Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 13:55:31 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: ./BaCd.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized file Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4D 4D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 89 21 6 3805 429 76 Max 90 22 7 3809 451 79 Sum 3205 761 241 137059 15895 2777 bravais-lattice index = 14 lattice parameter (alat) = 7.9501 a.u. unit-cell volume = 502.4745 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 22.00 number of Kohn-Sham states= 30 kinetic-energy cutoff = 38.0000 Ry charge density cutoff = 639.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.950077 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 Ba read from file: /users/gautes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Cd read from file: /users/gautes/Pseudo/Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1d41bce1441572f114805845d9d822b0 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1239 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 Ba 10.00 137.32700 Ba( 1.00) Cd 12.00 112.41100 Cd( 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= 291 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034364 k( 2) = ( 0.0000000 0.0131579 -0.0000000), wk = 0.0034364 k( 3) = ( 0.0000000 0.0263158 -0.0000000), wk = 0.0034364 k( 4) = ( 0.0000000 0.0394737 -0.0000000), wk = 0.0034364 k( 5) = ( 0.0000000 0.0526316 -0.0000000), wk = 0.0034364 k( 6) = ( 0.0000000 0.0657895 -0.0000000), wk = 0.0034364 k( 7) = ( 0.0000000 0.0789474 -0.0000000), wk = 0.0034364 k( 8) = ( 0.0000000 0.0921053 -0.0000000), wk = 0.0034364 k( 9) = ( 0.0000000 0.1052632 -0.0000000), wk = 0.0034364 k( 10) = ( 0.0000000 0.1184210 -0.0000000), wk = 0.0034364 k( 11) = ( 0.0000000 0.1315790 -0.0000000), wk = 0.0034364 k( 12) = ( 0.0000000 0.1447368 -0.0000000), wk = 0.0034364 k( 13) = ( 0.0000000 0.1578947 -0.0000000), wk = 0.0034364 k( 14) = ( 0.0000000 0.1710526 -0.0000000), wk = 0.0034364 k( 15) = ( 0.0000000 0.1842105 -0.0000000), wk = 0.0034364 k( 16) = ( 0.0000000 0.1973684 -0.0000000), wk = 0.0034364 k( 17) = ( 0.0000000 0.2105263 -0.0000000), wk = 0.0034364 k( 18) = ( 0.0000000 0.2236842 -0.0000000), wk = 0.0034364 k( 19) = ( 0.0000000 0.2368421 -0.0000000), wk = 0.0034364 k( 20) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0034364 k( 21) = ( 0.0000000 0.2631579 -0.0000000), wk = 0.0034364 k( 22) = ( 0.0000000 0.2763158 -0.0000000), wk = 0.0034364 k( 23) = ( 0.0000000 0.2894737 -0.0000000), wk = 0.0034364 k( 24) = ( 0.0000000 0.3026316 -0.0000000), wk = 0.0034364 k( 25) = ( 0.0000000 0.3157895 -0.0000000), wk = 0.0034364 k( 26) = ( 0.0000000 0.3289474 -0.0000000), wk = 0.0034364 k( 27) = ( 0.0000000 0.3421053 -0.0000000), wk = 0.0034364 k( 28) = ( 0.0000000 0.3552632 -0.0000000), wk = 0.0034364 k( 29) = ( 0.0000000 0.3684211 -0.0000000), wk = 0.0034364 k( 30) = ( 0.0000000 0.3815789 -0.0000000), wk = 0.0034364 k( 31) = ( 0.0000000 0.3947368 -0.0000000), wk = 0.0034364 k( 32) = ( 0.0000000 0.4078947 -0.0000000), wk = 0.0034364 k( 33) = ( 0.0000000 0.4210526 -0.0000000), wk = 0.0034364 k( 34) = ( 0.0000000 0.4342105 -0.0000000), wk = 0.0034364 k( 35) = ( 0.0000000 0.4473684 -0.0000000), wk = 0.0034364 k( 36) = ( 0.0000000 0.4605263 -0.0000000), wk = 0.0034364 k( 37) = ( 0.0000000 0.4736842 -0.0000000), wk = 0.0034364 k( 38) = ( 0.0000000 0.4868421 -0.0000000), wk = 0.0034364 k( 39) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0034364 k( 40) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0034364 k( 41) = ( 0.0131579 0.5000000 -0.0000000), wk = 0.0034364 k( 42) = ( 0.0263158 0.5000000 -0.0000000), wk = 0.0034364 k( 43) = ( 0.0394737 0.5000000 -0.0000000), wk = 0.0034364 k( 44) = ( 0.0526316 0.5000000 -0.0000000), wk = 0.0034364 k( 45) = ( 0.0657895 0.5000000 -0.0000000), wk = 0.0034364 k( 46) = ( 0.0789474 0.5000000 -0.0000000), wk = 0.0034364 k( 47) = ( 0.0921053 0.5000000 -0.0000000), wk = 0.0034364 k( 48) = ( 0.1052632 0.5000000 -0.0000000), wk = 0.0034364 k( 49) = ( 0.1184210 0.5000000 -0.0000000), wk = 0.0034364 k( 50) = ( 0.1315790 0.5000000 -0.0000000), wk = 0.0034364 k( 51) = ( 0.1447368 0.5000000 -0.0000000), wk = 0.0034364 k( 52) = ( 0.1578947 0.5000000 -0.0000000), wk = 0.0034364 k( 53) = ( 0.1710526 0.5000000 -0.0000000), wk = 0.0034364 k( 54) = ( 0.1842105 0.5000000 -0.0000000), wk = 0.0034364 k( 55) = ( 0.1973684 0.5000000 -0.0000000), wk = 0.0034364 k( 56) = ( 0.2105263 0.5000000 -0.0000000), wk = 0.0034364 k( 57) = ( 0.2236842 0.5000000 -0.0000000), wk = 0.0034364 k( 58) = ( 0.2368421 0.5000000 -0.0000000), wk = 0.0034364 k( 59) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0034364 k( 60) = ( 0.2631579 0.5000000 -0.0000000), wk = 0.0034364 k( 61) = ( 0.2763158 0.5000000 -0.0000000), wk = 0.0034364 k( 62) = ( 0.2894737 0.5000000 -0.0000000), wk = 0.0034364 k( 63) = ( 0.3026316 0.5000000 -0.0000000), wk = 0.0034364 k( 64) = ( 0.3157895 0.5000000 -0.0000000), wk = 0.0034364 k( 65) = ( 0.3289474 0.5000000 -0.0000000), wk = 0.0034364 k( 66) = ( 0.3421053 0.5000000 -0.0000000), wk = 0.0034364 k( 67) = ( 0.3552632 0.5000000 -0.0000000), wk = 0.0034364 k( 68) = ( 0.3684211 0.5000000 -0.0000000), wk = 0.0034364 k( 69) = ( 0.3815789 0.5000000 -0.0000000), wk = 0.0034364 k( 70) = ( 0.3947368 0.5000000 -0.0000000), wk = 0.0034364 k( 71) = ( 0.4078947 0.5000000 -0.0000000), wk = 0.0034364 k( 72) = ( 0.4210526 0.5000000 -0.0000000), wk = 0.0034364 k( 73) = ( 0.4342105 0.5000000 -0.0000000), wk = 0.0034364 k( 74) = ( 0.4473684 0.5000000 -0.0000000), wk = 0.0034364 k( 75) = ( 0.4605263 0.5000000 -0.0000000), wk = 0.0034364 k( 76) = ( 0.4736842 0.5000000 -0.0000000), wk = 0.0034364 k( 77) = ( 0.4868421 0.5000000 -0.0000000), wk = 0.0034364 k( 78) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0034364 k( 79) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0034364 k( 80) = ( 0.4905660 0.4905660 -0.0000000), wk = 0.0034364 k( 81) = ( 0.4811321 0.4811321 -0.0000000), wk = 0.0034364 k( 82) = ( 0.4716981 0.4716981 -0.0000000), wk = 0.0034364 k( 83) = ( 0.4622641 0.4622641 -0.0000000), wk = 0.0034364 k( 84) = ( 0.4528302 0.4528302 -0.0000000), wk = 0.0034364 k( 85) = ( 0.4433962 0.4433962 -0.0000000), wk = 0.0034364 k( 86) = ( 0.4339623 0.4339623 -0.0000000), wk = 0.0034364 k( 87) = ( 0.4245283 0.4245283 -0.0000000), wk = 0.0034364 k( 88) = ( 0.4150943 0.4150943 -0.0000000), wk = 0.0034364 k( 89) = ( 0.4056604 0.4056604 -0.0000000), wk = 0.0034364 k( 90) = ( 0.3962264 0.3962264 -0.0000000), wk = 0.0034364 k( 91) = ( 0.3867925 0.3867924 -0.0000000), wk = 0.0034364 k( 92) = ( 0.3773585 0.3773585 -0.0000000), wk = 0.0034364 k( 93) = ( 0.3679245 0.3679245 -0.0000000), wk = 0.0034364 k( 94) = ( 0.3584906 0.3584906 -0.0000000), wk = 0.0034364 k( 95) = ( 0.3490566 0.3490566 -0.0000000), wk = 0.0034364 k( 96) = ( 0.3396226 0.3396226 -0.0000000), wk = 0.0034364 k( 97) = ( 0.3301887 0.3301887 -0.0000000), wk = 0.0034364 k( 98) = ( 0.3207547 0.3207547 -0.0000000), wk = 0.0034364 k( 99) = ( 0.3113207 0.3113207 -0.0000000), wk = 0.0034364 k( 100) = ( 0.3018868 0.3018868 -0.0000000), wk = 0.0034364 k( 101) = ( 0.2924528 0.2924528 -0.0000000), wk = 0.0034364 k( 102) = ( 0.2830189 0.2830189 -0.0000000), wk = 0.0034364 k( 103) = ( 0.2735849 0.2735849 -0.0000000), wk = 0.0034364 k( 104) = ( 0.2641509 0.2641509 -0.0000000), wk = 0.0034364 k( 105) = ( 0.2547170 0.2547170 -0.0000000), wk = 0.0034364 k( 106) = ( 0.2452830 0.2452830 -0.0000000), wk = 0.0034364 k( 107) = ( 0.2358491 0.2358491 -0.0000000), wk = 0.0034364 k( 108) = ( 0.2264151 0.2264151 -0.0000000), wk = 0.0034364 k( 109) = ( 0.2169811 0.2169811 -0.0000000), wk = 0.0034364 k( 110) = ( 0.2075472 0.2075472 -0.0000000), wk = 0.0034364 k( 111) = ( 0.1981132 0.1981132 -0.0000000), wk = 0.0034364 k( 112) = ( 0.1886792 0.1886792 -0.0000000), wk = 0.0034364 k( 113) = ( 0.1792453 0.1792453 -0.0000000), wk = 0.0034364 k( 114) = ( 0.1698113 0.1698113 -0.0000000), wk = 0.0034364 k( 115) = ( 0.1603774 0.1603774 -0.0000000), wk = 0.0034364 k( 116) = ( 0.1509434 0.1509434 -0.0000000), wk = 0.0034364 k( 117) = ( 0.1415094 0.1415094 -0.0000000), wk = 0.0034364 k( 118) = ( 0.1320755 0.1320755 -0.0000000), wk = 0.0034364 k( 119) = ( 0.1226415 0.1226415 -0.0000000), wk = 0.0034364 k( 120) = ( 0.1132076 0.1132075 -0.0000000), wk = 0.0034364 k( 121) = ( 0.1037736 0.1037736 -0.0000000), wk = 0.0034364 k( 122) = ( 0.0943396 0.0943396 -0.0000000), wk = 0.0034364 k( 123) = ( 0.0849057 0.0849057 -0.0000000), wk = 0.0034364 k( 124) = ( 0.0754717 0.0754717 -0.0000000), wk = 0.0034364 k( 125) = ( 0.0660377 0.0660377 -0.0000000), wk = 0.0034364 k( 126) = ( 0.0566038 0.0566038 -0.0000000), wk = 0.0034364 k( 127) = ( 0.0471698 0.0471698 -0.0000000), wk = 0.0034364 k( 128) = ( 0.0377359 0.0377358 -0.0000000), wk = 0.0034364 k( 129) = ( 0.0283019 0.0283019 -0.0000000), wk = 0.0034364 k( 130) = ( 0.0188679 0.0188679 -0.0000000), wk = 0.0034364 k( 131) = ( 0.0094340 0.0094340 -0.0000000), wk = 0.0034364 k( 132) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034364 k( 133) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034364 k( 134) = ( 0.0076923 0.0076923 0.0076923), wk = 0.0034364 k( 135) = ( 0.0153846 0.0153846 0.0153846), wk = 0.0034364 k( 136) = ( 0.0230769 0.0230769 0.0230769), wk = 0.0034364 k( 137) = ( 0.0307692 0.0307692 0.0307692), wk = 0.0034364 k( 138) = ( 0.0384615 0.0384615 0.0384615), wk = 0.0034364 k( 139) = ( 0.0461539 0.0461538 0.0461538), wk = 0.0034364 k( 140) = ( 0.0538462 0.0538461 0.0538461), wk = 0.0034364 k( 141) = ( 0.0615385 0.0615385 0.0615385), wk = 0.0034364 k( 142) = ( 0.0692308 0.0692308 0.0692308), wk = 0.0034364 k( 143) = ( 0.0769231 0.0769231 0.0769231), wk = 0.0034364 k( 144) = ( 0.0846154 0.0846154 0.0846154), wk = 0.0034364 k( 145) = ( 0.0923077 0.0923077 0.0923077), wk = 0.0034364 k( 146) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0034364 k( 147) = ( 0.1076923 0.1076923 0.1076923), wk = 0.0034364 k( 148) = ( 0.1153846 0.1153846 0.1153846), wk = 0.0034364 k( 149) = ( 0.1230769 0.1230769 0.1230769), wk = 0.0034364 k( 150) = ( 0.1307692 0.1307692 0.1307692), wk = 0.0034364 k( 151) = ( 0.1384615 0.1384615 0.1384615), wk = 0.0034364 k( 152) = ( 0.1461539 0.1461538 0.1461538), wk = 0.0034364 k( 153) = ( 0.1538461 0.1538461 0.1538461), wk = 0.0034364 k( 154) = ( 0.1615385 0.1615385 0.1615385), wk = 0.0034364 k( 155) = ( 0.1692308 0.1692308 0.1692308), wk = 0.0034364 k( 156) = ( 0.1769231 0.1769231 0.1769231), wk = 0.0034364 k( 157) = ( 0.1846154 0.1846154 0.1846154), wk = 0.0034364 k( 158) = ( 0.1923077 0.1923077 0.1923077), wk = 0.0034364 k( 159) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0034364 k( 160) = ( 0.2076923 0.2076923 0.2076923), wk = 0.0034364 k( 161) = ( 0.2153846 0.2153846 0.2153846), wk = 0.0034364 k( 162) = ( 0.2230769 0.2230769 0.2230769), wk = 0.0034364 k( 163) = ( 0.2307692 0.2307692 0.2307692), wk = 0.0034364 k( 164) = ( 0.2384615 0.2384615 0.2384615), wk = 0.0034364 k( 165) = ( 0.2461539 0.2461538 0.2461538), wk = 0.0034364 k( 166) = ( 0.2538461 0.2538461 0.2538461), wk = 0.0034364 k( 167) = ( 0.2615385 0.2615385 0.2615385), wk = 0.0034364 k( 168) = ( 0.2692308 0.2692308 0.2692308), wk = 0.0034364 k( 169) = ( 0.2769231 0.2769231 0.2769231), wk = 0.0034364 k( 170) = ( 0.2846154 0.2846154 0.2846154), wk = 0.0034364 k( 171) = ( 0.2923077 0.2923077 0.2923077), wk = 0.0034364 k( 172) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0034364 k( 173) = ( 0.3076923 0.3076923 0.3076923), wk = 0.0034364 k( 174) = ( 0.3153846 0.3153846 0.3153846), wk = 0.0034364 k( 175) = ( 0.3230769 0.3230769 0.3230769), wk = 0.0034364 k( 176) = ( 0.3307692 0.3307692 0.3307692), wk = 0.0034364 k( 177) = ( 0.3384615 0.3384615 0.3384615), wk = 0.0034364 k( 178) = ( 0.3461538 0.3461538 0.3461538), wk = 0.0034364 k( 179) = ( 0.3538462 0.3538461 0.3538461), wk = 0.0034364 k( 180) = ( 0.3615385 0.3615385 0.3615385), wk = 0.0034364 k( 181) = ( 0.3692308 0.3692308 0.3692308), wk = 0.0034364 k( 182) = ( 0.3769231 0.3769231 0.3769231), wk = 0.0034364 k( 183) = ( 0.3846154 0.3846154 0.3846154), wk = 0.0034364 k( 184) = ( 0.3923077 0.3923077 0.3923077), wk = 0.0034364 k( 185) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0034364 k( 186) = ( 0.4076923 0.4076923 0.4076923), wk = 0.0034364 k( 187) = ( 0.4153846 0.4153846 0.4153846), wk = 0.0034364 k( 188) = ( 0.4230769 0.4230769 0.4230769), wk = 0.0034364 k( 189) = ( 0.4307692 0.4307692 0.4307692), wk = 0.0034364 k( 190) = ( 0.4384615 0.4384615 0.4384615), wk = 0.0034364 k( 191) = ( 0.4461539 0.4461538 0.4461538), wk = 0.0034364 k( 192) = ( 0.4538462 0.4538461 0.4538461), wk = 0.0034364 k( 193) = ( 0.4615385 0.4615385 0.4615385), wk = 0.0034364 k( 194) = ( 0.4692308 0.4692308 0.4692308), wk = 0.0034364 k( 195) = ( 0.4769231 0.4769231 0.4769231), wk = 0.0034364 k( 196) = ( 0.4846154 0.4846154 0.4846154), wk = 0.0034364 k( 197) = ( 0.4923077 0.4923077 0.4923077), wk = 0.0034364 k( 198) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034364 k( 199) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034364 k( 200) = ( 0.4905660 0.5000000 0.4905660), wk = 0.0034364 k( 201) = ( 0.4811321 0.5000000 0.4811321), wk = 0.0034364 k( 202) = ( 0.4716981 0.5000000 0.4716981), wk = 0.0034364 k( 203) = ( 0.4622641 0.5000000 0.4622641), wk = 0.0034364 k( 204) = ( 0.4528302 0.5000000 0.4528302), wk = 0.0034364 k( 205) = ( 0.4433962 0.5000000 0.4433962), wk = 0.0034364 k( 206) = ( 0.4339623 0.5000000 0.4339623), wk = 0.0034364 k( 207) = ( 0.4245283 0.5000000 0.4245283), wk = 0.0034364 k( 208) = ( 0.4150943 0.5000000 0.4150943), wk = 0.0034364 k( 209) = ( 0.4056604 0.5000000 0.4056604), wk = 0.0034364 k( 210) = ( 0.3962264 0.5000000 0.3962264), wk = 0.0034364 k( 211) = ( 0.3867925 0.5000000 0.3867924), wk = 0.0034364 k( 212) = ( 0.3773585 0.5000000 0.3773585), wk = 0.0034364 k( 213) = ( 0.3679245 0.5000000 0.3679245), wk = 0.0034364 k( 214) = ( 0.3584906 0.5000000 0.3584906), wk = 0.0034364 k( 215) = ( 0.3490566 0.5000000 0.3490566), wk = 0.0034364 k( 216) = ( 0.3396226 0.5000000 0.3396226), wk = 0.0034364 k( 217) = ( 0.3301887 0.5000000 0.3301887), wk = 0.0034364 k( 218) = ( 0.3207547 0.5000000 0.3207547), wk = 0.0034364 k( 219) = ( 0.3113207 0.5000000 0.3113207), wk = 0.0034364 k( 220) = ( 0.3018868 0.5000000 0.3018868), wk = 0.0034364 k( 221) = ( 0.2924528 0.5000000 0.2924528), wk = 0.0034364 k( 222) = ( 0.2830189 0.5000000 0.2830189), wk = 0.0034364 k( 223) = ( 0.2735849 0.5000000 0.2735849), wk = 0.0034364 k( 224) = ( 0.2641509 0.5000000 0.2641509), wk = 0.0034364 k( 225) = ( 0.2547170 0.5000000 0.2547170), wk = 0.0034364 k( 226) = ( 0.2452830 0.5000000 0.2452830), wk = 0.0034364 k( 227) = ( 0.2358491 0.5000000 0.2358491), wk = 0.0034364 k( 228) = ( 0.2264151 0.5000000 0.2264151), wk = 0.0034364 k( 229) = ( 0.2169811 0.5000000 0.2169811), wk = 0.0034364 k( 230) = ( 0.2075472 0.5000000 0.2075472), wk = 0.0034364 k( 231) = ( 0.1981132 0.5000000 0.1981132), wk = 0.0034364 k( 232) = ( 0.1886792 0.5000000 0.1886792), wk = 0.0034364 k( 233) = ( 0.1792453 0.5000000 0.1792453), wk = 0.0034364 k( 234) = ( 0.1698113 0.5000000 0.1698113), wk = 0.0034364 k( 235) = ( 0.1603774 0.5000000 0.1603774), wk = 0.0034364 k( 236) = ( 0.1509434 0.5000000 0.1509434), wk = 0.0034364 k( 237) = ( 0.1415094 0.5000000 0.1415094), wk = 0.0034364 k( 238) = ( 0.1320755 0.5000000 0.1320755), wk = 0.0034364 k( 239) = ( 0.1226415 0.5000000 0.1226415), wk = 0.0034364 k( 240) = ( 0.1132076 0.5000000 0.1132075), wk = 0.0034364 k( 241) = ( 0.1037736 0.5000000 0.1037736), wk = 0.0034364 k( 242) = ( 0.0943396 0.5000000 0.0943396), wk = 0.0034364 k( 243) = ( 0.0849057 0.5000000 0.0849057), wk = 0.0034364 k( 244) = ( 0.0754717 0.5000000 0.0754717), wk = 0.0034364 k( 245) = ( 0.0660377 0.5000000 0.0660377), wk = 0.0034364 k( 246) = ( 0.0566038 0.5000000 0.0566038), wk = 0.0034364 k( 247) = ( 0.0471698 0.5000000 0.0471698), wk = 0.0034364 k( 248) = ( 0.0377359 0.5000000 0.0377358), wk = 0.0034364 k( 249) = ( 0.0283019 0.5000000 0.0283019), wk = 0.0034364 k( 250) = ( 0.0188679 0.5000000 0.0188679), wk = 0.0034364 k( 251) = ( 0.0094340 0.5000000 0.0094340), wk = 0.0034364 k( 252) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0034364 k( 253) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0034364 k( 254) = ( 0.5000000 0.5000000 0.0131579), wk = 0.0034364 k( 255) = ( 0.5000000 0.5000000 0.0263158), wk = 0.0034364 k( 256) = ( 0.5000000 0.5000000 0.0394737), wk = 0.0034364 k( 257) = ( 0.5000000 0.5000000 0.0526316), wk = 0.0034364 k( 258) = ( 0.5000000 0.5000000 0.0657895), wk = 0.0034364 k( 259) = ( 0.5000000 0.5000000 0.0789474), wk = 0.0034364 k( 260) = ( 0.5000000 0.5000000 0.0921053), wk = 0.0034364 k( 261) = ( 0.5000000 0.5000000 0.1052632), wk = 0.0034364 k( 262) = ( 0.5000000 0.5000000 0.1184210), wk = 0.0034364 k( 263) = ( 0.5000000 0.5000000 0.1315789), wk = 0.0034364 k( 264) = ( 0.5000000 0.5000000 0.1447368), wk = 0.0034364 k( 265) = ( 0.5000000 0.5000000 0.1578947), wk = 0.0034364 k( 266) = ( 0.5000000 0.5000000 0.1710526), wk = 0.0034364 k( 267) = ( 0.5000000 0.5000000 0.1842105), wk = 0.0034364 k( 268) = ( 0.5000000 0.5000000 0.1973684), wk = 0.0034364 k( 269) = ( 0.5000000 0.5000000 0.2105263), wk = 0.0034364 k( 270) = ( 0.5000000 0.5000000 0.2236842), wk = 0.0034364 k( 271) = ( 0.5000000 0.5000000 0.2368421), wk = 0.0034364 k( 272) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0034364 k( 273) = ( 0.5000000 0.5000000 0.2631579), wk = 0.0034364 k( 274) = ( 0.5000000 0.5000000 0.2763158), wk = 0.0034364 k( 275) = ( 0.5000000 0.5000000 0.2894737), wk = 0.0034364 k( 276) = ( 0.5000000 0.5000000 0.3026316), wk = 0.0034364 k( 277) = ( 0.5000000 0.5000000 0.3157895), wk = 0.0034364 k( 278) = ( 0.5000000 0.5000000 0.3289474), wk = 0.0034364 k( 279) = ( 0.5000000 0.5000000 0.3421053), wk = 0.0034364 k( 280) = ( 0.5000000 0.5000000 0.3552632), wk = 0.0034364 k( 281) = ( 0.5000000 0.5000000 0.3684210), wk = 0.0034364 k( 282) = ( 0.5000000 0.5000000 0.3815789), wk = 0.0034364 k( 283) = ( 0.5000000 0.5000000 0.3947368), wk = 0.0034364 k( 284) = ( 0.5000000 0.5000000 0.4078947), wk = 0.0034364 k( 285) = ( 0.5000000 0.5000000 0.4210526), wk = 0.0034364 k( 286) = ( 0.5000000 0.5000000 0.4342105), wk = 0.0034364 k( 287) = ( 0.5000000 0.5000000 0.4473684), wk = 0.0034364 k( 288) = ( 0.5000000 0.5000000 0.4605263), wk = 0.0034364 k( 289) = ( 0.5000000 0.5000000 0.4736842), wk = 0.0034364 k( 290) = ( 0.5000000 0.5000000 0.4868421), wk = 0.0034364 k( 291) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034364 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034364 k( 2) = ( 0.0000000 0.0131579 0.0000000), wk = 0.0034364 k( 3) = ( 0.0000000 0.0263158 0.0000000), wk = 0.0034364 k( 4) = ( 0.0000000 0.0394737 0.0000000), wk = 0.0034364 k( 5) = ( 0.0000000 0.0526316 0.0000000), wk = 0.0034364 k( 6) = ( 0.0000000 0.0657895 0.0000000), wk = 0.0034364 k( 7) = ( 0.0000000 0.0789474 0.0000000), wk = 0.0034364 k( 8) = ( 0.0000000 0.0921053 0.0000000), wk = 0.0034364 k( 9) = ( 0.0000000 0.1052632 0.0000000), wk = 0.0034364 k( 10) = ( 0.0000000 0.1184210 0.0000000), wk = 0.0034364 k( 11) = ( 0.0000000 0.1315790 0.0000000), wk = 0.0034364 k( 12) = ( 0.0000000 0.1447368 0.0000000), wk = 0.0034364 k( 13) = ( 0.0000000 0.1578947 0.0000000), wk = 0.0034364 k( 14) = ( 0.0000000 0.1710526 0.0000000), wk = 0.0034364 k( 15) = ( 0.0000000 0.1842105 0.0000000), wk = 0.0034364 k( 16) = ( 0.0000000 0.1973684 0.0000000), wk = 0.0034364 k( 17) = ( 0.0000000 0.2105263 0.0000000), wk = 0.0034364 k( 18) = ( 0.0000000 0.2236842 0.0000000), wk = 0.0034364 k( 19) = ( 0.0000000 0.2368421 0.0000000), wk = 0.0034364 k( 20) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0034364 k( 21) = ( 0.0000000 0.2631579 0.0000000), wk = 0.0034364 k( 22) = ( 0.0000000 0.2763158 0.0000000), wk = 0.0034364 k( 23) = ( 0.0000000 0.2894737 0.0000000), wk = 0.0034364 k( 24) = ( 0.0000000 0.3026316 0.0000000), wk = 0.0034364 k( 25) = ( 0.0000000 0.3157895 0.0000000), wk = 0.0034364 k( 26) = ( 0.0000000 0.3289474 0.0000000), wk = 0.0034364 k( 27) = ( 0.0000000 0.3421053 0.0000000), wk = 0.0034364 k( 28) = ( 0.0000000 0.3552632 0.0000000), wk = 0.0034364 k( 29) = ( 0.0000000 0.3684211 0.0000000), wk = 0.0034364 k( 30) = ( 0.0000000 0.3815789 0.0000000), wk = 0.0034364 k( 31) = ( 0.0000000 0.3947368 0.0000000), wk = 0.0034364 k( 32) = ( 0.0000000 0.4078947 0.0000000), wk = 0.0034364 k( 33) = ( 0.0000000 0.4210526 0.0000000), wk = 0.0034364 k( 34) = ( 0.0000000 0.4342105 0.0000000), wk = 0.0034364 k( 35) = ( 0.0000000 0.4473684 0.0000000), wk = 0.0034364 k( 36) = ( 0.0000000 0.4605263 0.0000000), wk = 0.0034364 k( 37) = ( 0.0000000 0.4736842 0.0000000), wk = 0.0034364 k( 38) = ( 0.0000000 0.4868421 0.0000000), wk = 0.0034364 k( 39) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0034364 k( 40) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0034364 k( 41) = ( 0.0131579 0.5000000 0.0000000), wk = 0.0034364 k( 42) = ( 0.0263158 0.5000000 0.0000000), wk = 0.0034364 k( 43) = ( 0.0394737 0.5000000 0.0000000), wk = 0.0034364 k( 44) = ( 0.0526316 0.5000000 0.0000000), wk = 0.0034364 k( 45) = ( 0.0657895 0.5000000 0.0000000), wk = 0.0034364 k( 46) = ( 0.0789474 0.5000000 0.0000000), wk = 0.0034364 k( 47) = ( 0.0921053 0.5000000 0.0000000), wk = 0.0034364 k( 48) = ( 0.1052632 0.5000000 0.0000000), wk = 0.0034364 k( 49) = ( 0.1184210 0.5000000 0.0000000), wk = 0.0034364 k( 50) = ( 0.1315790 0.5000000 0.0000000), wk = 0.0034364 k( 51) = ( 0.1447368 0.5000000 0.0000000), wk = 0.0034364 k( 52) = ( 0.1578947 0.5000000 0.0000000), wk = 0.0034364 k( 53) = ( 0.1710526 0.5000000 0.0000000), wk = 0.0034364 k( 54) = ( 0.1842105 0.5000000 0.0000000), wk = 0.0034364 k( 55) = ( 0.1973684 0.5000000 0.0000000), wk = 0.0034364 k( 56) = ( 0.2105263 0.5000000 0.0000000), wk = 0.0034364 k( 57) = ( 0.2236842 0.5000000 0.0000000), wk = 0.0034364 k( 58) = ( 0.2368421 0.5000000 0.0000000), wk = 0.0034364 k( 59) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0034364 k( 60) = ( 0.2631579 0.5000000 0.0000000), wk = 0.0034364 k( 61) = ( 0.2763158 0.5000000 0.0000000), wk = 0.0034364 k( 62) = ( 0.2894737 0.5000000 0.0000000), wk = 0.0034364 k( 63) = ( 0.3026316 0.5000000 0.0000000), wk = 0.0034364 k( 64) = ( 0.3157895 0.5000000 0.0000000), wk = 0.0034364 k( 65) = ( 0.3289474 0.5000000 0.0000000), wk = 0.0034364 k( 66) = ( 0.3421053 0.5000000 0.0000000), wk = 0.0034364 k( 67) = ( 0.3552632 0.5000000 0.0000000), wk = 0.0034364 k( 68) = ( 0.3684211 0.5000000 0.0000000), wk = 0.0034364 k( 69) = ( 0.3815789 0.5000000 0.0000000), wk = 0.0034364 k( 70) = ( 0.3947368 0.5000000 0.0000000), wk = 0.0034364 k( 71) = ( 0.4078947 0.5000000 0.0000000), wk = 0.0034364 k( 72) = ( 0.4210526 0.5000000 0.0000000), wk = 0.0034364 k( 73) = ( 0.4342105 0.5000000 -0.0000000), wk = 0.0034364 k( 74) = ( 0.4473684 0.5000000 0.0000000), wk = 0.0034364 k( 75) = ( 0.4605263 0.5000000 0.0000000), wk = 0.0034364 k( 76) = ( 0.4736842 0.5000000 0.0000000), wk = 0.0034364 k( 77) = ( 0.4868421 0.5000000 0.0000000), wk = 0.0034364 k( 78) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0034364 k( 79) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0034364 k( 80) = ( 0.4905660 0.4905660 0.0000000), wk = 0.0034364 k( 81) = ( 0.4811321 0.4811321 0.0000000), wk = 0.0034364 k( 82) = ( 0.4716981 0.4716981 0.0000000), wk = 0.0034364 k( 83) = ( 0.4622641 0.4622641 0.0000000), wk = 0.0034364 k( 84) = ( 0.4528302 0.4528302 0.0000000), wk = 0.0034364 k( 85) = ( 0.4433962 0.4433962 0.0000000), wk = 0.0034364 k( 86) = ( 0.4339623 0.4339623 0.0000000), wk = 0.0034364 k( 87) = ( 0.4245283 0.4245283 0.0000000), wk = 0.0034364 k( 88) = ( 0.4150943 0.4150943 0.0000000), wk = 0.0034364 k( 89) = ( 0.4056604 0.4056604 0.0000000), wk = 0.0034364 k( 90) = ( 0.3962264 0.3962264 0.0000000), wk = 0.0034364 k( 91) = ( 0.3867925 0.3867925 0.0000000), wk = 0.0034364 k( 92) = ( 0.3773585 0.3773585 0.0000000), wk = 0.0034364 k( 93) = ( 0.3679245 0.3679245 0.0000000), wk = 0.0034364 k( 94) = ( 0.3584906 0.3584906 0.0000000), wk = 0.0034364 k( 95) = ( 0.3490566 0.3490566 0.0000000), wk = 0.0034364 k( 96) = ( 0.3396226 0.3396226 0.0000000), wk = 0.0034364 k( 97) = ( 0.3301887 0.3301887 0.0000000), wk = 0.0034364 k( 98) = ( 0.3207547 0.3207547 0.0000000), wk = 0.0034364 k( 99) = ( 0.3113207 0.3113207 0.0000000), wk = 0.0034364 k( 100) = ( 0.3018868 0.3018868 0.0000000), wk = 0.0034364 k( 101) = ( 0.2924528 0.2924528 0.0000000), wk = 0.0034364 k( 102) = ( 0.2830189 0.2830189 0.0000000), wk = 0.0034364 k( 103) = ( 0.2735849 0.2735849 0.0000000), wk = 0.0034364 k( 104) = ( 0.2641509 0.2641509 0.0000000), wk = 0.0034364 k( 105) = ( 0.2547170 0.2547170 0.0000000), wk = 0.0034364 k( 106) = ( 0.2452830 0.2452830 0.0000000), wk = 0.0034364 k( 107) = ( 0.2358491 0.2358491 0.0000000), wk = 0.0034364 k( 108) = ( 0.2264151 0.2264151 0.0000000), wk = 0.0034364 k( 109) = ( 0.2169811 0.2169811 0.0000000), wk = 0.0034364 k( 110) = ( 0.2075472 0.2075472 0.0000000), wk = 0.0034364 k( 111) = ( 0.1981132 0.1981132 0.0000000), wk = 0.0034364 k( 112) = ( 0.1886792 0.1886792 0.0000000), wk = 0.0034364 k( 113) = ( 0.1792453 0.1792453 0.0000000), wk = 0.0034364 k( 114) = ( 0.1698113 0.1698113 0.0000000), wk = 0.0034364 k( 115) = ( 0.1603774 0.1603774 0.0000000), wk = 0.0034364 k( 116) = ( 0.1509434 0.1509434 0.0000000), wk = 0.0034364 k( 117) = ( 0.1415094 0.1415094 0.0000000), wk = 0.0034364 k( 118) = ( 0.1320755 0.1320755 0.0000000), wk = 0.0034364 k( 119) = ( 0.1226415 0.1226415 0.0000000), wk = 0.0034364 k( 120) = ( 0.1132076 0.1132076 0.0000000), wk = 0.0034364 k( 121) = ( 0.1037736 0.1037736 0.0000000), wk = 0.0034364 k( 122) = ( 0.0943396 0.0943396 0.0000000), wk = 0.0034364 k( 123) = ( 0.0849057 0.0849057 0.0000000), wk = 0.0034364 k( 124) = ( 0.0754717 0.0754717 0.0000000), wk = 0.0034364 k( 125) = ( 0.0660377 0.0660377 0.0000000), wk = 0.0034364 k( 126) = ( 0.0566038 0.0566038 0.0000000), wk = 0.0034364 k( 127) = ( 0.0471698 0.0471698 0.0000000), wk = 0.0034364 k( 128) = ( 0.0377359 0.0377359 0.0000000), wk = 0.0034364 k( 129) = ( 0.0283019 0.0283019 0.0000000), wk = 0.0034364 k( 130) = ( 0.0188679 0.0188679 0.0000000), wk = 0.0034364 k( 131) = ( 0.0094340 0.0094340 0.0000000), wk = 0.0034364 k( 132) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034364 k( 133) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034364 k( 134) = ( 0.0076923 0.0076923 0.0076923), wk = 0.0034364 k( 135) = ( 0.0153846 0.0153846 0.0153846), wk = 0.0034364 k( 136) = ( 0.0230769 0.0230769 0.0230769), wk = 0.0034364 k( 137) = ( 0.0307692 0.0307692 0.0307692), wk = 0.0034364 k( 138) = ( 0.0384615 0.0384615 0.0384615), wk = 0.0034364 k( 139) = ( 0.0461539 0.0461539 0.0461539), wk = 0.0034364 k( 140) = ( 0.0538462 0.0538462 0.0538462), wk = 0.0034364 k( 141) = ( 0.0615385 0.0615385 0.0615385), wk = 0.0034364 k( 142) = ( 0.0692308 0.0692308 0.0692308), wk = 0.0034364 k( 143) = ( 0.0769231 0.0769231 0.0769231), wk = 0.0034364 k( 144) = ( 0.0846154 0.0846154 0.0846154), wk = 0.0034364 k( 145) = ( 0.0923077 0.0923077 0.0923077), wk = 0.0034364 k( 146) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0034364 k( 147) = ( 0.1076923 0.1076923 0.1076923), wk = 0.0034364 k( 148) = ( 0.1153846 0.1153846 0.1153846), wk = 0.0034364 k( 149) = ( 0.1230769 0.1230769 0.1230769), wk = 0.0034364 k( 150) = ( 0.1307692 0.1307692 0.1307692), wk = 0.0034364 k( 151) = ( 0.1384615 0.1384615 0.1384615), wk = 0.0034364 k( 152) = ( 0.1461539 0.1461539 0.1461539), wk = 0.0034364 k( 153) = ( 0.1538461 0.1538461 0.1538461), wk = 0.0034364 k( 154) = ( 0.1615385 0.1615385 0.1615385), wk = 0.0034364 k( 155) = ( 0.1692308 0.1692308 0.1692308), wk = 0.0034364 k( 156) = ( 0.1769231 0.1769231 0.1769231), wk = 0.0034364 k( 157) = ( 0.1846154 0.1846154 0.1846154), wk = 0.0034364 k( 158) = ( 0.1923077 0.1923077 0.1923077), wk = 0.0034364 k( 159) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0034364 k( 160) = ( 0.2076923 0.2076923 0.2076923), wk = 0.0034364 k( 161) = ( 0.2153846 0.2153846 0.2153846), wk = 0.0034364 k( 162) = ( 0.2230769 0.2230769 0.2230769), wk = 0.0034364 k( 163) = ( 0.2307692 0.2307692 0.2307692), wk = 0.0034364 k( 164) = ( 0.2384615 0.2384615 0.2384615), wk = 0.0034364 k( 165) = ( 0.2461539 0.2461539 0.2461539), wk = 0.0034364 k( 166) = ( 0.2538461 0.2538461 0.2538461), wk = 0.0034364 k( 167) = ( 0.2615385 0.2615385 0.2615385), wk = 0.0034364 k( 168) = ( 0.2692308 0.2692308 0.2692308), wk = 0.0034364 k( 169) = ( 0.2769231 0.2769231 0.2769231), wk = 0.0034364 k( 170) = ( 0.2846154 0.2846154 0.2846154), wk = 0.0034364 k( 171) = ( 0.2923077 0.2923077 0.2923077), wk = 0.0034364 k( 172) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0034364 k( 173) = ( 0.3076923 0.3076923 0.3076923), wk = 0.0034364 k( 174) = ( 0.3153846 0.3153846 0.3153846), wk = 0.0034364 k( 175) = ( 0.3230769 0.3230769 0.3230769), wk = 0.0034364 k( 176) = ( 0.3307692 0.3307692 0.3307692), wk = 0.0034364 k( 177) = ( 0.3384615 0.3384615 0.3384615), wk = 0.0034364 k( 178) = ( 0.3461538 0.3461538 0.3461538), wk = 0.0034364 k( 179) = ( 0.3538462 0.3538462 0.3538462), wk = 0.0034364 k( 180) = ( 0.3615385 0.3615385 0.3615385), wk = 0.0034364 k( 181) = ( 0.3692308 0.3692308 0.3692308), wk = 0.0034364 k( 182) = ( 0.3769231 0.3769231 0.3769231), wk = 0.0034364 k( 183) = ( 0.3846154 0.3846154 0.3846154), wk = 0.0034364 k( 184) = ( 0.3923077 0.3923077 0.3923077), wk = 0.0034364 k( 185) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0034364 k( 186) = ( 0.4076923 0.4076923 0.4076923), wk = 0.0034364 k( 187) = ( 0.4153846 0.4153846 0.4153846), wk = 0.0034364 k( 188) = ( 0.4230769 0.4230769 0.4230769), wk = 0.0034364 k( 189) = ( 0.4307692 0.4307692 0.4307692), wk = 0.0034364 k( 190) = ( 0.4384615 0.4384615 0.4384615), wk = 0.0034364 k( 191) = ( 0.4461539 0.4461539 0.4461539), wk = 0.0034364 k( 192) = ( 0.4538462 0.4538462 0.4538462), wk = 0.0034364 k( 193) = ( 0.4615385 0.4615385 0.4615385), wk = 0.0034364 k( 194) = ( 0.4692308 0.4692308 0.4692308), wk = 0.0034364 k( 195) = ( 0.4769231 0.4769231 0.4769231), wk = 0.0034364 k( 196) = ( 0.4846154 0.4846154 0.4846154), wk = 0.0034364 k( 197) = ( 0.4923077 0.4923077 0.4923077), wk = 0.0034364 k( 198) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034364 k( 199) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034364 k( 200) = ( 0.4905660 0.5000000 0.4905660), wk = 0.0034364 k( 201) = ( 0.4811321 0.5000000 0.4811321), wk = 0.0034364 k( 202) = ( 0.4716981 0.5000000 0.4716981), wk = 0.0034364 k( 203) = ( 0.4622641 0.5000000 0.4622641), wk = 0.0034364 k( 204) = ( 0.4528302 0.5000000 0.4528302), wk = 0.0034364 k( 205) = ( 0.4433962 0.5000000 0.4433962), wk = 0.0034364 k( 206) = ( 0.4339623 0.5000000 0.4339623), wk = 0.0034364 k( 207) = ( 0.4245283 0.5000000 0.4245283), wk = 0.0034364 k( 208) = ( 0.4150943 0.5000000 0.4150943), wk = 0.0034364 k( 209) = ( 0.4056604 0.5000000 0.4056604), wk = 0.0034364 k( 210) = ( 0.3962264 0.5000000 0.3962264), wk = 0.0034364 k( 211) = ( 0.3867925 0.5000000 0.3867925), wk = 0.0034364 k( 212) = ( 0.3773585 0.5000000 0.3773585), wk = 0.0034364 k( 213) = ( 0.3679245 0.5000000 0.3679245), wk = 0.0034364 k( 214) = ( 0.3584906 0.5000000 0.3584906), wk = 0.0034364 k( 215) = ( 0.3490566 0.5000000 0.3490566), wk = 0.0034364 k( 216) = ( 0.3396226 0.5000000 0.3396226), wk = 0.0034364 k( 217) = ( 0.3301887 0.5000000 0.3301887), wk = 0.0034364 k( 218) = ( 0.3207547 0.5000000 0.3207547), wk = 0.0034364 k( 219) = ( 0.3113207 0.5000000 0.3113207), wk = 0.0034364 k( 220) = ( 0.3018868 0.5000000 0.3018868), wk = 0.0034364 k( 221) = ( 0.2924528 0.5000000 0.2924528), wk = 0.0034364 k( 222) = ( 0.2830189 0.5000000 0.2830189), wk = 0.0034364 k( 223) = ( 0.2735849 0.5000000 0.2735849), wk = 0.0034364 k( 224) = ( 0.2641509 0.5000000 0.2641509), wk = 0.0034364 k( 225) = ( 0.2547170 0.5000000 0.2547170), wk = 0.0034364 k( 226) = ( 0.2452830 0.5000000 0.2452830), wk = 0.0034364 k( 227) = ( 0.2358491 0.5000000 0.2358491), wk = 0.0034364 k( 228) = ( 0.2264151 0.5000000 0.2264151), wk = 0.0034364 k( 229) = ( 0.2169811 0.5000000 0.2169811), wk = 0.0034364 k( 230) = ( 0.2075472 0.5000000 0.2075472), wk = 0.0034364 k( 231) = ( 0.1981132 0.5000000 0.1981132), wk = 0.0034364 k( 232) = ( 0.1886792 0.5000000 0.1886792), wk = 0.0034364 k( 233) = ( 0.1792453 0.5000000 0.1792453), wk = 0.0034364 k( 234) = ( 0.1698113 0.5000000 0.1698113), wk = 0.0034364 k( 235) = ( 0.1603774 0.5000000 0.1603774), wk = 0.0034364 k( 236) = ( 0.1509434 0.5000000 0.1509434), wk = 0.0034364 k( 237) = ( 0.1415094 0.5000000 0.1415094), wk = 0.0034364 k( 238) = ( 0.1320755 0.5000000 0.1320755), wk = 0.0034364 k( 239) = ( 0.1226415 0.5000000 0.1226415), wk = 0.0034364 k( 240) = ( 0.1132076 0.5000000 0.1132076), wk = 0.0034364 k( 241) = ( 0.1037736 0.5000000 0.1037736), wk = 0.0034364 k( 242) = ( 0.0943396 0.5000000 0.0943396), wk = 0.0034364 k( 243) = ( 0.0849057 0.5000000 0.0849057), wk = 0.0034364 k( 244) = ( 0.0754717 0.5000000 0.0754717), wk = 0.0034364 k( 245) = ( 0.0660377 0.5000000 0.0660377), wk = 0.0034364 k( 246) = ( 0.0566038 0.5000000 0.0566038), wk = 0.0034364 k( 247) = ( 0.0471698 0.5000000 0.0471698), wk = 0.0034364 k( 248) = ( 0.0377359 0.5000000 0.0377359), wk = 0.0034364 k( 249) = ( 0.0283019 0.5000000 0.0283019), wk = 0.0034364 k( 250) = ( 0.0188679 0.5000000 0.0188679), wk = 0.0034364 k( 251) = ( 0.0094340 0.5000000 0.0094340), wk = 0.0034364 k( 252) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0034364 k( 253) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0034364 k( 254) = ( 0.5000000 0.5000000 0.0131579), wk = 0.0034364 k( 255) = ( 0.5000000 0.5000000 0.0263158), wk = 0.0034364 k( 256) = ( 0.5000000 0.5000000 0.0394737), wk = 0.0034364 k( 257) = ( 0.5000000 0.5000000 0.0526316), wk = 0.0034364 k( 258) = ( 0.5000000 0.5000000 0.0657895), wk = 0.0034364 k( 259) = ( 0.5000000 0.5000000 0.0789474), wk = 0.0034364 k( 260) = ( 0.5000000 0.5000000 0.0921053), wk = 0.0034364 k( 261) = ( 0.5000000 0.5000000 0.1052632), wk = 0.0034364 k( 262) = ( 0.5000000 0.5000000 0.1184210), wk = 0.0034364 k( 263) = ( 0.5000000 0.5000000 0.1315790), wk = 0.0034364 k( 264) = ( 0.5000000 0.5000000 0.1447368), wk = 0.0034364 k( 265) = ( 0.5000000 0.5000000 0.1578947), wk = 0.0034364 k( 266) = ( 0.5000000 0.5000000 0.1710526), wk = 0.0034364 k( 267) = ( 0.5000000 0.5000000 0.1842105), wk = 0.0034364 k( 268) = ( 0.5000000 0.5000000 0.1973684), wk = 0.0034364 k( 269) = ( 0.5000000 0.5000000 0.2105263), wk = 0.0034364 k( 270) = ( 0.5000000 0.5000000 0.2236842), wk = 0.0034364 k( 271) = ( 0.5000000 0.5000000 0.2368421), wk = 0.0034364 k( 272) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0034364 k( 273) = ( 0.5000000 0.5000000 0.2631579), wk = 0.0034364 k( 274) = ( 0.5000000 0.5000000 0.2763158), wk = 0.0034364 k( 275) = ( 0.5000000 0.5000000 0.2894737), wk = 0.0034364 k( 276) = ( 0.5000000 0.5000000 0.3026316), wk = 0.0034364 k( 277) = ( 0.5000000 0.5000000 0.3157895), wk = 0.0034364 k( 278) = ( 0.5000000 0.5000000 0.3289474), wk = 0.0034364 k( 279) = ( 0.5000000 0.5000000 0.3421053), wk = 0.0034364 k( 280) = ( 0.5000000 0.5000000 0.3552632), wk = 0.0034364 k( 281) = ( 0.5000000 0.5000000 0.3684211), wk = 0.0034364 k( 282) = ( 0.5000000 0.5000000 0.3815789), wk = 0.0034364 k( 283) = ( 0.5000000 0.5000000 0.3947368), wk = 0.0034364 k( 284) = ( 0.5000000 0.5000000 0.4078947), wk = 0.0034364 k( 285) = ( 0.5000000 0.5000000 0.4210526), wk = 0.0034364 k( 286) = ( 0.5000000 0.5000000 0.4342105), wk = 0.0034364 k( 287) = ( 0.5000000 0.5000000 0.4473684), wk = 0.0034364 k( 288) = ( 0.5000000 0.5000000 0.4605263), wk = 0.0034364 k( 289) = ( 0.5000000 0.5000000 0.4736842), wk = 0.0034364 k( 290) = ( 0.5000000 0.5000000 0.4868421), wk = 0.0034364 k( 291) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034364 Dense grid: 137059 G-vectors FFT dimensions: ( 64, 64, 64) Smooth grid: 15895 G-vectors FFT dimensions: ( 32, 32, 32) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.05 Mb ( 120, 30) NL pseudopotentials 0.06 Mb ( 60, 69) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.03 Mb ( 3809) G-vector shells 0.01 Mb ( 701) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.22 Mb ( 120, 120) Each subspace H/S matrix 0.01 Mb ( 30, 30) Each matrix 0.06 Mb ( 69, 2, 30) The potential is recalculated from file : ./BaCd.save/charge-density.dat Starting wfc are 28 randomized atomic wfcs + 2 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.3 secs Computing kpt #: 2 total cpu time spent up to now is 2.5 secs Computing kpt #: 3 total cpu time spent up to now is 2.6 secs Computing kpt #: 4 total cpu time spent up to now is 2.7 secs Computing kpt #: 5 total cpu time spent up to now is 2.9 secs Computing kpt #: 6 total cpu time spent up to now is 3.0 secs Computing kpt #: 7 total cpu time spent up to now is 3.1 secs Computing kpt #: 8 total cpu time spent up to now is 3.3 secs Computing kpt #: 9 total cpu time spent up to now is 3.4 secs Computing kpt #: 10 total cpu time spent up to now is 3.5 secs Computing kpt #: 11 total cpu time spent up to now is 3.7 secs Computing kpt #: 12 total cpu time spent up to now is 3.8 secs Computing kpt #: 13 total cpu time spent up to now is 3.9 secs Computing kpt #: 14 total cpu time spent up to now is 4.1 secs Computing kpt #: 15 total cpu time spent up to now is 4.2 secs Computing kpt #: 16 total cpu time spent up to now is 4.3 secs Computing kpt #: 17 total cpu time spent up to now is 4.4 secs Computing kpt #: 18 total cpu time spent up to now is 4.6 secs Computing kpt #: 19 total cpu time spent up to now is 4.7 secs Computing kpt #: 20 total cpu time spent up to now is 4.8 secs Computing kpt #: 21 total cpu time spent up to now is 5.0 secs Computing kpt #: 22 total cpu time spent up to now is 5.1 secs Computing kpt #: 23 total cpu time spent up to now is 5.2 secs Computing kpt #: 24 total cpu time spent up to now is 5.3 secs Computing kpt #: 25 total cpu time spent up to now is 5.5 secs Computing kpt #: 26 total cpu time spent up to now is 5.6 secs Computing kpt #: 27 total cpu time spent up to now is 5.7 secs Computing kpt #: 28 total cpu time spent up to now is 5.9 secs Computing kpt #: 29 total cpu time spent up to now is 6.0 secs Computing kpt #: 30 total cpu time spent up to now is 6.5 secs Computing kpt #: 31 total cpu time spent up to now is 6.7 secs Computing kpt #: 32 total cpu time spent up to now is 6.9 secs Computing kpt #: 33 total cpu time spent up to now is 7.0 secs Computing kpt #: 34 total cpu time spent up to now is 7.2 secs Computing kpt #: 35 total cpu time spent up to now is 7.4 secs Computing kpt #: 36 total cpu time spent up to now is 7.6 secs Computing kpt #: 37 total cpu time spent up to now is 7.8 secs Computing kpt #: 38 total cpu time spent up to now is 8.0 secs Computing kpt #: 39 total cpu time spent up to now is 8.2 secs Computing kpt #: 40 total cpu time spent up to now is 8.3 secs Computing kpt #: 41 total cpu time spent up to now is 8.5 secs Computing kpt #: 42 total cpu time spent up to now is 8.7 secs Computing kpt #: 43 total cpu time spent up to now is 8.9 secs Computing kpt #: 44 total cpu time spent up to now is 9.0 secs Computing kpt #: 45 total cpu time spent up to now is 9.2 secs Computing kpt #: 46 total cpu time spent up to now is 9.4 secs Computing kpt #: 47 total cpu time spent up to now is 9.6 secs Computing kpt #: 48 total cpu time spent up to now is 9.8 secs Computing kpt #: 49 total cpu time spent up to now is 9.9 secs Computing kpt #: 50 total cpu time spent up to now is 10.1 secs Computing kpt #: 51 total cpu time spent up to now is 10.2 secs Computing kpt #: 52 total cpu time spent up to now is 10.4 secs Computing kpt #: 53 total cpu time spent up to now is 10.5 secs Computing kpt #: 54 total cpu time spent up to now is 10.6 secs Computing kpt #: 55 total cpu time spent up to now is 10.8 secs Computing kpt #: 56 total cpu time spent up to now is 10.9 secs Computing kpt #: 57 total cpu time spent up to now is 11.0 secs Computing kpt #: 58 total cpu time spent up to now is 11.2 secs Computing kpt #: 59 total cpu time spent up to now is 11.3 secs Computing kpt #: 60 total cpu time spent up to now is 11.4 secs Computing kpt #: 61 total cpu time spent up to now is 11.5 secs Computing kpt #: 62 total cpu time spent up to now is 11.7 secs Computing kpt #: 63 total cpu time spent up to now is 11.8 secs Computing kpt #: 64 total cpu time spent up to now is 11.9 secs Computing kpt #: 65 total cpu time spent up to now is 12.0 secs Computing kpt #: 66 total cpu time spent up to now is 12.2 secs Computing kpt #: 67 total cpu time spent up to now is 12.3 secs Computing kpt #: 68 total cpu time spent up to now is 12.4 secs Computing kpt #: 69 total cpu time spent up to now is 12.5 secs Computing kpt #: 70 total cpu time spent up to now is 12.7 secs Computing kpt #: 71 total cpu time spent up to now is 12.8 secs Computing kpt #: 72 total cpu time spent up to now is 12.9 secs Computing kpt #: 73 total cpu time spent up to now is 13.0 secs Computing kpt #: 74 total cpu time spent up to now is 13.1 secs Computing kpt #: 75 total cpu time spent up to now is 13.3 secs Computing kpt #: 76 total cpu time spent up to now is 13.4 secs Computing kpt #: 77 total cpu time spent up to now is 13.5 secs Computing kpt #: 78 total cpu time spent up to now is 13.6 secs Computing kpt #: 79 total cpu time spent up to now is 13.8 secs Computing kpt #: 80 total cpu time spent up to now is 13.9 secs Computing kpt #: 81 total cpu time spent up to now is 14.0 secs Computing kpt #: 82 total cpu time spent up to now is 14.1 secs Computing kpt #: 83 total cpu time spent up to now is 14.3 secs Computing kpt #: 84 total cpu time spent up to now is 14.4 secs Computing kpt #: 85 total cpu time spent up to now is 14.5 secs Computing kpt #: 86 total cpu time spent up to now is 14.6 secs Computing kpt #: 87 total cpu time spent up to now is 14.7 secs Computing kpt #: 88 total cpu time spent up to now is 14.9 secs Computing kpt #: 89 total cpu time spent up to now is 15.0 secs Computing kpt #: 90 total cpu time spent up to now is 15.1 secs Computing kpt #: 91 total cpu time spent up to now is 15.3 secs Computing kpt #: 92 total cpu time spent up to now is 15.4 secs Computing kpt #: 93 total cpu time spent up to now is 15.5 secs Computing kpt #: 94 total cpu time spent up to now is 15.6 secs Computing kpt #: 95 total cpu time spent up to now is 15.8 secs Computing kpt #: 96 total cpu time spent up to now is 15.9 secs Computing kpt #: 97 total cpu time spent up to now is 16.0 secs Computing kpt #: 98 total cpu time spent up to now is 16.1 secs Computing kpt #: 99 total cpu time spent up to now is 16.3 secs Computing kpt #: 100 total cpu time spent up to now is 16.4 secs Computing kpt #: 101 total cpu time spent up to now is 16.5 secs Computing kpt #: 102 total cpu time spent up to now is 16.6 secs Computing kpt #: 103 total cpu time spent up to now is 16.7 secs Computing kpt #: 104 total cpu time spent up to now is 16.9 secs Computing kpt #: 105 total cpu time spent up to now is 17.0 secs Computing kpt #: 106 total cpu time spent up to now is 17.1 secs Computing kpt #: 107 total cpu time spent up to now is 17.2 secs Computing kpt #: 108 total cpu time spent up to now is 17.4 secs Computing kpt #: 109 total cpu time spent up to now is 17.5 secs Computing kpt #: 110 total cpu time spent up to now is 17.6 secs Computing kpt #: 111 total cpu time spent up to now is 17.8 secs Computing kpt #: 112 total cpu time spent up to now is 18.0 secs Computing kpt #: 113 total cpu time spent up to now is 18.1 secs Computing kpt #: 114 total cpu time spent up to now is 18.3 secs Computing kpt #: 115 total cpu time spent up to now is 18.4 secs Computing kpt #: 116 total cpu time spent up to now is 18.5 secs Computing kpt #: 117 total cpu time spent up to now is 18.7 secs Computing kpt #: 118 total cpu time spent up to now is 18.8 secs Computing kpt #: 119 total cpu time spent up to now is 18.9 secs Computing kpt #: 120 total cpu time spent up to now is 19.1 secs Computing kpt #: 121 total cpu time spent up to now is 19.2 secs Computing kpt #: 122 total cpu time spent up to now is 19.3 secs Computing kpt #: 123 total cpu time spent up to now is 19.5 secs Computing kpt #: 124 total cpu time spent up to now is 19.6 secs Computing kpt #: 125 total cpu time spent up to now is 19.7 secs Computing kpt #: 126 total cpu time spent up to now is 19.9 secs Computing kpt #: 127 total cpu time spent up to now is 20.0 secs Computing kpt #: 128 total cpu time spent up to now is 20.2 secs Computing kpt #: 129 total cpu time spent up to now is 20.3 secs Computing kpt #: 130 total cpu time spent up to now is 20.4 secs Computing kpt #: 131 total cpu time spent up to now is 20.6 secs Computing kpt #: 132 total cpu time spent up to now is 20.7 secs Computing kpt #: 133 total cpu time spent up to now is 20.8 secs Computing kpt #: 134 total cpu time spent up to now is 20.9 secs Computing kpt #: 135 total cpu time spent up to now is 21.0 secs Computing kpt #: 136 total cpu time spent up to now is 21.2 secs Computing kpt #: 137 total cpu time spent up to now is 21.3 secs Computing kpt #: 138 total cpu time spent up to now is 21.5 secs Computing kpt #: 139 total cpu time spent up to now is 21.6 secs Computing kpt #: 140 total cpu time spent up to now is 21.7 secs Computing kpt #: 141 total cpu time spent up to now is 21.9 secs Computing kpt #: 142 total cpu time spent up to now is 22.0 secs Computing kpt #: 143 total cpu time spent up to now is 22.1 secs Computing kpt #: 144 total cpu time spent up to now is 22.3 secs Computing kpt #: 145 total cpu time spent up to now is 22.4 secs Computing kpt #: 146 total cpu time spent up to now is 22.5 secs Computing kpt #: 147 total cpu time spent up to now is 22.6 secs Computing kpt #: 148 total cpu time spent up to now is 22.8 secs Computing kpt #: 149 total cpu time spent up to now is 22.9 secs Computing kpt #: 150 total cpu time spent up to now is 23.0 secs Computing kpt #: 151 total cpu time spent up to now is 23.1 secs Computing kpt #: 152 total cpu time spent up to now is 23.3 secs Computing kpt #: 153 total cpu time spent up to now is 23.4 secs Computing kpt #: 154 total cpu time spent up to now is 23.5 secs Computing kpt #: 155 total cpu time spent up to now is 23.6 secs Computing kpt #: 156 total cpu time spent up to now is 23.7 secs Computing kpt #: 157 total cpu time spent up to now is 23.9 secs Computing kpt #: 158 total cpu time spent up to now is 24.0 secs Computing kpt #: 159 total cpu time spent up to now is 24.1 secs Computing kpt #: 160 total cpu time spent up to now is 24.2 secs Computing kpt #: 161 total cpu time spent up to now is 24.3 secs Computing kpt #: 162 total cpu time spent up to now is 24.5 secs Computing kpt #: 163 total cpu time spent up to now is 24.6 secs Computing kpt #: 164 total cpu time spent up to now is 24.7 secs Computing kpt #: 165 total cpu time spent up to now is 24.8 secs Computing kpt #: 166 total cpu time spent up to now is 25.0 secs Computing kpt #: 167 total cpu time spent up to now is 25.1 secs Computing kpt #: 168 total cpu time spent up to now is 25.2 secs Computing kpt #: 169 total cpu time spent up to now is 25.3 secs Computing kpt #: 170 total cpu time spent up to now is 25.5 secs Computing kpt #: 171 total cpu time spent up to now is 25.6 secs Computing kpt #: 172 total cpu time spent up to now is 25.8 secs Computing kpt #: 173 total cpu time spent up to now is 25.9 secs Computing kpt #: 174 total cpu time spent up to now is 26.1 secs Computing kpt #: 175 total cpu time spent up to now is 26.2 secs Computing kpt #: 176 total cpu time spent up to now is 26.3 secs Computing kpt #: 177 total cpu time spent up to now is 26.5 secs Computing kpt #: 178 total cpu time spent up to now is 26.6 secs Computing kpt #: 179 total cpu time spent up to now is 26.8 secs Computing kpt #: 180 total cpu time spent up to now is 26.9 secs Computing kpt #: 181 total cpu time spent up to now is 27.1 secs Computing kpt #: 182 total cpu time spent up to now is 27.2 secs Computing kpt #: 183 total cpu time spent up to now is 27.4 secs Computing kpt #: 184 total cpu time spent up to now is 27.5 secs Computing kpt #: 185 total cpu time spent up to now is 27.7 secs Computing kpt #: 186 total cpu time spent up to now is 27.8 secs Computing kpt #: 187 total cpu time spent up to now is 28.0 secs Computing kpt #: 188 total cpu time spent up to now is 28.2 secs Computing kpt #: 189 total cpu time spent up to now is 28.3 secs Computing kpt #: 190 total cpu time spent up to now is 28.5 secs Computing kpt #: 191 total cpu time spent up to now is 28.7 secs Computing kpt #: 192 total cpu time spent up to now is 28.9 secs Computing kpt #: 193 total cpu time spent up to now is 29.1 secs Computing kpt #: 194 total cpu time spent up to now is 29.3 secs Computing kpt #: 195 total cpu time spent up to now is 29.5 secs Computing kpt #: 196 total cpu time spent up to now is 29.8 secs Computing kpt #: 197 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 30.3 secs Computing kpt #: 198 total cpu time spent up to now is 30.5 secs Computing kpt #: 199 total cpu time spent up to now is 30.6 secs Computing kpt #: 200 total cpu time spent up to now is 30.8 secs Computing kpt #: 201 total cpu time spent up to now is 31.0 secs Computing kpt #: 202 total cpu time spent up to now is 31.2 secs Computing kpt #: 203 total cpu time spent up to now is 31.3 secs Computing kpt #: 204 total cpu time spent up to now is 31.5 secs Computing kpt #: 205 total cpu time spent up to now is 31.7 secs Computing kpt #: 206 total cpu time spent up to now is 31.8 secs Computing kpt #: 207 total cpu time spent up to now is 32.0 secs Computing kpt #: 208 total cpu time spent up to now is 32.1 secs Computing kpt #: 209 total cpu time spent up to now is 32.2 secs Computing kpt #: 210 total cpu time spent up to now is 32.4 secs Computing kpt #: 211 total cpu time spent up to now is 32.5 secs Computing kpt #: 212 total cpu time spent up to now is 32.7 secs Computing kpt #: 213 total cpu time spent up to now is 32.8 secs Computing kpt #: 214 total cpu time spent up to now is 32.9 secs Computing kpt #: 215 total cpu time spent up to now is 33.1 secs Computing kpt #: 216 total cpu time spent up to now is 33.2 secs Computing kpt #: 217 total cpu time spent up to now is 33.3 secs Computing kpt #: 218 total cpu time spent up to now is 33.5 secs Computing kpt #: 219 total cpu time spent up to now is 33.6 secs Computing kpt #: 220 total cpu time spent up to now is 33.7 secs Computing kpt #: 221 total cpu time spent up to now is 33.9 secs Computing kpt #: 222 total cpu time spent up to now is 34.0 secs Computing kpt #: 223 total cpu time spent up to now is 34.1 secs Computing kpt #: 224 total cpu time spent up to now is 34.3 secs Computing kpt #: 225 total cpu time spent up to now is 34.4 secs Computing kpt #: 226 total cpu time spent up to now is 34.5 secs Computing kpt #: 227 total cpu time spent up to now is 34.6 secs Computing kpt #: 228 total cpu time spent up to now is 34.8 secs Computing kpt #: 229 total cpu time spent up to now is 34.9 secs Computing kpt #: 230 total cpu time spent up to now is 35.0 secs Computing kpt #: 231 total cpu time spent up to now is 35.1 secs Computing kpt #: 232 total cpu time spent up to now is 35.3 secs Computing kpt #: 233 total cpu time spent up to now is 35.4 secs Computing kpt #: 234 total cpu time spent up to now is 35.5 secs Computing kpt #: 235 total cpu time spent up to now is 35.6 secs Computing kpt #: 236 total cpu time spent up to now is 35.8 secs Computing kpt #: 237 total cpu time spent up to now is 35.9 secs Computing kpt #: 238 total cpu time spent up to now is 36.0 secs Computing kpt #: 239 total cpu time spent up to now is 36.2 secs Computing kpt #: 240 total cpu time spent up to now is 36.3 secs Computing kpt #: 241 total cpu time spent up to now is 36.5 secs Computing kpt #: 242 total cpu time spent up to now is 36.6 secs Computing kpt #: 243 total cpu time spent up to now is 36.7 secs Computing kpt #: 244 total cpu time spent up to now is 36.9 secs Computing kpt #: 245 total cpu time spent up to now is 37.1 secs Computing kpt #: 246 total cpu time spent up to now is 37.2 secs Computing kpt #: 247 total cpu time spent up to now is 37.4 secs Computing kpt #: 248 total cpu time spent up to now is 37.5 secs Computing kpt #: 249 total cpu time spent up to now is 37.7 secs Computing kpt #: 250 total cpu time spent up to now is 37.9 secs Computing kpt #: 251 total cpu time spent up to now is 38.1 secs Computing kpt #: 252 total cpu time spent up to now is 38.3 secs Computing kpt #: 253 total cpu time spent up to now is 38.4 secs Computing kpt #: 254 total cpu time spent up to now is 38.5 secs Computing kpt #: 255 total cpu time spent up to now is 38.6 secs Computing kpt #: 256 total cpu time spent up to now is 38.7 secs Computing kpt #: 257 total cpu time spent up to now is 38.9 secs Computing kpt #: 258 total cpu time spent up to now is 39.0 secs Computing kpt #: 259 total cpu time spent up to now is 39.1 secs Computing kpt #: 260 total cpu time spent up to now is 39.3 secs Computing kpt #: 261 total cpu time spent up to now is 39.4 secs Computing kpt #: 262 total cpu time spent up to now is 39.5 secs Computing kpt #: 263 total cpu time spent up to now is 39.7 secs Computing kpt #: 264 total cpu time spent up to now is 39.8 secs Computing kpt #: 265 total cpu time spent up to now is 40.0 secs Computing kpt #: 266 total cpu time spent up to now is 40.1 secs Computing kpt #: 267 total cpu time spent up to now is 40.2 secs Computing kpt #: 268 total cpu time spent up to now is 40.4 secs Computing kpt #: 269 total cpu time spent up to now is 40.5 secs Computing kpt #: 270 total cpu time spent up to now is 40.6 secs Computing kpt #: 271 total cpu time spent up to now is 40.8 secs Computing kpt #: 272 total cpu time spent up to now is 40.9 secs Computing kpt #: 273 total cpu time spent up to now is 41.0 secs Computing kpt #: 274 total cpu time spent up to now is 41.2 secs Computing kpt #: 275 total cpu time spent up to now is 41.3 secs Computing kpt #: 276 total cpu time spent up to now is 41.5 secs Computing kpt #: 277 total cpu time spent up to now is 41.6 secs Computing kpt #: 278 total cpu time spent up to now is 41.7 secs Computing kpt #: 279 total cpu time spent up to now is 41.9 secs Computing kpt #: 280 total cpu time spent up to now is 42.0 secs Computing kpt #: 281 total cpu time spent up to now is 42.1 secs Computing kpt #: 282 total cpu time spent up to now is 42.3 secs Computing kpt #: 283 total cpu time spent up to now is 42.4 secs Computing kpt #: 284 total cpu time spent up to now is 42.6 secs Computing kpt #: 285 total cpu time spent up to now is 42.7 secs Computing kpt #: 286 total cpu time spent up to now is 42.9 secs Computing kpt #: 287 total cpu time spent up to now is 43.0 secs Computing kpt #: 288 total cpu time spent up to now is 43.2 secs Computing kpt #: 289 total cpu time spent up to now is 43.4 secs Computing kpt #: 290 total cpu time spent up to now is 43.6 secs Computing kpt #: 291 total cpu time spent up to now is 43.7 secs ethr = 4.55E-08, avg # of iterations = 17.2 total cpu time spent up to now is 43.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1935 PWs) bands (ev): -20.0496 -20.0496 -6.5445 -6.5445 -4.4819 -4.4819 -4.4819 -4.4819 -0.6603 -0.6603 -0.6603 -0.6603 0.0131 0.0131 0.0131 0.0131 0.0722 0.0722 3.1417 3.1417 8.9471 8.9471 8.9471 8.9471 11.7145 11.7145 12.2674 12.2674 12.2674 12.2674 k = 0.0000 0.0132-0.0000 ( 1935 PWs) bands (ev): -20.0496 -20.0496 -6.5447 -6.5447 -4.4826 -4.4826 -4.4819 -4.4819 -0.6602 -0.6602 -0.6601 -0.6601 0.0131 0.0131 0.0132 0.0132 0.0723 0.0723 3.1439 3.1439 8.9472 8.9472 8.9477 8.9477 11.7061 11.7061 12.2499 12.2499 12.2548 12.2548 k = 0.0000 0.0263-0.0000 ( 1959 PWs) bands (ev): -20.0494 -20.0494 -6.5453 -6.5453 -4.4847 -4.4847 -4.4817 -4.4817 -0.6602 -0.6602 -0.6598 -0.6598 0.0132 0.0132 0.0136 0.0136 0.0723 0.0723 3.1503 3.1503 8.9473 8.9473 8.9494 8.9494 11.6816 11.6816 12.2020 12.2020 12.2193 12.2193 k = 0.0000 0.0395-0.0000 ( 1967 PWs) bands (ev): -20.0492 -20.0492 -6.5462 -6.5462 -4.4881 -4.4881 -4.4814 -4.4814 -0.6601 -0.6601 -0.6592 -0.6592 0.0133 0.0133 0.0142 0.0142 0.0724 0.0724 3.1610 3.1610 8.9471 8.9471 8.9523 8.9523 11.6429 11.6429 12.1332 12.1332 12.1662 12.1662 k = 0.0000 0.0526-0.0000 ( 1967 PWs) bands (ev): -20.0488 -20.0488 -6.5476 -6.5476 -4.4928 -4.4928 -4.4810 -4.4810 -0.6599 -0.6599 -0.6584 -0.6584 0.0135 0.0135 0.0151 0.0151 0.0725 0.0725 3.1760 3.1760 8.9463 8.9463 8.9563 8.9563 11.5927 11.5927 12.0515 12.0515 12.1006 12.1006 k = 0.0000 0.0658-0.0000 ( 1967 PWs) bands (ev): -20.0484 -20.0484 -6.5494 -6.5494 -4.4988 -4.4988 -4.4804 -4.4804 -0.6597 -0.6597 -0.6574 -0.6574 0.0138 0.0138 0.0162 0.0162 0.0727 0.0727 3.1951 3.1951 8.9441 8.9441 8.9614 8.9614 11.5338 11.5338 11.9625 11.9625 12.0269 12.0269 k = 0.0000 0.0789-0.0000 ( 1967 PWs) bands (ev): -20.0478 -20.0478 -6.5515 -6.5515 -4.5060 -4.5060 -4.4798 -4.4798 -0.6595 -0.6595 -0.6561 -0.6561 0.0141 0.0141 0.0175 0.0175 0.0728 0.0728 3.2184 3.2184 8.9397 8.9397 8.9676 8.9676 11.4687 11.4687 11.8693 11.8693 11.9490 11.9490 k = 0.0000 0.0921-0.0000 ( 1975 PWs) bands (ev): -20.0472 -20.0472 -6.5540 -6.5540 -4.5143 -4.5143 -4.4790 -4.4790 -0.6592 -0.6592 -0.6547 -0.6547 0.0144 0.0144 0.0190 0.0190 0.0731 0.0731 3.2457 3.2457 8.9322 8.9322 8.9749 8.9749 11.3995 11.3995 11.7740 11.7740 11.8699 11.8699 k = 0.0000 0.1053-0.0000 ( 1983 PWs) bands (ev): -20.0464 -20.0464 -6.5569 -6.5569 -4.5236 -4.5236 -4.4782 -4.4782 -0.6589 -0.6589 -0.6531 -0.6531 0.0148 0.0148 0.0208 0.0208 0.0733 0.0733 3.2771 3.2771 8.9205 8.9205 8.9832 8.9832 11.3280 11.3280 11.6780 11.6780 11.7928 11.7928 k = 0.0000 0.1184-0.0000 ( 1991 PWs) bands (ev): -20.0456 -20.0456 -6.5601 -6.5601 -4.5339 -4.5339 -4.4772 -4.4772 -0.6585 -0.6585 -0.6513 -0.6513 0.0152 0.0152 0.0228 0.0228 0.0736 0.0736 3.3123 3.3123 8.9032 8.9032 8.9925 8.9925 11.2554 11.2554 11.5820 11.5820 11.7205 11.7205 k = 0.0000 0.1316-0.0000 ( 1983 PWs) bands (ev): -20.0447 -20.0447 -6.5636 -6.5636 -4.5451 -4.5451 -4.4762 -4.4762 -0.6581 -0.6581 -0.6494 -0.6494 0.0157 0.0157 0.0250 0.0250 0.0739 0.0739 3.3513 3.3513 8.8793 8.8793 9.0028 9.0028 11.1822 11.1822 11.4868 11.4868 11.6560 11.6560 k = 0.0000 0.1447-0.0000 ( 1983 PWs) bands (ev): -20.0437 -20.0437 -6.5675 -6.5675 -4.5570 -4.5570 -4.4751 -4.4751 -0.6577 -0.6577 -0.6473 -0.6473 0.0162 0.0162 0.0273 0.0273 0.0742 0.0742 3.3940 3.3940 8.8474 8.8474 9.0140 9.0140 11.1089 11.1089 11.3928 11.3928 11.6019 11.6019 k = 0.0000 0.1579-0.0000 ( 1983 PWs) bands (ev): -20.0427 -20.0427 -6.5717 -6.5717 -4.5695 -4.5695 -4.4739 -4.4739 -0.6573 -0.6573 -0.6451 -0.6451 0.0167 0.0167 0.0299 0.0299 0.0745 0.0745 3.4404 3.4404 8.8066 8.8066 9.0261 9.0261 11.0356 11.0356 11.3003 11.3003 11.5609 11.5609 k = 0.0000 0.1711-0.0000 ( 1983 PWs) bands (ev): -20.0416 -20.0416 -6.5761 -6.5761 -4.5826 -4.5826 -4.4726 -4.4726 -0.6568 -0.6568 -0.6428 -0.6428 0.0173 0.0173 0.0326 0.0326 0.0749 0.0749 3.4902 3.4902 8.7562 8.7562 9.0390 9.0390 10.9621 10.9621 11.2097 11.2097 11.5349 11.5349 k = 0.0000 0.1842-0.0000 ( 1975 PWs) bands (ev): -20.0404 -20.0404 -6.5808 -6.5808 -4.5960 -4.5960 -4.4713 -4.4713 -0.6563 -0.6563 -0.6405 -0.6405 0.0179 0.0179 0.0354 0.0354 0.0753 0.0753 3.5433 3.5433 8.6959 8.6959 9.0526 9.0526 10.8886 10.8886 11.1213 11.1213 11.5251 11.5251 k = 0.0000 0.1974-0.0000 ( 1975 PWs) bands (ev): -20.0393 -20.0393 -6.5858 -6.5858 -4.6098 -4.6098 -4.4700 -4.4700 -0.6558 -0.6558 -0.6380 -0.6380 0.0186 0.0186 0.0384 0.0384 0.0757 0.0757 3.5998 3.5998 8.6259 8.6259 9.0670 9.0670 10.8155 10.8155 11.0352 11.0352 11.5320 11.5320 k = 0.0000 0.2105-0.0000 ( 1980 PWs) bands (ev): -20.0380 -20.0380 -6.5909 -6.5909 -4.6238 -4.6238 -4.4685 -4.4685 -0.6553 -0.6553 -0.6356 -0.6356 0.0192 0.0192 0.0414 0.0414 0.0761 0.0761 3.6593 3.6593 8.5464 8.5464 9.0819 9.0819 10.7429 10.7429 10.9516 10.9516 11.5556 11.5556 k = 0.0000 0.2237-0.0000 ( 1980 PWs) bands (ev): -20.0368 -20.0368 -6.5962 -6.5962 -4.6378 -4.6378 -4.4671 -4.4671 -0.6547 -0.6547 -0.6331 -0.6331 0.0199 0.0199 0.0446 0.0446 0.0765 0.0765 3.7218 3.7218 8.4583 8.4583 9.0974 9.0974 10.6715 10.6715 10.8708 10.8708 11.5952 11.5952 k = 0.0000 0.2368-0.0000 ( 1980 PWs) bands (ev): -20.0355 -20.0355 -6.6017 -6.6017 -4.6519 -4.6519 -4.4657 -4.4657 -0.6542 -0.6542 -0.6305 -0.6305 0.0205 0.0205 0.0478 0.0478 0.0769 0.0769 3.7873 3.7873 8.3624 8.3624 9.1134 9.1134 10.6017 10.6017 10.7928 10.7928 11.6500 11.6500 k = 0.0000 0.2500-0.0000 ( 1980 PWs) bands (ev): -20.0342 -20.0342 -6.6072 -6.6072 -4.6658 -4.6658 -4.4642 -4.4642 -0.6536 -0.6536 -0.6280 -0.6280 0.0212 0.0212 0.0511 0.0511 0.0774 0.0774 3.8555 3.8555 8.2599 8.2599 9.1297 9.1297 10.5337 10.5337 10.7179 10.7179 11.7189 11.7189 k = 0.0000 0.2632-0.0000 ( 1980 PWs) bands (ev): -20.0330 -20.0330 -6.6128 -6.6128 -4.6795 -4.6795 -4.4627 -4.4627 -0.6531 -0.6531 -0.6256 -0.6256 0.0219 0.0219 0.0543 0.0543 0.0778 0.0778 3.9263 3.9263 8.1519 8.1519 9.1462 9.1462 10.4680 10.4680 10.6461 10.6461 11.8009 11.8009 k = 0.0000 0.2763-0.0000 ( 1980 PWs) bands (ev): -20.0317 -20.0317 -6.6185 -6.6185 -4.6928 -4.6928 -4.4613 -4.4613 -0.6525 -0.6525 -0.6231 -0.6231 0.0226 0.0226 0.0576 0.0576 0.0783 0.0783 3.9996 3.9996 8.0393 8.0393 9.1629 9.1629 10.4049 10.4049 10.5776 10.5776 11.8949 11.8949 k = 0.0000 0.2895-0.0000 ( 1980 PWs) bands (ev): -20.0304 -20.0304 -6.6241 -6.6241 -4.7058 -4.7058 -4.4598 -4.4598 -0.6520 -0.6520 -0.6207 -0.6207 0.0232 0.0232 0.0609 0.0609 0.0787 0.0787 4.0752 4.0752 7.9231 7.9231 9.1797 9.1797 10.3446 10.3446 10.5124 10.5124 11.9998 11.9998 k = 0.0000 0.3026-0.0000 ( 1968 PWs) bands (ev): -20.0292 -20.0292 -6.6297 -6.6297 -4.7184 -4.7184 -4.4584 -4.4584 -0.6514 -0.6514 -0.6184 -0.6184 0.0239 0.0239 0.0641 0.0641 0.0792 0.0792 4.1529 4.1529 7.8044 7.8044 9.1963 9.1963 10.2872 10.2872 10.4507 10.4507 12.1146 12.1146 k = 0.0000 0.3158-0.0000 ( 1980 PWs) bands (ev): -20.0280 -20.0280 -6.6352 -6.6352 -4.7304 -4.7304 -4.4570 -4.4570 -0.6509 -0.6509 -0.6162 -0.6162 0.0245 0.0245 0.0672 0.0672 0.0796 0.0796 4.2327 4.2327 7.6840 7.6840 9.2128 9.2128 10.2330 10.2330 10.3926 10.3926 12.2385 12.2385 k = 0.0000 0.3289-0.0000 ( 1980 PWs) bands (ev): -20.0269 -20.0269 -6.6406 -6.6406 -4.7418 -4.7418 -4.4557 -4.4557 -0.6504 -0.6504 -0.6141 -0.6141 0.0251 0.0251 0.0703 0.0703 0.0800 0.0800 4.3142 4.3142 7.5626 7.5626 9.2289 9.2289 10.1820 10.1820 10.3381 10.3381 12.3706 12.3706 k = 0.0000 0.3421-0.0000 ( 1984 PWs) bands (ev): -20.0258 -20.0258 -6.6457 -6.6457 -4.7526 -4.7526 -4.4545 -4.4545 -0.6499 -0.6499 -0.6121 -0.6121 0.0257 0.0257 0.0732 0.0732 0.0804 0.0804 4.3972 4.3972 7.4411 7.4411 9.2446 9.2446 10.1344 10.1344 10.2874 10.2874 12.5099 12.5099 k = 0.0000 0.3553-0.0000 ( 1984 PWs) bands (ev): -20.0247 -20.0247 -6.6507 -6.6507 -4.7626 -4.7626 -4.4533 -4.4533 -0.6495 -0.6495 -0.6102 -0.6102 0.0263 0.0263 0.0760 0.0760 0.0808 0.0808 4.4815 4.4815 7.3201 7.3201 9.2596 9.2596 10.0904 10.0904 10.2405 10.2405 12.6557 12.6557 k = 0.0000 0.3684-0.0000 ( 1992 PWs) bands (ev): -20.0237 -20.0237 -6.6554 -6.6554 -4.7719 -4.7719 -4.4521 -4.4521 -0.6491 -0.6491 -0.6084 -0.6084 0.0268 0.0268 0.0786 0.0786 0.0812 0.0812 4.5665 4.5665 7.2006 7.2006 9.2739 9.2739 10.0498 10.0498 10.1974 10.1974 12.8069 12.8069 k = 0.0000 0.3816-0.0000 ( 1996 PWs) bands (ev): -20.0228 -20.0228 -6.6597 -6.6597 -4.7805 -4.7805 -4.4511 -4.4511 -0.6487 -0.6487 -0.6068 -0.6068 0.0273 0.0273 0.0811 0.0811 0.0815 0.0815 4.6519 4.6519 7.0831 7.0831 9.2873 9.2873 10.0130 10.0130 10.1583 10.1583 12.9625 12.9625 k = 0.0000 0.3947-0.0000 ( 1988 PWs) bands (ev): -20.0220 -20.0220 -6.6637 -6.6637 -4.7882 -4.7882 -4.4501 -4.4501 -0.6483 -0.6483 -0.6054 -0.6054 0.0277 0.0277 0.0818 0.0818 0.0833 0.0833 4.7370 4.7370 6.9688 6.9688 9.2998 9.2998 9.9799 9.9799 10.1232 10.1232 13.0250 13.0250 k = 0.0000 0.4079-0.0000 ( 1988 PWs) bands (ev): -20.0213 -20.0213 -6.6674 -6.6674 -4.7950 -4.7950 -4.4493 -4.4493 -0.6480 -0.6480 -0.6040 -0.6040 0.0281 0.0281 0.0821 0.0821 0.0854 0.0854 4.8209 4.8209 6.8586 6.8586 9.3111 9.3111 9.9505 9.9505 10.0921 10.0921 13.0275 13.0275 k = 0.0000 0.4211-0.0000 ( 1988 PWs) bands (ev): -20.0206 -20.0206 -6.6706 -6.6706 -4.8010 -4.8010 -4.4485 -4.4485 -0.6477 -0.6477 -0.6029 -0.6029 0.0285 0.0285 0.0823 0.0823 0.0872 0.0872 4.9024 4.9024 6.7539 6.7539 9.3211 9.3211 9.9250 9.9250 10.0650 10.0650 13.0297 13.0297 k = 0.0000 0.4342-0.0000 ( 1988 PWs) bands (ev): -20.0200 -20.0200 -6.6734 -6.6734 -4.8061 -4.8061 -4.4479 -4.4479 -0.6474 -0.6474 -0.6019 -0.6019 0.0288 0.0288 0.0825 0.0825 0.0887 0.0887 4.9799 4.9799 6.6566 6.6566 9.3298 9.3298 9.9033 9.9033 10.0421 10.0421 13.0317 13.0317 k = 0.0000 0.4474-0.0000 ( 1992 PWs) bands (ev): -20.0196 -20.0196 -6.6757 -6.6757 -4.8103 -4.8103 -4.4473 -4.4473 -0.6472 -0.6472 -0.6011 -0.6011 0.0290 0.0290 0.0827 0.0827 0.0900 0.0900 5.0511 5.0511 6.5690 6.5690 9.3371 9.3371 9.8855 9.8855 10.0233 10.0233 13.0332 13.0332 k = 0.0000 0.4605-0.0000 ( 1988 PWs) bands (ev): -20.0192 -20.0192 -6.6775 -6.6775 -4.8136 -4.8136 -4.4469 -4.4469 -0.6471 -0.6471 -0.6005 -0.6005 0.0292 0.0292 0.0829 0.0829 0.0910 0.0910 5.1130 5.1130 6.4943 6.4943 9.3428 9.3428 9.8717 9.8717 10.0086 10.0086 13.0345 13.0345 k = 0.0000 0.4737-0.0000 ( 1984 PWs) bands (ev): -20.0189 -20.0189 -6.6788 -6.6788 -4.8159 -4.8159 -4.4466 -4.4466 -0.6469 -0.6469 -0.6000 -0.6000 0.0294 0.0294 0.0830 0.0830 0.0917 0.0917 5.1618 5.1618 6.4362 6.4362 9.3470 9.3470 9.8618 9.8618 9.9982 9.9982 13.0354 13.0354 k = 0.0000 0.4868-0.0000 ( 1984 PWs) bands (ev): -20.0188 -20.0188 -6.6796 -6.6796 -4.8174 -4.8174 -4.4464 -4.4464 -0.6469 -0.6469 -0.5998 -0.5998 0.0294 0.0294 0.0830 0.0830 0.0921 0.0921 5.1935 5.1935 6.3990 6.3990 9.3495 9.3495 9.8558 9.8558 9.9919 9.9919 13.0360 13.0360 k = 0.0000 0.5000-0.0000 ( 1984 PWs) bands (ev): -20.0187 -20.0187 -6.6799 -6.6799 -4.8178 -4.8178 -4.4464 -4.4464 -0.6469 -0.6469 -0.5997 -0.5997 0.0295 0.0295 0.0830 0.0830 0.0923 0.0923 5.2045 5.2045 6.3862 6.3862 9.3503 9.3503 9.8538 9.8538 9.9898 9.9898 13.0361 13.0361 k = 0.0000 0.5000-0.0000 ( 1984 PWs) bands (ev): -20.0187 -20.0187 -6.6799 -6.6799 -4.8178 -4.8178 -4.4464 -4.4464 -0.6469 -0.6469 -0.5997 -0.5997 0.0295 0.0295 0.0830 0.0830 0.0923 0.0923 5.2045 5.2045 6.3862 6.3862 9.3503 9.3503 9.8538 9.8538 9.9898 9.9898 13.0361 13.0361 k = 0.0132 0.5000-0.0000 ( 1984 PWs) bands (ev): -20.0187 -20.0187 -6.6800 -6.6800 -4.8179 -4.8179 -4.4468 -4.4468 -0.6469 -0.6469 -0.5997 -0.5997 0.0295 0.0295 0.0829 0.0829 0.0923 0.0923 5.2040 5.2040 6.3889 6.3889 9.3523 9.3523 9.8532 9.8532 9.9891 9.9891 13.0314 13.0314 k = 0.0263 0.5000-0.0000 ( 1984 PWs) bands (ev): -20.0185 -20.0185 -6.6802 -6.6802 -4.8180 -4.8180 -4.4479 -4.4479 -0.6468 -0.6468 -0.5999 -0.5999 0.0296 0.0296 0.0825 0.0825 0.0922 0.0922 5.2026 5.2026 6.3972 6.3972 9.3581 9.3581 9.8507 9.8507 9.9876 9.9876 13.0174 13.0174 k = 0.0395 0.5000-0.0000 ( 1990 PWs) bands (ev): -20.0183 -20.0183 -6.6807 -6.6807 -4.8183 -4.8183 -4.4498 -4.4498 -0.6468 -0.6468 -0.6003 -0.6003 0.0297 0.0297 0.0818 0.0818 0.0922 0.0922 5.2002 5.2002 6.4109 6.4109 9.3678 9.3678 9.8454 9.8454 9.9866 9.9866 12.9945 12.9945 k = 0.0526 0.5000-0.0000 ( 1994 PWs) bands (ev): -20.0179 -20.0179 -6.6813 -6.6813 -4.8186 -4.8186 -4.4523 -4.4523 -0.6468 -0.6468 -0.6008 -0.6008 0.0298 0.0298 0.0808 0.0808 0.0921 0.0921 5.1970 5.1970 6.4300 6.4300 9.3813 9.3813 9.8355 9.8355 9.9880 9.9880 12.9634 12.9634 k = 0.0658 0.5000-0.0000 ( 1994 PWs) bands (ev): -20.0175 -20.0175 -6.6820 -6.6820 -4.8191 -4.8191 -4.4556 -4.4556 -0.6468 -0.6468 -0.6014 -0.6014 0.0300 0.0300 0.0796 0.0796 0.0921 0.0921 5.1928 5.1928 6.4544 6.4544 9.3984 9.3984 9.8199 9.8199 9.9934 9.9934 12.9247 12.9247 k = 0.0789 0.5000-0.0000 ( 1994 PWs) bands (ev): -20.0170 -20.0170 -6.6830 -6.6830 -4.8197 -4.8197 -4.4594 -4.4594 -0.6468 -0.6468 -0.6021 -0.6021 0.0302 0.0302 0.0781 0.0781 0.0920 0.0920 5.1878 5.1878 6.4840 6.4840 9.4191 9.4191 9.7983 9.7983 10.0037 10.0037 12.8795 12.8795 k = 0.0921 0.5000-0.0000 ( 1994 PWs) bands (ev): -20.0164 -20.0164 -6.6841 -6.6841 -4.8206 -4.8206 -4.4637 -4.4637 -0.6468 -0.6468 -0.6030 -0.6030 0.0305 0.0305 0.0764 0.0764 0.0920 0.0920 5.1820 5.1820 6.5186 6.5186 9.4431 9.4431 9.7710 9.7710 10.0189 10.0189 12.8286 12.8286 k = 0.1053 0.5000-0.0000 ( 1990 PWs) bands (ev): -20.0157 -20.0157 -6.6854 -6.6854 -4.8216 -4.8216 -4.4685 -4.4685 -0.6469 -0.6469 -0.6040 -0.6040 0.0307 0.0307 0.0744 0.0744 0.0920 0.0920 5.1753 5.1753 6.5582 6.5582 9.4702 9.4702 9.7392 9.7392 10.0385 10.0385 12.7730 12.7730 k = 0.1184 0.5000-0.0000 ( 1990 PWs) bands (ev): -20.0149 -20.0149 -6.6868 -6.6868 -4.8228 -4.8228 -4.4736 -4.4736 -0.6469 -0.6469 -0.6050 -0.6050 0.0310 0.0310 0.0723 0.0723 0.0920 0.0920 5.1679 5.1679 6.6026 6.6026 9.4999 9.4999 9.7040 9.7040 10.0623 10.0623 12.7137 12.7137 k = 0.1316 0.5000-0.0000 ( 1990 PWs) bands (ev): -20.0140 -20.0140 -6.6884 -6.6884 -4.8243 -4.8243 -4.4790 -4.4790 -0.6470 -0.6470 -0.6062 -0.6062 0.0313 0.0313 0.0699 0.0699 0.0921 0.0921 5.1598 5.1598 6.6516 6.6516 9.5314 9.5314 9.6666 9.6666 10.0898 10.0898 12.6514 12.6514 k = 0.1447 0.5000-0.0000 ( 1988 PWs) bands (ev): -20.0131 -20.0131 -6.6902 -6.6902 -4.8261 -4.8261 -4.4845 -4.4845 -0.6471 -0.6471 -0.6075 -0.6075 0.0316 0.0316 0.0673 0.0673 0.0922 0.0922 5.1511 5.1511 6.7049 6.7049 9.5619 9.5619 9.6304 9.6304 10.1209 10.1209 12.5870 12.5870 k = 0.1579 0.5000-0.0000 ( 1984 PWs) bands (ev): -20.0121 -20.0121 -6.6922 -6.6922 -4.8282 -4.8282 -4.4902 -4.4902 -0.6472 -0.6472 -0.6088 -0.6088 0.0319 0.0319 0.0646 0.0646 0.0924 0.0924 5.1417 5.1417 6.7625 6.7625 9.5664 9.5664 9.6206 9.6206 10.1552 10.1552 12.5212 12.5212 k = 0.1711 0.5000-0.0000 ( 1984 PWs) bands (ev): -20.0111 -20.0111 -6.6942 -6.6942 -4.8306 -4.8306 -4.4957 -4.4957 -0.6474 -0.6474 -0.6102 -0.6102 0.0322 0.0322 0.0618 0.0618 0.0926 0.0926 5.1318 5.1318 6.8241 6.8241 9.5312 9.5312 9.6508 9.6508 10.1927 10.1927 12.4546 12.4546 k = 0.1842 0.5000-0.0000 ( 1988 PWs) bands (ev): -20.0100 -20.0100 -6.6965 -6.6965 -4.8334 -4.8334 -4.5012 -4.5012 -0.6476 -0.6476 -0.6117 -0.6117 0.0325 0.0325 0.0589 0.0589 0.0929 0.0929 5.1214 5.1214 6.8894 6.8894 9.4893 9.4893 9.6880 9.6880 10.2331 10.2331 12.3878 12.3878 k = 0.1974 0.5000-0.0000 ( 1984 PWs) bands (ev): -20.0089 -20.0089 -6.6988 -6.6988 -4.8365 -4.8365 -4.5065 -4.5065 -0.6478 -0.6478 -0.6132 -0.6132 0.0327 0.0327 0.0558 0.0558 0.0934 0.0934 5.1106 5.1106 6.9583 6.9583 9.4464 9.4464 9.7264 9.7264 10.2764 10.2764 12.3213 12.3213 k = 0.2105 0.5000-0.0000 ( 1988 PWs) bands (ev): -20.0078 -20.0078 -6.7013 -6.7013 -4.8400 -4.8400 -4.5114 -4.5114 -0.6481 -0.6481 -0.6148 -0.6148 0.0329 0.0329 0.0528 0.0528 0.0939 0.0939 5.0995 5.0995 7.0305 7.0305 9.4034 9.4034 9.7644 9.7644 10.3225 10.3225 12.2555 12.2555 k = 0.2237 0.5000-0.0000 ( 1986 PWs) bands (ev): -20.0066 -20.0066 -6.7039 -6.7039 -4.8439 -4.8439 -4.5161 -4.5161 -0.6484 -0.6484 -0.6163 -0.6163 0.0330 0.0330 0.0496 0.0496 0.0945 0.0945 5.0881 5.0881 7.1059 7.1059 9.3611 9.3611 9.8011 9.8011 10.3712 10.3712 12.1909 12.1909 k = 0.2368 0.5000-0.0000 ( 1990 PWs) bands (ev): -20.0054 -20.0054 -6.7066 -6.7066 -4.8481 -4.8481 -4.5203 -4.5203 -0.6488 -0.6488 -0.6179 -0.6179 0.0331 0.0331 0.0465 0.0465 0.0953 0.0953 5.0765 5.0765 7.1842 7.1842 9.3196 9.3196 9.8353 9.8353 10.4224 10.4224 12.1278 12.1278 k = 0.2500 0.5000-0.0000 ( 1998 PWs) bands (ev): -20.0042 -20.0042 -6.7094 -6.7094 -4.8526 -4.8526 -4.5242 -4.5242 -0.6493 -0.6493 -0.6195 -0.6195 0.0331 0.0331 0.0434 0.0434 0.0961 0.0961 5.0648 5.0648 7.2651 7.2651 9.2793 9.2793 9.8660 9.8660 10.4759 10.4759 12.0664 12.0664 k = 0.2632 0.5000-0.0000 ( 1998 PWs) bands (ev): -20.0030 -20.0030 -6.7122 -6.7122 -4.8573 -4.8573 -4.5276 -4.5276 -0.6498 -0.6498 -0.6210 -0.6210 0.0330 0.0330 0.0403 0.0403 0.0970 0.0970 5.0531 5.0531 7.3485 7.3485 9.2404 9.2404 9.8922 9.8922 10.5316 10.5316 12.0070 12.0070 k = 0.2763 0.5000-0.0000 ( 1998 PWs) bands (ev): -20.0018 -20.0018 -6.7151 -6.7151 -4.8623 -4.8623 -4.5305 -4.5305 -0.6503 -0.6503 -0.6225 -0.6225 0.0327 0.0327 0.0374 0.0374 0.0981 0.0981 5.0414 5.0414 7.4342 7.4342 9.2032 9.2032 9.9129 9.9129 10.5894 10.5894 11.9499 11.9499 k = 0.2895 0.5000-0.0000 ( 2002 PWs) bands (ev): -20.0006 -20.0006 -6.7180 -6.7180 -4.8675 -4.8675 -4.5331 -4.5331 -0.6509 -0.6509 -0.6240 -0.6240 0.0320 0.0320 0.0349 0.0349 0.0992 0.0992 5.0298 5.0298 7.5218 7.5218 9.1676 9.1676 9.9270 9.9270 10.6489 10.6489 11.8953 11.8953 k = 0.3026 0.5000-0.0000 ( 1998 PWs) bands (ev): -19.9994 -19.9994 -6.7209 -6.7209 -4.8727 -4.8727 -4.5352 -4.5352 -0.6515 -0.6515 -0.6254 -0.6254 0.0302 0.0302 0.0336 0.0336 0.1004 0.1004 5.0185 5.0185 7.6114 7.6114 9.1339 9.1339 9.9337 9.9337 10.7100 10.7100 11.8432 11.8432 k = 0.3158 0.5000-0.0000 ( 1992 PWs) bands (ev): -19.9983 -19.9983 -6.7238 -6.7238 -4.8780 -4.8780 -4.5369 -4.5369 -0.6522 -0.6522 -0.6267 -0.6267 0.0276 0.0276 0.0330 0.0330 0.1016 0.1016 5.0074 5.0074 7.7025 7.7025 9.1022 9.1022 9.9323 9.9323 10.7724 10.7724 11.7940 11.7940 k = 0.3289 0.5000-0.0000 ( 1996 PWs) bands (ev): -19.9972 -19.9972 -6.7266 -6.7266 -4.8833 -4.8833 -4.5383 -4.5383 -0.6529 -0.6529 -0.6280 -0.6280 0.0250 0.0250 0.0326 0.0326 0.1028 0.1028 4.9968 4.9968 7.7950 7.7950 9.0725 9.0725 9.9221 9.9221 10.8358 10.8358 11.7477 11.7477 k = 0.3421 0.5000-0.0000 ( 1996 PWs) bands (ev): -19.9962 -19.9962 -6.7294 -6.7294 -4.8884 -4.8884 -4.5394 -4.5394 -0.6536 -0.6536 -0.6292 -0.6292 0.0224 0.0224 0.0323 0.0323 0.1041 0.1041 4.9865 4.9865 7.8887 7.8887 9.0450 9.0450 9.9031 9.9031 10.8999 10.8999 11.7044 11.7044 k = 0.3553 0.5000-0.0000 ( 2002 PWs) bands (ev): -19.9952 -19.9952 -6.7320 -6.7320 -4.8934 -4.8934 -4.5402 -4.5402 -0.6543 -0.6543 -0.6303 -0.6303 0.0200 0.0200 0.0319 0.0319 0.1053 0.1053 4.9768 4.9768 7.9833 7.9833 9.0196 9.0196 9.8752 9.8752 10.9641 10.9641 11.6643 11.6643 k = 0.3684 0.5000-0.0000 ( 1994 PWs) bands (ev): -19.9943 -19.9943 -6.7345 -6.7345 -4.8981 -4.8981 -4.5408 -4.5408 -0.6550 -0.6550 -0.6314 -0.6314 0.0177 0.0177 0.0316 0.0316 0.1066 0.1066 4.9677 4.9677 8.0786 8.0786 8.9964 8.9964 9.8386 9.8386 11.0281 11.0281 11.6275 11.6275 k = 0.3816 0.5000-0.0000 ( 1996 PWs) bands (ev): -19.9934 -19.9934 -6.7369 -6.7369 -4.9026 -4.9026 -4.5412 -4.5412 -0.6556 -0.6556 -0.6323 -0.6323 0.0156 0.0156 0.0312 0.0312 0.1077 0.1077 4.9593 4.9593 8.1743 8.1743 8.9754 8.9754 9.7940 9.7940 11.0910 11.0910 11.5940 11.5940 k = 0.3947 0.5000-0.0000 ( 1994 PWs) bands (ev): -19.9926 -19.9926 -6.7391 -6.7391 -4.9068 -4.9068 -4.5414 -4.5414 -0.6563 -0.6563 -0.6331 -0.6331 0.0137 0.0137 0.0309 0.0309 0.1088 0.1088 4.9515 4.9515 8.2700 8.2700 8.9567 8.9567 9.7420 9.7420 11.1522 11.1522 11.5639 11.5639 k = 0.4079 0.5000-0.0000 ( 1990 PWs) bands (ev): -19.9919 -19.9919 -6.7411 -6.7411 -4.9105 -4.9105 -4.5415 -4.5415 -0.6569 -0.6569 -0.6339 -0.6339 0.0120 0.0120 0.0306 0.0306 0.1099 0.1099 4.9445 4.9445 8.3654 8.3654 8.9404 8.9404 9.6834 9.6834 11.2108 11.2108 11.5373 11.5373 k = 0.4211 0.5000-0.0000 ( 1994 PWs) bands (ev): -19.9913 -19.9913 -6.7429 -6.7429 -4.9139 -4.9139 -4.5415 -4.5415 -0.6574 -0.6574 -0.6345 -0.6345 0.0104 0.0104 0.0303 0.0303 0.1108 0.1108 4.9384 4.9384 8.4596 8.4596 8.9265 8.9265 9.6194 9.6194 11.2655 11.2655 11.5144 11.5144 k = 0.4342 0.5000-0.0000 ( 1994 PWs) bands (ev): -19.9908 -19.9908 -6.7444 -6.7444 -4.9167 -4.9167 -4.5415 -4.5415 -0.6579 -0.6579 -0.6351 -0.6351 0.0091 0.0091 0.0300 0.0300 0.1116 0.1116 4.9331 4.9331 8.5519 8.5519 8.9152 8.9152 9.5512 9.5512 11.3150 11.3150 11.4953 11.4953 k = 0.4474 0.5000-0.0000 ( 1986 PWs) bands (ev): -19.9903 -19.9903 -6.7457 -6.7457 -4.9191 -4.9191 -4.5414 -4.5414 -0.6583 -0.6583 -0.6355 -0.6355 0.0081 0.0081 0.0298 0.0298 0.1123 0.1123 4.9288 4.9288 8.6405 8.6405 8.9070 8.9070 9.4806 9.4806 11.3577 11.3577 11.4804 11.4804 k = 0.4605 0.5000-0.0000 ( 1990 PWs) bands (ev): -19.9900 -19.9900 -6.7467 -6.7467 -4.9210 -4.9210 -4.5414 -4.5414 -0.6586 -0.6586 -0.6359 -0.6359 0.0072 0.0072 0.0297 0.0297 0.1128 0.1128 4.9253 4.9253 8.7223 8.7223 8.9029 8.9029 9.4101 9.4101 11.3915 11.3915 11.4702 11.4702 k = 0.4737 0.5000-0.0000 ( 1992 PWs) bands (ev): -19.9897 -19.9897 -6.7475 -6.7475 -4.9224 -4.9224 -4.5413 -4.5413 -0.6589 -0.6589 -0.6361 -0.6361 0.0066 0.0066 0.0295 0.0295 0.1132 0.1132 4.9229 4.9229 8.7897 8.7897 8.9060 8.9060 9.3444 9.3444 11.4138 11.4138 11.4661 11.4661 k = 0.4868 0.5000-0.0000 ( 2000 PWs) bands (ev): -19.9896 -19.9896 -6.7479 -6.7479 -4.9232 -4.9232 -4.5413 -4.5413 -0.6590 -0.6590 -0.6363 -0.6363 0.0062 0.0062 0.0295 0.0295 0.1135 0.1135 4.9214 4.9214 8.8298 8.8298 8.9201 8.9201 9.2930 9.2930 11.4237 11.4237 11.4675 11.4675 k = 0.5000 0.5000-0.0000 ( 2000 PWs) bands (ev): -19.9895 -19.9895 -6.7480 -6.7480 -4.9235 -4.9235 -4.5412 -4.5412 -0.6591 -0.6591 -0.6363 -0.6363 0.0061 0.0061 0.0294 0.0294 0.1135 0.1135 4.9209 4.9209 8.8406 8.8406 8.9309 8.9309 9.2722 9.2722 11.4260 11.4260 11.4692 11.4692 k = 0.5000 0.5000-0.0000 ( 2000 PWs) bands (ev): -19.9895 -19.9895 -6.7480 -6.7480 -4.9235 -4.9235 -4.5412 -4.5412 -0.6591 -0.6591 -0.6363 -0.6363 0.0061 0.0061 0.0294 0.0294 0.1135 0.1135 4.9209 4.9209 8.8406 8.8406 8.9309 8.9309 9.2722 9.2722 11.4260 11.4260 11.4692 11.4692 k = 0.4906 0.4906-0.0000 ( 2000 PWs) bands (ev): -19.9896 -19.9896 -6.7479 -6.7479 -4.9232 -4.9232 -4.5413 -4.5413 -0.6590 -0.6590 -0.6363 -0.6363 0.0062 0.0062 0.0295 0.0295 0.1134 0.1134 4.9214 4.9214 8.8296 8.8296 8.9196 8.9196 9.2936 9.2936 11.4238 11.4238 11.4673 11.4673 k = 0.4811 0.4811-0.0000 ( 1999 PWs) bands (ev): -19.9897 -19.9897 -6.7474 -6.7474 -4.9223 -4.9223 -4.5413 -4.5413 -0.6589 -0.6589 -0.6361 -0.6361 0.0066 0.0066 0.0295 0.0295 0.1132 0.1132 4.9229 4.9229 8.7903 8.7903 8.9033 8.9033 9.3465 9.3465 11.4153 11.4153 11.4640 11.4640 k = 0.4717 0.4717-0.0000 ( 1985 PWs) bands (ev): -19.9900 -19.9900 -6.7467 -6.7467 -4.9209 -4.9209 -4.5414 -4.5414 -0.6586 -0.6586 -0.6359 -0.6359 0.0072 0.0072 0.0297 0.0297 0.1128 0.1128 4.9253 4.9253 8.7250 8.7250 8.8961 8.8961 9.4143 9.4143 11.3973 11.3973 11.4634 11.4634 k = 0.4623 0.4623-0.0000 ( 1983 PWs) bands (ev): -19.9903 -19.9903 -6.7456 -6.7456 -4.9190 -4.9190 -4.5415 -4.5415 -0.6583 -0.6583 -0.6355 -0.6355 0.0081 0.0081 0.0298 0.0298 0.1122 0.1122 4.9284 4.9284 8.6471 8.6471 8.8945 8.8945 9.4875 9.4875 11.3695 11.3695 11.4668 11.4668 k = 0.4528 0.4528-0.0000 ( 1987 PWs) bands (ev): -19.9908 -19.9908 -6.7442 -6.7442 -4.9164 -4.9164 -4.5416 -4.5416 -0.6579 -0.6579 -0.6351 -0.6351 0.0092 0.0092 0.0301 0.0301 0.1115 0.1115 4.9320 4.9320 8.5641 8.5641 8.8955 8.8955 9.5616 9.5616 11.3342 11.3342 11.4732 11.4732 k = 0.4434 0.4434-0.0000 ( 1987 PWs) bands (ev): -19.9914 -19.9914 -6.7426 -6.7426 -4.9133 -4.9133 -4.5417 -4.5417 -0.6574 -0.6574 -0.6346 -0.6346 0.0105 0.0105 0.0303 0.0303 0.1106 0.1106 4.9359 4.9359 8.4799 8.4799 8.8978 8.8978 9.6342 9.6342 11.2935 11.2935 11.4821 11.4821 k = 0.4340 0.4340-0.0000 ( 1987 PWs) bands (ev): -19.9920 -19.9920 -6.7406 -6.7406 -4.9096 -4.9096 -4.5418 -4.5418 -0.6568 -0.6568 -0.6340 -0.6340 0.0120 0.0120 0.0306 0.0306 0.1096 0.1096 4.9397 4.9397 8.3966 8.3966 8.9010 8.9010 9.7038 9.7038 11.2491 11.2491 11.4932 11.4932 k = 0.4245 0.4245-0.0000 ( 1981 PWs) bands (ev): -19.9928 -19.9928 -6.7384 -6.7384 -4.9054 -4.9054 -4.5420 -4.5420 -0.6562 -0.6562 -0.6333 -0.6333 0.0137 0.0137 0.0310 0.0310 0.1084 0.1084 4.9429 4.9429 8.3157 8.3157 8.9050 8.9050 9.7694 9.7694 11.2024 11.2024 11.5062 11.5062 k = 0.4151 0.4151-0.0000 ( 1989 PWs) bands (ev): -19.9936 -19.9936 -6.7358 -6.7358 -4.9006 -4.9006 -4.5421 -4.5421 -0.6555 -0.6555 -0.6327 -0.6327 0.0156 0.0156 0.0314 0.0314 0.1071 0.1071 4.9452 4.9452 8.2384 8.2384 8.9095 8.9095 9.8305 9.8305 11.1545 11.1545 11.5210 11.5210 k = 0.4057 0.4057-0.0000 ( 1993 PWs) bands (ev): -19.9945 -19.9945 -6.7330 -6.7330 -4.8953 -4.8953 -4.5422 -4.5422 -0.6548 -0.6548 -0.6319 -0.6319 0.0176 0.0176 0.0318 0.0318 0.1056 0.1056 4.9459 4.9459 8.1657 8.1657 8.9144 8.9144 9.8864 9.8864 11.1065 11.1065 11.5377 11.5377 k = 0.3962 0.3962-0.0000 ( 1993 PWs) bands (ev): -19.9956 -19.9956 -6.7299 -6.7299 -4.8894 -4.8894 -4.5422 -4.5422 -0.6540 -0.6540 -0.6312 -0.6312 0.0197 0.0197 0.0323 0.0323 0.1040 0.1040 4.9445 4.9445 8.0987 8.0987 8.9197 8.9197 9.9368 9.9368 11.0591 11.0591 11.5561 11.5561 k = 0.3868 0.3868-0.0000 ( 1989 PWs) bands (ev): -19.9967 -19.9967 -6.7265 -6.7265 -4.8830 -4.8830 -4.5422 -4.5422 -0.6532 -0.6532 -0.6304 -0.6304 0.0218 0.0218 0.0328 0.0328 0.1023 0.1023 4.9405 4.9405 8.0382 8.0382 8.9253 8.9253 9.9814 9.9814 11.0131 11.0131 11.5763 11.5763 k = 0.3774 0.3774-0.0000 ( 2001 PWs) bands (ev): -19.9979 -19.9979 -6.7229 -6.7229 -4.8760 -4.8760 -4.5422 -4.5422 -0.6525 -0.6525 -0.6297 -0.6297 0.0240 0.0240 0.0334 0.0334 0.1004 0.1004 4.9331 4.9331 7.9852 7.9852 8.9311 8.9311 10.0201 10.0201 10.9689 10.9689 11.5981 11.5981 k = 0.3679 0.3679-0.0000 ( 1995 PWs) bands (ev): -19.9991 -19.9991 -6.7190 -6.7190 -4.8685 -4.8685 -4.5421 -4.5421 -0.6517 -0.6517 -0.6290 -0.6290 0.0261 0.0261 0.0342 0.0342 0.0985 0.0985 4.9219 4.9219 7.9404 7.9404 8.9371 8.9371 10.0529 10.0529 10.9270 10.9270 11.6216 11.6216 k = 0.3585 0.3585-0.0000 ( 2003 PWs) bands (ev): -20.0005 -20.0005 -6.7149 -6.7149 -4.8605 -4.8605 -4.5419 -4.5419 -0.6509 -0.6509 -0.6283 -0.6283 0.0280 0.0280 0.0353 0.0353 0.0964 0.0964 4.9063 4.9063 7.9044 7.9044 8.9431 8.9431 10.0796 10.0796 10.8879 10.8879 11.6468 11.6468 k = 0.3491 0.3491-0.0000 ( 2007 PWs) bands (ev): -20.0019 -20.0019 -6.7105 -6.7105 -4.8519 -4.8519 -4.5416 -4.5416 -0.6502 -0.6502 -0.6277 -0.6277 0.0294 0.0294 0.0367 0.0367 0.0942 0.0942 4.8858 4.8858 7.8780 7.8780 8.9491 8.9491 10.1006 10.1006 10.8517 10.8517 11.6736 11.6736 k = 0.3396 0.3396-0.0000 ( 2007 PWs) bands (ev): -20.0033 -20.0033 -6.7059 -6.7059 -4.8429 -4.8429 -4.5412 -4.5412 -0.6495 -0.6495 -0.6271 -0.6271 0.0305 0.0305 0.0385 0.0385 0.0920 0.0920 4.8602 4.8602 7.8615 7.8615 8.9550 8.9550 10.1158 10.1158 10.8189 10.8189 11.7019 11.7019 k = 0.3302 0.3302-0.0000 ( 2005 PWs) bands (ev): -20.0048 -20.0048 -6.7011 -6.7011 -4.8334 -4.8334 -4.5407 -4.5407 -0.6489 -0.6489 -0.6266 -0.6266 0.0312 0.0312 0.0406 0.0406 0.0896 0.0896 4.8292 4.8292 7.8553 7.8553 8.9608 8.9608 10.1256 10.1256 10.7896 10.7896 11.7318 11.7318 k = 0.3208 0.3208-0.0000 ( 2007 PWs) bands (ev): -20.0064 -20.0064 -6.6960 -6.6960 -4.8234 -4.8234 -4.5401 -4.5401 -0.6483 -0.6483 -0.6262 -0.6262 0.0317 0.0317 0.0429 0.0429 0.0872 0.0872 4.7928 4.7928 7.8593 7.8593 8.9664 8.9664 10.1304 10.1304 10.7640 10.7640 11.7632 11.7632 k = 0.3113 0.3113-0.0000 ( 2003 PWs) bands (ev): -20.0080 -20.0080 -6.6908 -6.6908 -4.8129 -4.8129 -4.5394 -4.5394 -0.6478 -0.6478 -0.6260 -0.6260 0.0319 0.0319 0.0452 0.0452 0.0847 0.0847 4.7511 4.7511 7.8735 7.8735 8.9717 8.9717 10.1306 10.1306 10.7422 10.7422 11.7960 11.7960 k = 0.3019 0.3019-0.0000 ( 1993 PWs) bands (ev): -20.0097 -20.0097 -6.6855 -6.6855 -4.8021 -4.8021 -4.5385 -4.5385 -0.6474 -0.6474 -0.6258 -0.6258 0.0321 0.0321 0.0476 0.0476 0.0822 0.0822 4.7043 4.7043 7.8975 7.8975 8.9766 8.9766 10.1267 10.1267 10.7245 10.7245 11.8302 11.8302 k = 0.2925 0.2925-0.0000 ( 1985 PWs) bands (ev): -20.0114 -20.0114 -6.6799 -6.6799 -4.7908 -4.7908 -4.5375 -4.5375 -0.6470 -0.6470 -0.6258 -0.6258 0.0321 0.0321 0.0499 0.0499 0.0797 0.0797 4.6529 4.6529 7.9311 7.9311 8.9812 8.9812 10.1194 10.1194 10.7108 10.7108 11.8658 11.8658 k = 0.2830 0.2830-0.0000 ( 1989 PWs) bands (ev): -20.0131 -20.0131 -6.6742 -6.6742 -4.7791 -4.7791 -4.5363 -4.5363 -0.6467 -0.6467 -0.6259 -0.6259 0.0320 0.0320 0.0521 0.0521 0.0771 0.0771 4.5972 4.5972 7.9735 7.9735 8.9853 8.9853 10.1091 10.1091 10.7014 10.7014 11.9026 11.9026 k = 0.2736 0.2736-0.0000 ( 1989 PWs) bands (ev): -20.0148 -20.0148 -6.6684 -6.6684 -4.7671 -4.7671 -4.5350 -4.5350 -0.6465 -0.6465 -0.6261 -0.6261 0.0318 0.0318 0.0541 0.0541 0.0745 0.0745 4.5378 4.5378 8.0240 8.0240 8.9890 8.9890 10.0968 10.0968 10.6962 10.6962 11.9407 11.9407 k = 0.2642 0.2642-0.0000 ( 1979 PWs) bands (ev): -20.0166 -20.0166 -6.6625 -6.6625 -4.7548 -4.7548 -4.5336 -4.5336 -0.6464 -0.6464 -0.6265 -0.6265 0.0315 0.0315 0.0559 0.0559 0.0721 0.0721 4.4752 4.4752 8.0819 8.0819 8.9922 8.9922 10.0832 10.0832 10.6954 10.6954 11.9799 11.9799 k = 0.2547 0.2547-0.0000 ( 1979 PWs) bands (ev): -20.0184 -20.0184 -6.6566 -6.6566 -4.7422 -4.7422 -4.5320 -4.5320 -0.6464 -0.6464 -0.6271 -0.6271 0.0311 0.0311 0.0573 0.0573 0.0699 0.0699 4.4100 4.4100 8.1462 8.1462 8.9948 8.9948 10.0691 10.0691 10.6990 10.6990 12.0201 12.0201 k = 0.2453 0.2453-0.0000 ( 1979 PWs) bands (ev): -20.0201 -20.0201 -6.6505 -6.6505 -4.7294 -4.7294 -4.5303 -4.5303 -0.6465 -0.6465 -0.6278 -0.6278 0.0307 0.0307 0.0581 0.0581 0.0681 0.0681 4.3428 4.3428 8.2159 8.2159 8.9969 8.9969 10.0557 10.0557 10.7071 10.7071 12.0613 12.0613 k = 0.2358 0.2358-0.0000 ( 1977 PWs) bands (ev): -20.0219 -20.0219 -6.6444 -6.6444 -4.7163 -4.7163 -4.5284 -4.5284 -0.6466 -0.6466 -0.6286 -0.6286 0.0302 0.0302 0.0579 0.0579 0.0672 0.0672 4.2741 4.2741 8.2897 8.2897 8.9985 8.9985 10.0439 10.0439 10.7196 10.7196 12.1034 12.1034 k = 0.2264 0.2264-0.0000 ( 1979 PWs) bands (ev): -20.0237 -20.0237 -6.6383 -6.6383 -4.7031 -4.7031 -4.5265 -4.5265 -0.6469 -0.6469 -0.6295 -0.6295 0.0296 0.0296 0.0566 0.0566 0.0673 0.0673 4.2045 4.2045 8.3663 8.3663 8.9995 8.9995 10.0351 10.0351 10.7367 10.7367 12.1461 12.1461 k = 0.2170 0.2170-0.0000 ( 1987 PWs) bands (ev): -20.0255 -20.0255 -6.6322 -6.6322 -4.6898 -4.6898 -4.5244 -4.5244 -0.6472 -0.6472 -0.6306 -0.6306 0.0289 0.0289 0.0545 0.0545 0.0679 0.0679 4.1345 4.1345 8.4444 8.4444 9.0001 9.0001 10.0306 10.0306 10.7583 10.7583 12.1894 12.1894 k = 0.2075 0.2075-0.0000 ( 1995 PWs) bands (ev): -20.0272 -20.0272 -6.6261 -6.6261 -4.6764 -4.6764 -4.5221 -4.5221 -0.6476 -0.6476 -0.6319 -0.6319 0.0282 0.0282 0.0521 0.0521 0.0687 0.0687 4.0645 4.0645 8.5220 8.5220 9.0001 9.0001 10.0320 10.0320 10.7843 10.7843 12.2331 12.2331 k = 0.1981 0.1981-0.0000 ( 1993 PWs) bands (ev): -20.0289 -20.0289 -6.6201 -6.6201 -4.6630 -4.6630 -4.5198 -4.5198 -0.6481 -0.6481 -0.6332 -0.6332 0.0274 0.0274 0.0496 0.0496 0.0696 0.0696 3.9949 3.9949 8.5975 8.5975 8.9997 8.9997 10.0411 10.0411 10.8149 10.8149 12.2766 12.2766 k = 0.1887 0.1887-0.0000 ( 1991 PWs) bands (ev): -20.0306 -20.0306 -6.6142 -6.6142 -4.6496 -4.6496 -4.5175 -4.5175 -0.6487 -0.6487 -0.6347 -0.6347 0.0266 0.0266 0.0469 0.0469 0.0704 0.0704 3.9263 3.9263 8.6688 8.6688 8.9989 8.9989 10.0598 10.0598 10.8499 10.8499 12.3188 12.3188 k = 0.1792 0.1792-0.0000 ( 1991 PWs) bands (ev): -20.0323 -20.0323 -6.6083 -6.6083 -4.6363 -4.6363 -4.5150 -4.5150 -0.6493 -0.6493 -0.6362 -0.6362 0.0257 0.0257 0.0443 0.0443 0.0712 0.0712 3.8588 3.8588 8.7340 8.7340 8.9978 8.9978 10.0898 10.0898 10.8894 10.8894 12.3498 12.3498 k = 0.1698 0.1698-0.0000 ( 1991 PWs) bands (ev): -20.0339 -20.0339 -6.6026 -6.6026 -4.6232 -4.6232 -4.5125 -4.5125 -0.6500 -0.6500 -0.6378 -0.6378 0.0249 0.0249 0.0417 0.0417 0.0718 0.0718 3.7930 3.7930 8.7913 8.7913 8.9964 8.9964 10.1326 10.1326 10.9332 10.9332 12.3399 12.3399 k = 0.1604 0.1604-0.0000 ( 1991 PWs) bands (ev): -20.0354 -20.0354 -6.5970 -6.5970 -4.6103 -4.6103 -4.5100 -4.5100 -0.6507 -0.6507 -0.6395 -0.6395 0.0239 0.0239 0.0391 0.0391 0.0723 0.0723 3.7290 3.7290 8.8395 8.8395 8.9948 8.9948 10.1892 10.1892 10.9814 10.9814 12.3165 12.3165 k = 0.1509 0.1509-0.0000 ( 1983 PWs) bands (ev): -20.0369 -20.0369 -6.5916 -6.5916 -4.5977 -4.5977 -4.5075 -4.5075 -0.6514 -0.6514 -0.6412 -0.6412 0.0230 0.0230 0.0365 0.0365 0.0727 0.0727 3.6673 3.6673 8.8782 8.8782 8.9932 8.9932 10.2597 10.2597 11.0339 11.0339 12.2929 12.2929 k = 0.1415 0.1415-0.0000 ( 1987 PWs) bands (ev): -20.0383 -20.0383 -6.5864 -6.5864 -4.5854 -4.5854 -4.5050 -4.5050 -0.6522 -0.6522 -0.6430 -0.6430 0.0221 0.0221 0.0340 0.0340 0.0730 0.0730 3.6080 3.6080 8.9074 8.9074 8.9915 8.9915 10.3437 10.3437 11.0906 11.0906 12.2708 12.2708 k = 0.1321 0.1321-0.0000 ( 1989 PWs) bands (ev): -20.0397 -20.0397 -6.5814 -6.5814 -4.5735 -4.5735 -4.5025 -4.5025 -0.6530 -0.6530 -0.6447 -0.6447 0.0211 0.0211 0.0316 0.0316 0.0732 0.0732 3.5514 3.5514 8.9281 8.9281 8.9899 8.9899 10.4398 10.4398 11.1515 11.1515 12.2503 12.2503 k = 0.1226 0.1226-0.0000 ( 1989 PWs) bands (ev): -20.0410 -20.0410 -6.5767 -6.5767 -4.5621 -4.5621 -4.5000 -4.5000 -0.6538 -0.6538 -0.6465 -0.6465 0.0202 0.0202 0.0293 0.0293 0.0733 0.0733 3.4978 3.4978 8.9416 8.9416 8.9883 8.9883 10.5463 10.5463 11.2165 11.2165 12.2318 12.2318 k = 0.1132 0.1132-0.0000 ( 1977 PWs) bands (ev): -20.0422 -20.0422 -6.5722 -6.5722 -4.5512 -4.5512 -4.4977 -4.4977 -0.6546 -0.6546 -0.6482 -0.6482 0.0193 0.0193 0.0271 0.0271 0.0734 0.0734 3.4474 3.4474 8.9495 8.9495 8.9865 8.9865 10.6612 10.6612 11.2856 11.2856 12.2153 12.2153 k = 0.1038 0.1038-0.0000 ( 1985 PWs) bands (ev): -20.0434 -20.0434 -6.5679 -6.5679 -4.5409 -4.5409 -4.4954 -4.4954 -0.6554 -0.6554 -0.6499 -0.6499 0.0184 0.0184 0.0250 0.0250 0.0734 0.0734 3.4003 3.4003 8.9535 8.9535 8.9842 8.9842 10.7822 10.7822 11.3589 11.3589 12.2010 12.2010 k = 0.0943 0.0943-0.0000 ( 1981 PWs) bands (ev): -20.0444 -20.0444 -6.5640 -6.5640 -4.5312 -4.5312 -4.4933 -4.4933 -0.6561 -0.6561 -0.6515 -0.6515 0.0176 0.0176 0.0231 0.0231 0.0733 0.0733 3.3567 3.3567 8.9550 8.9550 8.9811 8.9811 10.9071 10.9071 11.4363 11.4363 12.1893 12.1893 k = 0.0849 0.0849-0.0000 ( 1981 PWs) bands (ev): -20.0454 -20.0454 -6.5604 -6.5604 -4.5223 -4.5223 -4.4913 -4.4913 -0.6568 -0.6568 -0.6530 -0.6530 0.0168 0.0168 0.0213 0.0213 0.0732 0.0732 3.3168 3.3168 8.9550 8.9550 8.9772 8.9772 11.0334 11.0334 11.5181 11.5181 12.1804 12.1804 k = 0.0755 0.0755-0.0000 ( 1977 PWs) bands (ev): -20.0463 -20.0463 -6.5572 -6.5572 -4.5141 -4.5141 -4.4894 -4.4894 -0.6575 -0.6575 -0.6544 -0.6544 0.0161 0.0161 0.0196 0.0196 0.0731 0.0731 3.2807 3.2807 8.9543 8.9543 8.9728 8.9728 11.1580 11.1580 11.6046 11.6046 12.1748 12.1748 k = 0.0660 0.0660-0.0000 ( 1977 PWs) bands (ev): -20.0471 -20.0471 -6.5542 -6.5542 -4.5068 -4.5068 -4.4877 -4.4877 -0.6581 -0.6581 -0.6557 -0.6557 0.0154 0.0154 0.0181 0.0181 0.0729 0.0729 3.2486 3.2486 8.9531 8.9531 8.9680 8.9680 11.2777 11.2777 11.6960 11.6960 12.1732 12.1732 k = 0.0566 0.0566-0.0000 ( 1969 PWs) bands (ev): -20.0477 -20.0477 -6.5517 -6.5517 -4.5003 -4.5003 -4.4862 -4.4862 -0.6586 -0.6586 -0.6569 -0.6569 0.0148 0.0148 0.0168 0.0168 0.0728 0.0728 3.2205 3.2205 8.9518 8.9518 8.9633 8.9633 11.3887 11.3887 11.7924 11.7924 12.1763 12.1763 k = 0.0472 0.0472-0.0000 ( 1965 PWs) bands (ev): -20.0483 -20.0483 -6.5495 -6.5495 -4.4948 -4.4948 -4.4849 -4.4849 -0.6591 -0.6591 -0.6579 -0.6579 0.0143 0.0143 0.0157 0.0157 0.0726 0.0726 3.1966 3.1966 8.9505 8.9505 8.9588 8.9588 11.4871 11.4871 11.8930 11.8930 12.1851 12.1851 k = 0.0377 0.0377-0.0000 ( 1961 PWs) bands (ev): -20.0488 -20.0488 -6.5477 -6.5477 -4.4902 -4.4902 -4.4839 -4.4839 -0.6595 -0.6595 -0.6587 -0.6587 0.0139 0.0139 0.0148 0.0148 0.0725 0.0725 3.1769 3.1769 8.9494 8.9494 8.9549 8.9549 11.5695 11.5695 11.9954 11.9954 12.1999 12.1999 k = 0.0283 0.0283-0.0000 ( 1961 PWs) bands (ev): -20.0492 -20.0492 -6.5463 -6.5463 -4.4866 -4.4866 -4.4830 -4.4830 -0.6598 -0.6598 -0.6594 -0.6594 0.0135 0.0135 0.0140 0.0140 0.0724 0.0724 3.1616 3.1616 8.9484 8.9484 8.9516 8.9516 11.6338 11.6338 12.0943 12.0943 12.2199 12.2199 k = 0.0189 0.0189-0.0000 ( 1957 PWs) bands (ev): -20.0494 -20.0494 -6.5453 -6.5453 -4.4840 -4.4840 -4.4824 -4.4824 -0.6601 -0.6601 -0.6599 -0.6599 0.0133 0.0133 0.0135 0.0135 0.0723 0.0723 3.1505 3.1505 8.9477 8.9477 8.9491 8.9491 11.6791 11.6791 12.1814 12.1814 12.2421 12.2421 k = 0.0094 0.0094-0.0000 ( 1945 PWs) bands (ev): -20.0496 -20.0496 -6.5447 -6.5447 -4.4824 -4.4824 -4.4820 -4.4820 -0.6602 -0.6602 -0.6602 -0.6602 0.0131 0.0131 0.0132 0.0132 0.0723 0.0723 3.1439 3.1439 8.9473 8.9473 8.9477 8.9477 11.7058 11.7058 12.2440 12.2440 12.2602 12.2602 k = 0.0000 0.0000 0.0000 ( 1935 PWs) bands (ev): -20.0496 -20.0496 -6.5445 -6.5445 -4.4819 -4.4819 -4.4819 -4.4819 -0.6603 -0.6603 -0.6603 -0.6603 0.0131 0.0131 0.0131 0.0131 0.0722 0.0722 3.1417 3.1417 8.9471 8.9471 8.9471 8.9471 11.7145 11.7145 12.2674 12.2674 12.2674 12.2674 k = 0.0000 0.0000 0.0000 ( 1935 PWs) bands (ev): -20.0496 -20.0496 -6.5445 -6.5445 -4.4819 -4.4819 -4.4819 -4.4819 -0.6603 -0.6603 -0.6603 -0.6603 0.0131 0.0131 0.0131 0.0131 0.0722 0.0722 3.1417 3.1417 8.9471 8.9471 8.9471 8.9471 11.7145 11.7145 12.2674 12.2674 12.2674 12.2674 k = 0.0077 0.0077 0.0077 ( 1947 PWs) bands (ev): -20.0496 -20.0496 -6.5447 -6.5447 -4.4823 -4.4823 -4.4822 -4.4822 -0.6602 -0.6602 -0.6602 -0.6602 0.0131 0.0131 0.0132 0.0132 0.0723 0.0723 3.1439 3.1439 8.9473 8.9473 8.9476 8.9476 11.7057 11.7057 12.2433 12.2433 12.2611 12.2611 k = 0.0154 0.0154 0.0154 ( 1953 PWs) bands (ev): -20.0494 -20.0494 -6.5453 -6.5453 -4.4835 -4.4835 -4.4830 -4.4830 -0.6600 -0.6600 -0.6599 -0.6599 0.0133 0.0133 0.0135 0.0135 0.0723 0.0723 3.1505 3.1505 8.9479 8.9479 8.9490 8.9490 11.6786 11.6786 12.1819 12.1819 12.2429 12.2429 k = 0.0231 0.0231 0.0231 ( 1959 PWs) bands (ev): -20.0492 -20.0492 -6.5463 -6.5463 -4.4853 -4.4853 -4.4843 -4.4843 -0.6597 -0.6597 -0.6596 -0.6596 0.0136 0.0136 0.0139 0.0139 0.0724 0.0724 3.1615 3.1615 8.9488 8.9488 8.9514 8.9514 11.6310 11.6310 12.1035 12.1035 12.2140 12.2140 k = 0.0308 0.0308 0.0308 ( 1959 PWs) bands (ev): -20.0488 -20.0488 -6.5477 -6.5477 -4.4880 -4.4880 -4.4861 -4.4861 -0.6592 -0.6592 -0.6590 -0.6590 0.0141 0.0141 0.0146 0.0146 0.0725 0.0725 3.1768 3.1768 8.9501 8.9501 8.9546 8.9546 11.5610 11.5610 12.0238 12.0238 12.1761 12.1761 k = 0.0385 0.0385 0.0385 ( 1959 PWs) bands (ev): -20.0483 -20.0483 -6.5495 -6.5495 -4.4913 -4.4913 -4.4884 -4.4884 -0.6587 -0.6587 -0.6584 -0.6584 0.0146 0.0146 0.0154 0.0154 0.0726 0.0726 3.1964 3.1964 8.9518 8.9518 8.9588 8.9588 11.4692 11.4692 11.9504 11.9504 12.1307 12.1307 k = 0.0462 0.0462 0.0462 ( 1959 PWs) bands (ev): -20.0477 -20.0477 -6.5517 -6.5517 -4.4954 -4.4954 -4.4912 -4.4912 -0.6580 -0.6580 -0.6576 -0.6576 0.0153 0.0153 0.0163 0.0163 0.0727 0.0727 3.2203 3.2203 8.9538 8.9538 8.9639 8.9639 11.3597 11.3597 11.8842 11.8842 12.0791 12.0791 k = 0.0538 0.0538 0.0538 ( 1971 PWs) bands (ev): -20.0470 -20.0470 -6.5542 -6.5542 -4.5000 -4.5000 -4.4946 -4.4946 -0.6572 -0.6572 -0.6567 -0.6567 0.0161 0.0161 0.0174 0.0174 0.0729 0.0729 3.2483 3.2483 8.9562 8.9562 8.9698 8.9698 11.2380 11.2380 11.8229 11.8229 12.0224 12.0224 k = 0.0615 0.0615 0.0615 ( 1977 PWs) bands (ev): -20.0463 -20.0463 -6.5571 -6.5571 -4.5053 -4.5053 -4.4984 -4.4984 -0.6563 -0.6563 -0.6557 -0.6557 0.0170 0.0170 0.0187 0.0187 0.0730 0.0730 3.2803 3.2803 8.9590 8.9590 8.9766 8.9766 11.1093 11.1093 11.7638 11.7638 11.9613 11.9613 k = 0.0692 0.0692 0.0692 ( 1977 PWs) bands (ev): -20.0454 -20.0454 -6.5604 -6.5604 -4.5112 -4.5112 -4.5026 -4.5026 -0.6553 -0.6553 -0.6547 -0.6547 0.0180 0.0180 0.0200 0.0200 0.0731 0.0731 3.3162 3.3162 8.9620 8.9620 8.9842 8.9842 10.9774 10.9774 11.7047 11.7047 11.8966 11.8966 k = 0.0769 0.0769 0.0769 ( 1980 PWs) bands (ev): -20.0444 -20.0444 -6.5639 -6.5639 -4.5176 -4.5176 -4.5074 -4.5074 -0.6542 -0.6542 -0.6536 -0.6536 0.0191 0.0191 0.0215 0.0215 0.0731 0.0731 3.3560 3.3560 8.9653 8.9653 8.9925 8.9925 10.8450 10.8450 11.6447 11.6447 11.8286 11.8286 k = 0.0846 0.0846 0.0846 ( 1974 PWs) bands (ev): -20.0433 -20.0433 -6.5678 -6.5678 -4.5245 -4.5245 -4.5125 -4.5125 -0.6529 -0.6529 -0.6525 -0.6525 0.0203 0.0203 0.0231 0.0231 0.0730 0.0730 3.3993 3.3993 8.9688 8.9688 9.0015 9.0015 10.7141 10.7141 11.5832 11.5832 11.7581 11.7581 k = 0.0923 0.0923 0.0923 ( 1974 PWs) bands (ev): -20.0422 -20.0422 -6.5720 -6.5720 -4.5319 -4.5319 -4.5181 -4.5181 -0.6516 -0.6516 -0.6513 -0.6513 0.0216 0.0216 0.0247 0.0247 0.0729 0.0729 3.4462 3.4462 8.9724 8.9724 9.0110 9.0110 10.5859 10.5859 11.5200 11.5200 11.6854 11.6854 k = 0.1000 0.1000 0.1000 ( 1992 PWs) bands (ev): -20.0409 -20.0409 -6.5765 -6.5765 -4.5396 -4.5396 -4.5241 -4.5241 -0.6503 -0.6503 -0.6502 -0.6502 0.0230 0.0230 0.0264 0.0264 0.0727 0.0727 3.4963 3.4963 8.9759 8.9759 9.0208 9.0208 10.4615 10.4615 11.4553 11.4553 11.6111 11.6111 k = 0.1077 0.1077 0.1077 ( 1986 PWs) bands (ev): -20.0396 -20.0396 -6.5812 -6.5812 -4.5476 -4.5476 -4.5304 -4.5304 -0.6491 -0.6491 -0.6488 -0.6488 0.0245 0.0245 0.0282 0.0282 0.0724 0.0724 3.5494 3.5494 8.9792 8.9792 9.0309 9.0309 10.3417 10.3417 11.3894 11.3894 11.5358 11.5358 k = 0.1154 0.1154 0.1154 ( 1986 PWs) bands (ev): -20.0381 -20.0381 -6.5862 -6.5862 -4.5560 -4.5560 -4.5371 -4.5371 -0.6481 -0.6481 -0.6473 -0.6473 0.0262 0.0262 0.0300 0.0300 0.0720 0.0720 3.6054 3.6054 8.9822 8.9822 9.0409 9.0409 10.2272 10.2272 11.3229 11.3229 11.4601 11.4601 k = 0.1231 0.1231 0.1231 ( 1986 PWs) bands (ev): -20.0366 -20.0366 -6.5913 -6.5913 -4.5646 -4.5646 -4.5442 -4.5442 -0.6471 -0.6471 -0.6457 -0.6457 0.0279 0.0279 0.0319 0.0319 0.0714 0.0714 3.6640 3.6640 8.9844 8.9844 9.0505 9.0505 10.1185 10.1185 11.2564 11.2564 11.3847 11.3847 k = 0.1308 0.1308 0.1308 ( 1983 PWs) bands (ev): -20.0351 -20.0351 -6.5967 -6.5967 -4.5734 -4.5734 -4.5516 -4.5516 -0.6462 -0.6462 -0.6440 -0.6440 0.0296 0.0296 0.0339 0.0339 0.0707 0.0707 3.7249 3.7249 8.9857 8.9857 9.0595 9.0595 10.0161 10.0161 11.1904 11.1904 11.3102 11.3102 k = 0.1385 0.1385 0.1385 ( 1983 PWs) bands (ev): -20.0334 -20.0334 -6.6023 -6.6023 -4.5824 -4.5824 -4.5593 -4.5593 -0.6454 -0.6454 -0.6423 -0.6423 0.0315 0.0315 0.0358 0.0358 0.0699 0.0699 3.7879 3.7879 8.9856 8.9856 9.0673 9.0673 9.9205 9.9205 11.1258 11.1258 11.2374 11.2374 k = 0.1462 0.1462 0.1462 ( 1974 PWs) bands (ev): -20.0317 -20.0317 -6.6080 -6.6080 -4.5914 -4.5914 -4.5672 -4.5672 -0.6446 -0.6446 -0.6406 -0.6406 0.0335 0.0335 0.0378 0.0378 0.0690 0.0690 3.8526 3.8526 8.9839 8.9839 9.0735 9.0735 9.8320 9.8320 11.0633 11.0633 11.1672 11.1672 k = 0.1538 0.1538 0.1538 ( 1974 PWs) bands (ev): -20.0299 -20.0299 -6.6139 -6.6139 -4.6006 -4.6006 -4.5754 -4.5754 -0.6440 -0.6440 -0.6388 -0.6388 0.0355 0.0355 0.0398 0.0398 0.0679 0.0679 3.9187 3.9187 8.9798 8.9798 9.0775 9.0775 9.7510 9.7510 11.0039 11.0039 11.1005 11.1005 k = 0.1615 0.1615 0.1615 ( 1974 PWs) bands (ev): -20.0281 -20.0281 -6.6199 -6.6199 -4.6098 -4.6098 -4.5839 -4.5839 -0.6434 -0.6434 -0.6370 -0.6370 0.0376 0.0376 0.0417 0.0417 0.0667 0.0667 3.9860 3.9860 8.9731 8.9731 9.0787 9.0787 9.6778 9.6778 10.9483 10.9483 11.0383 11.0383 k = 0.1692 0.1692 0.1692 ( 1980 PWs) bands (ev): -20.0262 -20.0262 -6.6260 -6.6260 -4.6190 -4.6190 -4.5925 -4.5925 -0.6429 -0.6429 -0.6351 -0.6351 0.0398 0.0398 0.0437 0.0437 0.0655 0.0655 4.0540 4.0540 8.9632 8.9632 9.0763 9.0763 9.6126 9.6126 10.8975 10.8975 10.9814 10.9814 k = 0.1769 0.1769 0.1769 ( 1971 PWs) bands (ev): -20.0243 -20.0243 -6.6322 -6.6322 -4.6282 -4.6282 -4.6014 -4.6014 -0.6425 -0.6425 -0.6332 -0.6332 0.0420 0.0420 0.0455 0.0455 0.0643 0.0643 4.1225 4.1225 8.9495 8.9495 9.0697 9.0697 9.5558 9.5558 10.8524 10.8524 10.9311 10.9311 k = 0.1846 0.1846 0.1846 ( 1971 PWs) bands (ev): -20.0223 -20.0223 -6.6384 -6.6384 -4.6374 -4.6374 -4.6104 -4.6104 -0.6422 -0.6422 -0.6313 -0.6313 0.0444 0.0444 0.0472 0.0472 0.0631 0.0631 4.1912 4.1912 8.9315 8.9315 9.0582 9.0582 9.5075 9.5075 10.8137 10.8137 10.8881 10.8881 k = 0.1923 0.1923 0.1923 ( 1974 PWs) bands (ev): -20.0203 -20.0203 -6.6448 -6.6448 -4.6464 -4.6464 -4.6195 -4.6195 -0.6420 -0.6420 -0.6294 -0.6294 0.0468 0.0468 0.0485 0.0485 0.0623 0.0623 4.2597 4.2597 8.9090 8.9090 9.0411 9.0411 9.4678 9.4678 10.7822 10.7822 10.8535 10.8535 k = 0.2000 0.2000 0.2000 ( 1974 PWs) bands (ev): -20.0183 -20.0183 -6.6511 -6.6511 -4.6554 -4.6554 -4.6287 -4.6287 -0.6418 -0.6418 -0.6275 -0.6275 0.0492 0.0492 0.0493 0.0493 0.0619 0.0619 4.3277 4.3277 8.8815 8.8815 9.0180 9.0180 9.4370 9.4370 10.7586 10.7586 10.8278 10.8278 k = 0.2077 0.2077 0.2077 ( 1977 PWs) bands (ev): -20.0162 -20.0162 -6.6575 -6.6575 -4.6643 -4.6643 -4.6380 -4.6380 -0.6417 -0.6417 -0.6255 -0.6255 0.0493 0.0493 0.0517 0.0517 0.0623 0.0623 4.3950 4.3950 8.8488 8.8488 8.9887 8.9887 9.4152 9.4152 10.7431 10.7431 10.8115 10.8115 k = 0.2154 0.2154 0.2154 ( 1977 PWs) bands (ev): -20.0141 -20.0141 -6.6639 -6.6639 -4.6731 -4.6731 -4.6474 -4.6474 -0.6416 -0.6416 -0.6236 -0.6236 0.0486 0.0486 0.0543 0.0543 0.0634 0.0634 4.4613 4.4613 8.8110 8.8110 8.9530 8.9530 9.4023 9.4023 10.7360 10.7360 10.8050 10.8050 k = 0.2231 0.2231 0.2231 ( 1983 PWs) bands (ev): -20.0120 -20.0120 -6.6703 -6.6703 -4.6818 -4.6818 -4.6569 -4.6569 -0.6415 -0.6415 -0.6216 -0.6216 0.0474 0.0474 0.0570 0.0570 0.0650 0.0650 4.5264 4.5264 8.7682 8.7682 8.9113 8.9113 9.3983 9.3983 10.7374 10.7374 10.8081 10.8081 k = 0.2308 0.2308 0.2308 ( 1983 PWs) bands (ev): -20.0099 -20.0099 -6.6767 -6.6767 -4.6903 -4.6903 -4.6663 -4.6663 -0.6414 -0.6414 -0.6196 -0.6196 0.0460 0.0460 0.0597 0.0597 0.0669 0.0669 4.5902 4.5902 8.7206 8.7206 8.8638 8.8638 9.4033 9.4033 10.7472 10.7472 10.8207 10.8207 k = 0.2385 0.2385 0.2385 ( 1983 PWs) bands (ev): -20.0077 -20.0077 -6.6830 -6.6830 -4.6987 -4.6987 -4.6758 -4.6758 -0.6412 -0.6412 -0.6177 -0.6177 0.0444 0.0444 0.0625 0.0625 0.0691 0.0691 4.6525 4.6525 8.6687 8.6687 8.8113 8.8113 9.4168 9.4168 10.7650 10.7650 10.8423 10.8423 k = 0.2462 0.2462 0.2462 ( 1998 PWs) bands (ev): -20.0056 -20.0056 -6.6893 -6.6893 -4.7070 -4.7070 -4.6852 -4.6852 -0.6410 -0.6410 -0.6157 -0.6157 0.0427 0.0427 0.0653 0.0653 0.0714 0.0714 4.7132 4.7132 8.6130 8.6130 8.7543 8.7543 9.4385 9.4385 10.7905 10.7905 10.8725 10.8725 k = 0.2538 0.2538 0.2538 ( 1998 PWs) bands (ev): -20.0035 -20.0035 -6.6956 -6.6956 -4.7151 -4.7151 -4.6946 -4.6946 -0.6407 -0.6407 -0.6137 -0.6137 0.0411 0.0411 0.0682 0.0682 0.0738 0.0738 4.7723 4.7723 8.5540 8.5540 8.6935 8.6935 9.4678 9.4678 10.8232 10.8232 10.9106 10.9106 k = 0.2615 0.2615 0.2615 ( 1992 PWs) bands (ev): -20.0013 -20.0013 -6.7018 -6.7018 -4.7231 -4.7231 -4.7039 -4.7039 -0.6403 -0.6403 -0.6118 -0.6118 0.0396 0.0396 0.0712 0.0712 0.0763 0.0763 4.8300 4.8300 8.4924 8.4924 8.6297 8.6297 9.5040 9.5040 10.8627 10.8627 10.9560 10.9560 k = 0.2692 0.2692 0.2692 ( 2004 PWs) bands (ev): -19.9992 -19.9992 -6.7079 -6.7079 -4.7309 -4.7309 -4.7132 -4.7132 -0.6397 -0.6397 -0.6099 -0.6099 0.0381 0.0381 0.0742 0.0742 0.0788 0.0788 4.8862 4.8862 8.4287 8.4287 8.5636 8.5636 9.5460 9.5460 10.9085 10.9085 11.0081 11.0081 k = 0.2769 0.2769 0.2769 ( 1986 PWs) bands (ev): -19.9971 -19.9971 -6.7140 -6.7140 -4.7386 -4.7386 -4.7223 -4.7223 -0.6390 -0.6390 -0.6079 -0.6079 0.0368 0.0368 0.0772 0.0772 0.0814 0.0814 4.9411 4.9411 8.3635 8.3635 8.4957 8.4957 9.5926 9.5926 10.9601 10.9601 11.0665 11.0665 k = 0.2846 0.2846 0.2846 ( 1986 PWs) bands (ev): -19.9950 -19.9950 -6.7200 -6.7200 -4.7462 -4.7462 -4.7313 -4.7313 -0.6381 -0.6381 -0.6060 -0.6060 0.0357 0.0357 0.0803 0.0803 0.0840 0.0840 4.9948 4.9948 8.2973 8.2973 8.4268 8.4268 9.6419 9.6419 11.0171 11.0171 11.1305 11.1305 k = 0.2923 0.2923 0.2923 ( 1980 PWs) bands (ev): -19.9929 -19.9929 -6.7258 -6.7258 -4.7536 -4.7536 -4.7402 -4.7402 -0.6370 -0.6370 -0.6041 -0.6041 0.0347 0.0347 0.0834 0.0834 0.0866 0.0866 5.0477 5.0477 8.2305 8.2305 8.3573 8.3573 9.6919 9.6919 11.0788 11.0788 11.1997 11.1997 k = 0.3000 0.3000 0.3000 ( 1980 PWs) bands (ev): -19.9909 -19.9909 -6.7316 -6.7316 -4.7609 -4.7609 -4.7489 -4.7489 -0.6357 -0.6357 -0.6023 -0.6023 0.0339 0.0339 0.0865 0.0865 0.0893 0.0893 5.0999 5.0999 8.1637 8.1637 8.2877 8.2877 9.7395 9.7395 11.1449 11.1449 11.2737 11.2737 k = 0.3077 0.3077 0.3077 ( 1980 PWs) bands (ev): -19.9889 -19.9889 -6.7373 -6.7373 -4.7680 -4.7680 -4.7574 -4.7574 -0.6341 -0.6341 -0.6004 -0.6004 0.0333 0.0333 0.0897 0.0897 0.0920 0.0920 5.1517 5.1517 8.0971 8.0971 8.2184 8.2184 9.7813 9.7813 11.2145 11.2145 11.3521 11.3521 k = 0.3154 0.3154 0.3154 ( 1980 PWs) bands (ev): -19.9869 -19.9869 -6.7428 -6.7428 -4.7751 -4.7751 -4.7658 -4.7658 -0.6323 -0.6323 -0.5986 -0.5986 0.0330 0.0330 0.0929 0.0929 0.0947 0.0947 5.2034 5.2034 8.0312 8.0312 8.1498 8.1498 9.8125 9.8125 11.2868 11.2868 11.4346 11.4346 k = 0.3231 0.3231 0.3231 ( 1980 PWs) bands (ev): -19.9850 -19.9850 -6.7482 -6.7482 -4.7819 -4.7819 -4.7739 -4.7739 -0.6303 -0.6303 -0.5968 -0.5968 0.0328 0.0328 0.0961 0.0961 0.0975 0.0975 5.2552 5.2552 7.9662 7.9662 8.0822 8.0822 9.8282 9.8282 11.3601 11.3601 11.5209 11.5209 k = 0.3308 0.3308 0.3308 ( 1980 PWs) bands (ev): -19.9831 -19.9831 -6.7534 -6.7534 -4.7886 -4.7886 -4.7818 -4.7818 -0.6281 -0.6281 -0.5951 -0.5951 0.0328 0.0328 0.0993 0.0993 0.1002 0.1002 5.3075 5.3075 7.9025 7.9025 8.0159 8.0159 9.8231 9.8231 11.4318 11.4318 11.6108 11.6108 k = 0.3385 0.3385 0.3385 ( 1980 PWs) bands (ev): -19.9812 -19.9812 -6.7585 -6.7585 -4.7952 -4.7952 -4.7895 -4.7895 -0.6256 -0.6256 -0.5934 -0.5934 0.0330 0.0330 0.1024 0.1024 0.1030 0.1030 5.3606 5.3606 7.8402 7.8402 7.9512 7.9512 9.7935 9.7935 11.4978 11.4978 11.7039 11.7039 k = 0.3462 0.3462 0.3462 ( 1986 PWs) bands (ev): -19.9795 -19.9795 -6.7635 -6.7635 -4.8016 -4.8016 -4.7969 -4.7969 -0.6230 -0.6230 -0.5917 -0.5917 0.0334 0.0334 0.1056 0.1056 0.1058 0.1058 5.4147 5.4147 7.7796 7.7796 7.8882 7.8882 9.7377 9.7377 11.5560 11.5560 11.7867 11.7867 k = 0.3538 0.3538 0.3538 ( 1980 PWs) bands (ev): -19.9778 -19.9778 -6.7683 -6.7683 -4.8078 -4.8078 -4.8040 -4.8040 -0.6201 -0.6201 -0.5901 -0.5901 0.0340 0.0340 0.1085 0.1085 0.1087 0.1087 5.4702 5.4702 7.7209 7.7209 7.8273 7.8273 9.6572 9.6572 11.6131 11.6131 11.8480 11.8480 k = 0.3615 0.3615 0.3615 ( 1980 PWs) bands (ev): -19.9761 -19.9761 -6.7729 -6.7729 -4.8139 -4.8139 -4.8108 -4.8108 -0.6171 -0.6171 -0.5885 -0.5885 0.0347 0.0347 0.1113 0.1113 0.1118 0.1118 5.5272 5.5272 7.6643 7.6643 7.7685 7.7685 9.5556 9.5556 11.6782 11.6782 11.9316 11.9316 k = 0.3692 0.3692 0.3692 ( 1980 PWs) bands (ev): -19.9745 -19.9745 -6.7773 -6.7773 -4.8197 -4.8197 -4.8174 -4.8174 -0.6139 -0.6139 -0.5870 -0.5870 0.0355 0.0355 0.1140 0.1140 0.1148 0.1148 5.5861 5.5861 7.6099 7.6099 7.7121 7.7121 9.4373 9.4373 11.7555 11.7555 12.0283 12.0283 k = 0.3769 0.3769 0.3769 ( 1980 PWs) bands (ev): -19.9730 -19.9730 -6.7815 -6.7815 -4.8253 -4.8253 -4.8236 -4.8236 -0.6106 -0.6106 -0.5855 -0.5855 0.0365 0.0365 0.1168 0.1168 0.1178 0.1178 5.6471 5.6471 7.5580 7.5580 7.6582 7.6582 9.3067 9.3067 11.8441 11.8441 12.1341 12.1341 k = 0.3846 0.3846 0.3846 ( 1986 PWs) bands (ev): -19.9716 -19.9716 -6.7855 -6.7855 -4.8308 -4.8308 -4.8296 -4.8296 -0.6072 -0.6072 -0.5841 -0.5841 0.0375 0.0375 0.1194 0.1194 0.1206 0.1206 5.7104 5.7104 7.5085 7.5085 7.6069 7.6069 9.1675 9.1675 11.9417 11.9417 12.2469 12.2469 k = 0.3923 0.3923 0.3923 ( 1992 PWs) bands (ev): -19.9702 -19.9702 -6.7894 -6.7894 -4.8360 -4.8360 -4.8352 -4.8352 -0.6038 -0.6038 -0.5828 -0.5828 0.0387 0.0387 0.1221 0.1221 0.1234 0.1234 5.7762 5.7762 7.4618 7.4618 7.5584 7.5584 9.0227 9.0227 12.0456 12.0456 12.3657 12.3657 k = 0.4000 0.4000 0.4000 ( 1983 PWs) bands (ev): -19.9689 -19.9689 -6.7929 -6.7929 -4.8409 -4.8409 -4.8404 -4.8404 -0.6004 -0.6004 -0.5815 -0.5815 0.0398 0.0398 0.1247 0.1247 0.1260 0.1260 5.8448 5.8448 7.4177 7.4177 7.5128 7.5128 8.8745 8.8745 12.1535 12.1535 12.4898 12.4898 k = 0.4077 0.4077 0.4077 ( 1971 PWs) bands (ev): -19.9677 -19.9677 -6.7963 -6.7963 -4.8455 -4.8455 -4.8453 -4.8453 -0.5971 -0.5971 -0.5804 -0.5804 0.0410 0.0410 0.1272 0.1272 0.1285 0.1285 5.9162 5.9162 7.3766 7.3766 7.4702 7.4702 8.7248 8.7248 12.2634 12.2634 12.6181 12.6181 k = 0.4154 0.4154 0.4154 ( 1971 PWs) bands (ev): -19.9666 -19.9666 -6.7994 -6.7994 -4.8499 -4.8499 -4.8499 -4.8499 -0.5938 -0.5938 -0.5793 -0.5793 0.0422 0.0422 0.1296 0.1296 0.1309 0.1309 5.9907 5.9907 7.3384 7.3384 7.4306 7.4306 8.5747 8.5747 12.3740 12.3740 12.7498 12.7498 k = 0.4231 0.4231 0.4231 ( 1962 PWs) bands (ev): -19.9656 -19.9656 -6.8023 -6.8023 -4.8540 -4.8540 -4.8540 -4.8540 -0.5906 -0.5906 -0.5782 -0.5782 0.0433 0.0433 0.1319 0.1319 0.1332 0.1332 6.0683 6.0683 7.3032 7.3032 7.3942 7.3942 8.4254 8.4254 12.4841 12.4841 12.8834 12.8834 k = 0.4308 0.4308 0.4308 ( 1968 PWs) bands (ev): -19.9646 -19.9646 -6.8050 -6.8050 -4.8578 -4.8578 -4.8577 -4.8577 -0.5876 -0.5876 -0.5773 -0.5773 0.0444 0.0444 0.1341 0.1341 0.1352 0.1352 6.1492 6.1492 7.2711 7.2711 7.3611 7.3611 8.2776 8.2776 12.5926 12.5926 13.0028 13.0028 k = 0.4385 0.4385 0.4385 ( 1968 PWs) bands (ev): -19.9638 -19.9638 -6.8073 -6.8073 -4.8613 -4.8613 -4.8611 -4.8611 -0.5848 -0.5848 -0.5765 -0.5765 0.0454 0.0454 0.1361 0.1361 0.1371 0.1371 6.2335 6.2335 7.2422 7.2422 7.3312 7.3312 8.1320 8.1320 12.6987 12.6987 13.1195 13.1195 k = 0.4462 0.4462 0.4462 ( 1968 PWs) bands (ev): -19.9630 -19.9630 -6.8095 -6.8095 -4.8643 -4.8643 -4.8641 -4.8641 -0.5822 -0.5822 -0.5757 -0.5757 0.0464 0.0464 0.1380 0.1380 0.1388 0.1388 6.3212 6.3212 7.2165 7.2165 7.3048 7.3048 7.9892 7.9892 12.8012 12.8012 13.2360 13.2360 k = 0.4538 0.4538 0.4538 ( 1968 PWs) bands (ev): -19.9624 -19.9624 -6.8113 -6.8113 -4.8669 -4.8669 -4.8668 -4.8668 -0.5799 -0.5799 -0.5750 -0.5750 0.0472 0.0472 0.1396 0.1396 0.1403 0.1403 6.4122 6.4122 7.1939 7.1939 7.2817 7.2817 7.8496 7.8496 12.8987 12.8987 13.3516 13.3516 k = 0.4615 0.4615 0.4615 ( 1968 PWs) bands (ev): -19.9618 -19.9618 -6.8129 -6.8129 -4.8692 -4.8692 -4.8690 -4.8690 -0.5779 -0.5779 -0.5745 -0.5745 0.0480 0.0480 0.1411 0.1411 0.1415 0.1415 6.5066 6.5066 7.1745 7.1745 7.2621 7.2621 7.7140 7.7140 12.9895 12.9895 13.4651 13.4651 k = 0.4692 0.4692 0.4692 ( 1968 PWs) bands (ev): -19.9614 -19.9614 -6.8142 -6.8142 -4.8710 -4.8710 -4.8709 -4.8709 -0.5762 -0.5762 -0.5740 -0.5740 0.0486 0.0486 0.1423 0.1423 0.1426 0.1426 6.6038 6.6038 7.1581 7.1581 7.2461 7.2461 7.5831 7.5831 13.0711 13.0711 13.5747 13.5747 k = 0.4769 0.4769 0.4769 ( 1968 PWs) bands (ev): -19.9610 -19.9610 -6.8152 -6.8152 -4.8724 -4.8724 -4.8724 -4.8724 -0.5749 -0.5749 -0.5737 -0.5737 0.0491 0.0491 0.1433 0.1433 0.1434 0.1434 6.7032 6.7032 7.1441 7.1441 7.2335 7.2335 7.4584 7.4584 13.1405 13.1405 13.6772 13.6772 k = 0.4846 0.4846 0.4846 ( 1968 PWs) bands (ev): -19.9608 -19.9608 -6.8159 -6.8159 -4.8735 -4.8735 -4.8734 -4.8734 -0.5740 -0.5740 -0.5734 -0.5734 0.0495 0.0495 0.1439 0.1439 0.1440 0.1440 6.8026 6.8026 7.1308 7.1308 7.2246 7.2246 7.3441 7.3441 13.1941 13.1941 13.7666 13.7668 k = 0.4923 0.4923 0.4923 ( 1980 PWs) bands (ev): -19.9606 -19.9606 -6.8163 -6.8163 -4.8741 -4.8741 -4.8741 -4.8741 -0.5734 -0.5734 -0.5732 -0.5732 0.0497 0.0497 0.1444 0.1444 0.1444 0.1444 6.8948 6.8948 7.1125 7.1125 7.2192 7.2192 7.2533 7.2533 13.2282 13.2282 13.8318 13.8348 k = 0.5000 0.5000 0.5000 ( 2008 PWs) bands (ev): -19.9606 -19.9606 -6.8165 -6.8165 -4.8743 -4.8743 -4.8743 -4.8743 -0.5732 -0.5732 -0.5732 -0.5732 0.0498 0.0498 0.1445 0.1445 0.1445 0.1445 6.9443 6.9443 7.0933 7.0933 7.2174 7.2174 7.2174 7.2174 13.2399 13.2399 13.8565 13.8565 k = 0.5000 0.5000 0.5000 ( 2008 PWs) bands (ev): -19.9606 -19.9606 -6.8165 -6.8165 -4.8743 -4.8743 -4.8743 -4.8743 -0.5732 -0.5732 -0.5732 -0.5732 0.0498 0.0498 0.1445 0.1445 0.1445 0.1445 6.9443 6.9443 7.0933 7.0933 7.2174 7.2174 7.2174 7.2174 13.2399 13.2399 13.8565 13.8565 k = 0.4906 0.5000 0.4906 ( 1976 PWs) bands (ev): -19.9606 -19.9606 -6.8163 -6.8163 -4.8742 -4.8742 -4.8739 -4.8739 -0.5734 -0.5734 -0.5732 -0.5732 0.0497 0.0497 0.1443 0.1443 0.1444 0.1444 6.8946 6.8946 7.1126 7.1126 7.2192 7.2192 7.2533 7.2533 13.2281 13.2281 13.8266 13.8266 k = 0.4811 0.5000 0.4811 ( 1966 PWs) bands (ev): -19.9608 -19.9608 -6.8159 -6.8159 -4.8740 -4.8740 -4.8729 -4.8729 -0.5739 -0.5739 -0.5734 -0.5734 0.0495 0.0495 0.1438 0.1438 0.1441 0.1441 6.8022 6.8022 7.1312 7.1312 7.2248 7.2248 7.3440 7.3440 13.1931 13.1931 13.7490 13.7490 k = 0.4717 0.5000 0.4717 ( 1966 PWs) bands (ev): -19.9610 -19.9610 -6.8152 -6.8152 -4.8737 -4.8737 -4.8711 -4.8711 -0.5749 -0.5749 -0.5737 -0.5737 0.0491 0.0491 0.1430 0.1430 0.1437 0.1437 6.7023 6.7023 7.1449 7.1449 7.2340 7.2340 7.4582 7.4582 13.1362 13.1362 13.6432 13.6432 k = 0.4623 0.5000 0.4623 ( 1966 PWs) bands (ev): -19.9614 -19.9614 -6.8142 -6.8142 -4.8733 -4.8733 -4.8686 -4.8686 -0.5761 -0.5761 -0.5741 -0.5741 0.0486 0.0486 0.1418 0.1418 0.1431 0.1431 6.6024 6.6024 7.1595 7.1595 7.2469 7.2469 7.5827 7.5827 13.0602 13.0602 13.5214 13.5214 k = 0.4528 0.5000 0.4528 ( 1962 PWs) bands (ev): -19.9618 -19.9618 -6.8129 -6.8129 -4.8728 -4.8728 -4.8654 -4.8654 -0.5778 -0.5778 -0.5747 -0.5747 0.0480 0.0480 0.1403 0.1403 0.1423 0.1423 6.5046 6.5046 7.1765 7.1765 7.2634 7.2634 7.7135 7.7135 12.9684 12.9684 13.3897 13.3897 k = 0.4434 0.5000 0.4434 ( 1962 PWs) bands (ev): -19.9624 -19.9624 -6.8113 -6.8113 -4.8721 -4.8721 -4.8615 -4.8615 -0.5797 -0.5797 -0.5753 -0.5753 0.0472 0.0472 0.1385 0.1385 0.1414 0.1414 6.4097 6.4097 7.1964 7.1964 7.2834 7.2834 7.8493 7.8493 12.8644 12.8644 13.2516 13.2516 k = 0.4340 0.5000 0.4340 ( 1962 PWs) bands (ev): -19.9630 -19.9630 -6.8095 -6.8095 -4.8714 -4.8714 -4.8570 -4.8570 -0.5820 -0.5820 -0.5760 -0.5760 0.0464 0.0464 0.1364 0.1364 0.1403 0.1403 6.3181 6.3181 7.2193 7.2193 7.3069 7.3069 7.9892 7.9892 12.7514 12.7514 13.1097 13.1097 k = 0.4245 0.5000 0.4245 ( 1962 PWs) bands (ev): -19.9638 -19.9638 -6.8074 -6.8074 -4.8705 -4.8705 -4.8517 -4.8517 -0.5845 -0.5845 -0.5769 -0.5769 0.0454 0.0454 0.1341 0.1341 0.1391 0.1391 6.2300 6.2300 7.2452 7.2452 7.3336 7.3336 8.1331 8.1331 12.6320 12.6320 12.9658 12.9658 k = 0.4151 0.5000 0.4151 ( 1962 PWs) bands (ev): -19.9646 -19.9646 -6.8051 -6.8051 -4.8695 -4.8695 -4.8459 -4.8459 -0.5873 -0.5873 -0.5778 -0.5778 0.0443 0.0443 0.1314 0.1314 0.1378 0.1378 6.1456 6.1456 7.2740 7.2740 7.3635 7.3635 8.2805 8.2805 12.5082 12.5082 12.8214 12.8214 k = 0.4057 0.5000 0.4057 ( 1968 PWs) bands (ev): -19.9655 -19.9655 -6.8025 -6.8025 -4.8685 -4.8685 -4.8394 -4.8394 -0.5903 -0.5903 -0.5789 -0.5789 0.0432 0.0432 0.1286 0.1286 0.1363 0.1363 6.0648 6.0648 7.3055 7.3055 7.3961 7.3961 8.4313 8.4313 12.3815 12.3815 12.6778 12.6778 k = 0.3962 0.5000 0.3962 ( 1976 PWs) bands (ev): -19.9666 -19.9666 -6.7998 -6.7998 -4.8674 -4.8674 -4.8323 -4.8323 -0.5934 -0.5934 -0.5800 -0.5800 0.0420 0.0420 0.1255 0.1255 0.1348 0.1348 5.9877 5.9877 7.3397 7.3397 7.4312 7.4312 8.5854 8.5854 12.2533 12.2533 12.5359 12.5359 k = 0.3868 0.5000 0.3868 ( 1980 PWs) bands (ev): -19.9676 -19.9676 -6.7968 -6.7968 -4.8662 -4.8662 -4.8246 -4.8246 -0.5968 -0.5968 -0.5812 -0.5812 0.0408 0.0408 0.1222 0.1222 0.1333 0.1333 5.9144 5.9144 7.3764 7.3764 7.4683 7.4683 8.7425 8.7425 12.1248 12.1248 12.3966 12.3966 k = 0.3774 0.5000 0.3774 ( 1984 PWs) bands (ev): -19.9688 -19.9688 -6.7936 -6.7936 -4.8649 -4.8649 -4.8163 -4.8163 -0.6002 -0.6002 -0.5824 -0.5824 0.0395 0.0395 0.1187 0.1187 0.1316 0.1316 5.8448 5.8448 7.4154 7.4154 7.5071 7.5071 8.9024 8.9024 11.9973 11.9973 12.2603 12.2603 k = 0.3679 0.5000 0.3679 ( 1980 PWs) bands (ev): -19.9700 -19.9700 -6.7902 -6.7902 -4.8635 -4.8635 -4.8075 -4.8075 -0.6037 -0.6037 -0.5837 -0.5837 0.0383 0.0383 0.1151 0.1151 0.1300 0.1300 5.7788 5.7788 7.4565 7.4565 7.5470 7.5470 9.0648 9.0648 11.8720 11.8720 12.1272 12.1272 k = 0.3585 0.5000 0.3585 ( 1992 PWs) bands (ev): -19.9714 -19.9714 -6.7867 -6.7867 -4.8621 -4.8621 -4.7982 -4.7982 -0.6073 -0.6073 -0.5851 -0.5851 0.0370 0.0370 0.1114 0.1114 0.1283 0.1283 5.7166 5.7166 7.4993 7.4993 7.5878 7.5878 9.2296 9.2296 11.7501 11.7501 11.9976 11.9976 k = 0.3491 0.5000 0.3491 ( 1988 PWs) bands (ev): -19.9727 -19.9727 -6.7830 -6.7830 -4.8607 -4.8607 -4.7884 -4.7884 -0.6109 -0.6109 -0.5865 -0.5865 0.0359 0.0359 0.1075 0.1075 0.1266 0.1266 5.6580 5.6580 7.5430 7.5430 7.6292 7.6292 9.3964 9.3964 11.6331 11.6331 11.8717 11.8717 k = 0.3396 0.5000 0.3396 ( 1988 PWs) bands (ev): -19.9742 -19.9742 -6.7792 -6.7792 -4.8592 -4.8592 -4.7782 -4.7782 -0.6144 -0.6144 -0.5880 -0.5880 0.0348 0.0348 0.1036 0.1036 0.1249 0.1249 5.6030 5.6030 7.5865 7.5865 7.6714 7.6714 9.5647 9.5647 11.5222 11.5222 11.7494 11.7494 k = 0.3302 0.5000 0.3302 ( 1988 PWs) bands (ev): -19.9756 -19.9756 -6.7753 -6.7753 -4.8576 -4.8576 -4.7675 -4.7675 -0.6179 -0.6179 -0.5894 -0.5894 0.0338 0.0338 0.0996 0.0996 0.1231 0.1231 5.5515 5.5515 7.6276 7.6276 7.7155 7.7155 9.7339 9.7339 11.4184 11.4184 11.6312 11.6312 k = 0.3208 0.5000 0.3208 ( 1988 PWs) bands (ev): -19.9772 -19.9772 -6.7713 -6.7713 -4.8561 -4.8561 -4.7565 -4.7565 -0.6213 -0.6213 -0.5909 -0.5909 0.0329 0.0329 0.0956 0.0956 0.1214 0.1214 5.5035 5.5035 7.6639 7.6639 7.7628 7.7628 9.9034 9.9034 11.3228 11.3228 11.5175 11.5175 k = 0.3113 0.5000 0.3113 ( 1992 PWs) bands (ev): -19.9788 -19.9788 -6.7672 -6.7672 -4.8545 -4.8545 -4.7451 -4.7451 -0.6245 -0.6245 -0.5924 -0.5924 0.0321 0.0321 0.0916 0.0916 0.1197 0.1197 5.4590 5.4590 7.6931 7.6931 7.8143 7.8143 10.0721 10.0721 11.2354 11.2354 11.4097 11.4097 k = 0.3019 0.5000 0.3019 ( 1992 PWs) bands (ev): -19.9804 -19.9804 -6.7631 -6.7631 -4.8529 -4.8529 -4.7334 -4.7334 -0.6276 -0.6276 -0.5939 -0.5939 0.0315 0.0315 0.0876 0.0876 0.1181 0.1181 5.4179 5.4179 7.7140 7.7140 7.8703 7.8703 10.2385 10.2385 11.1551 11.1551 11.3103 11.3103 k = 0.2925 0.5000 0.2925 ( 1996 PWs) bands (ev): -19.9820 -19.9820 -6.7589 -6.7589 -4.8513 -4.8513 -4.7214 -4.7214 -0.6305 -0.6305 -0.5953 -0.5953 0.0311 0.0311 0.0837 0.0837 0.1164 0.1164 5.3801 5.3801 7.7260 7.7260 7.9302 7.9302 10.4004 10.4004 11.0782 11.0782 11.2245 11.2245 k = 0.2830 0.5000 0.2830 ( 1984 PWs) bands (ev): -19.9837 -19.9837 -6.7547 -6.7547 -4.8497 -4.8497 -4.7092 -4.7092 -0.6332 -0.6332 -0.5968 -0.5968 0.0309 0.0309 0.0798 0.0798 0.1148 0.1148 5.3455 5.3455 7.7287 7.7287 7.9933 7.9933 10.5541 10.5541 10.9993 10.9993 11.1595 11.1595 k = 0.2736 0.5000 0.2736 ( 1988 PWs) bands (ev): -19.9854 -19.9854 -6.7505 -6.7505 -4.8481 -4.8481 -4.6968 -4.6968 -0.6357 -0.6357 -0.5982 -0.5982 0.0308 0.0308 0.0760 0.0760 0.1133 0.1133 5.3141 5.3141 7.7221 7.7221 8.0593 8.0593 10.6914 10.6914 10.9199 10.9199 11.1187 11.1187 k = 0.2642 0.5000 0.2642 ( 1988 PWs) bands (ev): -19.9871 -19.9871 -6.7463 -6.7463 -4.8464 -4.8464 -4.6843 -4.6843 -0.6380 -0.6380 -0.5995 -0.5995 0.0310 0.0310 0.0723 0.0723 0.1117 0.1117 5.2858 5.2858 7.7060 7.7060 8.1279 8.1279 10.7651 10.7651 10.8832 10.8832 11.1008 11.1008 k = 0.2547 0.5000 0.2547 ( 1988 PWs) bands (ev): -19.9888 -19.9888 -6.7422 -6.7422 -4.8448 -4.8448 -4.6717 -4.6717 -0.6400 -0.6400 -0.6008 -0.6008 0.0315 0.0315 0.0687 0.0687 0.1103 0.1103 5.2605 5.2605 7.6806 7.6806 8.1986 8.1986 10.7062 10.7062 10.9534 10.9534 11.1038 11.1038 k = 0.2453 0.5000 0.2453 ( 1980 PWs) bands (ev): -19.9905 -19.9905 -6.7381 -6.7381 -4.8432 -4.8432 -4.6590 -4.6590 -0.6417 -0.6417 -0.6020 -0.6020 0.0321 0.0321 0.0652 0.0652 0.1088 0.1088 5.2380 5.2380 7.6465 7.6465 8.2714 8.2714 10.6206 10.6206 11.0188 11.0188 11.1259 11.1259 k = 0.2358 0.5000 0.2358 ( 1988 PWs) bands (ev): -19.9923 -19.9923 -6.7340 -6.7340 -4.8417 -4.8417 -4.6463 -4.6463 -0.6432 -0.6432 -0.6032 -0.6032 0.0330 0.0330 0.0619 0.0619 0.1075 0.1075 5.2184 5.2184 7.6042 7.6042 8.3460 8.3460 10.5330 10.5330 11.0561 11.0561 11.1611 11.1611 k = 0.2264 0.5000 0.2264 ( 1988 PWs) bands (ev): -19.9940 -19.9940 -6.7301 -6.7301 -4.8401 -4.8401 -4.6336 -4.6336 -0.6445 -0.6445 -0.6042 -0.6042 0.0342 0.0342 0.0588 0.0588 0.1061 0.1061 5.2014 5.2014 7.5548 7.5548 8.4223 8.4223 10.4466 10.4466 11.0665 11.0665 11.2053 11.2053 k = 0.2170 0.5000 0.2170 ( 1982 PWs) bands (ev): -19.9957 -19.9957 -6.7262 -6.7262 -4.8386 -4.8386 -4.6210 -4.6210 -0.6455 -0.6455 -0.6052 -0.6052 0.0355 0.0355 0.0559 0.0559 0.1049 0.1049 5.1870 5.1870 7.4992 7.4992 8.5000 8.5000 10.3623 10.3623 11.0506 11.0506 11.2614 11.2614 k = 0.2075 0.5000 0.2075 ( 1982 PWs) bands (ev): -19.9973 -19.9973 -6.7225 -6.7225 -4.8371 -4.8371 -4.6085 -4.6085 -0.6463 -0.6463 -0.6060 -0.6060 0.0370 0.0370 0.0531 0.0531 0.1036 0.1036 5.1751 5.1751 7.4386 7.4386 8.5789 8.5789 10.2806 10.2806 11.0135 11.0135 11.3299 11.3299 k = 0.1981 0.5000 0.1981 ( 1978 PWs) bands (ev): -19.9990 -19.9990 -6.7188 -6.7188 -4.8356 -4.8356 -4.5962 -4.5962 -0.6469 -0.6469 -0.6067 -0.6067 0.0387 0.0387 0.0507 0.0507 0.1025 0.1025 5.1654 5.1654 7.3740 7.3740 8.6589 8.6589 10.2016 10.2016 10.9617 10.9617 11.4090 11.4090 k = 0.1887 0.5000 0.1887 ( 1982 PWs) bands (ev): -20.0006 -20.0006 -6.7153 -6.7153 -4.8342 -4.8342 -4.5841 -4.5841 -0.6473 -0.6473 -0.6073 -0.6073 0.0404 0.0404 0.0486 0.0486 0.1014 0.1014 5.1579 5.1579 7.3066 7.3066 8.7396 8.7396 10.1257 10.1257 10.9002 10.9002 11.4971 11.4971 k = 0.1792 0.5000 0.1792 ( 1982 PWs) bands (ev): -20.0022 -20.0022 -6.7119 -6.7119 -4.8328 -4.8328 -4.5723 -4.5723 -0.6475 -0.6475 -0.6077 -0.6077 0.0416 0.0416 0.0473 0.0473 0.1003 0.1003 5.1525 5.1525 7.2373 7.2373 8.8209 8.8209 10.0528 10.0528 10.8328 10.8328 11.5925 11.5925 k = 0.1698 0.5000 0.1698 ( 1974 PWs) bands (ev): -20.0037 -20.0037 -6.7087 -6.7087 -4.8314 -4.8314 -4.5608 -4.5608 -0.6477 -0.6477 -0.6080 -0.6080 0.0415 0.0415 0.0478 0.0478 0.0993 0.0993 5.1489 5.1489 7.1670 7.1670 8.9025 8.9025 9.9831 9.9831 10.7620 10.7620 11.6937 11.6937 k = 0.1604 0.5000 0.1604 ( 1974 PWs) bands (ev): -20.0052 -20.0052 -6.7056 -6.7056 -4.8301 -4.8301 -4.5496 -4.5496 -0.6477 -0.6477 -0.6081 -0.6081 0.0403 0.0403 0.0496 0.0496 0.0984 0.0984 5.1471 5.1471 7.0967 7.0967 8.9841 8.9841 9.9168 9.9168 10.6896 10.6896 11.7993 11.7993 k = 0.1509 0.5000 0.1509 ( 1982 PWs) bands (ev): -20.0066 -20.0066 -6.7027 -6.7027 -4.8288 -4.8288 -4.5388 -4.5388 -0.6476 -0.6476 -0.6081 -0.6081 0.0389 0.0389 0.0521 0.0521 0.0975 0.0975 5.1468 5.1468 7.0271 7.0271 9.0653 9.0653 9.8538 9.8538 10.6169 10.6169 11.9079 11.9079 k = 0.1415 0.5000 0.1415 ( 1982 PWs) bands (ev): -20.0080 -20.0080 -6.6999 -6.6999 -4.8276 -4.8276 -4.5284 -4.5284 -0.6476 -0.6476 -0.6079 -0.6079 0.0375 0.0375 0.0547 0.0547 0.0967 0.0967 5.1479 5.1479 6.9588 6.9588 9.1458 9.1458 9.7944 9.7944 10.5452 10.5452 12.0182 12.0182 k = 0.1321 0.5000 0.1321 ( 1986 PWs) bands (ev): -20.0093 -20.0093 -6.6974 -6.6974 -4.8264 -4.8264 -4.5185 -4.5185 -0.6474 -0.6474 -0.6076 -0.6076 0.0362 0.0362 0.0575 0.0575 0.0960 0.0960 5.1502 5.1502 6.8924 6.8924 9.2251 9.2251 9.7384 9.7384 10.4750 10.4750 12.1287 12.1287 k = 0.1226 0.5000 0.1226 ( 1994 PWs) bands (ev): -20.0105 -20.0105 -6.6950 -6.6950 -4.8253 -4.8253 -4.5092 -4.5092 -0.6473 -0.6473 -0.6071 -0.6071 0.0351 0.0351 0.0603 0.0603 0.0953 0.0953 5.1535 5.1535 6.8286 6.8286 9.3028 9.3028 9.6861 9.6861 10.4073 10.4073 12.2380 12.2380 k = 0.1132 0.5000 0.1132 ( 1986 PWs) bands (ev): -20.0117 -20.0117 -6.6927 -6.6927 -4.8243 -4.8243 -4.5003 -4.5003 -0.6472 -0.6472 -0.6065 -0.6065 0.0341 0.0341 0.0631 0.0631 0.0947 0.0947 5.1576 5.1576 6.7678 6.7678 9.3782 9.3782 9.6376 9.6376 10.3427 10.3427 12.3447 12.3447 k = 0.1038 0.5000 0.1038 ( 1986 PWs) bands (ev): -20.0128 -20.0128 -6.6907 -6.6907 -4.8233 -4.8233 -4.4920 -4.4920 -0.6471 -0.6471 -0.6058 -0.6058 0.0332 0.0332 0.0659 0.0659 0.0942 0.0942 5.1623 5.1623 6.7104 6.7104 9.4505 9.4505 9.5932 9.5932 10.2815 10.2815 12.4475 12.4475 k = 0.0943 0.5000 0.0943 ( 1986 PWs) bands (ev): -20.0138 -20.0138 -6.6888 -6.6888 -4.8224 -4.8224 -4.4844 -4.4844 -0.6470 -0.6470 -0.6051 -0.6051 0.0324 0.0324 0.0686 0.0686 0.0937 0.0937 5.1675 5.1675 6.6568 6.6568 9.5152 9.5152 9.5569 9.5569 10.2245 10.2245 12.5450 12.5450 k = 0.0849 0.5000 0.0849 ( 1984 PWs) bands (ev): -20.0147 -20.0147 -6.6871 -6.6871 -4.8216 -4.8216 -4.4773 -4.4773 -0.6469 -0.6469 -0.6043 -0.6043 0.0317 0.0317 0.0711 0.0711 0.0933 0.0933 5.1728 5.1728 6.6073 6.6073 9.5096 9.5096 9.5906 9.5906 10.1721 10.1721 12.6358 12.6358 k = 0.0755 0.5000 0.0755 ( 1984 PWs) bands (ev): -20.0155 -20.0155 -6.6856 -6.6856 -4.8208 -4.8208 -4.4710 -4.4710 -0.6469 -0.6469 -0.6035 -0.6035 0.0312 0.0312 0.0735 0.0735 0.0929 0.0929 5.1783 5.1783 6.5622 6.5622 9.4775 9.4775 9.6498 9.6498 10.1249 10.1249 12.7188 12.7188 k = 0.0660 0.5000 0.0660 ( 1986 PWs) bands (ev): -20.0163 -20.0163 -6.6842 -6.6842 -4.8201 -4.8201 -4.4653 -4.4653 -0.6468 -0.6468 -0.6027 -0.6027 0.0307 0.0307 0.0757 0.0757 0.0926 0.0926 5.1836 5.1836 6.5219 6.5219 9.4481 9.4481 9.7042 9.7042 10.0834 10.0834 12.7931 12.7931 k = 0.0566 0.5000 0.0566 ( 1986 PWs) bands (ev): -20.0169 -20.0169 -6.6831 -6.6831 -4.8195 -4.8195 -4.4603 -4.4603 -0.6468 -0.6468 -0.6020 -0.6020 0.0304 0.0304 0.0777 0.0777 0.0924 0.0924 5.1886 5.1886 6.4865 6.4865 9.4223 9.4223 9.7520 9.7520 10.0484 10.0484 12.8579 12.8579 k = 0.0472 0.5000 0.0472 ( 1988 PWs) bands (ev): -20.0175 -20.0175 -6.6821 -6.6821 -4.8190 -4.8190 -4.4561 -4.4561 -0.6468 -0.6468 -0.6013 -0.6013 0.0301 0.0301 0.0793 0.0793 0.0923 0.0923 5.1931 5.1931 6.4562 6.4562 9.4004 9.4004 9.7915 9.7915 10.0209 10.0209 12.9128 12.9128 k = 0.0377 0.5000 0.0377 ( 1988 PWs) bands (ev): -20.0179 -20.0179 -6.6813 -6.6813 -4.8186 -4.8186 -4.4526 -4.4526 -0.6468 -0.6468 -0.6008 -0.6008 0.0298 0.0298 0.0807 0.0807 0.0922 0.0922 5.1970 5.1970 6.4311 6.4311 9.3824 9.3824 9.8211 9.8211 10.0018 10.0018 12.9576 12.9576 k = 0.0283 0.5000 0.0283 ( 1992 PWs) bands (ev): -20.0183 -20.0183 -6.6807 -6.6807 -4.8182 -4.8182 -4.4499 -4.4499 -0.6468 -0.6468 -0.6003 -0.6003 0.0297 0.0297 0.0817 0.0817 0.0922 0.0922 5.2002 5.2002 6.4115 6.4115 9.3684 9.3684 9.8401 9.8401 9.9916 9.9916 12.9921 12.9921 k = 0.0189 0.5000 0.0189 ( 1988 PWs) bands (ev): -20.0185 -20.0185 -6.6802 -6.6802 -4.8180 -4.8180 -4.4479 -4.4479 -0.6468 -0.6468 -0.5999 -0.5999 0.0296 0.0296 0.0825 0.0825 0.0923 0.0923 5.2026 5.2026 6.3975 6.3975 9.3584 9.3584 9.8496 9.8496 9.9886 9.9886 13.0166 13.0166 k = 0.0094 0.5000 0.0094 ( 1984 PWs) bands (ev): -20.0187 -20.0187 -6.6800 -6.6800 -4.8179 -4.8179 -4.4468 -4.4468 -0.6469 -0.6469 -0.5997 -0.5997 0.0295 0.0295 0.0829 0.0829 0.0923 0.0923 5.2040 5.2040 6.3890 6.3890 9.3523 9.3523 9.8531 9.8531 9.9892 9.9892 13.0313 13.0313 k = 0.0000 0.5000-0.0000 ( 1984 PWs) bands (ev): -20.0187 -20.0187 -6.6799 -6.6799 -4.8178 -4.8178 -4.4464 -4.4464 -0.6469 -0.6469 -0.5997 -0.5997 0.0295 0.0295 0.0830 0.0830 0.0923 0.0923 5.2045 5.2045 6.3862 6.3862 9.3503 9.3503 9.8538 9.8538 9.9898 9.9898 13.0361 13.0361 k = 0.5000 0.5000-0.0000 ( 2000 PWs) bands (ev): -19.9895 -19.9895 -6.7480 -6.7480 -4.9235 -4.9235 -4.5412 -4.5412 -0.6591 -0.6591 -0.6363 -0.6363 0.0061 0.0061 0.0294 0.0294 0.1135 0.1135 4.9209 4.9209 8.8406 8.8406 8.9309 8.9309 9.2722 9.2722 11.4260 11.4260 11.4692 11.4692 k = 0.5000 0.5000 0.0132 ( 2000 PWs) bands (ev): -19.9895 -19.9895 -6.7481 -6.7481 -4.9234 -4.9234 -4.5419 -4.5419 -0.6589 -0.6589 -0.6362 -0.6362 0.0062 0.0062 0.0296 0.0296 0.1136 0.1136 4.9223 4.9223 8.8358 8.8358 8.9253 8.9253 9.2763 9.2763 11.4312 11.4312 11.4755 11.4755 k = 0.5000 0.5000 0.0263 ( 2000 PWs) bands (ev): -19.9893 -19.9893 -6.7484 -6.7484 -4.9231 -4.9231 -4.5438 -4.5438 -0.6585 -0.6585 -0.6358 -0.6358 0.0064 0.0064 0.0302 0.0302 0.1137 0.1137 4.9264 4.9264 8.8216 8.8216 8.9087 8.9087 9.2884 9.2884 11.4468 11.4468 11.4941 11.4941 k = 0.5000 0.5000 0.0395 ( 1996 PWs) bands (ev): -19.9891 -19.9891 -6.7489 -6.7489 -4.9227 -4.9227 -4.5471 -4.5471 -0.6578 -0.6578 -0.6352 -0.6352 0.0068 0.0068 0.0311 0.0311 0.1140 0.1140 4.9334 4.9334 8.7983 8.7983 8.8817 8.8817 9.3086 9.3086 11.4722 11.4722 11.5245 11.5245 k = 0.5000 0.5000 0.0526 ( 2000 PWs) bands (ev): -19.9888 -19.9888 -6.7495 -6.7495 -4.9222 -4.9222 -4.5515 -4.5515 -0.6568 -0.6568 -0.6343 -0.6343 0.0074 0.0074 0.0325 0.0325 0.1144 0.1144 4.9432 4.9432 8.7668 8.7668 8.8452 8.8452 9.3368 9.3368 11.5070 11.5070 11.5657 11.5657 k = 0.5000 0.5000 0.0658 ( 2000 PWs) bands (ev): -19.9883 -19.9883 -6.7504 -6.7504 -4.9214 -4.9214 -4.5572 -4.5572 -0.6555 -0.6555 -0.6331 -0.6331 0.0081 0.0081 0.0341 0.0341 0.1148 0.1148 4.9557 4.9557 8.7277 8.7277 8.8001 8.8001 9.3728 9.3728 11.5501 11.5501 11.6165 11.6165 k = 0.5000 0.5000 0.0789 ( 2008 PWs) bands (ev): -19.9878 -19.9878 -6.7514 -6.7514 -4.9205 -4.9205 -4.5641 -4.5641 -0.6540 -0.6540 -0.6318 -0.6318 0.0089 0.0089 0.0362 0.0362 0.1154 0.1154 4.9711 4.9711 8.6821 8.6821 8.7478 8.7478 9.4167 9.4167 11.6007 11.6007 11.6755 11.6755 k = 0.5000 0.5000 0.0921 ( 2000 PWs) bands (ev): -19.9872 -19.9872 -6.7526 -6.7526 -4.9195 -4.9195 -4.5720 -4.5720 -0.6522 -0.6522 -0.6302 -0.6302 0.0099 0.0099 0.0386 0.0386 0.1160 0.1160 4.9893 4.9893 8.6309 8.6309 8.6893 8.6893 9.4684 9.4684 11.6578 11.6578 11.7403 11.7403 k = 0.5000 0.5000 0.1053 ( 2000 PWs) bands (ev): -19.9865 -19.9865 -6.7540 -6.7540 -4.9183 -4.9183 -4.5809 -4.5809 -0.6502 -0.6502 -0.6284 -0.6284 0.0110 0.0110 0.0412 0.0412 0.1168 0.1168 5.0103 5.0103 8.5750 8.5750 8.6258 8.6258 9.5277 9.5277 11.7205 11.7205 11.7956 11.7956 k = 0.5000 0.5000 0.1184 ( 2000 PWs) bands (ev): -19.9857 -19.9857 -6.7555 -6.7555 -4.9170 -4.9170 -4.5908 -4.5908 -0.6479 -0.6479 -0.6265 -0.6265 0.0123 0.0123 0.0443 0.0443 0.1176 0.1176 5.0342 5.0342 8.5154 8.5154 8.5584 8.5584 9.5946 9.5946 11.6749 11.6749 11.7879 11.7879 k = 0.5000 0.5000 0.1316 ( 2000 PWs) bands (ev): -19.9849 -19.9849 -6.7572 -6.7572 -4.9156 -4.9156 -4.6015 -4.6015 -0.6454 -0.6454 -0.6244 -0.6244 0.0136 0.0136 0.0475 0.0475 0.1185 0.1185 5.0610 5.0610 8.4528 8.4528 8.4880 8.4880 9.6690 9.6690 11.4863 11.4863 11.8590 11.8590 k = 0.5000 0.5000 0.1447 ( 2008 PWs) bands (ev): -19.9840 -19.9840 -6.7591 -6.7591 -4.9140 -4.9140 -4.6129 -4.6129 -0.6428 -0.6428 -0.6221 -0.6221 0.0150 0.0150 0.0511 0.0511 0.1195 0.1195 5.0906 5.0906 8.3881 8.3881 8.4155 8.4155 9.7508 9.7508 11.2960 11.2960 11.9332 11.9332 k = 0.5000 0.5000 0.1579 ( 2008 PWs) bands (ev): -19.9830 -19.9830 -6.7612 -6.7612 -4.9124 -4.9124 -4.6250 -4.6250 -0.6399 -0.6399 -0.6198 -0.6198 0.0166 0.0166 0.0549 0.0549 0.1205 0.1205 5.1231 5.1231 8.3219 8.3219 8.3417 8.3417 9.8397 9.8397 11.1066 11.1066 12.0097 12.0097 k = 0.5000 0.5000 0.1711 ( 2008 PWs) bands (ev): -19.9820 -19.9820 -6.7633 -6.7633 -4.9106 -4.9106 -4.6377 -4.6377 -0.6369 -0.6369 -0.6173 -0.6173 0.0181 0.0181 0.0589 0.0589 0.1216 0.1216 5.1586 5.1586 8.2549 8.2549 8.2671 8.2671 9.9358 9.9358 10.9188 10.9188 12.0878 12.0878 k = 0.5000 0.5000 0.1842 ( 2008 PWs) bands (ev): -19.9809 -19.9809 -6.7656 -6.7656 -4.9088 -4.9088 -4.6508 -4.6508 -0.6337 -0.6337 -0.6148 -0.6148 0.0198 0.0198 0.0632 0.0632 0.1228 0.1228 5.1970 5.1970 8.1875 8.1875 8.1925 8.1925 10.0387 10.0387 10.7330 10.7330 12.1671 12.1671 k = 0.5000 0.5000 0.1974 ( 2008 PWs) bands (ev): -19.9798 -19.9798 -6.7681 -6.7681 -4.9069 -4.9069 -4.6643 -4.6643 -0.6305 -0.6305 -0.6122 -0.6122 0.0215 0.0215 0.0676 0.0676 0.1240 0.1240 5.2383 5.2383 8.1182 8.1182 8.1203 8.1203 10.1484 10.1484 10.5492 10.5492 12.2470 12.2470 k = 0.5000 0.5000 0.2105 ( 2008 PWs) bands (ev): -19.9787 -19.9787 -6.7706 -6.7706 -4.9050 -4.9050 -4.6780 -4.6780 -0.6271 -0.6271 -0.6096 -0.6096 0.0233 0.0233 0.0721 0.0721 0.1252 0.1252 5.2826 5.2826 8.0448 8.0448 8.0537 8.0537 10.2647 10.2647 10.3676 10.3676 12.3272 12.3272 k = 0.5000 0.5000 0.2237 ( 2000 PWs) bands (ev): -19.9775 -19.9775 -6.7733 -6.7733 -4.9030 -4.9030 -4.6918 -4.6918 -0.6236 -0.6236 -0.6070 -0.6070 0.0250 0.0250 0.0767 0.0767 0.1265 0.1265 5.3300 5.3300 7.9726 7.9726 7.9880 7.9880 10.1884 10.1884 10.3874 10.3874 12.4071 12.4071 k = 0.5000 0.5000 0.2368 ( 1996 PWs) bands (ev): -19.9763 -19.9763 -6.7760 -6.7760 -4.9010 -4.9010 -4.7056 -4.7056 -0.6201 -0.6201 -0.6044 -0.6044 0.0268 0.0268 0.0814 0.0814 0.1277 0.1277 5.3803 5.3803 7.9020 7.9020 7.9237 7.9237 10.0115 10.0115 10.5162 10.5162 12.4864 12.4864 k = 0.5000 0.5000 0.2500 ( 1996 PWs) bands (ev): -19.9751 -19.9751 -6.7788 -6.7788 -4.8990 -4.8990 -4.7194 -4.7194 -0.6166 -0.6166 -0.6018 -0.6018 0.0286 0.0286 0.0862 0.0862 0.1290 0.1290 5.4337 5.4337 7.8333 7.8333 7.8610 7.8610 9.8372 9.8372 10.6510 10.6510 12.5649 12.5649 k = 0.5000 0.5000 0.2632 ( 1996 PWs) bands (ev): -19.9739 -19.9739 -6.7816 -6.7816 -4.8969 -4.8969 -4.7331 -4.7331 -0.6131 -0.6131 -0.5992 -0.5992 0.0304 0.0304 0.0909 0.0909 0.1303 0.1303 5.4902 5.4902 7.7668 7.7668 7.8002 7.8002 9.6654 9.6654 10.7914 10.7914 12.6422 12.6422 k = 0.5000 0.5000 0.2763 ( 1996 PWs) bands (ev): -19.9727 -19.9727 -6.7845 -6.7845 -4.8949 -4.8949 -4.7465 -4.7465 -0.6095 -0.6095 -0.5967 -0.5967 0.0322 0.0322 0.0957 0.0957 0.1316 0.1316 5.5497 5.5497 7.7027 7.7027 7.7415 7.7415 9.4963 9.4963 10.9373 10.9373 12.7180 12.7180 k = 0.5000 0.5000 0.2895 ( 1980 PWs) bands (ev): -19.9715 -19.9715 -6.7874 -6.7874 -4.8929 -4.8929 -4.7595 -4.7595 -0.6061 -0.6061 -0.5943 -0.5943 0.0339 0.0339 0.1003 0.1003 0.1328 0.1328 5.6123 5.6123 7.6412 7.6412 7.6852 7.6852 9.3299 9.3299 11.0883 11.0883 12.7921 12.7921 k = 0.5000 0.5000 0.3026 ( 1980 PWs) bands (ev): -19.9704 -19.9704 -6.7902 -6.7902 -4.8910 -4.8910 -4.7721 -4.7721 -0.6026 -0.6026 -0.5920 -0.5920 0.0356 0.0356 0.1049 0.1049 0.1341 0.1341 5.6781 5.6781 7.5825 7.5825 7.6314 7.6314 9.1663 9.1663 11.2440 11.2440 12.8643 12.8643 k = 0.5000 0.5000 0.3158 ( 1980 PWs) bands (ev): -19.9693 -19.9693 -6.7931 -6.7931 -4.8891 -4.8891 -4.7843 -4.7843 -0.5993 -0.5993 -0.5897 -0.5897 0.0372 0.0372 0.1094 0.1094 0.1353 0.1353 5.7470 5.7470 7.5269 7.5269 7.5803 7.5803 9.0055 9.0055 11.4041 11.4041 12.9343 12.9343 k = 0.5000 0.5000 0.3289 ( 1964 PWs) bands (ev): -19.9682 -19.9682 -6.7958 -6.7958 -4.8872 -4.8872 -4.7959 -4.7959 -0.5961 -0.5961 -0.5876 -0.5876 0.0388 0.0388 0.1137 0.1137 0.1364 0.1364 5.8190 5.8190 7.4745 7.4745 7.5322 7.5322 8.8476 8.8476 11.5682 11.5682 13.0021 13.0021 k = 0.5000 0.5000 0.3421 ( 1964 PWs) bands (ev): -19.9672 -19.9672 -6.7985 -6.7985 -4.8855 -4.8855 -4.8069 -4.8069 -0.5930 -0.5930 -0.5856 -0.5856 0.0403 0.0403 0.1179 0.1179 0.1375 0.1375 5.8941 5.8941 7.4253 7.4253 7.4870 7.4870 8.6927 8.6927 11.7356 11.7356 13.0673 13.0673 k = 0.5000 0.5000 0.3553 ( 1956 PWs) bands (ev): -19.9662 -19.9662 -6.8011 -6.8011 -4.8838 -4.8838 -4.8171 -4.8171 -0.5901 -0.5901 -0.5837 -0.5837 0.0417 0.0417 0.1218 0.1218 0.1386 0.1386 5.9724 5.9724 7.3796 7.3796 7.4451 7.4451 8.5409 8.5409 11.9057 11.9057 13.1300 13.1300 k = 0.5000 0.5000 0.3684 ( 1964 PWs) bands (ev): -19.9653 -19.9653 -6.8035 -6.8035 -4.8823 -4.8823 -4.8267 -4.8267 -0.5873 -0.5873 -0.5819 -0.5819 0.0430 0.0430 0.1255 0.1255 0.1395 0.1395 6.0539 6.0539 7.3375 7.3375 7.4064 7.4064 8.3921 8.3921 12.0777 12.0777 13.1902 13.1902 k = 0.5000 0.5000 0.3816 ( 1956 PWs) bands (ev): -19.9644 -19.9644 -6.8058 -6.8058 -4.8808 -4.8808 -4.8355 -4.8355 -0.5848 -0.5848 -0.5803 -0.5803 0.0443 0.0443 0.1289 0.1289 0.1404 0.1404 6.1384 6.1384 7.2991 7.2991 7.3711 7.3711 8.2465 8.2465 12.2503 12.2503 13.2482 13.2482 k = 0.5000 0.5000 0.3947 ( 1956 PWs) bands (ev): -19.9636 -19.9636 -6.8079 -6.8079 -4.8795 -4.8795 -4.8434 -4.8434 -0.5824 -0.5824 -0.5788 -0.5788 0.0454 0.0454 0.1321 0.1321 0.1413 0.1413 6.2260 6.2260 7.2643 7.2643 7.3392 7.3392 8.1042 8.1042 12.4219 12.4219 13.3045 13.3045 k = 0.5000 0.5000 0.4079 ( 1956 PWs) bands (ev): -19.9629 -19.9629 -6.8098 -6.8098 -4.8783 -4.8783 -4.8506 -4.8506 -0.5803 -0.5803 -0.5775 -0.5775 0.0464 0.0464 0.1349 0.1349 0.1420 0.1420 6.3167 6.3167 7.2334 7.2334 7.3110 7.3110 7.9654 7.9654 12.5902 12.5902 13.3604 13.3604 k = 0.5000 0.5000 0.4211 ( 1960 PWs) bands (ev): -19.9623 -19.9623 -6.8115 -6.8115 -4.8773 -4.8773 -4.8568 -4.8568 -0.5785 -0.5785 -0.5764 -0.5764 0.0472 0.0472 0.1374 0.1374 0.1427 0.1427 6.4102 6.4102 7.2064 7.2064 7.2863 7.2863 7.8301 7.8301 12.7513 12.7513 13.4179 13.4179 k = 0.5000 0.5000 0.4342 ( 1960 PWs) bands (ev): -19.9618 -19.9618 -6.8130 -6.8130 -4.8764 -4.8764 -4.8621 -4.8621 -0.5769 -0.5769 -0.5754 -0.5754 0.0480 0.0480 0.1395 0.1395 0.1432 0.1432 6.5064 6.5064 7.1831 7.1831 7.2654 7.2654 7.6987 7.6987 12.8995 12.8995 13.4808 13.4808 k = 0.5000 0.5000 0.4474 ( 1960 PWs) bands (ev): -19.9614 -19.9614 -6.8142 -6.8142 -4.8756 -4.8756 -4.8665 -4.8665 -0.5756 -0.5756 -0.5746 -0.5746 0.0486 0.0486 0.1413 0.1413 0.1437 0.1437 6.6050 6.6050 7.1634 7.1634 7.2481 7.2481 7.5719 7.5719 13.0267 13.0267 13.5543 13.5543 k = 0.5000 0.5000 0.4605 ( 1960 PWs) bands (ev): -19.9610 -19.9610 -6.8152 -6.8152 -4.8750 -4.8750 -4.8699 -4.8699 -0.5745 -0.5745 -0.5740 -0.5740 0.0491 0.0491 0.1427 0.1427 0.1440 0.1440 6.7050 6.7050 7.1469 7.1469 7.2347 7.2347 7.4511 7.4511 13.1251 13.1251 13.6415 13.6415 k = 0.5000 0.5000 0.4737 ( 1968 PWs) bands (ev): -19.9608 -19.9608 -6.8159 -6.8159 -4.8746 -4.8746 -4.8723 -4.8723 -0.5738 -0.5738 -0.5735 -0.5735 0.0495 0.0495 0.1437 0.1437 0.1443 0.1443 6.8044 6.8044 7.1318 7.1318 7.2251 7.2251 7.3401 7.3401 13.1914 13.1914 13.7372 13.7372 k = 0.5000 0.5000 0.4868 ( 1976 PWs) bands (ev): -19.9606 -19.9606 -6.8163 -6.8163 -4.8744 -4.8744 -4.8738 -4.8738 -0.5733 -0.5733 -0.5733 -0.5733 0.0497 0.0497 0.1443 0.1443 0.1445 0.1445 6.8957 6.8957 7.1124 7.1124 7.2193 7.2193 7.2521 7.2521 13.2283 13.2283 13.8208 13.8208 k = 0.5000 0.5000 0.5000 ( 2008 PWs) bands (ev): -19.9606 -19.9606 -6.8165 -6.8165 -4.8743 -4.8743 -4.8743 -4.8743 -0.5732 -0.5732 -0.5732 -0.5732 0.0498 0.0498 0.1445 0.1445 0.1445 0.1445 6.9443 6.9443 7.0933 7.0933 7.2174 7.2174 7.2174 7.2174 13.2399 13.2399 13.8565 13.8565 Writing output data file BaCd.save init_run : 0.36s CPU 0.52s WALL ( 1 calls) electrons : 40.39s CPU 41.50s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 40.38s CPU 41.50s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.09s CPU 0.16s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.02s WALL ( 291 calls) cegterg : 37.55s CPU 38.39s WALL ( 336 calls) Called by sum_band: Called by *egterg: h_psi : 15.80s CPU 16.48s WALL ( 5633 calls) s_psi : 0.95s CPU 0.94s WALL ( 5633 calls) g_psi : 0.07s CPU 0.06s WALL ( 5006 calls) cdiaghg : 19.16s CPU 19.37s WALL ( 5297 calls) cegterg:over : 1.20s CPU 1.35s WALL ( 5006 calls) cegterg:upda : 1.00s CPU 0.96s WALL ( 5006 calls) cegterg:last : 0.48s CPU 0.53s WALL ( 936 calls) cdiaghg:chol : 0.95s CPU 0.98s WALL ( 5297 calls) cdiaghg:inve : 0.53s CPU 0.52s WALL ( 5297 calls) cdiaghg:para : 1.10s CPU 1.10s WALL ( 10594 calls) Called by h_psi: h_psi:vloc : 13.66s CPU 14.24s WALL ( 5633 calls) h_psi:vnl : 2.12s CPU 2.21s WALL ( 5633 calls) add_vuspsi : 1.18s CPU 1.21s WALL ( 5633 calls) General routines calbec : 0.92s CPU 0.99s WALL ( 5633 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 11.91s CPU 12.34s WALL ( 377252 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.03s CPU 0.09s WALL ( 582 calls) Parallel routines fft_scatter : 7.36s CPU 7.67s WALL ( 377275 calls) PWSCF : 48.24s CPU 55.66s WALL This run was terminated on: 13:56:27 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=