11.5874 13.6457 13.6457 13.8091 13.8091 18.1674 18.1674 19.0962 19.0962 19.5299 19.5299 19.9625 19.9625 24.4600 24.4600 24.4644 24.4644 27.6161 27.6161 k = 0.3696 0.3696 0.3696 ( 1202 PWs) bands (ev): -65.6128 -65.6128 -34.0947 -34.0947 -22.0228 -22.0228 -22.0191 -22.0191 11.6633 11.6633 13.5908 13.5908 13.7537 13.7537 18.3009 18.3009 19.1437 19.1437 19.6323 19.6323 19.8653 19.8653 24.4156 24.4156 24.4471 24.4471 27.6421 27.6421 k = 0.3750 0.3750 0.3750 ( 1202 PWs) bands (ev): -65.6124 -65.6124 -34.0959 -34.0959 -22.0254 -22.0254 -22.0220 -22.0220 11.7383 11.7383 13.5375 13.5375 13.7000 13.7000 18.4320 18.4320 19.1383 19.1383 19.7363 19.7363 19.8328 19.8328 24.3608 24.3608 24.4298 24.4298 27.6679 27.6679 k = 0.3804 0.3804 0.3804 ( 1202 PWs) bands (ev): -65.6121 -65.6121 -34.0970 -34.0970 -22.0280 -22.0280 -22.0248 -22.0248 11.8126 11.8126 13.4860 13.4860 13.6482 13.6482 18.5545 18.5545 19.0800 19.0800 19.8420 19.8420 19.8713 19.8713 24.3002 24.3002 24.4082 24.4082 27.6932 27.6932 k = 0.3859 0.3859 0.3859 ( 1202 PWs) bands (ev): -65.6117 -65.6117 -34.0981 -34.0981 -22.0304 -22.0304 -22.0275 -22.0275 11.8862 11.8862 13.4363 13.4363 13.5983 13.5983 18.6469 18.6469 19.0102 19.0102 19.9491 19.9491 19.9605 19.9605 24.2340 24.2340 24.3820 24.3820 27.7176 27.7176 k = 0.3913 0.3913 0.3913 ( 1196 PWs) bands (ev): -65.6114 -65.6114 -34.0992 -34.0992 -22.0328 -22.0328 -22.0301 -22.0301 11.9590 11.9590 13.3886 13.3886 13.5505 13.5505 18.6509 18.6509 19.0082 19.0082 20.0575 20.0575 20.0794 20.0794 24.1626 24.1626 24.3513 24.3513 27.7408 27.7408 k = 0.3967 0.3967 0.3967 ( 1196 PWs) bands (ev): -65.6111 -65.6111 -34.1002 -34.1002 -22.0350 -22.0350 -22.0326 -22.0326 12.0311 12.0311 13.3428 13.3428 13.5048 13.5048 18.5572 18.5572 19.0945 19.0945 20.1671 20.1671 20.2160 20.2160 24.0860 24.0860 24.3156 24.3156 27.7624 27.7624 k = 0.4022 0.4022 0.4022 ( 1196 PWs) bands (ev): -65.6108 -65.6108 -34.1012 -34.1012 -22.0372 -22.0372 -22.0349 -22.0349 12.1024 12.1024 13.2991 13.2991 13.4613 13.4613 18.4265 18.4265 19.2145 19.2145 20.2777 20.2777 20.3642 20.3642 24.0047 24.0047 24.2751 24.2751 27.7822 27.7822 k = 0.4076 0.4076 0.4076 ( 1196 PWs) bands (ev): -65.6105 -65.6105 -34.1021 -34.1021 -22.0392 -22.0392 -22.0372 -22.0372 12.1729 12.1729 13.2575 13.2575 13.4200 13.4200 18.2853 18.2853 19.3444 19.3444 20.3892 20.3892 20.5208 20.5208 23.9192 23.9192 24.2297 24.2297 27.7998 27.7998 k = 0.4130 0.4130 0.4130 ( 1196 PWs) bands (ev): -65.6102 -65.6102 -34.1030 -34.1030 -22.0411 -22.0411 -22.0393 -22.0393 12.2423 12.2423 13.2180 13.2180 13.3810 13.3810 18.1419 18.1419 19.4776 19.4776 20.5014 20.5014 20.6833 20.6833 23.8299 23.8299 24.1795 24.1795 27.8149 27.8149 k = 0.4185 0.4185 0.4185 ( 1196 PWs) bands (ev): -65.6099 -65.6099 -34.1038 -34.1038 -22.0429 -22.0429 -22.0413 -22.0413 12.3105 12.3105 13.1807 13.1807 13.3445 13.3445 18.0000 18.0000 19.6116 19.6116 20.6141 20.6141 20.8500 20.8500 23.7377 23.7377 24.1244 24.1244 27.8275 27.8275 k = 0.4239 0.4239 0.4239 ( 1184 PWs) bands (ev): -65.6097 -65.6097 -34.1046 -34.1046 -22.0446 -22.0446 -22.0432 -22.0432 12.3773 12.3773 13.1457 13.1457 13.3104 13.3104 17.8613 17.8613 19.7458 19.7458 20.7271 20.7271 21.0190 21.0190 23.6433 23.6433 24.0649 24.0649 27.8373 27.8373 k = 0.4293 0.4293 0.4293 ( 1193 PWs) bands (ev): -65.6095 -65.6095 -34.1053 -34.1053 -22.0462 -22.0462 -22.0450 -22.0450 12.4424 12.4424 13.1129 13.1129 13.2788 13.2788 17.7270 17.7270 19.8793 19.8793 20.8398 20.8398 21.1883 21.1883 23.5475 23.5475 24.0010 24.0010 27.8442 27.8442 k = 0.4348 0.4348 0.4348 ( 1187 PWs) bands (ev): -65.6092 -65.6092 -34.1060 -34.1060 -22.0476 -22.0476 -22.0466 -22.0466 12.5054 12.5054 13.0824 13.0824 13.2498 13.2498 17.5981 17.5981 20.0121 20.0121 20.9524 20.9524 21.3558 21.3558 23.4519 23.4519 23.9331 23.9331 27.8484 27.8484 k = 0.4402 0.4402 0.4402 ( 1193 PWs) bands (ev): -65.6090 -65.6090 -34.1067 -34.1067 -22.0490 -22.0490 -22.0482 -22.0482 12.5658 12.5658 13.0543 13.0543 13.2236 13.2236 17.4755 17.4755 20.1439 20.1439 21.0639 21.0639 21.5185 21.5185 23.3579 23.3579 23.8617 23.8617 27.8497 27.8497 k = 0.4457 0.4457 0.4457 ( 1193 PWs) bands (ev): -65.6089 -65.6089 -34.1072 -34.1072 -22.0503 -22.0503 -22.0496 -22.0496 12.6233 12.6233 13.0285 13.0285 13.2003 13.2003 17.3599 17.3599 20.2746 20.2746 21.1744 21.1744 21.6729 21.6729 23.2684 23.2684 23.7874 23.7874 27.8485 27.8485 k = 0.4511 0.4511 0.4511 ( 1196 PWs) bands (ev): -65.6087 -65.6087 -34.1078 -34.1078 -22.0514 -22.0514 -22.0509 -22.0509 12.6770 12.6770 13.0050 13.0050 13.1801 13.1801 17.2520 17.2520 20.4039 20.4039 21.2829 21.2829 21.8140 21.8140 23.1867 23.1867 23.7109 23.7109 27.8445 27.8445 k = 0.4565 0.4565 0.4565 ( 1202 PWs) bands (ev): -65.6086 -65.6086 -34.1083 -34.1083 -22.0525 -22.0525 -22.0520 -22.0520 12.7262 12.7262 12.9840 12.9840 13.1630 13.1630 17.1526 17.1526 20.5315 20.5315 21.3889 21.3889 21.9349 21.9349 23.1183 23.1183 23.6331 23.6331 27.8377 27.8377 k = 0.4620 0.4620 0.4620 ( 1208 PWs) bands (ev): -65.6085 -65.6085 -34.1087 -34.1087 -22.0534 -22.0534 -22.0531 -22.0531 12.7703 12.7703 12.9654 12.9654 13.1494 13.1494 17.0624 17.0624 20.6569 20.6569 21.4912 21.4912 22.0271 22.0271 23.0700 23.0700 23.5551 23.5551 27.8280 27.8280 k = 0.4674 0.4674 0.4674 ( 1208 PWs) bands (ev): -65.6084 -65.6084 -34.1091 -34.1091 -22.0542 -22.0542 -22.0539 -22.0539 12.8085 12.8085 12.9493 12.9493 13.1394 13.1394 16.9822 16.9822 20.7792 20.7792 21.5885 21.5885 22.0824 22.0824 23.0485 23.0485 23.4786 23.4786 27.8098 27.8099 k = 0.4728 0.4728 0.4728 ( 1208 PWs) bands (ev): -65.6083 -65.6083 -34.1094 -34.1094 -22.0549 -22.0549 -22.0547 -22.0547 12.8402 12.8402 12.9356 12.9356 13.1330 13.1330 16.9127 16.9127 20.8974 20.8974 21.6791 21.6791 22.0974 22.0974 23.0555 23.0555 23.4053 23.4053 27.7857 27.7857 k = 0.4783 0.4783 0.4783 ( 1208 PWs) bands (ev): -65.6082 -65.6082 -34.1096 -34.1096 -22.0554 -22.0554 -22.0553 -22.0553 12.8651 12.8651 12.9244 12.9244 13.1298 13.1298 16.8548 16.8548 21.0092 21.0092 21.7607 21.7607 22.0777 22.0777 23.0843 23.0843 23.3377 23.3377 27.7661 27.7661 k = 0.4837 0.4837 0.4837 ( 1208 PWs) bands (ev): -65.6081 -65.6081 -34.1098 -34.1098 -22.0558 -22.0558 -22.0558 -22.0558 12.8833 12.8833 12.9157 12.9157 13.1292 13.1292 16.8089 16.8089 21.1112 21.1112 21.8301 21.8301 22.0357 22.0357 23.1227 23.1227 23.2790 23.2790 27.7509 27.7509 k = 0.4891 0.4891 0.4891 ( 1208 PWs) bands (ev): -65.6081 -65.6081 -34.1100 -34.1100 -22.0561 -22.0561 -22.0561 -22.0561 12.8954 12.8954 12.9094 12.9094 13.1300 13.1300 16.7757 16.7757 21.1974 21.1974 21.8838 21.8838 21.9864 21.9864 23.1589 23.1589 23.2329 23.2329 27.7402 27.7402 k = 0.4946 0.4946 0.4946 ( 1208 PWs) bands (ev): -65.6080 -65.6080 -34.1100 -34.1100 -22.0563 -22.0563 -22.0563 -22.0563 12.9022 12.9022 12.9057 12.9057 13.1310 13.1310 16.7556 16.7556 21.2579 21.2579 21.9180 21.9180 21.9459 21.9459 23.1840 23.1840 23.2032 23.2032 27.7338 27.7339 k = 0.5000 0.5000 0.5000 ( 1208 PWs) bands (ev): -65.6080 -65.6080 -34.1101 -34.1101 -22.0564 -22.0564 -22.0564 -22.0564 12.9044 12.9044 12.9044 12.9044 13.1315 13.1315 16.7489 16.7489 21.2802 21.2802 21.9299 21.9299 21.9299 21.9299 23.1929 23.1929 23.1929 23.1929 27.7317 27.7317 k = 0.5000 0.5000 0.5000 ( 1208 PWs) bands (ev): -65.6080 -65.6080 -34.1101 -34.1101 -22.0564 -22.0564 -22.0564 -22.0564 12.9044 12.9044 12.9044 12.9044 13.1315 13.1315 16.7489 16.7489 21.2802 21.2802 21.9299 21.9299 21.9299 21.9299 23.1929 23.1929 23.1929 23.1929 27.7317 27.7317 k = 0.4934 0.5000 0.4934 ( 1208 PWs) bands (ev): -65.6080 -65.6080 -34.1100 -34.1100 -22.0564 -22.0564 -22.0563 -22.0563 12.9023 12.9023 12.9057 12.9057 13.1311 13.1311 16.7554 16.7554 21.2583 21.2583 21.9201 21.9201 21.9439 21.9439 23.1849 23.1849 23.2022 23.2022 27.7336 27.7336 k = 0.4868 0.5000 0.4868 ( 1208 PWs) bands (ev): -65.6081 -65.6081 -34.1100 -34.1100 -22.0563 -22.0563 -22.0559 -22.0559 12.8955 12.8955 12.9094 12.9094 13.1300 13.1300 16.7751 16.7751 21.1983 21.1983 21.8910 21.8910 21.9802 21.9802 23.1614 23.1614 23.2299 23.2299 27.7389 27.7389 k = 0.4803 0.5000 0.4803 ( 1208 PWs) bands (ev): -65.6081 -65.6081 -34.1098 -34.1098 -22.0563 -22.0563 -22.0554 -22.0554 12.8834 12.8834 12.9156 12.9156 13.1293 13.1293 16.8075 16.8075 21.1115 21.1115 21.8435 21.8435 22.0275 22.0275 23.1237 23.1237 23.2753 23.2753 27.7465 27.7465 k = 0.4737 0.5000 0.4737 ( 1208 PWs) bands (ev): -65.6082 -65.6082 -34.1096 -34.1096 -22.0562 -22.0562 -22.0546 -22.0546 12.8653 12.8653 12.9243 12.9243 13.1302 13.1302 16.8523 16.8523 21.0071 21.0071 21.7790 21.7790 22.0765 22.0765 23.0737 23.0737 23.3372 23.3372 27.7549 27.7549 k = 0.4671 0.5000 0.4671 ( 1208 PWs) bands (ev): -65.6083 -65.6083 -34.1094 -34.1094 -22.0560 -22.0560 -22.0536 -22.0536 12.8405 12.8405 12.9354 12.9354 13.1336 13.1336 16.9090 16.9090 20.8913 20.8913 21.6989 21.6989 22.1212 22.1212 23.0138 23.0138 23.4144 23.4144 27.7625 27.7625 k = 0.4605 0.5000 0.4605 ( 1208 PWs) bands (ev): -65.6083 -65.6083 -34.1091 -34.1091 -22.0559 -22.0559 -22.0524 -22.0524 12.8089 12.8089 12.9489 12.9489 13.1405 13.1405 16.9768 16.9768 20.7677 20.7677 21.6048 21.6048 22.1581 22.1581 22.9468 22.9468 23.5050 23.5050 27.7686 27.7686 k = 0.4539 0.5000 0.4539 ( 1208 PWs) bands (ev): -65.6085 -65.6085 -34.1087 -34.1087 -22.0557 -22.0557 -22.0510 -22.0510 12.7709 12.7709 12.9647 12.9647 13.1510 13.1510 17.0553 17.0553 20.6387 20.6387 21.4983 21.4983 22.1851 22.1851 22.8756 22.8756 23.6074 23.6074 27.7724 27.7724 k = 0.4474 0.5000 0.4474 ( 1198 PWs) bands (ev): -65.6086 -65.6086 -34.1083 -34.1083 -22.0554 -22.0554 -22.0492 -22.0492 12.7272 12.7272 12.9828 12.9828 13.1652 13.1652 17.1435 17.1435 20.5057 20.5057 21.3812 21.3812 22.2006 22.2006 22.8035 22.8035 23.7199 23.7199 27.7739 27.7739 k = 0.4408 0.5000 0.4408 ( 1198 PWs) bands (ev): -65.6087 -65.6087 -34.1078 -34.1078 -22.0552 -22.0552 -22.0474 -22.0474 12.6784 12.6784 13.0031 13.0031 13.1829 13.1829 17.2408 17.2408 20.3696 20.3696 21.2549 21.2549 22.2025 22.2025 22.7341 22.7341 23.8408 23.8408 27.7731 27.7731 k = 0.4342 0.5000 0.4342 ( 1198 PWs) bands (ev): -65.6089 -65.6089 -34.1073 -34.1073 -22.0549 -22.0549 -22.0453 -22.0453 12.6256 12.6256 13.0256 13.0256 13.2037 13.2037 17.3467 17.3467 20.2312 20.2312 21.1212 21.1212 22.1884 22.1884 22.6716 22.6716 23.9686 23.9686 27.7703 27.7703 k = 0.4276 0.5000 0.4276 ( 1186 PWs) bands (ev): -65.6090 -65.6090 -34.1067 -34.1067 -22.0546 -22.0546 -22.0430 -22.0430 12.5695 12.5695 13.0501 13.0501 13.2275 13.2275 17.4603 17.4603 20.0909 20.0909 20.9818 20.9818 22.1563 22.1563 22.6196 22.6196 24.1020 24.1020 27.7656 27.7656 k = 0.4211 0.5000 0.4211 ( 1194 PWs) bands (ev): -65.6092 -65.6092 -34.1061 -34.1061 -22.0543 -22.0543 -22.0406 -22.0406 12.5106 12.5106 13.0767 13.0767 13.2540 13.2540 17.5811 17.5811 19.9488 19.9488 20.8379 20.8379 22.1055 22.1055 22.5798 22.5798 24.2398 24.2398 27.7592 27.7592 k = 0.4145 0.5000 0.4145 ( 1198 PWs) bands (ev): -65.6094 -65.6094 -34.1055 -34.1055 -22.0540 -22.0540 -22.0379 -22.0379 12.4497 12.4497 13.1052 13.1052 13.2830 13.2830 17.7086 17.7086 19.8056 19.8056 20.6911 20.6911 22.0380 22.0380 22.5513 22.5513 24.3812 24.3812 27.7512 27.7512 k = 0.4079 0.5000 0.4079 ( 1198 PWs) bands (ev): -65.6096 -65.6096 -34.1048 -34.1048 -22.0536 -22.0536 -22.0351 -22.0351 12.3875 12.3875 13.1356 13.1356 13.3142 13.3142 17.8422 17.8422 19.6613 19.6613 20.5429 20.5429 21.9577 21.9577 22.5311 22.5311 24.5256 24.5256 27.7419 27.7419 k = 0.4013 0.5000 0.4013 ( 1202 PWs) bands (ev): -65.6099 -65.6099 -34.1041 -34.1041 -22.0532 -22.0532 -22.0320 -22.0320 12.3242 12.3242 13.1678 13.1678 13.3475 13.3475 17.9815 17.9815 19.5164 19.5164 20.3942 20.3942 21.8680 21.8680 22.5164 22.5164 24.6721 24.6721 27.7314 27.7314 k = 0.3947 0.5000 0.3947 ( 1198 PWs) bands (ev): -65.6101 -65.6101 -34.1033 -34.1033 -22.0528 -22.0528 -22.0288 -22.0288 12.2603 12.2603 13.2018 13.2018 13.3826 13.3826 18.1261 18.1261 19.3711 19.3711 20.2463 20.2463 21.7718 21.7718 22.5050 22.5050 24.8203 24.8203 27.7197 27.7197 k = 0.3882 0.5000 0.3882 ( 1198 PWs) bands (ev): -65.6104 -65.6104 -34.1024 -34.1024 -22.0524 -22.0524 -22.0253 -22.0253 12.1963 12.1963 13.2373 13.2373 13.4192 13.4192 18.2754 18.2754 19.2259 19.2259 20.0998 20.0998 21.6710 21.6710 22.4953 22.4953 24.9697 24.9697 27.7069 27.7069 k = 0.3816 0.5000 0.3816 ( 1198 PWs) bands (ev): -65.6107 -65.6107 -34.1015 -34.1015 -22.0519 -22.0519 -22.0217 -22.0217 12.1323 12.1323 13.2744 13.2744 13.4571 13.4571 18.4290 18.4290 19.0813 19.0813 19.9555 19.9555 21.5668 21.5668 22.4865 22.4865 25.1198 25.1198 27.6931 27.6931 k = 0.3750 0.5000 0.3750 ( 1206 PWs) bands (ev): -65.6110 -65.6110 -34.1006 -34.1006 -22.0515 -22.0515 -22.0180 -22.0180 12.0687 12.0687 13.3127 13.3127 13.4960 13.4960 18.5858 18.5858 18.9387 18.9387 19.8139 19.8139 21.4603 21.4603 22.4780 22.4780 25.2703 25.2703 27.6784 27.6784 k = 0.3684 0.5000 0.3684 ( 1206 PWs) bands (ev): -65.6113 -65.6113 -34.0997 -34.0997 -22.0510 -22.0510 -22.0141 -22.0141 12.0058 12.0058 13.3522 13.3522 13.5357 13.5357 18.7325 18.7325 18.8116 18.8116 19.6756 19.6756 21.3521 21.3521 22.4697 22.4697 25.4208 25.4208 27.6629 27.6629 k = 0.3618 0.5000 0.3618 ( 1194 PWs) bands (ev): -65.6115 -65.6115 -34.0987 -34.0987 -22.0504 -22.0504 -22.0099 -22.0099 11.9436 11.9436 13.3925 13.3925 13.5760 13.5760 18.6485 18.6485 18.9211 18.9211 19.5409 19.5409 21.2428 21.2428 22.4613 22.4613 25.5710 25.5710 27.6468 27.6468 k = 0.3553 0.5000 0.3553 ( 1194 PWs) bands (ev): -65.6119 -65.6119 -34.0976 -34.0976 -22.0498 -22.0498 -22.0056 -22.0056 11.8825 11.8825 13.4331 13.4331 13.6166 13.6166 18.5135 18.5135 19.0873 19.0873 19.4101 19.4101 21.1327 21.1327 22.4527 22.4527 25.7206 25.7206 27.6300 27.6300 k = 0.3487 0.5000 0.3487 ( 1198 PWs) bands (ev): -65.6122 -65.6122 -34.0966 -34.0966 -22.0493 -22.0493 -22.0012 -22.0012 11.8224 11.8224 13.4734 13.4734 13.6577 13.6577 18.3809 18.3809 19.2476 19.2476 19.2934 19.2934 21.0224 21.0224 22.4438 22.4438 25.8691 25.8691 27.6125 27.6125 k = 0.3421 0.5000 0.3421 ( 1196 PWs) bands (ev): -65.6125 -65.6125 -34.0955 -34.0955 -22.0487 -22.0487 -21.9967 -21.9967 11.7637 11.7637 13.5127 13.5127 13.6992 13.6992 18.2528 18.2528 19.1558 19.1558 19.4352 19.4352 20.9124 20.9124 22.4346 22.4346 26.0164 26.0164 27.5948 27.5948 k = 0.3355 0.5000 0.3355 ( 1196 PWs) bands (ev): -65.6129 -65.6129 -34.0943 -34.0943 -22.0481 -22.0481 -21.9920 -21.9920 11.7063 11.7063 13.5498 13.5498 13.7417 13.7417 18.1302 18.1302 19.0367 19.0367 19.6099 19.6099 20.8035 20.8035 22.4252 22.4252 26.1620 26.1620 27.5768 27.5768 k = 0.3289 0.5000 0.3289 ( 1196 PWs) bands (ev): -65.6132 -65.6132 -34.0932 -34.0932 -22.0475 -22.0475 -21.9872 -21.9872 11.6505 11.6505 13.5833 13.5833 13.7856 13.7856 18.0142 18.0142 18.9210 18.9210 19.7850 19.7850 20.6975 20.6975 22.4157 22.4157 26.3055 26.3055 27.5588 27.5588 k = 0.3224 0.5000 0.3224 ( 1196 PWs) bands (ev): -65.6136 -65.6136 -34.0920 -34.0920 -22.0469 -22.0469 -21.9822 -21.9822 11.5962 11.5962 13.6119 13.6119 13.8315 13.8315 17.9057 17.9057 18.8092 18.8092 19.9559 19.9559 20.5984 20.5984 22.4060 22.4060 26.4464 26.4464 27.5411 27.5411 k = 0.3158 0.5000 0.3158 ( 1198 PWs) bands (ev): -65.6140 -65.6140 -34.0908 -34.0908 -22.0462 -22.0462 -21.9772 -21.9772 11.5435 11.5435 13.6341 13.6341 13.8802 13.8802 17.8055 17.8055 18.7016 18.7016 20.1079 20.1079 20.5208 20.5208 22.3962 22.3962 26.5842 26.5842 27.5240 27.5240 k = 0.3092 0.5000 0.3092 ( 1198 PWs) bands (ev): -65.6144 -65.6144 -34.0895 -34.0895 -22.0456 -22.0456 -21.9720 -21.9720 11.4925 11.4925 13.6487 13.6487 13.9319 13.9319 17.7143 17.7143 18.5982 18.5982 20.1871 20.1871 20.5185 20.5185 22.3866 22.3866 26.7180 26.7180 27.5082 27.5082 k = 0.3026 0.5000 0.3026 ( 1194 PWs) bands (ev): -65.6148 -65.6148 -34.0882 -34.0882 -22.0449 -22.0449 -21.9668 -21.9668 11.4432 11.4432 13.6550 13.6550 13.9867 13.9867 17.6328 17.6328 18.4996 18.4996 20.1506 20.1506 20.6342 20.6342 22.3772 22.3772 26.8464 26.8464 27.4949 27.4949 k = 0.2961 0.5000 0.2961 ( 1198 PWs) bands (ev): -65.6152 -65.6152 -34.0870 -34.0870 -22.0442 -22.0442 -21.9614 -21.9614 11.3958 11.3958 13.6525 13.6525 14.0444 14.0444 17.5610 17.5610 18.4058 18.4058 20.0639 20.0639 20.8022 20.8022 22.3682 22.3682 26.9671 26.9671 27.4861 27.4861 k = 0.2895 0.5000 0.2895 ( 1198 PWs) bands (ev): -65.6156 -65.6156 -34.0857 -34.0857 -22.0435 -22.0435 -21.9560 -21.9560 11.3501 11.3501 13.6407 13.6407 14.1048 14.1048 17.4991 17.4991 18.3176 18.3176 19.9637 19.9637 20.9855 20.9855 22.3599 22.3599 27.0754 27.0754 27.4862 27.4862 k = 0.2829 0.5000 0.2829 ( 1198 PWs) bands (ev): -65.6160 -65.6160 -34.0844 -34.0844 -22.0428 -22.0428 -21.9505 -21.9505 11.3063 11.3063 13.6198 13.6198 14.1678 14.1678 17.4464 17.4464 18.2358 18.2358 19.8592 19.8592 21.1745 21.1745 22.3530 22.3530 27.1627 27.1627 27.5030 27.5030 k = 0.2763 0.5000 0.2763 ( 1198 PWs) bands (ev): -65.6164 -65.6164 -34.0830 -34.0830 -22.0421 -22.0421 -21.9450 -21.9450 11.2643 11.2643 13.5898 13.5898 14.2330 14.2330 17.4020 17.4020 18.1615 18.1615 19.7531 19.7531 21.3653 21.3653 22.3484 22.3484 27.2185 27.2185 27.5413 27.5414 k = 0.2697 0.5000 0.2697 ( 1198 PWs) bands (ev): -65.6168 -65.6168 -34.0817 -34.0817 -22.0414 -22.0414 -21.9394 -21.9394 11.2241 11.2241 13.5509 13.5509 14.3002 14.3002 17.3643 17.3643 18.0960 18.0960 19.6468 19.6468 21.5549 21.5549 22.3479 22.3479 27.2419 27.2419 27.5375 27.5375 k = 0.2632 0.5000 0.2632 ( 1202 PWs) bands (ev): -65.6172 -65.6172 -34.0804 -34.0804 -22.0407 -22.0407 -21.9337 -21.9337 11.1858 11.1858 13.5036 13.5036 14.3694 14.3694 17.3311 17.3311 18.0413 18.0413 19.5409 19.5409 21.7385 21.7385 22.3556 22.3556 27.2435 27.2435 27.5157 27.5157 k = 0.2566 0.5000 0.2566 ( 1202 PWs) bands (ev): -65.6176 -65.6176 -34.0790 -34.0790 -22.0399 -22.0399 -21.9281 -21.9281 11.1494 11.1494 13.4485 13.4485 14.4402 14.4402 17.2998 17.2998 17.9994 17.9994 19.4357 19.4357 21.9063 21.9063 22.3812 22.3812 27.2331 27.2331 27.4943 27.4943 k = 0.2500 0.5000 0.2500 ( 1202 PWs) bands (ev): -65.6180 -65.6180 -34.0777 -34.0777 -22.0392 -22.0392 -21.9223 -21.9223 11.1147 11.1147 13.3863 13.3863 14.5127 14.5127 17.2675 17.2675 17.9723 17.9723 19.3315 19.3315 22.0378 22.0378 22.4449 22.4449 27.2156 27.2156 27.4745 27.4745 k = 0.2434 0.5000 0.2434 ( 1202 PWs) bands (ev): -65.6185 -65.6185 -34.0763 -34.0763 -22.0384 -22.0384 -21.9166 -21.9166 11.0820 11.0820 13.3178 13.3178 14.5866 14.5866 17.2320 17.2320 17.9613 17.9613 19.2285 19.2285 22.1142 22.1142 22.5653 22.5653 27.1933 27.1933 27.4568 27.4568 k = 0.2368 0.5000 0.2368 ( 1202 PWs) bands (ev): -65.6189 -65.6189 -34.0750 -34.0750 -22.0377 -22.0377 -21.9109 -21.9109 11.0510 11.0510 13.2439 13.2439 14.6618 14.6618 17.1921 17.1921 17.9668 17.9668 19.1271 19.1271 22.1470 22.1470 22.7307 22.7307 27.1673 27.1673 27.4416 27.4416 k = 0.2303 0.5000 0.2303 ( 1198 PWs) bands (ev): -65.6193 -65.6193 -34.0736 -34.0736 -22.0369 -22.0369 -21.9051 -21.9051 11.0218 11.0218 13.1653 13.1653 14.7383 14.7383 17.1476 17.1476 17.9880 17.9880 19.0275 19.0275 22.1582 22.1582 22.9189 22.9189 27.1381 27.1381 27.4293 27.4293 k = 0.2237 0.5000 0.2237 ( 1198 PWs) bands (ev): -65.6197 -65.6197 -34.0723 -34.0723 -22.0362 -22.0362 -21.8994 -21.8994 10.9944 10.9944 13.0830 13.0830 14.8158 14.8158 17.0990 17.0990 18.0230 18.0230 18.9300 18.9300 22.1597 22.1597 23.1181 23.1181 27.1059 27.1059 27.4200 27.4200 k = 0.2171 0.5000 0.2171 ( 1198 PWs) bands (ev): -65.6201 -65.6201 -34.0709 -34.0709 -22.0355 -22.0355 -21.8937 -21.8937 10.9687 10.9687 12.9977 12.9977 14.8942 14.8942 17.0472 17.0472 18.0694 18.0694 18.8352 18.8352 22.1565 22.1565 23.3230 23.3230 27.0708 27.0708 27.4139 27.4139 k = 0.2105 0.5000 0.2105 ( 1198 PWs) bands (ev): -65.6205 -65.6205 -34.0696 -34.0696 -22.0347 -22.0347 -21.8881 -21.8881 10.9446 10.9446 12.9102 12.9102 14.9735 14.9735 16.9935 16.9935 18.1245 18.1245 18.7441 18.7441 22.1508 22.1508 23.5314 23.5314 27.0331 27.0331 27.4113 27.4113 k = 0.2039 0.5000 0.2039 ( 1190 PWs) bands (ev): -65.6209 -65.6209 -34.0683 -34.0683 -22.0340 -22.0340 -21.8824 -21.8824 10.9223 10.9223 12.8211 12.8211 15.0535 15.0535 16.9388 16.9388 18.1844 18.1844 18.6590 18.6590 22.1438 22.1438 23.7420 23.7420 26.9928 26.9928 27.4124 27.4124 k = 0.1974 0.5000 0.1974 ( 1198 PWs) bands (ev): -65.6213 -65.6213 -34.0670 -34.0670 -22.0333 -22.0333 -21.8769 -21.8769 10.9015 10.9015 12.7311 12.7311 15.1340 15.1340 16.8836 16.8836 18.2412 18.2412 18.5858 18.5858 22.1360 22.1360 23.9540 23.9540 26.9501 26.9501 27.4168 27.4168 k = 0.1908 0.5000 0.1908 ( 1198 PWs) bands (ev): -65.6217 -65.6217 -34.0658 -34.0658 -22.0326 -22.0326 -21.8714 -21.8714 10.8824 10.8824 12.6408 12.6408 15.2149 15.2149 16.8288 16.8288 18.2773 18.2773 18.5415 18.5415 22.1279 22.1279 24.1670 24.1670 26.9049 26.9049 27.4251 27.4251 k = 0.1842 0.5000 0.1842 ( 1198 PWs) bands (ev): -65.6221 -65.6221 -34.0645 -34.0645 -22.0319 -22.0319 -21.8660 -21.8660 10.8647 10.8647 12.5506 12.5506 15.2960 15.2960 16.7747 16.7747 18.2650 18.2650 18.5524 18.5524 22.1197 22.1197 24.3806 24.3806 26.8575 26.8575 27.4371 27.4371 k = 0.1776 0.5000 0.1776 ( 1196 PWs) bands (ev): -65.6225 -65.6225 -34.0633 -34.0633 -22.0312 -22.0312 -21.8607 -21.8607 10.8485 10.8485 12.4611 12.4611 15.3771 15.3771 16.7218 16.7218 18.2114 18.2114 18.6106 18.6106 22.1116 22.1116 24.5945 24.5945 26.8079 26.8079 27.4532 27.4532 k = 0.1711 0.5000 0.1711 ( 1192 PWs) bands (ev): -65.6228 -65.6228 -34.0620 -34.0620 -22.0305 -22.0305 -21.8554 -21.8554 10.8337 10.8337 12.3725 12.3725 15.4580 15.4580 16.6704 16.6704 18.1416 18.1416 18.6902 18.6902 22.1036 22.1036 24.8083 24.8083 26.7563 26.7563 27.4732 27.4732 k = 0.1645 0.5000 0.1645 ( 1184 PWs) bands (ev): -65.6231 -65.6231 -34.0608 -34.0608 -22.0298 -22.0298 -21.8503 -21.8503 10.8203 10.8203 12.2853 12.2853 15.5384 15.5384 16.6208 16.6208 18.0670 18.0670 18.7789 18.7789 22.0959 22.0959 25.0220 25.0220 26.7026 26.7026 27.4976 27.4976 k = 0.1579 0.5000 0.1579 ( 1192 PWs) bands (ev): -65.6235 -65.6235 -34.0597 -34.0597 -22.0292 -22.0292 -21.8453 -21.8453 10.8082 10.8082 12.1997 12.1997 15.6179 15.6179 16.5730 16.5730 17.9916 17.9916 18.8721 18.8721 22.0885 22.0885 25.2350 25.2350 26.6470 26.6470 27.5261 27.5261 k = 0.1513 0.5000 0.1513 ( 1192 PWs) bands (ev): -65.6239 -65.6239 -34.0586 -34.0586 -22.0285 -22.0285 -21.8404 -21.8404 10.7973 10.7973 12.1162 12.1162 15.6963 15.6963 16.5276 16.5276 17.9170 17.9170 18.9675 18.9675 22.0816 22.0816 25.4471 25.4471 26.5899 26.5899 27.5591 27.5591 k = 0.1447 0.5000 0.1447 ( 1204 PWs) bands (ev): -65.6242 -65.6242 -34.0575 -34.0575 -22.0280 -22.0280 -21.8357 -21.8357 10.7876 10.7876 12.0348 12.0348 15.7729 15.7729 16.4849 16.4849 17.8442 17.8442 19.0638 19.0638 22.0748 22.0748 25.6578 25.6578 26.5315 26.5315 27.5966 27.5966 k = 0.1382 0.5000 0.1382 ( 1204 PWs) bands (ev): -65.6246 -65.6246 -34.0565 -34.0565 -22.0274 -22.0274 -21.8311 -21.8311 10.7790 10.7790 11.9559 11.9559 15.8471 15.8471 16.4456 16.4456 17.7735 17.7735 19.1601 19.1601 22.0689 22.0689 25.8662 25.8662 26.4728 26.4728 27.6387 27.6387 k = 0.1316 0.5000 0.1316 ( 1204 PWs) bands (ev): -65.6249 -65.6249 -34.0554 -34.0554 -22.0268 -22.0268 -21.8266 -21.8266 10.7715 10.7715 11.8796 11.8796 15.9176 15.9176 16.4104 16.4104 17.7053 17.7053 19.2556 19.2556 22.0635 22.0635 26.0692 26.0692 26.4168 26.4168 27.6855 27.6855 k = 0.1250 0.5000 0.1250 ( 1208 PWs) bands (ev): -65.6252 -65.6252 -34.0545 -34.0545 -22.0263 -22.0263 -21.8223 -21.8223 10.7650 10.7650 11.8062 11.8062 15.9827 15.9827 16.3812 16.3812 17.6399 17.6399 19.3494 19.3494 22.0586 22.0586 26.2411 26.2411 26.3891 26.3891 27.7370 27.7370 k = 0.1184 0.5000 0.1184 ( 1204 PWs) bands (ev): -65.6255 -65.6255 -34.0535 -34.0535 -22.0257 -22.0257 -21.8181 -21.8181 10.7593 10.7593 11.7358 11.7358 16.0388 16.0388 16.3611 16.3611 17.5775 17.5775 19.4414 19.4414 22.0543 22.0543 26.2536 26.2536 26.5179 26.5179 27.7934 27.7934 k = 0.1118 0.5000 0.1118 ( 1204 PWs) bands (ev): -65.6257 -65.6257 -34.0526 -34.0526 -22.0252 -22.0252 -21.8142 -21.8142 10.7546 10.7546 11.6684 11.6684 16.0806 16.0806 16.3551 16.3551 17.5181 17.5181 19.5308 19.5308 22.0507 22.0507 26.1992 26.1992 26.7108 26.7108 27.8544 27.8544 k = 0.1053 0.5000 0.1053 ( 1208 PWs) bands (ev): -65.6260 -65.6260 -34.0517 -34.0517 -22.0247 -22.0247 -21.8104 -21.8104 10.7506 10.7506 11.6043 11.6043 16.1027 16.1027 16.3682 16.3682 17.4621 17.4621 19.6171 19.6171 22.0476 22.0476 26.1377 26.1377 26.9077 26.9077 27.9202 27.9202 k = 0.0987 0.5000 0.0987 ( 1208 PWs) bands (ev): -65.6263 -65.6263 -34.0509 -34.0509 -22.0243 -22.0243 -21.8068 -21.8068 10.7473 10.7473 11.5436 11.5436 16.1058 16.1058 16.3997 16.3997 17.4097 17.4097 19.6999 19.6999 22.0452 22.0452 26.0748 26.0748 27.1027 27.1027 27.9907 27.9907 k = 0.0921 0.5000 0.0921 ( 1204 PWs) bands (ev): -65.6265 -65.6265 -34.0501 -34.0501 -22.0238 -22.0238 -21.8034 -21.8034 10.7446 10.7446 11.4864 11.4864 16.0963 16.0963 16.4424 16.4424 17.3612 17.3612 19.7788 19.7788 22.0434 22.0434 26.0121 26.0121 27.2939 27.2939 28.0660 28.0660 k = 0.0855 0.5000 0.0855 ( 1204 PWs) bands (ev): -65.6267 -65.6267 -34.0494 -34.0494 -22.0234 -22.0234 -21.8002 -21.8002 10.7426 10.7426 11.4326 11.4326 16.0806 16.0806 16.4897 16.4897 17.3166 17.3166 19.8535 19.8535 22.0421 22.0421 25.9504 25.9504 27.4797 27.4797 28.1463 28.1463 k = 0.0789 0.5000 0.0789 ( 1208 PWs) bands (ev): -65.6269 -65.6269 -34.0488 -34.0488 -22.0230 -22.0230 -21.7972 -21.7972 10.7410 10.7410 11.3825 11.3825 16.0623 16.0623 16.5373 16.5373 17.2765 17.2765 19.9235 19.9235 22.0413 22.0413 25.8903 25.8903 27.6582 27.6582 28.2323 28.2323 k = 0.0724 0.5000 0.0724 ( 1208 PWs) bands (ev): -65.6271 -65.6271 -34.0481 -34.0481 -22.0227 -22.0227 -21.7944 -21.7944 10.7399 10.7399 11.3362 11.3362 16.0435 16.0435 16.5827 16.5827 17.2410 17.2410 19.9887 19.9887 22.0409 22.0409 25.8325 25.8325 27.8266 27.8266 28.3250 28.3250 k = 0.0658 0.5000 0.0658 ( 1208 PWs) bands (ev): -65.6273 -65.6273 -34.0475 -34.0475 -22.0223 -22.0223 -21.7919 -21.7919 10.7392 10.7392 11.2936 11.2936 16.0251 16.0251 16.6244 16.6244 17.2106 17.2106 20.0488 20.0488 22.0410 22.0410 25.7774 25.7774 27.9813 27.9813 28.4263 28.4263 k = 0.0592 0.5000 0.0592 ( 1208 PWs) bands (ev): -65.6275 -65.6275 -34.0470 -34.0470 -22.0220 -22.0220 -21.7896 -21.7896 10.7388 10.7388 11.2548 11.2548 16.0079 16.0079 16.6612 16.6612 17.1855 17.1855 20.1036 20.1036 22.0414 22.0414 25.7257 25.7257 28.1182 28.1182 28.5384 28.5384 k = 0.0526 0.5000 0.0526 ( 1208 PWs) bands (ev): -65.6276 -65.6276 -34.0466 -34.0466 -22.0218 -22.0218 -21.7875 -21.7875 10.7387 10.7387 11.2199 11.2199 15.9920 15.9920 16.6923 16.6923 17.1660 17.1660 20.1530 20.1530 22.0421 22.0421 25.6778 25.6778 28.2345 28.2345 28.6619 28.6619 k = 0.0461 0.5000 0.0461 ( 1208 PWs) bands (ev): -65.6277 -65.6277 -34.0461 -34.0461 -22.0215 -22.0215 -21.7856 -21.7856 10.7388 10.7388 11.1889 11.1889 15.9777 15.9777 16.7174 16.7174 17.1520 17.1520 20.1967 20.1967 22.0430 22.0430 25.6342 25.6342 28.3299 28.3299 28.7945 28.7945 k = 0.0395 0.5000 0.0395 ( 1206 PWs) bands (ev): -65.6278 -65.6278 -34.0458 -34.0458 -22.0213 -22.0213 -21.7840 -21.7840 10.7390 10.7390 11.1620 11.1620 15.9651 15.9651 16.7365 16.7365 17.1433 17.1433 20.2349 20.2349 22.0439 22.0439 25.5954 25.5954 28.4068 28.4068 28.9314 28.9314 k = 0.0329 0.5000 0.0329 ( 1214 PWs) bands (ev): -65.6279 -65.6279 -34.0455 -34.0455 -22.0212 -22.0212 -21.7827 -21.7827 10.7393 10.7393 11.1390 11.1390 15.9543 15.9543 16.7501 16.7501 17.1388 17.1388 20.2672 20.2672 22.0449 22.0449 25.5618 25.5618 28.4676 28.4676 29.0668 29.0668 k = 0.0263 0.5000 0.0263 ( 1214 PWs) bands (ev): -65.6280 -65.6280 -34.0452 -34.0452 -22.0210 -22.0210 -21.7815 -21.7815 10.7397 10.7397 11.1202 11.1202 15.9455 15.9455 16.7591 16.7591 17.1376 17.1376 20.2937 20.2937 22.0458 22.0458 25.5339 25.5339 28.5147 28.5147 29.1944 29.1944 k = 0.0197 0.5000 0.0197 ( 1218 PWs) bands (ev): -65.6281 -65.6281 -34.0450 -34.0450 -22.0209 -22.0209 -21.7807 -21.7807 10.7400 10.7400 11.1055 11.1055 15.9385 15.9385 16.7646 16.7646 17.1383 17.1383 20.3143 20.3143 22.0466 22.0466 25.5118 25.5118 28.5497 28.5497 29.3052 29.3052 k = 0.0132 0.5000 0.0132 ( 1222 PWs) bands (ev): -65.6282 -65.6282 -34.0449 -34.0449 -22.0208 -22.0208 -21.7801 -21.7801 10.7403 10.7403 11.0950 11.0950 15.9335 15.9335 16.7677 16.7677 17.1397 17.1397 20.3289 20.3289 22.0471 22.0471 25.4958 25.4958 28.5738 28.5738 29.3867 29.3867 k = 0.0066 0.5000 0.0066 ( 1222 PWs) bands (ev): -65.6282 -65.6282 -34.0448 -34.0448 -22.0208 -22.0208 -21.7797 -21.7797 10.7405 10.7405 11.0887 11.0887 15.9305 15.9305 16.7692 16.7692 17.1410 17.1410 20.3378 20.3378 22.0475 22.0475 25.4861 25.4861 28.5878 28.5878 29.4305 29.4305 k = 0.0000 0.5000-0.0000 ( 1222 PWs) bands (ev): -65.6282 -65.6282 -34.0448 -34.0448 -22.0208 -22.0208 -21.7796 -21.7796 10.7405 10.7405 11.0865 11.0865 15.9295 15.9295 16.7696 16.7696 17.1415 17.1415 20.3407 20.3407 22.0477 22.0477 25.4829 25.4829 28.5925 28.5925 29.4431 29.4431 k = 0.5000 0.5000-0.0000 ( 1228 PWs) bands (ev): -65.6181 -65.6181 -34.0783 -34.0783 -22.0962 -22.0962 -21.8656 -21.8656 10.6069 10.6069 15.0403 15.0403 15.4635 15.4635 16.1546 16.1546 17.7893 17.7893 18.1069 18.1069 21.7799 21.7799 24.0315 24.0315 24.3300 24.3300 25.7989 25.7989 k = 0.5000 0.5000 0.0093 ( 1220 PWs) bands (ev): -65.6181 -65.6181 -34.0783 -34.0783 -22.0962 -22.0962 -21.8657 -21.8657 10.6081 10.6081 15.0433 15.0433 15.4585 15.4585 16.1469 16.1469 17.7954 17.7954 18.1157 18.1157 21.7799 21.7799 24.0318 24.0318 24.3105 24.3105 25.8138 25.8138 k = 0.5000 0.5000 0.0185 ( 1220 PWs) bands (ev): -65.6180 -65.6180 -34.0784 -34.0784 -22.0961 -22.0961 -21.8662 -21.8662 10.6118 10.6118 15.0522 15.0522 15.4434 15.4434 16.1241 16.1241 17.8133 17.8133 18.1413 18.1413 21.7799 21.7799 24.0323 24.0323 24.2541 24.2541 25.8563 25.8563 k = 0.5000 0.5000 0.0278 ( 1220 PWs) bands (ev): -65.6180 -65.6180 -34.0785 -34.0785 -22.0959 -22.0959 -21.8670 -21.8670 10.6180 10.6180 15.0669 15.0669 15.4189 15.4189 16.0874 16.0874 17.8426 17.8426 18.1826 18.1826 21.7798 21.7798 24.0331 24.0331 24.1668 24.1668 25.9205 25.9205 k = 0.5000 0.5000 0.0370 ( 1220 PWs) bands (ev): -65.6179 -65.6179 -34.0787 -34.0787 -22.0957 -22.0957 -21.8682 -21.8682 10.6265 10.6265 15.0873 15.0873 15.3858 15.3858 16.0384 16.0384 17.8825 17.8825 18.2381 18.2381 21.7795 21.7795 24.0343 24.0343 24.0553 24.0553 25.9998 25.9998 k = 0.5000 0.5000 0.0463 ( 1204 PWs) bands (ev): -65.6178 -65.6178 -34.0789 -34.0789 -22.0953 -22.0953 -21.8696 -21.8696 10.6376 10.6376 15.1134 15.1134 15.3452 15.3452 15.9792 15.9792 17.9323 17.9323 18.3059 18.3059 21.7795 21.7795 23.9258 23.9258 24.0358 24.0358 26.0885 26.0885 k = 0.5000 0.5000 0.0556 ( 1204 PWs) bands (ev): -65.6177 -65.6177 -34.0792 -34.0792 -22.0949 -22.0949 -21.8714 -21.8714 10.6511 10.6511 15.1438 15.1438 15.2991 15.2991 15.9114 15.9114 17.9907 17.9907 18.3840 18.3840 21.7789 21.7789 23.7828 23.7828 24.0375 24.0375 26.1821 26.1821 k = 0.5000 0.5000 0.0648 ( 1204 PWs) bands (ev): -65.6176 -65.6176 -34.0796 -34.0796 -22.0945 -22.0945 -21.8735 -21.8735 10.6670 10.6670 15.1732 15.1732 15.2540 15.2540 15.8368 15.8368 18.0570 18.0570 18.4708 18.4708 21.7780 21.7780 23.6297 23.6297 24.0395 24.0395 26.2774 26.2774 k = 0.5000 0.5000 0.0741 ( 1204 PWs) bands (ev): -65.6175 -65.6175 -34.0799 -34.0799 -22.0940 -22.0940 -21.8759 -21.8759 10.6853 10.6853 15.1626 15.1626 15.2497 15.2497 15.7568 15.7568 18.1301 18.1301 18.5647 18.5647 21.7766 21.7766 23.4694 23.4694 24.0417 24.0417 26.3724 26.3724 k = 0.5000 0.5000 0.0833 ( 1212 PWs) bands (ev): -65.6174 -65.6174 -34.0804 -34.0804 -22.0935 -22.0935 -21.8786 -21.8786 10.7060 10.7060 15.1076 15.1076 15.2914 15.2914 15.6729 15.6729 18.2091 18.2091 18.6645 18.6645 21.7743 21.7743 23.3037 23.3037 24.0440 24.0440 26.4655 26.4655 k = 0.5000 0.5000 0.0926 ( 1204 PWs) bands (ev): -65.6172 -65.6172 -34.0809 -34.0809 -22.0929 -22.0929 -21.8815 -21.8815 10.7292 10.7292 15.0428 15.0428 15.3455 15.3455 15.5859 15.5859 18.2934 18.2934 18.7693 18.7693 21.7710 21.7710 23.1346 23.1346 24.0469 24.0469 26.5557 26.5557 k = 0.5000 0.5000 0.1019 ( 1204 PWs) bands (ev): -65.6170 -65.6170 -34.0814 -34.0814 -22.0922 -22.0922 -21.8848 -21.8848 10.7547 10.7547 14.9740 14.9740 15.4068 15.4068 15.4967 15.4967 18.3821 18.3821 18.8780 18.8780 21.7660 21.7660 22.9636 22.9636 24.0496 24.0496 26.6424 26.6424 k = 0.5000 0.5000 0.1111 ( 1204 PWs) bands (ev): -65.6169 -65.6169 -34.0820 -34.0820 -22.0915 -22.0915 -21.8883 -21.8883 10.7826 10.7826 14.9027 14.9027 15.4061 15.4061 15.4742 15.4742 18.4746 18.4746 18.9900 18.9900 21.7583 21.7583 22.7925 22.7925 24.0525 24.0525 26.7253 26.7253 k = 0.5000 0.5000 0.1204 ( 1204 PWs) bands (ev): -65.6167 -65.6167 -34.0826 -34.0826 -22.0907 -22.0907 -21.8921 -21.8921 10.8128 10.8128 14.8297 14.8297 15.3146 15.3146 15.5476 15.5476 18.5705 18.5705 19.1047 19.1047 21.7462 21.7462 22.6238 22.6238 24.0554 24.0554 26.8040 26.8040 k = 0.5000 0.5000 0.1296 ( 1204 PWs) bands (ev): -65.6165 -65.6165 -34.0832 -34.0832 -22.0899 -22.0899 -21.8961 -21.8961 10.8454 10.8454 14.7554 14.7554 15.2227 15.2227 15.6268 15.6268 18.6692 18.6692 19.2215 19.2215 21.7268 21.7268 22.4609 22.4609 24.0582 24.0582 26.8785 26.8785 k = 0.5000 0.5000 0.1389 ( 1196 PWs) bands (ev): -65.6162 -65.6162 -34.0839 -34.0839 -22.0890 -22.0890 -21.9002 -21.9002 10.8803 10.8803 14.6805 14.6805 15.1308 15.1308 15.7116 15.7116 18.7704 18.7704 19.3401 19.3401 21.6946 21.6946 22.3100 22.3100 24.0611 24.0611 26.9488 26.9488 k = 0.5000 0.5000 0.1481 ( 1196 PWs) bands (ev): -65.6160 -65.6160 -34.0846 -34.0846 -22.0881 -22.0881 -21.9047 -21.9047 10.9175 10.9175 14.6052 14.6052 15.0392 15.0392 15.8020 15.8020 18.8736 18.8736 19.4600 19.4600 21.6408 21.6408 22.1801 22.1801 24.0637 24.0637 27.0151 27.0151 k = 0.5000 0.5000 0.1574 ( 1196 PWs) bands (ev): -65.6157 -65.6157 -34.0854 -34.0854 -22.0872 -22.0872 -21.9093 -21.9093 10.9569 10.9569 14.5299 14.5299 14.9482 14.9482 15.8978 15.8978 18.9786 18.9786 19.5809 19.5809 21.5557 21.5557 22.0815 22.0815 24.0661 24.0661 27.0773 27.0773 k = 0.5000 0.5000 0.1667 ( 1196 PWs) bands (ev): -65.6155 -65.6155 -34.0862 -34.0862 -22.0862 -22.0862 -21.9141 -21.9141 10.9986 10.9986 14.4548 14.4548 14.8581 14.8581 15.9991 15.9991 19.0851 19.0851 19.7023 19.7023 21.4372 21.4372 22.0168 22.0168 24.0683 24.0683 27.1358 27.1358 k = 0.5000 0.5000 0.1759 ( 1196 PWs) bands (ev): -65.6152 -65.6152 -34.0870 -34.0870 -22.0852 -22.0852 -21.9190 -21.9190 11.0425 11.0425 14.3802 14.3802 14.7690 14.7690 16.1057 16.1057 19.1930 19.1930 19.8238 19.8238 21.2936 21.2936 21.9780 21.9780 24.0700 24.0700 27.1906 27.1906 k = 0.5000 0.5000 0.1852 ( 1196 PWs) bands (ev): -65.6150 -65.6150 -34.0878 -34.0878 -22.0841 -22.0841 -21.9241 -21.9241 11.0885 11.0885 14.3063 14.3063 14.6812 14.6812 16.2174 16.2174 19.3018 19.3018 19.9448 19.9448 21.1353 21.1353 21.9556 21.9556 24.0714 24.0714 27.2420 27.2420 k = 0.5000 0.5000 0.1944 ( 1196 PWs) bands (ev): -65.6147 -65.6147 -34.0887 -34.0887 -22.0830 -22.0830 -21.9293 -21.9293 11.1366 11.1366 14.2332 14.2332 14.5948 14.5948 16.3343 16.3343 19.4115 19.4115 20.0640 20.0640 20.9705 20.9705 21.9427 21.9427 24.0721 24.0721 27.2901 27.2901 k = 0.5000 0.5000 0.2037 ( 1204 PWs) bands (ev): -65.6145 -65.6145 -34.0895 -34.0895 -22.0820 -22.0820 -21.9347 -21.9347 11.1868 11.1868 14.1612 14.1612 14.5099 14.5099 16.4562 16.4562 19.5218 19.5218 20.1782 20.1782 20.8060 20.8060 21.9354 21.9354 24.0721 24.0721 27.3352 27.3352 k = 0.5000 0.5000 0.2130 ( 1204 PWs) bands (ev): -65.6142 -65.6142 -34.0904 -34.0904 -22.0809 -22.0809 -21.9400 -21.9400 11.2391 11.2391 14.0904 14.0904 14.4268 14.4268 16.5830 16.5830 19.6327 19.6327 20.2760 20.2760 20.6554 20.6554 21.9320 21.9320 24.0714 24.0714 27.3775 27.3775 k = 0.5000 0.5000 0.2222 ( 1204 PWs) bands (ev): -65.6139 -65.6139 -34.0913 -34.0913 -22.0797 -22.0797 -21.9455 -21.9455 11.2933 11.2933 14.0209 14.0209 14.3454 14.3454 16.7145 16.7145 19.7439 19.7439 20.3015 20.3015 20.5760 20.5760 21.9311 21.9311 24.0698 24.0698 27.4171 27.4171 k = 0.5000 0.5000 0.2315 ( 1204 PWs) bands (ev): -65.6136 -65.6136 -34.0923 -34.0923 -22.0786 -22.0786 -21.9510 -21.9510 11.3494 11.3494 13.9528 13.9528 14.2660 14.2660 16.8507 16.8507 19.8552 19.8552 20.1942 20.1942 20.6287 20.6287 21.9321 21.9321 24.0671 24.0671 27.4541 27.4541 k = 0.5000 0.5000 0.2407 ( 1204 PWs) bands (ev): -65.6133 -65.6133 -34.0932 -34.0932 -22.0774 -22.0774 -21.9566 -21.9566 11.4074 11.4074 13.8863 13.8863 14.1885 14.1885 16.9915 16.9915 19.9666 19.9666 20.0368 20.0368 20.7314 20.7314 21.9345 21.9345 24.0633 24.0633 27.4888 27.4888 k = 0.5000 0.5000 0.2500 ( 1208 PWs) bands (ev): -65.6130 -65.6130 -34.0941 -34.0941 -22.0763 -22.0763 -21.9621 -21.9621 11.4670 11.4670 13.8214 13.8214 14.1132 14.1132 17.1365 17.1365 19.8688 19.8688 20.0779 20.0779 20.8446 20.8446 21.9384 21.9384 24.0582 24.0582 27.5212 27.5212 k = 0.5000 0.5000 0.2593 ( 1204 PWs) bands (ev): -65.6127 -65.6127 -34.0950 -34.0950 -22.0751 -22.0751 -21.9676 -21.9676 11.5284 11.5284 13.7583 13.7583 14.0400 14.0400 17.2858 17.2858 19.6983 19.6983 20.1888 20.1888 20.9605 20.9605 21.9435 21.9435 24.0517 24.0517 27.5515 27.5515 k = 0.5000 0.5000 0.2685 ( 1204 PWs) bands (ev): -65.6124 -65.6124 -34.0959 -34.0959 -22.0740 -22.0740 -21.9732 -21.9732 11.5914 11.5914 13.6970 13.6970 13.9692 13.9692 17.4391 17.4391 19.5279 19.5279 20.2993 20.2993 21.0762 21.0762 21.9501 21.9501 24.0435 24.0435 27.5799 27.5799 k = 0.5000 0.5000 0.2778 ( 1204 PWs) bands (ev): -65.6122 -65.6122 -34.0969 -34.0969 -22.0728 -22.0728 -21.9786 -21.9786 11.6558 11.6558 13.6376 13.6376 13.9006 13.9006 17.5963 17.5963 19.3586 19.3586 20.4092 20.4092 21.1906 21.1906 21.9584 21.9584 24.0334 24.0334 27.6063 27.6063 k = 0.5000 0.5000 0.2870 ( 1204 PWs) bands (ev): -65.6119 -65.6119 -34.0978 -34.0978 -22.0717 -22.0717 -21.9840 -21.9840 11.7216 11.7216 13.5801 13.5801 13.8345 13.8345 17.7571 17.7571 19.1911 19.1911 20.5183 20.5183 21.3023 21.3023 21.9690 21.9690 24.0213 24.0213 27.6310 27.6310 k = 0.5000 0.5000 0.2963 ( 1204 PWs) bands (ev): -65.6116 -65.6116 -34.0987 -34.0987 -22.0706 -22.0706 -21.9894 -21.9894 11.7887 11.7887 13.5247 13.5247 13.7708 13.7708 17.9213 17.9213 19.0258 19.0258 20.6264 20.6264 21.4100 21.4100 21.9829 21.9829 24.0070 24.0070 27.6538 27.6538 k = 0.5000 0.5000 0.3056 ( 1204 PWs) bands (ev): -65.6113 -65.6113 -34.0995 -34.0995 -22.0695 -22.0695 -21.9946 -21.9946 11.8567 11.8567 13.4714 13.4714 13.7097 13.7097 18.0888 18.0888 18.8630 18.8630 20.7332 20.7332 21.5118 21.5118 22.0015 22.0015 23.9903 23.9903 27.6750 27.6750 k = 0.5000 0.5000 0.3148 ( 1204 PWs) bands (ev): -65.6110 -65.6110 -34.1004 -34.1004 -22.0684 -22.0684 -21.9997 -21.9997 11.9257 11.9257 13.4202 13.4202 13.6511 13.6511 18.2591 18.2591 18.7032 18.7032 20.8386 20.8386 21.6049 21.6049 22.0275 22.0275 23.9710 23.9710 27.6945 27.6945 k = 0.5000 0.5000 0.3241 ( 1204 PWs) bands (ev): -65.6108 -65.6108 -34.1012 -34.1012 -22.0673 -22.0673 -22.0047 -22.0047 11.9953 11.9953 13.3712 13.3712 13.5952 13.5952 18.4321 18.4321 18.5465 18.5465 20.9423 20.9423 21.6853 21.6853 22.0643 22.0643 23.9489 23.9489 27.7123 27.7123 k = 0.5000 0.5000 0.3333 ( 1188 PWs) bands (ev): -65.6105 -65.6105 -34.1020 -34.1020 -22.0662 -22.0662 -22.0094 -22.0094 12.0655 12.0655 13.3245 13.3245 13.5422 13.5422 18.3934 18.3934 18.6075 18.6075 21.0440 21.0440 21.7498 21.7498 22.1153 22.1153 23.9238 23.9238 27.7286 27.7286 k = 0.5000 0.5000 0.3426 ( 1196 PWs) bands (ev): -65.6103 -65.6103 -34.1028 -34.1028 -22.0653 -22.0653 -22.0141 -22.0141 12.1358 12.1358 13.2801 13.2801 13.4917 13.4917 18.2441 18.2441 18.7847 18.7847 21.1433 21.1433 21.7971 21.7971 22.1807 22.1807 23.8955 23.8955 27.7430 27.7430 k = 0.5000 0.5000 0.3519 ( 1196 PWs) bands (ev): -65.6100 -65.6100 -34.1036 -34.1036 -22.0644 -22.0644 -22.0186 -22.0186 12.2061 12.2061 13.2379 13.2379 13.4442 13.4442 18.0989 18.0989 18.9636 18.9636 21.2400 21.2400 21.8303 21.8303 22.2577 22.2577 23.8639 23.8639 27.7558 27.7558 k = 0.5000 0.5000 0.3611 ( 1196 PWs) bands (ev): -65.6098 -65.6098 -34.1043 -34.1043 -22.0634 -22.0634 -22.0229 -22.0229 12.2760 12.2760 13.1982 13.1982 13.3995 13.3995 17.9582 17.9582 19.1436 19.1436 21.3336 21.3336 21.8535 21.8535 22.3417 22.3417 23.8288 23.8288 27.7669 27.7669 k = 0.5000 0.5000 0.3704 ( 1192 PWs) bands (ev): -65.6096 -65.6096 -34.1050 -34.1050 -22.0626 -22.0626 -22.0270 -22.0270 12.3451 12.3451 13.1609 13.1609 13.3579 13.3579 17.8225 17.8225 19.3243 19.3243 21.4235 21.4235 21.8702 21.8702 22.4287 22.4287 23.7902 23.7902 27.7761 27.7761 k = 0.5000 0.5000 0.3796 ( 1192 PWs) bands (ev): -65.6094 -65.6094 -34.1057 -34.1057 -22.0617 -22.0617 -22.0308 -22.0308 12.4129 12.4129 13.1260 13.1260 13.3192 13.3192 17.6921 17.6921 19.5051 19.5051 21.5093 21.5093 21.8827 21.8827 22.5162 22.5162 23.7479 23.7479 27.7833 27.7833 k = 0.5000 0.5000 0.3889 ( 1200 PWs) bands (ev): -65.6092 -65.6092 -34.1063 -34.1063 -22.0610 -22.0610 -22.0345 -22.0345 12.4791 12.4791 13.0935 13.0935 13.2837 13.2837 17.5675 17.5675 19.6853 19.6853 21.5903 21.5903 21.8922 21.8922 22.6022 22.6022 23.7021 23.7021 27.7884 27.7884 k = 0.5000 0.5000 0.3981 ( 1192 PWs) bands (ev): -65.6090 -65.6090 -34.1068 -34.1068 -22.0603 -22.0603 -22.0378 -22.0378 12.5429 12.5429 13.0636 13.0636 13.2515 13.2515 17.4493 17.4493 19.8644 19.8644 21.6657 21.6657 21.8999 21.8999 22.6855 22.6855 23.6532 23.6532 27.7914 27.7914 k = 0.5000 0.5000 0.4074 ( 1192 PWs) bands (ev): -65.6088 -65.6088 -34.1074 -34.1074 -22.0596 -22.0596 -22.0409 -22.0409 12.6039 12.6039 13.0362 13.0362 13.2227 13.2227 17.3379 17.3379 20.0414 20.0414 21.7347 21.7347 21.9061 21.9061 22.7649 22.7649 23.6012 23.6012 27.7921 27.7921 k = 0.5000 0.5000 0.4167 ( 1192 PWs) bands (ev): -65.6087 -65.6087 -34.1079 -34.1079 -22.0590 -22.0590 -22.0437 -22.0437 12.6611 12.6611 13.0113 13.0113 13.1975 13.1975 17.2340 17.2340 20.2154 20.2154 21.7963 21.7963 21.9113 21.9113 22.8396 22.8396 23.5472 23.5472 27.7903 27.7903 k = 0.5000 0.5000 0.4259 ( 1204 PWs) bands (ev): -65.6086 -65.6086 -34.1083 -34.1083 -22.0585 -22.0585 -22.0464 -22.0464 12.7139 12.7139 12.9889 12.9889 13.1759 13.1759 17.1383 17.1383 20.3850 20.3850 21.8494 21.8494 21.9156 21.9156 22.9089 22.9089 23.4914 23.4914 27.7863 27.7863 k = 0.5000 0.5000 0.4352 ( 1204 PWs) bands (ev): -65.6084 -65.6084 -34.1087 -34.1087 -22.0580 -22.0580 -22.0487 -22.0487 12.7613 12.7613 12.9692 12.9692 13.1585 13.1585 17.0515 17.0515 20.5491 20.5491 21.8928 21.8928 21.9192 21.9192 22.9721 22.9721 23.4355 23.4355 27.7800 27.7800 k = 0.5000 0.5000 0.4444 ( 1208 PWs) bands (ev): -65.6083 -65.6083 -34.1091 -34.1091 -22.0576 -22.0576 -22.0507 -22.0507 12.8024 12.8024 12.9520 12.9520 13.1453 13.1453 16.9742 16.9742 20.7056 20.7056 21.9221 21.9221 21.9253 21.9253 23.0284 23.0284 23.3809 23.3809 27.7721 27.7721 k = 0.5000 0.5000 0.4537 ( 1208 PWs) bands (ev): -65.6082 -65.6082 -34.1094 -34.1094 -22.0572 -22.0572 -22.0525 -22.0525 12.8365 12.8365 12.9375 12.9375 13.1364 13.1364 16.9072 16.9072 20.8525 20.8525 21.9246 21.9246 21.9463 21.9463 23.0773 23.0773 23.3296 23.3296 27.7630 27.7630 k = 0.5000 0.5000 0.4630 ( 1208 PWs) bands (ev): -65.6082 -65.6082 -34.1096 -34.1096 -22.0569 -22.0569 -22.0539 -22.0539 12.8631 12.8631 12.9256 12.9256 13.1314 13.1314 16.8512 16.8512 20.9865 20.9865 21.9265 21.9265 21.9553 21.9553 23.1182 23.1182 23.2838 23.2838 27.7536 27.7536 k = 0.5000 0.5000 0.4722 ( 1208 PWs) bands (ev): -65.6081 -65.6081 -34.1098 -34.1098 -22.0567 -22.0567 -22.0550 -22.0550 12.8824 12.8824 12.9163 12.9163 13.1298 13.1298 16.8069 16.8069 21.1033 21.1033 21.9280 21.9280 21.9537 21.9537 23.1505 23.1505 23.2456 23.2456 27.7449 27.7449 k = 0.5000 0.5000 0.4815 ( 1208 PWs) bands (ev): -65.6081 -65.6081 -34.1100 -34.1100 -22.0565 -22.0565 -22.0557 -22.0557 12.8951 12.8951 12.9097 12.9097 13.1301 13.1301 16.7748 16.7748 21.1966 21.1966 21.9290 21.9290 21.9447 21.9447 23.1739 23.1739 23.2168 23.2168 27.7379 27.7379 k = 0.5000 0.5000 0.4907 ( 1208 PWs) bands (ev): -65.6080 -65.6080 -34.1100 -34.1100 -22.0564 -22.0564 -22.0562 -22.0562 12.9022 12.9022 12.9058 12.9058 13.1311 13.1311 16.7554 16.7554 21.2583 21.2583 21.9297 21.9297 21.9344 21.9344 23.1881 23.1881 23.1989 23.1989 27.7333 27.7333 k = 0.5000 0.5000 0.5000 ( 1208 PWs) bands (ev): -65.6080 -65.6080 -34.1101 -34.1101 -22.0564 -22.0564 -22.0564 -22.0564 12.9044 12.9044 12.9044 12.9044 13.1315 13.1315 16.7489 16.7489 21.2802 21.2802 21.9299 21.9299 21.9299 21.9299 23.1929 23.1929 23.1929 23.1929 27.7317 27.7317 Writing output data file SiOs.save init_run : 0.20s CPU 0.32s WALL ( 1 calls) electrons : 33.76s CPU 34.74s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.00s CPU 0.02s WALL ( 1 calls) Called by electrons: c_bands : 33.74s CPU 34.73s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.02s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.02s WALL ( 412 calls) cegterg : 30.70s CPU 31.30s WALL ( 439 calls) Called by sum_band: Called by *egterg: h_psi : 13.56s CPU 14.03s WALL ( 5311 calls) s_psi : 0.75s CPU 0.76s WALL ( 5311 calls) g_psi : 0.02s CPU 0.03s WALL ( 4460 calls) cdiaghg : 15.93s CPU 16.40s WALL ( 4872 calls) cegterg:over : 0.98s CPU 0.95s WALL ( 4460 calls) cegterg:upda : 0.73s CPU 0.64s WALL ( 4460 calls) cegterg:last : 0.30s CPU 0.32s WALL ( 944 calls) cdiaghg:chol : 0.64s CPU 0.81s WALL ( 4872 calls) cdiaghg:inve : 0.42s CPU 0.39s WALL ( 4872 calls) cdiaghg:para : 1.07s CPU 0.97s WALL ( 9744 calls) Called by h_psi: h_psi:vloc : 11.87s CPU 12.29s WALL ( 5311 calls) h_psi:vnl : 1.67s CPU 1.72s WALL ( 5311 calls) add_vuspsi : 0.98s CPU 1.03s WALL ( 5311 calls) General routines calbec : 0.67s CPU 0.68s WALL ( 5311 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 11.32s CPU 11.73s WALL ( 359860 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.06s CPU 0.13s WALL ( 824 calls) Parallel routines fft_scatter : 6.16s CPU 6.42s WALL ( 359883 calls) PWSCF : 41.51s CPU 55.68s WALL This run was terminated on: 21: 4: 7 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=