Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21:12:30 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: ./TlSb.save/ file Tl.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 5D renormalized file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 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 28 21 6 688 435 74 Max 29 22 7 691 444 77 Sum 1033 761 241 24837 15791 2721 bravais-lattice index = 14 lattice parameter (alat) = 7.2943 a.u. unit-cell volume = 388.1132 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 18.00 number of Kohn-Sham states= 26 kinetic-energy cutoff = 45.0000 Ry charge density cutoff = 242.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.294342 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 Tl read from file: /users/gautes/Pseudo/Tl.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: cd969aa200d2b9b89aab382fbbb9d684 Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1281 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Sb read from file: /users/gautes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 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 Tl 13.00 204.38330 Tl( 1.00) Sb 5.00 121.76000 Sb( 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= 316 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 2) = ( 0.0000000 0.0121951 -0.0000000), wk = 0.0031646 k( 3) = ( 0.0000000 0.0243902 -0.0000000), wk = 0.0031646 k( 4) = ( 0.0000000 0.0365854 -0.0000000), wk = 0.0031646 k( 5) = ( 0.0000000 0.0487805 -0.0000000), wk = 0.0031646 k( 6) = ( 0.0000000 0.0609756 -0.0000000), wk = 0.0031646 k( 7) = ( 0.0000000 0.0731707 -0.0000000), wk = 0.0031646 k( 8) = ( 0.0000000 0.0853658 -0.0000000), wk = 0.0031646 k( 9) = ( 0.0000000 0.0975610 -0.0000000), wk = 0.0031646 k( 10) = ( 0.0000000 0.1097561 -0.0000000), wk = 0.0031646 k( 11) = ( 0.0000000 0.1219512 -0.0000000), wk = 0.0031646 k( 12) = ( 0.0000000 0.1341463 -0.0000000), wk = 0.0031646 k( 13) = ( 0.0000000 0.1463415 -0.0000000), wk = 0.0031646 k( 14) = ( 0.0000000 0.1585366 -0.0000000), wk = 0.0031646 k( 15) = ( 0.0000000 0.1707317 -0.0000000), wk = 0.0031646 k( 16) = ( 0.0000000 0.1829268 -0.0000000), wk = 0.0031646 k( 17) = ( 0.0000000 0.1951219 -0.0000000), wk = 0.0031646 k( 18) = ( 0.0000000 0.2073171 -0.0000000), wk = 0.0031646 k( 19) = ( 0.0000000 0.2195122 -0.0000000), wk = 0.0031646 k( 20) = ( 0.0000000 0.2317073 -0.0000000), wk = 0.0031646 k( 21) = ( 0.0000000 0.2439024 -0.0000000), wk = 0.0031646 k( 22) = ( 0.0000000 0.2560976 -0.0000000), wk = 0.0031646 k( 23) = ( 0.0000000 0.2682927 -0.0000000), wk = 0.0031646 k( 24) = ( 0.0000000 0.2804878 -0.0000000), wk = 0.0031646 k( 25) = ( 0.0000000 0.2926829 -0.0000000), wk = 0.0031646 k( 26) = ( 0.0000000 0.3048781 -0.0000000), wk = 0.0031646 k( 27) = ( 0.0000000 0.3170732 -0.0000000), wk = 0.0031646 k( 28) = ( 0.0000000 0.3292683 -0.0000000), wk = 0.0031646 k( 29) = ( 0.0000000 0.3414634 -0.0000000), wk = 0.0031646 k( 30) = ( 0.0000000 0.3536585 -0.0000000), wk = 0.0031646 k( 31) = ( 0.0000000 0.3658537 -0.0000000), wk = 0.0031646 k( 32) = ( 0.0000000 0.3780488 -0.0000000), wk = 0.0031646 k( 33) = ( 0.0000000 0.3902439 -0.0000000), wk = 0.0031646 k( 34) = ( 0.0000000 0.4024390 -0.0000000), wk = 0.0031646 k( 35) = ( 0.0000000 0.4146341 -0.0000000), wk = 0.0031646 k( 36) = ( 0.0000000 0.4268293 -0.0000000), wk = 0.0031646 k( 37) = ( 0.0000000 0.4390244 -0.0000000), wk = 0.0031646 k( 38) = ( 0.0000000 0.4512195 -0.0000000), wk = 0.0031646 k( 39) = ( 0.0000000 0.4634146 -0.0000000), wk = 0.0031646 k( 40) = ( 0.0000000 0.4756098 -0.0000000), wk = 0.0031646 k( 41) = ( 0.0000000 0.4878049 -0.0000000), wk = 0.0031646 k( 42) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031646 k( 43) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031646 k( 44) = ( 0.0121951 0.5000000 -0.0000000), wk = 0.0031646 k( 45) = ( 0.0243902 0.5000000 -0.0000000), wk = 0.0031646 k( 46) = ( 0.0365854 0.5000000 -0.0000000), wk = 0.0031646 k( 47) = ( 0.0487805 0.5000000 -0.0000000), wk = 0.0031646 k( 48) = ( 0.0609756 0.5000000 -0.0000000), wk = 0.0031646 k( 49) = ( 0.0731707 0.5000000 -0.0000000), wk = 0.0031646 k( 50) = ( 0.0853658 0.5000000 -0.0000000), wk = 0.0031646 k( 51) = ( 0.0975610 0.5000000 -0.0000000), wk = 0.0031646 k( 52) = ( 0.1097561 0.5000000 -0.0000000), wk = 0.0031646 k( 53) = ( 0.1219512 0.5000000 -0.0000000), wk = 0.0031646 k( 54) = ( 0.1341463 0.5000000 -0.0000000), wk = 0.0031646 k( 55) = ( 0.1463415 0.5000000 -0.0000000), wk = 0.0031646 k( 56) = ( 0.1585366 0.5000000 -0.0000000), wk = 0.0031646 k( 57) = ( 0.1707317 0.5000000 -0.0000000), wk = 0.0031646 k( 58) = ( 0.1829268 0.5000000 -0.0000000), wk = 0.0031646 k( 59) = ( 0.1951219 0.5000000 -0.0000000), wk = 0.0031646 k( 60) = ( 0.2073171 0.5000000 -0.0000000), wk = 0.0031646 k( 61) = ( 0.2195122 0.5000000 -0.0000000), wk = 0.0031646 k( 62) = ( 0.2317073 0.5000000 -0.0000000), wk = 0.0031646 k( 63) = ( 0.2439024 0.5000000 -0.0000000), wk = 0.0031646 k( 64) = ( 0.2560976 0.5000000 -0.0000000), wk = 0.0031646 k( 65) = ( 0.2682927 0.5000000 -0.0000000), wk = 0.0031646 k( 66) = ( 0.2804878 0.5000000 -0.0000000), wk = 0.0031646 k( 67) = ( 0.2926829 0.5000000 -0.0000000), wk = 0.0031646 k( 68) = ( 0.3048781 0.5000000 -0.0000000), wk = 0.0031646 k( 69) = ( 0.3170732 0.5000000 -0.0000000), wk = 0.0031646 k( 70) = ( 0.3292683 0.5000000 -0.0000000), wk = 0.0031646 k( 71) = ( 0.3414634 0.5000000 -0.0000000), wk = 0.0031646 k( 72) = ( 0.3536585 0.5000000 -0.0000000), wk = 0.0031646 k( 73) = ( 0.3658537 0.5000000 -0.0000000), wk = 0.0031646 k( 74) = ( 0.3780488 0.5000000 -0.0000000), wk = 0.0031646 k( 75) = ( 0.3902439 0.5000000 -0.0000000), wk = 0.0031646 k( 76) = ( 0.4024390 0.5000000 -0.0000000), wk = 0.0031646 k( 77) = ( 0.4146341 0.5000000 -0.0000000), wk = 0.0031646 k( 78) = ( 0.4268293 0.5000000 -0.0000000), wk = 0.0031646 k( 79) = ( 0.4390244 0.5000000 -0.0000000), wk = 0.0031646 k( 80) = ( 0.4512195 0.5000000 -0.0000000), wk = 0.0031646 k( 81) = ( 0.4634146 0.5000000 -0.0000000), wk = 0.0031646 k( 82) = ( 0.4756098 0.5000000 -0.0000000), wk = 0.0031646 k( 83) = ( 0.4878049 0.5000000 -0.0000000), wk = 0.0031646 k( 84) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031646 k( 85) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031646 k( 86) = ( 0.4913793 0.4913793 -0.0000000), wk = 0.0031646 k( 87) = ( 0.4827586 0.4827586 -0.0000000), wk = 0.0031646 k( 88) = ( 0.4741379 0.4741379 -0.0000000), wk = 0.0031646 k( 89) = ( 0.4655172 0.4655172 -0.0000000), wk = 0.0031646 k( 90) = ( 0.4568966 0.4568965 -0.0000000), wk = 0.0031646 k( 91) = ( 0.4482759 0.4482759 -0.0000000), wk = 0.0031646 k( 92) = ( 0.4396552 0.4396552 -0.0000000), wk = 0.0031646 k( 93) = ( 0.4310345 0.4310345 -0.0000000), wk = 0.0031646 k( 94) = ( 0.4224138 0.4224138 -0.0000000), wk = 0.0031646 k( 95) = ( 0.4137931 0.4137931 -0.0000000), wk = 0.0031646 k( 96) = ( 0.4051724 0.4051724 -0.0000000), wk = 0.0031646 k( 97) = ( 0.3965517 0.3965517 -0.0000000), wk = 0.0031646 k( 98) = ( 0.3879310 0.3879310 -0.0000000), wk = 0.0031646 k( 99) = ( 0.3793103 0.3793103 -0.0000000), wk = 0.0031646 k( 100) = ( 0.3706897 0.3706897 -0.0000000), wk = 0.0031646 k( 101) = ( 0.3620690 0.3620690 -0.0000000), wk = 0.0031646 k( 102) = ( 0.3534483 0.3534483 -0.0000000), wk = 0.0031646 k( 103) = ( 0.3448276 0.3448276 -0.0000000), wk = 0.0031646 k( 104) = ( 0.3362069 0.3362069 -0.0000000), wk = 0.0031646 k( 105) = ( 0.3275862 0.3275862 -0.0000000), wk = 0.0031646 k( 106) = ( 0.3189655 0.3189655 -0.0000000), wk = 0.0031646 k( 107) = ( 0.3103448 0.3103448 -0.0000000), wk = 0.0031646 k( 108) = ( 0.3017241 0.3017241 -0.0000000), wk = 0.0031646 k( 109) = ( 0.2931034 0.2931034 -0.0000000), wk = 0.0031646 k( 110) = ( 0.2844828 0.2844828 -0.0000000), wk = 0.0031646 k( 111) = ( 0.2758621 0.2758621 -0.0000000), wk = 0.0031646 k( 112) = ( 0.2672414 0.2672414 -0.0000000), wk = 0.0031646 k( 113) = ( 0.2586207 0.2586207 -0.0000000), wk = 0.0031646 k( 114) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0031646 k( 115) = ( 0.2413793 0.2413793 -0.0000000), wk = 0.0031646 k( 116) = ( 0.2327586 0.2327586 -0.0000000), wk = 0.0031646 k( 117) = ( 0.2241379 0.2241379 -0.0000000), wk = 0.0031646 k( 118) = ( 0.2155172 0.2155172 -0.0000000), wk = 0.0031646 k( 119) = ( 0.2068966 0.2068965 -0.0000000), wk = 0.0031646 k( 120) = ( 0.1982759 0.1982759 -0.0000000), wk = 0.0031646 k( 121) = ( 0.1896552 0.1896552 -0.0000000), wk = 0.0031646 k( 122) = ( 0.1810345 0.1810345 -0.0000000), wk = 0.0031646 k( 123) = ( 0.1724138 0.1724138 -0.0000000), wk = 0.0031646 k( 124) = ( 0.1637931 0.1637931 -0.0000000), wk = 0.0031646 k( 125) = ( 0.1551724 0.1551724 -0.0000000), wk = 0.0031646 k( 126) = ( 0.1465517 0.1465517 -0.0000000), wk = 0.0031646 k( 127) = ( 0.1379310 0.1379310 -0.0000000), wk = 0.0031646 k( 128) = ( 0.1293103 0.1293103 -0.0000000), wk = 0.0031646 k( 129) = ( 0.1206897 0.1206897 -0.0000000), wk = 0.0031646 k( 130) = ( 0.1120690 0.1120690 -0.0000000), wk = 0.0031646 k( 131) = ( 0.1034483 0.1034483 -0.0000000), wk = 0.0031646 k( 132) = ( 0.0948276 0.0948276 -0.0000000), wk = 0.0031646 k( 133) = ( 0.0862069 0.0862069 -0.0000000), wk = 0.0031646 k( 134) = ( 0.0775862 0.0775862 -0.0000000), wk = 0.0031646 k( 135) = ( 0.0689655 0.0689655 -0.0000000), wk = 0.0031646 k( 136) = ( 0.0603448 0.0603448 -0.0000000), wk = 0.0031646 k( 137) = ( 0.0517241 0.0517241 -0.0000000), wk = 0.0031646 k( 138) = ( 0.0431035 0.0431034 -0.0000000), wk = 0.0031646 k( 139) = ( 0.0344828 0.0344828 -0.0000000), wk = 0.0031646 k( 140) = ( 0.0258621 0.0258621 -0.0000000), wk = 0.0031646 k( 141) = ( 0.0172414 0.0172414 -0.0000000), wk = 0.0031646 k( 142) = ( 0.0086207 0.0086207 -0.0000000), wk = 0.0031646 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 145) = ( 0.0070422 0.0070422 0.0070422), wk = 0.0031646 k( 146) = ( 0.0140845 0.0140845 0.0140845), wk = 0.0031646 k( 147) = ( 0.0211268 0.0211268 0.0211268), wk = 0.0031646 k( 148) = ( 0.0281690 0.0281690 0.0281690), wk = 0.0031646 k( 149) = ( 0.0352113 0.0352113 0.0352113), wk = 0.0031646 k( 150) = ( 0.0422535 0.0422535 0.0422535), wk = 0.0031646 k( 151) = ( 0.0492958 0.0492958 0.0492958), wk = 0.0031646 k( 152) = ( 0.0563380 0.0563380 0.0563380), wk = 0.0031646 k( 153) = ( 0.0633803 0.0633803 0.0633803), wk = 0.0031646 k( 154) = ( 0.0704225 0.0704225 0.0704225), wk = 0.0031646 k( 155) = ( 0.0774648 0.0774648 0.0774648), wk = 0.0031646 k( 156) = ( 0.0845070 0.0845070 0.0845070), wk = 0.0031646 k( 157) = ( 0.0915493 0.0915493 0.0915493), wk = 0.0031646 k( 158) = ( 0.0985916 0.0985915 0.0985915), wk = 0.0031646 k( 159) = ( 0.1056338 0.1056338 0.1056338), wk = 0.0031646 k( 160) = ( 0.1126761 0.1126761 0.1126761), wk = 0.0031646 k( 161) = ( 0.1197183 0.1197183 0.1197183), wk = 0.0031646 k( 162) = ( 0.1267606 0.1267606 0.1267606), wk = 0.0031646 k( 163) = ( 0.1338028 0.1338028 0.1338028), wk = 0.0031646 k( 164) = ( 0.1408451 0.1408451 0.1408451), wk = 0.0031646 k( 165) = ( 0.1478873 0.1478873 0.1478873), wk = 0.0031646 k( 166) = ( 0.1549296 0.1549296 0.1549296), wk = 0.0031646 k( 167) = ( 0.1619718 0.1619718 0.1619718), wk = 0.0031646 k( 168) = ( 0.1690141 0.1690141 0.1690141), wk = 0.0031646 k( 169) = ( 0.1760563 0.1760563 0.1760563), wk = 0.0031646 k( 170) = ( 0.1830986 0.1830986 0.1830986), wk = 0.0031646 k( 171) = ( 0.1901409 0.1901408 0.1901408), wk = 0.0031646 k( 172) = ( 0.1971831 0.1971831 0.1971831), wk = 0.0031646 k( 173) = ( 0.2042253 0.2042253 0.2042253), wk = 0.0031646 k( 174) = ( 0.2112676 0.2112676 0.2112676), wk = 0.0031646 k( 175) = ( 0.2183099 0.2183099 0.2183099), wk = 0.0031646 k( 176) = ( 0.2253521 0.2253521 0.2253521), wk = 0.0031646 k( 177) = ( 0.2323944 0.2323944 0.2323944), wk = 0.0031646 k( 178) = ( 0.2394366 0.2394366 0.2394366), wk = 0.0031646 k( 179) = ( 0.2464789 0.2464789 0.2464789), wk = 0.0031646 k( 180) = ( 0.2535211 0.2535211 0.2535211), wk = 0.0031646 k( 181) = ( 0.2605634 0.2605634 0.2605634), wk = 0.0031646 k( 182) = ( 0.2676056 0.2676056 0.2676056), wk = 0.0031646 k( 183) = ( 0.2746479 0.2746479 0.2746479), wk = 0.0031646 k( 184) = ( 0.2816901 0.2816901 0.2816901), wk = 0.0031646 k( 185) = ( 0.2887324 0.2887324 0.2887324), wk = 0.0031646 k( 186) = ( 0.2957746 0.2957746 0.2957746), wk = 0.0031646 k( 187) = ( 0.3028169 0.3028169 0.3028169), wk = 0.0031646 k( 188) = ( 0.3098592 0.3098591 0.3098591), wk = 0.0031646 k( 189) = ( 0.3169014 0.3169014 0.3169014), wk = 0.0031646 k( 190) = ( 0.3239437 0.3239437 0.3239437), wk = 0.0031646 k( 191) = ( 0.3309859 0.3309859 0.3309859), wk = 0.0031646 k( 192) = ( 0.3380282 0.3380282 0.3380282), wk = 0.0031646 k( 193) = ( 0.3450704 0.3450704 0.3450704), wk = 0.0031646 k( 194) = ( 0.3521127 0.3521127 0.3521127), wk = 0.0031646 k( 195) = ( 0.3591549 0.3591549 0.3591549), wk = 0.0031646 k( 196) = ( 0.3661972 0.3661972 0.3661972), wk = 0.0031646 k( 197) = ( 0.3732394 0.3732394 0.3732394), wk = 0.0031646 k( 198) = ( 0.3802817 0.3802817 0.3802817), wk = 0.0031646 k( 199) = ( 0.3873239 0.3873239 0.3873239), wk = 0.0031646 k( 200) = ( 0.3943662 0.3943662 0.3943662), wk = 0.0031646 k( 201) = ( 0.4014085 0.4014084 0.4014084), wk = 0.0031646 k( 202) = ( 0.4084507 0.4084507 0.4084507), wk = 0.0031646 k( 203) = ( 0.4154930 0.4154930 0.4154930), wk = 0.0031646 k( 204) = ( 0.4225352 0.4225352 0.4225352), wk = 0.0031646 k( 205) = ( 0.4295775 0.4295775 0.4295775), wk = 0.0031646 k( 206) = ( 0.4366197 0.4366197 0.4366197), wk = 0.0031646 k( 207) = ( 0.4436620 0.4436620 0.4436620), wk = 0.0031646 k( 208) = ( 0.4507042 0.4507042 0.4507042), wk = 0.0031646 k( 209) = ( 0.4577465 0.4577465 0.4577465), wk = 0.0031646 k( 210) = ( 0.4647887 0.4647887 0.4647887), wk = 0.0031646 k( 211) = ( 0.4718310 0.4718310 0.4718310), wk = 0.0031646 k( 212) = ( 0.4788732 0.4788732 0.4788732), wk = 0.0031646 k( 213) = ( 0.4859155 0.4859155 0.4859155), wk = 0.0031646 k( 214) = ( 0.4929577 0.4929577 0.4929577), wk = 0.0031646 k( 215) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031646 k( 216) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031646 k( 217) = ( 0.4913793 0.5000000 0.4913793), wk = 0.0031646 k( 218) = ( 0.4827586 0.5000000 0.4827586), wk = 0.0031646 k( 219) = ( 0.4741379 0.5000000 0.4741379), wk = 0.0031646 k( 220) = ( 0.4655172 0.5000000 0.4655172), wk = 0.0031646 k( 221) = ( 0.4568966 0.5000000 0.4568965), wk = 0.0031646 k( 222) = ( 0.4482759 0.5000000 0.4482759), wk = 0.0031646 k( 223) = ( 0.4396552 0.5000000 0.4396552), wk = 0.0031646 k( 224) = ( 0.4310345 0.5000000 0.4310345), wk = 0.0031646 k( 225) = ( 0.4224138 0.5000000 0.4224138), wk = 0.0031646 k( 226) = ( 0.4137931 0.5000000 0.4137931), wk = 0.0031646 k( 227) = ( 0.4051724 0.5000000 0.4051724), wk = 0.0031646 k( 228) = ( 0.3965517 0.5000000 0.3965517), wk = 0.0031646 k( 229) = ( 0.3879310 0.5000000 0.3879310), wk = 0.0031646 k( 230) = ( 0.3793103 0.5000000 0.3793103), wk = 0.0031646 k( 231) = ( 0.3706897 0.5000000 0.3706897), wk = 0.0031646 k( 232) = ( 0.3620690 0.5000000 0.3620690), wk = 0.0031646 k( 233) = ( 0.3534483 0.5000000 0.3534483), wk = 0.0031646 k( 234) = ( 0.3448276 0.5000000 0.3448276), wk = 0.0031646 k( 235) = ( 0.3362069 0.5000000 0.3362069), wk = 0.0031646 k( 236) = ( 0.3275862 0.5000000 0.3275862), wk = 0.0031646 k( 237) = ( 0.3189655 0.5000000 0.3189655), wk = 0.0031646 k( 238) = ( 0.3103448 0.5000000 0.3103448), wk = 0.0031646 k( 239) = ( 0.3017241 0.5000000 0.3017241), wk = 0.0031646 k( 240) = ( 0.2931034 0.5000000 0.2931034), wk = 0.0031646 k( 241) = ( 0.2844828 0.5000000 0.2844828), wk = 0.0031646 k( 242) = ( 0.2758621 0.5000000 0.2758621), wk = 0.0031646 k( 243) = ( 0.2672414 0.5000000 0.2672414), wk = 0.0031646 k( 244) = ( 0.2586207 0.5000000 0.2586207), wk = 0.0031646 k( 245) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0031646 k( 246) = ( 0.2413793 0.5000000 0.2413793), wk = 0.0031646 k( 247) = ( 0.2327586 0.5000000 0.2327586), wk = 0.0031646 k( 248) = ( 0.2241379 0.5000000 0.2241379), wk = 0.0031646 k( 249) = ( 0.2155172 0.5000000 0.2155172), wk = 0.0031646 k( 250) = ( 0.2068966 0.5000000 0.2068965), wk = 0.0031646 k( 251) = ( 0.1982759 0.5000000 0.1982759), wk = 0.0031646 k( 252) = ( 0.1896552 0.5000000 0.1896552), wk = 0.0031646 k( 253) = ( 0.1810345 0.5000000 0.1810345), wk = 0.0031646 k( 254) = ( 0.1724138 0.5000000 0.1724138), wk = 0.0031646 k( 255) = ( 0.1637931 0.5000000 0.1637931), wk = 0.0031646 k( 256) = ( 0.1551724 0.5000000 0.1551724), wk = 0.0031646 k( 257) = ( 0.1465517 0.5000000 0.1465517), wk = 0.0031646 k( 258) = ( 0.1379310 0.5000000 0.1379310), wk = 0.0031646 k( 259) = ( 0.1293103 0.5000000 0.1293103), wk = 0.0031646 k( 260) = ( 0.1206897 0.5000000 0.1206897), wk = 0.0031646 k( 261) = ( 0.1120690 0.5000000 0.1120690), wk = 0.0031646 k( 262) = ( 0.1034483 0.5000000 0.1034483), wk = 0.0031646 k( 263) = ( 0.0948276 0.5000000 0.0948276), wk = 0.0031646 k( 264) = ( 0.0862069 0.5000000 0.0862069), wk = 0.0031646 k( 265) = ( 0.0775862 0.5000000 0.0775862), wk = 0.0031646 k( 266) = ( 0.0689655 0.5000000 0.0689655), wk = 0.0031646 k( 267) = ( 0.0603448 0.5000000 0.0603448), wk = 0.0031646 k( 268) = ( 0.0517241 0.5000000 0.0517241), wk = 0.0031646 k( 269) = ( 0.0431035 0.5000000 0.0431034), wk = 0.0031646 k( 270) = ( 0.0344828 0.5000000 0.0344828), wk = 0.0031646 k( 271) = ( 0.0258621 0.5000000 0.0258621), wk = 0.0031646 k( 272) = ( 0.0172414 0.5000000 0.0172414), wk = 0.0031646 k( 273) = ( 0.0086207 0.5000000 0.0086207), wk = 0.0031646 k( 274) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031646 k( 275) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031646 k( 276) = ( 0.5000000 0.5000000 0.0121951), wk = 0.0031646 k( 277) = ( 0.5000000 0.5000000 0.0243902), wk = 0.0031646 k( 278) = ( 0.5000000 0.5000000 0.0365854), wk = 0.0031646 k( 279) = ( 0.5000000 0.5000000 0.0487805), wk = 0.0031646 k( 280) = ( 0.5000000 0.5000000 0.0609756), wk = 0.0031646 k( 281) = ( 0.5000000 0.5000000 0.0731707), wk = 0.0031646 k( 282) = ( 0.5000000 0.5000000 0.0853658), wk = 0.0031646 k( 283) = ( 0.5000000 0.5000000 0.0975610), wk = 0.0031646 k( 284) = ( 0.5000000 0.5000000 0.1097561), wk = 0.0031646 k( 285) = ( 0.5000000 0.5000000 0.1219512), wk = 0.0031646 k( 286) = ( 0.5000000 0.5000000 0.1341463), wk = 0.0031646 k( 287) = ( 0.5000000 0.5000000 0.1463415), wk = 0.0031646 k( 288) = ( 0.5000000 0.5000000 0.1585366), wk = 0.0031646 k( 289) = ( 0.5000000 0.5000000 0.1707317), wk = 0.0031646 k( 290) = ( 0.5000000 0.5000000 0.1829268), wk = 0.0031646 k( 291) = ( 0.5000000 0.5000000 0.1951219), wk = 0.0031646 k( 292) = ( 0.5000000 0.5000000 0.2073171), wk = 0.0031646 k( 293) = ( 0.5000000 0.5000000 0.2195122), wk = 0.0031646 k( 294) = ( 0.5000000 0.5000000 0.2317073), wk = 0.0031646 k( 295) = ( 0.5000000 0.5000000 0.2439024), wk = 0.0031646 k( 296) = ( 0.5000000 0.5000000 0.2560976), wk = 0.0031646 k( 297) = ( 0.5000000 0.5000000 0.2682927), wk = 0.0031646 k( 298) = ( 0.5000000 0.5000000 0.2804878), wk = 0.0031646 k( 299) = ( 0.5000000 0.5000000 0.2926829), wk = 0.0031646 k( 300) = ( 0.5000000 0.5000000 0.3048780), wk = 0.0031646 k( 301) = ( 0.5000000 0.5000000 0.3170732), wk = 0.0031646 k( 302) = ( 0.5000000 0.5000000 0.3292683), wk = 0.0031646 k( 303) = ( 0.5000000 0.5000000 0.3414634), wk = 0.0031646 k( 304) = ( 0.5000000 0.5000000 0.3536585), wk = 0.0031646 k( 305) = ( 0.5000000 0.5000000 0.3658537), wk = 0.0031646 k( 306) = ( 0.5000000 0.5000000 0.3780488), wk = 0.0031646 k( 307) = ( 0.5000000 0.5000000 0.3902439), wk = 0.0031646 k( 308) = ( 0.5000000 0.5000000 0.4024390), wk = 0.0031646 k( 309) = ( 0.5000000 0.5000000 0.4146341), wk = 0.0031646 k( 310) = ( 0.5000000 0.5000000 0.4268293), wk = 0.0031646 k( 311) = ( 0.5000000 0.5000000 0.4390244), wk = 0.0031646 k( 312) = ( 0.5000000 0.5000000 0.4512195), wk = 0.0031646 k( 313) = ( 0.5000000 0.5000000 0.4634146), wk = 0.0031646 k( 314) = ( 0.5000000 0.5000000 0.4756098), wk = 0.0031646 k( 315) = ( 0.5000000 0.5000000 0.4878049), wk = 0.0031646 k( 316) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031646 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 2) = ( 0.0000000 0.0121951 0.0000000), wk = 0.0031646 k( 3) = ( 0.0000000 0.0243902 0.0000000), wk = 0.0031646 k( 4) = ( 0.0000000 0.0365854 0.0000000), wk = 0.0031646 k( 5) = ( 0.0000000 0.0487805 0.0000000), wk = 0.0031646 k( 6) = ( 0.0000000 0.0609756 0.0000000), wk = 0.0031646 k( 7) = ( 0.0000000 0.0731707 0.0000000), wk = 0.0031646 k( 8) = ( 0.0000000 0.0853658 0.0000000), wk = 0.0031646 k( 9) = ( 0.0000000 0.0975610 0.0000000), wk = 0.0031646 k( 10) = ( 0.0000000 0.1097561 0.0000000), wk = 0.0031646 k( 11) = ( 0.0000000 0.1219512 0.0000000), wk = 0.0031646 k( 12) = ( 0.0000000 0.1341463 0.0000000), wk = 0.0031646 k( 13) = ( 0.0000000 0.1463415 0.0000000), wk = 0.0031646 k( 14) = ( 0.0000000 0.1585366 0.0000000), wk = 0.0031646 k( 15) = ( 0.0000000 0.1707317 0.0000000), wk = 0.0031646 k( 16) = ( 0.0000000 0.1829268 0.0000000), wk = 0.0031646 k( 17) = ( 0.0000000 0.1951219 0.0000000), wk = 0.0031646 k( 18) = ( 0.0000000 0.2073171 0.0000000), wk = 0.0031646 k( 19) = ( 0.0000000 0.2195122 0.0000000), wk = 0.0031646 k( 20) = ( 0.0000000 0.2317073 0.0000000), wk = 0.0031646 k( 21) = ( 0.0000000 0.2439024 0.0000000), wk = 0.0031646 k( 22) = ( 0.0000000 0.2560976 0.0000000), wk = 0.0031646 k( 23) = ( 0.0000000 0.2682927 0.0000000), wk = 0.0031646 k( 24) = ( 0.0000000 0.2804878 0.0000000), wk = 0.0031646 k( 25) = ( 0.0000000 0.2926829 0.0000000), wk = 0.0031646 k( 26) = ( 0.0000000 0.3048781 0.0000000), wk = 0.0031646 k( 27) = ( 0.0000000 0.3170732 0.0000000), wk = 0.0031646 k( 28) = ( 0.0000000 0.3292683 0.0000000), wk = 0.0031646 k( 29) = ( 0.0000000 0.3414634 0.0000000), wk = 0.0031646 k( 30) = ( 0.0000000 0.3536585 0.0000000), wk = 0.0031646 k( 31) = ( 0.0000000 0.3658537 0.0000000), wk = 0.0031646 k( 32) = ( 0.0000000 0.3780488 0.0000000), wk = 0.0031646 k( 33) = ( 0.0000000 0.3902439 0.0000000), wk = 0.0031646 k( 34) = ( 0.0000000 0.4024390 0.0000000), wk = 0.0031646 k( 35) = ( 0.0000000 0.4146341 0.0000000), wk = 0.0031646 k( 36) = ( 0.0000000 0.4268293 0.0000000), wk = 0.0031646 k( 37) = ( 0.0000000 0.4390244 0.0000000), wk = 0.0031646 k( 38) = ( 0.0000000 0.4512195 0.0000000), wk = 0.0031646 k( 39) = ( 0.0000000 0.4634146 0.0000000), wk = 0.0031646 k( 40) = ( 0.0000000 0.4756098 0.0000000), wk = 0.0031646 k( 41) = ( 0.0000000 0.4878049 0.0000000), wk = 0.0031646 k( 42) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0031646 k( 43) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0031646 k( 44) = ( 0.0121951 0.5000000 0.0000000), wk = 0.0031646 k( 45) = ( 0.0243902 0.5000000 0.0000000), wk = 0.0031646 k( 46) = ( 0.0365854 0.5000000 0.0000000), wk = 0.0031646 k( 47) = ( 0.0487805 0.5000000 0.0000000), wk = 0.0031646 k( 48) = ( 0.0609756 0.5000000 0.0000000), wk = 0.0031646 k( 49) = ( 0.0731707 0.5000000 0.0000000), wk = 0.0031646 k( 50) = ( 0.0853658 0.5000000 0.0000000), wk = 0.0031646 k( 51) = ( 0.0975610 0.5000000 0.0000000), wk = 0.0031646 k( 52) = ( 0.1097561 0.5000000 0.0000000), wk = 0.0031646 k( 53) = ( 0.1219512 0.5000000 0.0000000), wk = 0.0031646 k( 54) = ( 0.1341463 0.5000000 0.0000000), wk = 0.0031646 k( 55) = ( 0.1463415 0.5000000 0.0000000), wk = 0.0031646 k( 56) = ( 0.1585366 0.5000000 0.0000000), wk = 0.0031646 k( 57) = ( 0.1707317 0.5000000 0.0000000), wk = 0.0031646 k( 58) = ( 0.1829268 0.5000000 0.0000000), wk = 0.0031646 k( 59) = ( 0.1951219 0.5000000 0.0000000), wk = 0.0031646 k( 60) = ( 0.2073171 0.5000000 0.0000000), wk = 0.0031646 k( 61) = ( 0.2195122 0.5000000 0.0000000), wk = 0.0031646 k( 62) = ( 0.2317073 0.5000000 0.0000000), wk = 0.0031646 k( 63) = ( 0.2439024 0.5000000 0.0000000), wk = 0.0031646 k( 64) = ( 0.2560976 0.5000000 0.0000000), wk = 0.0031646 k( 65) = ( 0.2682927 0.5000000 0.0000000), wk = 0.0031646 k( 66) = ( 0.2804878 0.5000000 0.0000000), wk = 0.0031646 k( 67) = ( 0.2926829 0.5000000 0.0000000), wk = 0.0031646 k( 68) = ( 0.3048781 0.5000000 0.0000000), wk = 0.0031646 k( 69) = ( 0.3170732 0.5000000 0.0000000), wk = 0.0031646 k( 70) = ( 0.3292683 0.5000000 -0.0000000), wk = 0.0031646 k( 71) = ( 0.3414634 0.5000000 0.0000000), wk = 0.0031646 k( 72) = ( 0.3536585 0.5000000 -0.0000000), wk = 0.0031646 k( 73) = ( 0.3658537 0.5000000 0.0000000), wk = 0.0031646 k( 74) = ( 0.3780488 0.5000000 0.0000000), wk = 0.0031646 k( 75) = ( 0.3902439 0.5000000 0.0000000), wk = 0.0031646 k( 76) = ( 0.4024390 0.5000000 -0.0000000), wk = 0.0031646 k( 77) = ( 0.4146341 0.5000000 0.0000000), wk = 0.0031646 k( 78) = ( 0.4268293 0.5000000 0.0000000), wk = 0.0031646 k( 79) = ( 0.4390244 0.5000000 0.0000000), wk = 0.0031646 k( 80) = ( 0.4512195 0.5000000 0.0000000), wk = 0.0031646 k( 81) = ( 0.4634146 0.5000000 0.0000000), wk = 0.0031646 k( 82) = ( 0.4756098 0.5000000 0.0000000), wk = 0.0031646 k( 83) = ( 0.4878049 0.5000000 0.0000000), wk = 0.0031646 k( 84) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0031646 k( 85) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0031646 k( 86) = ( 0.4913793 0.4913793 0.0000000), wk = 0.0031646 k( 87) = ( 0.4827586 0.4827586 0.0000000), wk = 0.0031646 k( 88) = ( 0.4741379 0.4741379 0.0000000), wk = 0.0031646 k( 89) = ( 0.4655172 0.4655172 0.0000000), wk = 0.0031646 k( 90) = ( 0.4568966 0.4568966 0.0000000), wk = 0.0031646 k( 91) = ( 0.4482759 0.4482759 0.0000000), wk = 0.0031646 k( 92) = ( 0.4396552 0.4396552 0.0000000), wk = 0.0031646 k( 93) = ( 0.4310345 0.4310345 0.0000000), wk = 0.0031646 k( 94) = ( 0.4224138 0.4224138 0.0000000), wk = 0.0031646 k( 95) = ( 0.4137931 0.4137931 0.0000000), wk = 0.0031646 k( 96) = ( 0.4051724 0.4051724 0.0000000), wk = 0.0031646 k( 97) = ( 0.3965517 0.3965517 0.0000000), wk = 0.0031646 k( 98) = ( 0.3879310 0.3879310 0.0000000), wk = 0.0031646 k( 99) = ( 0.3793103 0.3793103 0.0000000), wk = 0.0031646 k( 100) = ( 0.3706897 0.3706897 0.0000000), wk = 0.0031646 k( 101) = ( 0.3620690 0.3620690 0.0000000), wk = 0.0031646 k( 102) = ( 0.3534483 0.3534483 0.0000000), wk = 0.0031646 k( 103) = ( 0.3448276 0.3448276 0.0000000), wk = 0.0031646 k( 104) = ( 0.3362069 0.3362069 0.0000000), wk = 0.0031646 k( 105) = ( 0.3275862 0.3275862 0.0000000), wk = 0.0031646 k( 106) = ( 0.3189655 0.3189655 0.0000000), wk = 0.0031646 k( 107) = ( 0.3103448 0.3103448 0.0000000), wk = 0.0031646 k( 108) = ( 0.3017241 0.3017241 0.0000000), wk = 0.0031646 k( 109) = ( 0.2931034 0.2931034 0.0000000), wk = 0.0031646 k( 110) = ( 0.2844828 0.2844828 0.0000000), wk = 0.0031646 k( 111) = ( 0.2758621 0.2758621 0.0000000), wk = 0.0031646 k( 112) = ( 0.2672414 0.2672414 0.0000000), wk = 0.0031646 k( 113) = ( 0.2586207 0.2586207 0.0000000), wk = 0.0031646 k( 114) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0031646 k( 115) = ( 0.2413793 0.2413793 0.0000000), wk = 0.0031646 k( 116) = ( 0.2327586 0.2327586 0.0000000), wk = 0.0031646 k( 117) = ( 0.2241379 0.2241379 0.0000000), wk = 0.0031646 k( 118) = ( 0.2155172 0.2155172 0.0000000), wk = 0.0031646 k( 119) = ( 0.2068966 0.2068966 0.0000000), wk = 0.0031646 k( 120) = ( 0.1982759 0.1982759 0.0000000), wk = 0.0031646 k( 121) = ( 0.1896552 0.1896552 0.0000000), wk = 0.0031646 k( 122) = ( 0.1810345 0.1810345 0.0000000), wk = 0.0031646 k( 123) = ( 0.1724138 0.1724138 0.0000000), wk = 0.0031646 k( 124) = ( 0.1637931 0.1637931 0.0000000), wk = 0.0031646 k( 125) = ( 0.1551724 0.1551724 0.0000000), wk = 0.0031646 k( 126) = ( 0.1465517 0.1465517 0.0000000), wk = 0.0031646 k( 127) = ( 0.1379310 0.1379310 0.0000000), wk = 0.0031646 k( 128) = ( 0.1293103 0.1293103 0.0000000), wk = 0.0031646 k( 129) = ( 0.1206897 0.1206897 0.0000000), wk = 0.0031646 k( 130) = ( 0.1120690 0.1120690 0.0000000), wk = 0.0031646 k( 131) = ( 0.1034483 0.1034483 0.0000000), wk = 0.0031646 k( 132) = ( 0.0948276 0.0948276 0.0000000), wk = 0.0031646 k( 133) = ( 0.0862069 0.0862069 0.0000000), wk = 0.0031646 k( 134) = ( 0.0775862 0.0775862 0.0000000), wk = 0.0031646 k( 135) = ( 0.0689655 0.0689655 0.0000000), wk = 0.0031646 k( 136) = ( 0.0603448 0.0603448 0.0000000), wk = 0.0031646 k( 137) = ( 0.0517241 0.0517241 0.0000000), wk = 0.0031646 k( 138) = ( 0.0431035 0.0431035 0.0000000), wk = 0.0031646 k( 139) = ( 0.0344828 0.0344828 0.0000000), wk = 0.0031646 k( 140) = ( 0.0258621 0.0258621 0.0000000), wk = 0.0031646 k( 141) = ( 0.0172414 0.0172414 0.0000000), wk = 0.0031646 k( 142) = ( 0.0086207 0.0086207 0.0000000), wk = 0.0031646 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 145) = ( 0.0070422 0.0070422 0.0070422), wk = 0.0031646 k( 146) = ( 0.0140845 0.0140845 0.0140845), wk = 0.0031646 k( 147) = ( 0.0211268 0.0211268 0.0211268), wk = 0.0031646 k( 148) = ( 0.0281690 0.0281690 0.0281690), wk = 0.0031646 k( 149) = ( 0.0352113 0.0352113 0.0352113), wk = 0.0031646 k( 150) = ( 0.0422535 0.0422535 0.0422535), wk = 0.0031646 k( 151) = ( 0.0492958 0.0492958 0.0492958), wk = 0.0031646 k( 152) = ( 0.0563380 0.0563380 0.0563380), wk = 0.0031646 k( 153) = ( 0.0633803 0.0633803 0.0633803), wk = 0.0031646 k( 154) = ( 0.0704225 0.0704225 0.0704225), wk = 0.0031646 k( 155) = ( 0.0774648 0.0774648 0.0774648), wk = 0.0031646 k( 156) = ( 0.0845070 0.0845070 0.0845070), wk = 0.0031646 k( 157) = ( 0.0915493 0.0915493 0.0915493), wk = 0.0031646 k( 158) = ( 0.0985916 0.0985916 0.0985916), wk = 0.0031646 k( 159) = ( 0.1056338 0.1056338 0.1056338), wk = 0.0031646 k( 160) = ( 0.1126761 0.1126761 0.1126761), wk = 0.0031646 k( 161) = ( 0.1197183 0.1197183 0.1197183), wk = 0.0031646 k( 162) = ( 0.1267606 0.1267606 0.1267606), wk = 0.0031646 k( 163) = ( 0.1338028 0.1338028 0.1338028), wk = 0.0031646 k( 164) = ( 0.1408451 0.1408451 0.1408451), wk = 0.0031646 k( 165) = ( 0.1478873 0.1478873 0.1478873), wk = 0.0031646 k( 166) = ( 0.1549296 0.1549296 0.1549296), wk = 0.0031646 k( 167) = ( 0.1619718 0.1619718 0.1619718), wk = 0.0031646 k( 168) = ( 0.1690141 0.1690141 0.1690141), wk = 0.0031646 k( 169) = ( 0.1760563 0.1760563 0.1760563), wk = 0.0031646 k( 170) = ( 0.1830986 0.1830986 0.1830986), wk = 0.0031646 k( 171) = ( 0.1901409 0.1901409 0.1901409), wk = 0.0031646 k( 172) = ( 0.1971831 0.1971831 0.1971831), wk = 0.0031646 k( 173) = ( 0.2042253 0.2042253 0.2042253), wk = 0.0031646 k( 174) = ( 0.2112676 0.2112676 0.2112676), wk = 0.0031646 k( 175) = ( 0.2183099 0.2183099 0.2183099), wk = 0.0031646 k( 176) = ( 0.2253521 0.2253521 0.2253521), wk = 0.0031646 k( 177) = ( 0.2323944 0.2323944 0.2323944), wk = 0.0031646 k( 178) = ( 0.2394366 0.2394366 0.2394366), wk = 0.0031646 k( 179) = ( 0.2464789 0.2464789 0.2464789), wk = 0.0031646 k( 180) = ( 0.2535211 0.2535211 0.2535211), wk = 0.0031646 k( 181) = ( 0.2605634 0.2605634 0.2605634), wk = 0.0031646 k( 182) = ( 0.2676056 0.2676056 0.2676056), wk = 0.0031646 k( 183) = ( 0.2746479 0.2746479 0.2746479), wk = 0.0031646 k( 184) = ( 0.2816901 0.2816901 0.2816901), wk = 0.0031646 k( 185) = ( 0.2887324 0.2887324 0.2887324), wk = 0.0031646 k( 186) = ( 0.2957746 0.2957746 0.2957746), wk = 0.0031646 k( 187) = ( 0.3028169 0.3028169 0.3028169), wk = 0.0031646 k( 188) = ( 0.3098592 0.3098592 0.3098592), wk = 0.0031646 k( 189) = ( 0.3169014 0.3169014 0.3169014), wk = 0.0031646 k( 190) = ( 0.3239437 0.3239437 0.3239437), wk = 0.0031646 k( 191) = ( 0.3309859 0.3309859 0.3309859), wk = 0.0031646 k( 192) = ( 0.3380282 0.3380282 0.3380282), wk = 0.0031646 k( 193) = ( 0.3450704 0.3450704 0.3450704), wk = 0.0031646 k( 194) = ( 0.3521127 0.3521127 0.3521127), wk = 0.0031646 k( 195) = ( 0.3591549 0.3591549 0.3591549), wk = 0.0031646 k( 196) = ( 0.3661972 0.3661972 0.3661972), wk = 0.0031646 k( 197) = ( 0.3732394 0.3732394 0.3732394), wk = 0.0031646 k( 198) = ( 0.3802817 0.3802817 0.3802817), wk = 0.0031646 k( 199) = ( 0.3873239 0.3873239 0.3873239), wk = 0.0031646 k( 200) = ( 0.3943662 0.3943662 0.3943662), wk = 0.0031646 k( 201) = ( 0.4014085 0.4014085 0.4014085), wk = 0.0031646 k( 202) = ( 0.4084507 0.4084507 0.4084507), wk = 0.0031646 k( 203) = ( 0.4154930 0.4154930 0.4154930), wk = 0.0031646 k( 204) = ( 0.4225352 0.4225352 0.4225352), wk = 0.0031646 k( 205) = ( 0.4295775 0.4295775 0.4295775), wk = 0.0031646 k( 206) = ( 0.4366197 0.4366197 0.4366197), wk = 0.0031646 k( 207) = ( 0.4436620 0.4436620 0.4436620), wk = 0.0031646 k( 208) = ( 0.4507042 0.4507042 0.4507042), wk = 0.0031646 k( 209) = ( 0.4577465 0.4577465 0.4577465), wk = 0.0031646 k( 210) = ( 0.4647887 0.4647887 0.4647887), wk = 0.0031646 k( 211) = ( 0.4718310 0.4718310 0.4718310), wk = 0.0031646 k( 212) = ( 0.4788732 0.4788732 0.4788732), wk = 0.0031646 k( 213) = ( 0.4859155 0.4859155 0.4859155), wk = 0.0031646 k( 214) = ( 0.4929577 0.4929577 0.4929577), wk = 0.0031646 k( 215) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031646 k( 216) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031646 k( 217) = ( 0.4913793 0.5000000 0.4913793), wk = 0.0031646 k( 218) = ( 0.4827586 0.5000000 0.4827586), wk = 0.0031646 k( 219) = ( 0.4741379 0.5000000 0.4741379), wk = 0.0031646 k( 220) = ( 0.4655172 0.5000000 0.4655172), wk = 0.0031646 k( 221) = ( 0.4568966 0.5000000 0.4568966), wk = 0.0031646 k( 222) = ( 0.4482759 0.5000000 0.4482759), wk = 0.0031646 k( 223) = ( 0.4396552 0.5000000 0.4396552), wk = 0.0031646 k( 224) = ( 0.4310345 0.5000000 0.4310345), wk = 0.0031646 k( 225) = ( 0.4224138 0.5000000 0.4224138), wk = 0.0031646 k( 226) = ( 0.4137931 0.5000000 0.4137931), wk = 0.0031646 k( 227) = ( 0.4051724 0.5000000 0.4051724), wk = 0.0031646 k( 228) = ( 0.3965517 0.5000000 0.3965517), wk = 0.0031646 k( 229) = ( 0.3879310 0.5000000 0.3879310), wk = 0.0031646 k( 230) = ( 0.3793103 0.5000000 0.3793103), wk = 0.0031646 k( 231) = ( 0.3706897 0.5000000 0.3706897), wk = 0.0031646 k( 232) = ( 0.3620690 0.5000000 0.3620690), wk = 0.0031646 k( 233) = ( 0.3534483 0.5000000 0.3534483), wk = 0.0031646 k( 234) = ( 0.3448276 0.5000000 0.3448276), wk = 0.0031646 k( 235) = ( 0.3362069 0.5000000 0.3362069), wk = 0.0031646 k( 236) = ( 0.3275862 0.5000000 0.3275862), wk = 0.0031646 k( 237) = ( 0.3189655 0.5000000 0.3189655), wk = 0.0031646 k( 238) = ( 0.3103448 0.5000000 0.3103448), wk = 0.0031646 k( 239) = ( 0.3017241 0.5000000 0.3017241), wk = 0.0031646 k( 240) = ( 0.2931034 0.5000000 0.2931034), wk = 0.0031646 k( 241) = ( 0.2844828 0.5000000 0.2844828), wk = 0.0031646 k( 242) = ( 0.2758621 0.5000000 0.2758621), wk = 0.0031646 k( 243) = ( 0.2672414 0.5000000 0.2672414), wk = 0.0031646 k( 244) = ( 0.2586207 0.5000000 0.2586207), wk = 0.0031646 k( 245) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0031646 k( 246) = ( 0.2413793 0.5000000 0.2413793), wk = 0.0031646 k( 247) = ( 0.2327586 0.5000000 0.2327586), wk = 0.0031646 k( 248) = ( 0.2241379 0.5000000 0.2241379), wk = 0.0031646 k( 249) = ( 0.2155172 0.5000000 0.2155172), wk = 0.0031646 k( 250) = ( 0.2068966 0.5000000 0.2068966), wk = 0.0031646 k( 251) = ( 0.1982759 0.5000000 0.1982759), wk = 0.0031646 k( 252) = ( 0.1896552 0.5000000 0.1896552), wk = 0.0031646 k( 253) = ( 0.1810345 0.5000000 0.1810345), wk = 0.0031646 k( 254) = ( 0.1724138 0.5000000 0.1724138), wk = 0.0031646 k( 255) = ( 0.1637931 0.5000000 0.1637931), wk = 0.0031646 k( 256) = ( 0.1551724 0.5000000 0.1551724), wk = 0.0031646 k( 257) = ( 0.1465517 0.5000000 0.1465517), wk = 0.0031646 k( 258) = ( 0.1379310 0.5000000 0.1379310), wk = 0.0031646 k( 259) = ( 0.1293103 0.5000000 0.1293103), wk = 0.0031646 k( 260) = ( 0.1206897 0.5000000 0.1206897), wk = 0.0031646 k( 261) = ( 0.1120690 0.5000000 0.1120690), wk = 0.0031646 k( 262) = ( 0.1034483 0.5000000 0.1034483), wk = 0.0031646 k( 263) = ( 0.0948276 0.5000000 0.0948276), wk = 0.0031646 k( 264) = ( 0.0862069 0.5000000 0.0862069), wk = 0.0031646 k( 265) = ( 0.0775862 0.5000000 0.0775862), wk = 0.0031646 k( 266) = ( 0.0689655 0.5000000 0.0689655), wk = 0.0031646 k( 267) = ( 0.0603448 0.5000000 0.0603448), wk = 0.0031646 k( 268) = ( 0.0517241 0.5000000 0.0517241), wk = 0.0031646 k( 269) = ( 0.0431035 0.5000000 0.0431035), wk = 0.0031646 k( 270) = ( 0.0344828 0.5000000 0.0344828), wk = 0.0031646 k( 271) = ( 0.0258621 0.5000000 0.0258621), wk = 0.0031646 k( 272) = ( 0.0172414 0.5000000 0.0172414), wk = 0.0031646 k( 273) = ( 0.0086207 0.5000000 0.0086207), wk = 0.0031646 k( 274) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0031646 k( 275) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0031646 k( 276) = ( 0.5000000 0.5000000 0.0121951), wk = 0.0031646 k( 277) = ( 0.5000000 0.5000000 0.0243902), wk = 0.0031646 k( 278) = ( 0.5000000 0.5000000 0.0365854), wk = 0.0031646 k( 279) = ( 0.5000000 0.5000000 0.0487805), wk = 0.0031646 k( 280) = ( 0.5000000 0.5000000 0.0609756), wk = 0.0031646 k( 281) = ( 0.5000000 0.5000000 0.0731707), wk = 0.0031646 k( 282) = ( 0.5000000 0.5000000 0.0853658), wk = 0.0031646 k( 283) = ( 0.5000000 0.5000000 0.0975610), wk = 0.0031646 k( 284) = ( 0.5000000 0.5000000 0.1097561), wk = 0.0031646 k( 285) = ( 0.5000000 0.5000000 0.1219512), wk = 0.0031646 k( 286) = ( 0.5000000 0.5000000 0.1341463), wk = 0.0031646 k( 287) = ( 0.5000000 0.5000000 0.1463415), wk = 0.0031646 k( 288) = ( 0.5000000 0.5000000 0.1585366), wk = 0.0031646 k( 289) = ( 0.5000000 0.5000000 0.1707317), wk = 0.0031646 k( 290) = ( 0.5000000 0.5000000 0.1829268), wk = 0.0031646 k( 291) = ( 0.5000000 0.5000000 0.1951219), wk = 0.0031646 k( 292) = ( 0.5000000 0.5000000 0.2073171), wk = 0.0031646 k( 293) = ( 0.5000000 0.5000000 0.2195122), wk = 0.0031646 k( 294) = ( 0.5000000 0.5000000 0.2317073), wk = 0.0031646 k( 295) = ( 0.5000000 0.5000000 0.2439024), wk = 0.0031646 k( 296) = ( 0.5000000 0.5000000 0.2560976), wk = 0.0031646 k( 297) = ( 0.5000000 0.5000000 0.2682927), wk = 0.0031646 k( 298) = ( 0.5000000 0.5000000 0.2804878), wk = 0.0031646 k( 299) = ( 0.5000000 0.5000000 0.2926829), wk = 0.0031646 k( 300) = ( 0.5000000 0.5000000 0.3048781), wk = 0.0031646 k( 301) = ( 0.5000000 0.5000000 0.3170732), wk = 0.0031646 k( 302) = ( 0.5000000 0.5000000 0.3292683), wk = 0.0031646 k( 303) = ( 0.5000000 0.5000000 0.3414634), wk = 0.0031646 k( 304) = ( 0.5000000 0.5000000 0.3536585), wk = 0.0031646 k( 305) = ( 0.5000000 0.5000000 0.3658537), wk = 0.0031646 k( 306) = ( 0.5000000 0.5000000 0.3780488), wk = 0.0031646 k( 307) = ( 0.5000000 0.5000000 0.3902439), wk = 0.0031646 k( 308) = ( 0.5000000 0.5000000 0.4024390), wk = 0.0031646 k( 309) = ( 0.5000000 0.5000000 0.4146341), wk = 0.0031646 k( 310) = ( 0.5000000 0.5000000 0.4268293), wk = 0.0031646 k( 311) = ( 0.5000000 0.5000000 0.4390244), wk = 0.0031646 k( 312) = ( 0.5000000 0.5000000 0.4512195), wk = 0.0031646 k( 313) = ( 0.5000000 0.5000000 0.4634146), wk = 0.0031646 k( 314) = ( 0.5000000 0.5000000 0.4756098), wk = 0.0031646 k( 315) = ( 0.5000000 0.5000000 0.4878049), wk = 0.0031646 k( 316) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031646 Dense grid: 24837 G-vectors FFT dimensions: ( 40, 40, 40) Smooth grid: 15791 G-vectors FFT dimensions: ( 32, 32, 32) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.05 Mb ( 114, 26) NL pseudopotentials 0.06 Mb ( 57, 68) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.01 Mb ( 691) G-vector shells 0.00 Mb ( 190) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.18 Mb ( 114, 104) Each subspace H/S matrix 0.01 Mb ( 26, 26) Each matrix 0.05 Mb ( 68, 2, 26) The potential is recalculated from file : ./TlSb.save/charge-density.dat Starting wfc are 26 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.0 secs Computing kpt #: 2 total cpu time spent up to now is 2.1 secs Computing kpt #: 3 total cpu time spent up to now is 2.2 secs Computing kpt #: 4 total cpu time spent up to now is 2.3 secs Computing kpt #: 5 total cpu time spent up to now is 2.4 secs Computing kpt #: 6 total cpu time spent up to now is 2.5 secs Computing kpt #: 7 total cpu time spent up to now is 2.6 secs Computing kpt #: 8 total cpu time spent up to now is 2.7 secs Computing kpt #: 9 total cpu time spent up to now is 2.8 secs Computing kpt #: 10 total cpu time spent up to now is 2.9 secs Computing kpt #: 11 total cpu time spent up to now is 3.0 secs Computing kpt #: 12 total cpu time spent up to now is 3.1 secs Computing kpt #: 13 total cpu time spent up to now is 3.2 secs Computing kpt #: 14 total cpu time spent up to now is 3.3 secs Computing kpt #: 15 total cpu time spent up to now is 3.5 secs Computing kpt #: 16 total cpu time spent up to now is 3.6 secs Computing kpt #: 17 total cpu time spent up to now is 3.7 secs Computing kpt #: 18 total cpu time spent up to now is 3.8 secs Computing kpt #: 19 total cpu time spent up to now is 3.9 secs Computing kpt #: 20 total cpu time spent up to now is 4.0 secs Computing kpt #: 21 total cpu time spent up to now is 4.1 secs Computing kpt #: 22 total cpu time spent up to now is 4.2 secs Computing kpt #: 23 total cpu time spent up to now is 4.4 secs Computing kpt #: 24 total cpu time spent up to now is 4.5 secs Computing kpt #: 25 total cpu time spent up to now is 4.6 secs Computing kpt #: 26 total cpu time spent up to now is 4.7 secs Computing kpt #: 27 total cpu time spent up to now is 4.8 secs Computing kpt #: 28 total cpu time spent up to now is 4.9 secs Computing kpt #: 29 total cpu time spent up to now is 5.1 secs Computing kpt #: 30 total cpu time spent up to now is 5.2 secs Computing kpt #: 31 total cpu time spent up to now is 5.3 secs Computing kpt #: 32 total cpu time spent up to now is 5.4 secs Computing kpt #: 33 total cpu time spent up to now is 5.5 secs Computing kpt #: 34 total cpu time spent up to now is 5.6 secs Computing kpt #: 35 total cpu time spent up to now is 5.7 secs Computing kpt #: 36 total cpu time spent up to now is 5.8 secs Computing kpt #: 37 total cpu time spent up to now is 5.9 secs Computing kpt #: 38 total cpu time spent up to now is 6.0 secs Computing kpt #: 39 total cpu time spent up to now is 6.1 secs Computing kpt #: 40 total cpu time spent up to now is 6.2 secs Computing kpt #: 41 total cpu time spent up to now is 6.2 secs Computing kpt #: 42 total cpu time spent up to now is 6.3 secs Computing kpt #: 43 total cpu time spent up to now is 6.4 secs Computing kpt #: 44 total cpu time spent up to now is 6.5 secs Computing kpt #: 45 total cpu time spent up to now is 6.6 secs Computing kpt #: 46 total cpu time spent up to now is 6.7 secs Computing kpt #: 47 total cpu time spent up to now is 6.8 secs Computing kpt #: 48 total cpu time spent up to now is 6.8 secs Computing kpt #: 49 total cpu time spent up to now is 6.9 secs Computing kpt #: 50 total cpu time spent up to now is 7.0 secs Computing kpt #: 51 total cpu time spent up to now is 7.1 secs Computing kpt #: 52 total cpu time spent up to now is 7.2 secs Computing kpt #: 53 total cpu time spent up to now is 7.3 secs Computing kpt #: 54 total cpu time spent up to now is 7.4 secs Computing kpt #: 55 total cpu time spent up to now is 7.5 secs Computing kpt #: 56 total cpu time spent up to now is 7.6 secs Computing kpt #: 57 total cpu time spent up to now is 7.7 secs Computing kpt #: 58 total cpu time spent up to now is 7.7 secs Computing kpt #: 59 total cpu time spent up to now is 7.8 secs Computing kpt #: 60 total cpu time spent up to now is 7.9 secs Computing kpt #: 61 total cpu time spent up to now is 8.0 secs Computing kpt #: 62 total cpu time spent up to now is 8.1 secs Computing kpt #: 63 total cpu time spent up to now is 8.2 secs Computing kpt #: 64 total cpu time spent up to now is 8.3 secs Computing kpt #: 65 total cpu time spent up to now is 8.3 secs Computing kpt #: 66 total cpu time spent up to now is 8.4 secs Computing kpt #: 67 total cpu time spent up to now is 8.5 secs Computing kpt #: 68 total cpu time spent up to now is 8.6 secs Computing kpt #: 69 total cpu time spent up to now is 8.7 secs Computing kpt #: 70 total cpu time spent up to now is 8.8 secs Computing kpt #: 71 total cpu time spent up to now is 8.8 secs Computing kpt #: 72 total cpu time spent up to now is 8.9 secs Computing kpt #: 73 total cpu time spent up to now is 9.0 secs Computing kpt #: 74 total cpu time spent up to now is 9.1 secs Computing kpt #: 75 total cpu time spent up to now is 9.2 secs Computing kpt #: 76 total cpu time spent up to now is 9.3 secs Computing kpt #: 77 total cpu time spent up to now is 9.4 secs Computing kpt #: 78 total cpu time spent up to now is 9.5 secs Computing kpt #: 79 total cpu time spent up to now is 9.6 secs Computing kpt #: 80 total cpu time spent up to now is 9.7 secs Computing kpt #: 81 total cpu time spent up to now is 9.8 secs Computing kpt #: 82 total cpu time spent up to now is 9.8 secs Computing kpt #: 83 total cpu time spent up to now is 9.9 secs Computing kpt #: 84 total cpu time spent up to now is 10.0 secs Computing kpt #: 85 total cpu time spent up to now is 10.1 secs Computing kpt #: 86 total cpu time spent up to now is 10.2 secs Computing kpt #: 87 total cpu time spent up to now is 10.3 secs Computing kpt #: 88 total cpu time spent up to now is 10.4 secs Computing kpt #: 89 total cpu time spent up to now is 10.5 secs Computing kpt #: 90 total cpu time spent up to now is 10.6 secs Computing kpt #: 91 total cpu time spent up to now is 10.7 secs Computing kpt #: 92 total cpu time spent up to now is 10.8 secs Computing kpt #: 93 total cpu time spent up to now is 10.9 secs Computing kpt #: 94 total cpu time spent up to now is 10.9 secs Computing kpt #: 95 total cpu time spent up to now is 11.0 secs Computing kpt #: 96 total cpu time spent up to now is 11.1 secs Computing kpt #: 97 total cpu time spent up to now is 11.2 secs Computing kpt #: 98 total cpu time spent up to now is 11.3 secs Computing kpt #: 99 total cpu time spent up to now is 11.4 secs Computing kpt #: 100 total cpu time spent up to now is 11.5 secs Computing kpt #: 101 total cpu time spent up to now is 11.6 secs Computing kpt #: 102 total cpu time spent up to now is 11.6 secs Computing kpt #: 103 total cpu time spent up to now is 11.7 secs Computing kpt #: 104 total cpu time spent up to now is 11.8 secs Computing kpt #: 105 total cpu time spent up to now is 11.9 secs Computing kpt #: 106 total cpu time spent up to now is 12.0 secs Computing kpt #: 107 total cpu time spent up to now is 12.1 secs Computing kpt #: 108 total cpu time spent up to now is 12.2 secs Computing kpt #: 109 total cpu time spent up to now is 12.2 secs Computing kpt #: 110 total cpu time spent up to now is 12.3 secs Computing kpt #: 111 total cpu time spent up to now is 12.4 secs Computing kpt #: 112 total cpu time spent up to now is 12.5 secs Computing kpt #: 113 total cpu time spent up to now is 12.6 secs Computing kpt #: 114 total cpu time spent up to now is 12.7 secs Computing kpt #: 115 total cpu time spent up to now is 12.8 secs Computing kpt #: 116 total cpu time spent up to now is 12.9 secs Computing kpt #: 117 total cpu time spent up to now is 13.0 secs Computing kpt #: 118 total cpu time spent up to now is 13.2 secs Computing kpt #: 119 total cpu time spent up to now is 13.3 secs Computing kpt #: 120 total cpu time spent up to now is 13.4 secs Computing kpt #: 121 total cpu time spent up to now is 13.5 secs Computing kpt #: 122 total cpu time spent up to now is 13.6 secs Computing kpt #: 123 total cpu time spent up to now is 13.7 secs Computing kpt #: 124 total cpu time spent up to now is 13.8 secs Computing kpt #: 125 total cpu time spent up to now is 14.0 secs Computing kpt #: 126 total cpu time spent up to now is 14.1 secs Computing kpt #: 127 total cpu time spent up to now is 14.2 secs Computing kpt #: 128 total cpu time spent up to now is 14.3 secs Computing kpt #: 129 total cpu time spent up to now is 14.4 secs Computing kpt #: 130 total cpu time spent up to now is 14.5 secs Computing kpt #: 131 total cpu time spent up to now is 14.6 secs Computing kpt #: 132 total cpu time spent up to now is 14.7 secs Computing kpt #: 133 total cpu time spent up to now is 14.8 secs Computing kpt #: 134 total cpu time spent up to now is 14.9 secs Computing kpt #: 135 total cpu time spent up to now is 15.0 secs Computing kpt #: 136 total cpu time spent up to now is 15.1 secs Computing kpt #: 137 total cpu time spent up to now is 15.2 secs Computing kpt #: 138 total cpu time spent up to now is 15.3 secs Computing kpt #: 139 total cpu time spent up to now is 15.4 secs Computing kpt #: 140 total cpu time spent up to now is 15.5 secs Computing kpt #: 141 total cpu time spent up to now is 15.6 secs Computing kpt #: 142 total cpu time spent up to now is 15.6 secs Computing kpt #: 143 total cpu time spent up to now is 15.7 secs Computing kpt #: 144 total cpu time spent up to now is 15.8 secs Computing kpt #: 145 total cpu time spent up to now is 15.9 secs Computing kpt #: 146 total cpu time spent up to now is 16.0 secs Computing kpt #: 147 total cpu time spent up to now is 16.1 secs Computing kpt #: 148 total cpu time spent up to now is 16.2 secs Computing kpt #: 149 total cpu time spent up to now is 16.3 secs Computing kpt #: 150 total cpu time spent up to now is 16.4 secs Computing kpt #: 151 total cpu time spent up to now is 16.5 secs Computing kpt #: 152 total cpu time spent up to now is 16.6 secs Computing kpt #: 153 total cpu time spent up to now is 16.7 secs Computing kpt #: 154 total cpu time spent up to now is 16.8 secs Computing kpt #: 155 total cpu time spent up to now is 16.9 secs Computing kpt #: 156 total cpu time spent up to now is 17.0 secs Computing kpt #: 157 total cpu time spent up to now is 17.1 secs Computing kpt #: 158 total cpu time spent up to now is 17.2 secs Computing kpt #: 159 total cpu time spent up to now is 17.3 secs Computing kpt #: 160 total cpu time spent up to now is 17.4 secs Computing kpt #: 161 total cpu time spent up to now is 17.5 secs Computing kpt #: 162 total cpu time spent up to now is 17.6 secs Computing kpt #: 163 total cpu time spent up to now is 17.7 secs Computing kpt #: 164 total cpu time spent up to now is 17.9 secs Computing kpt #: 165 total cpu time spent up to now is 18.0 secs Computing kpt #: 166 total cpu time spent up to now is 18.1 secs Computing kpt #: 167 total cpu time spent up to now is 18.2 secs Computing kpt #: 168 total cpu time spent up to now is 18.3 secs Computing kpt #: 169 total cpu time spent up to now is 18.4 secs Computing kpt #: 170 total cpu time spent up to now is 18.5 secs Computing kpt #: 171 total cpu time spent up to now is 18.6 secs Computing kpt #: 172 total cpu time spent up to now is 18.6 secs Computing kpt #: 173 total cpu time spent up to now is 18.7 secs Computing kpt #: 174 total cpu time spent up to now is 18.8 secs Computing kpt #: 175 total cpu time spent up to now is 18.9 secs Computing kpt #: 176 total cpu time spent up to now is 19.0 secs Computing kpt #: 177 total cpu time spent up to now is 19.1 secs Computing kpt #: 178 total cpu time spent up to now is 19.1 secs Computing kpt #: 179 total cpu time spent up to now is 19.2 secs Computing kpt #: 180 total cpu time spent up to now is 19.3 secs Computing kpt #: 181 total cpu time spent up to now is 19.4 secs Computing kpt #: 182 total cpu time spent up to now is 19.5 secs Computing kpt #: 183 total cpu time spent up to now is 19.5 secs Computing kpt #: 184 total cpu time spent up to now is 19.6 secs Computing kpt #: 185 total cpu time spent up to now is 19.7 secs Computing kpt #: 186 total cpu time spent up to now is 19.8 secs Computing kpt #: 187 total cpu time spent up to now is 19.9 secs Computing kpt #: 188 total cpu time spent up to now is 19.9 secs Computing kpt #: 189 total cpu time spent up to now is 20.0 secs Computing kpt #: 190 total cpu time spent up to now is 20.1 secs Computing kpt #: 191 total cpu time spent up to now is 20.2 secs Computing kpt #: 192 total cpu time spent up to now is 20.2 secs Computing kpt #: 193 total cpu time spent up to now is 20.3 secs Computing kpt #: 194 total cpu time spent up to now is 20.4 secs Computing kpt #: 195 total cpu time spent up to now is 20.5 secs Computing kpt #: 196 total cpu time spent up to now is 20.5 secs Computing kpt #: 197 total cpu time spent up to now is 20.6 secs Computing kpt #: 198 total cpu time spent up to now is 20.7 secs Computing kpt #: 199 total cpu time spent up to now is 20.8 secs Computing kpt #: 200 total cpu time spent up to now is 20.8 secs Computing kpt #: 201 total cpu time spent up to now is 20.9 secs Computing kpt #: 202 total cpu time spent up to now is 21.0 secs Computing kpt #: 203 total cpu time spent up to now is 21.0 secs Computing kpt #: 204 total cpu time spent up to now is 21.1 secs Computing kpt #: 205 total cpu time spent up to now is 21.2 secs Computing kpt #: 206 total cpu time spent up to now is 21.2 secs Computing kpt #: 207 total cpu time spent up to now is 21.3 secs Computing kpt #: 208 total cpu time spent up to now is 21.4 secs Computing kpt #: 209 total cpu time spent up to now is 21.5 secs Computing kpt #: 210 total cpu time spent up to now is 21.5 secs Computing kpt #: 211 total cpu time spent up to now is 21.6 secs Computing kpt #: 212 total cpu time spent up to now is 21.7 secs Computing kpt #: 213 total cpu time spent up to now is 21.7 secs Computing kpt #: 214 total cpu time spent up to now is 21.8 secs Computing kpt #: 215 total cpu time spent up to now is 21.9 secs Computing kpt #: 216 total cpu time spent up to now is 21.9 secs Computing kpt #: 217 total cpu time spent up to now is 22.0 secs Computing kpt #: 218 total cpu time spent up to now is 22.1 secs Computing kpt #: 219 total cpu time spent up to now is 22.1 secs Computing kpt #: 220 total cpu time spent up to now is 22.2 secs Computing kpt #: 221 total cpu time spent up to now is 22.3 secs Computing kpt #: 222 total cpu time spent up to now is 22.3 secs Computing kpt #: 223 total cpu time spent up to now is 22.4 secs Computing kpt #: 224 total cpu time spent up to now is 22.5 secs Computing kpt #: 225 total cpu time spent up to now is 22.6 secs Computing kpt #: 226 total cpu time spent up to now is 22.6 secs Computing kpt #: 227 total cpu time spent up to now is 22.7 secs Computing kpt #: 228 total cpu time spent up to now is 22.8 secs Computing kpt #: 229 total cpu time spent up to now is 22.8 secs Computing kpt #: 230 total cpu time spent up to now is 22.9 secs Computing kpt #: 231 total cpu time spent up to now is 23.0 secs Computing kpt #: 232 total cpu time spent up to now is 23.1 secs Computing kpt #: 233 total cpu time spent up to now is 23.1 secs Computing kpt #: 234 total cpu time spent up to now is 23.2 secs Computing kpt #: 235 total cpu time spent up to now is 23.3 secs Computing kpt #: 236 total cpu time spent up to now is 23.3 secs Computing kpt #: 237 total cpu time spent up to now is 23.4 secs Computing kpt #: 238 total cpu time spent up to now is 23.5 secs Computing kpt #: 239 total cpu time spent up to now is 23.6 secs Computing kpt #: 240 total cpu time spent up to now is 23.6 secs Computing kpt #: 241 total cpu time spent up to now is 23.7 secs Computing kpt #: 242 total cpu time spent up to now is 23.8 secs Computing kpt #: 243 total cpu time spent up to now is 23.9 secs Computing kpt #: 244 total cpu time spent up to now is 24.0 secs Computing kpt #: 245 total cpu time spent up to now is 24.0 secs Computing kpt #: 246 total cpu time spent up to now is 24.1 secs Computing kpt #: 247 total cpu time spent up to now is 24.2 secs Computing kpt #: 248 total cpu time spent up to now is 24.3 secs Computing kpt #: 249 total cpu time spent up to now is 24.4 secs Computing kpt #: 250 total cpu time spent up to now is 24.5 secs Computing kpt #: 251 total cpu time spent up to now is 24.6 secs Computing kpt #: 252 total cpu time spent up to now is 24.6 secs Computing kpt #: 253 total cpu time spent up to now is 24.7 secs Computing kpt #: 254 total cpu time spent up to now is 24.8 secs Computing kpt #: 255 total cpu time spent up to now is 24.9 secs Computing kpt #: 256 total cpu time spent up to now is 25.0 secs Computing kpt #: 257 total cpu time spent up to now is 25.1 secs Computing kpt #: 258 total cpu time spent up to now is 25.2 secs Computing kpt #: 259 total cpu time spent up to now is 25.3 secs Computing kpt #: 260 total cpu time spent up to now is 25.4 secs Computing kpt #: 261 total cpu time spent up to now is 25.5 secs Computing kpt #: 262 total cpu time spent up to now is 25.6 secs Computing kpt #: 263 total cpu time spent up to now is 25.7 secs Computing kpt #: 264 total cpu time spent up to now is 25.7 secs Computing kpt #: 265 total cpu time spent up to now is 25.8 secs Computing kpt #: 266 total cpu time spent up to now is 25.9 secs Computing kpt #: 267 total cpu time spent up to now is 26.0 secs Computing kpt #: 268 total cpu time spent up to now is 26.1 secs Computing kpt #: 269 total cpu time spent up to now is 26.2 secs Computing kpt #: 270 total cpu time spent up to now is 26.3 secs Computing kpt #: 271 total cpu time spent up to now is 26.4 secs Computing kpt #: 272 total cpu time spent up to now is 26.5 secs Computing kpt #: 273 total cpu time spent up to now is 26.5 secs Computing kpt #: 274 total cpu time spent up to now is 26.6 secs Computing kpt #: 275 total cpu time spent up to now is 26.7 secs Computing kpt #: 276 total cpu time spent up to now is 26.8 secs Computing kpt #: 277 total cpu time spent up to now is 26.9 secs Computing kpt #: 278 total cpu time spent up to now is 27.0 secs Computing kpt #: 279 total cpu time spent up to now is 27.1 secs Computing kpt #: 280 total cpu time spent up to now is 27.2 secs Computing kpt #: 281 total cpu time spent up to now is 27.4 secs Computing kpt #: 282 total cpu time spent up to now is 27.5 secs Computing kpt #: 283 total cpu time spent up to now is 27.6 secs Computing kpt #: 284 total cpu time spent up to now is 27.7 secs Computing kpt #: 285 total cpu time spent up to now is 27.8 secs Computing kpt #: 286 total cpu time spent up to now is 27.8 secs Computing kpt #: 287 total cpu time spent up to now is 27.9 secs Computing kpt #: 288 total cpu time spent up to now is 28.0 secs Computing kpt #: 289 total cpu time spent up to now is 28.1 secs Computing kpt #: 290 total cpu time spent up to now is 28.1 secs Computing kpt #: 291 total cpu time spent up to now is 28.2 secs Computing kpt #: 292 total cpu time spent up to now is 28.3 secs Computing kpt #: 293 total cpu time spent up to now is 28.4 secs Computing kpt #: 294 total cpu time spent up to now is 28.4 secs Computing kpt #: 295 total cpu time spent up to now is 28.5 secs Computing kpt #: 296 total cpu time spent up to now is 28.6 secs Computing kpt #: 297 total cpu time spent up to now is 28.6 secs Computing kpt #: 298 total cpu time spent up to now is 28.7 secs Computing kpt #: 299 total cpu time spent up to now is 28.8 secs Computing kpt #: 300 total cpu time spent up to now is 28.9 secs Computing kpt #: 301 total cpu time spent up to now is 28.9 secs Computing kpt #: 302 total cpu time spent up to now is 29.0 secs Computing kpt #: 303 total cpu time spent up to now is 29.1 secs Computing kpt #: 304 total cpu time spent up to now is 29.1 secs Computing kpt #: 305 total cpu time spent up to now is 29.2 secs Computing kpt #: 306 total cpu time spent up to now is 29.3 secs Computing kpt #: 307 total cpu time spent up to now is 29.3 secs Computing kpt #: 308 total cpu time spent up to now is 29.4 secs Computing kpt #: 309 total cpu time spent up to now is 29.5 secs Computing kpt #: 310 total cpu time spent up to now is 29.6 secs Computing kpt #: 311 total cpu time spent up to now is 29.6 secs Computing kpt #: 312 total cpu time spent up to now is 29.7 secs Computing kpt #: 313 total cpu time spent up to now is 29.8 secs Computing kpt #: 314 total cpu time spent up to now is 29.8 secs Computing kpt #: 315 total cpu time spent up to now is 29.9 secs Computing kpt #: 316 total cpu time spent up to now is 30.0 secs ethr = 5.56E-08, avg # of iterations = 12.4 total cpu time spent up to now is 30.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1935 PWs) bands (ev): -3.7611 -3.7611 -3.7611 -3.7611 -2.5874 -2.5874 -1.6390 -1.6390 -1.6390 -1.6390 -1.4903 -1.4903 5.3137 5.3137 7.5023 7.5023 8.4808 8.4808 8.4808 8.4808 13.4387 13.4387 13.4387 13.4387 15.2660 15.2660 k = 0.0000 0.0122-0.0000 ( 1935 PWs) bands (ev): -3.7611 -3.7611 -3.7610 -3.7610 -2.5860 -2.5860 -1.6390 -1.6390 -1.6389 -1.6389 -1.4905 -1.4905 5.3068 5.3068 7.5046 7.5046 8.4817 8.4817 8.4826 8.4826 13.4396 13.4396 13.4478 13.4478 15.2602 15.2602 k = 0.0000 0.0244-0.0000 ( 1935 PWs) bands (ev): -3.7611 -3.7611 -3.7609 -3.7609 -2.5817 -2.5817 -1.6390 -1.6390 -1.6387 -1.6387 -1.4908 -1.4908 5.2860 5.2860 7.5114 7.5114 8.4842 8.4842 8.4878 8.4878 13.4422 13.4422 13.4749 13.4749 15.2429 15.2429 k = 0.0000 0.0366-0.0000 ( 1951 PWs) bands (ev): -3.7612 -3.7612 -3.7608 -3.7608 -2.5745 -2.5745 -1.6391 -1.6391 -1.6383 -1.6383 -1.4914 -1.4914 5.2518 5.2518 7.5227 7.5227 8.4885 8.4885 8.4965 8.4965 13.4465 13.4465 13.5195 13.5195 15.2144 15.2144 k = 0.0000 0.0488-0.0000 ( 1959 PWs) bands (ev): -3.7613 -3.7613 -3.7605 -3.7605 -2.5645 -2.5645 -1.6391 -1.6391 -1.6377 -1.6377 -1.4922 -1.4922 5.2047 5.2047 7.5383 7.5383 8.4947 8.4947 8.5087 8.5087 13.4526 13.4526 13.5809 13.5809 15.1750 15.1750 k = 0.0000 0.0610-0.0000 ( 1967 PWs) bands (ev): -3.7614 -3.7614 -3.7602 -3.7602 -2.5516 -2.5516 -1.6392 -1.6392 -1.6370 -1.6370 -1.4933 -1.4933 5.1454 5.1454 7.5579 7.5579 8.5029 8.5029 8.5243 8.5243 13.4603 13.4603 13.6581 13.6581 15.1255 15.1255 k = 0.0000 0.0732-0.0000 ( 1967 PWs) bands (ev): -3.7615 -3.7615 -3.7597 -3.7597 -2.5359 -2.5359 -1.6392 -1.6392 -1.6360 -1.6360 -1.4945 -1.4945 5.0747 5.0747 7.5813 7.5813 8.5134 8.5134 8.5434 8.5434 13.4698 13.4698 13.7493 13.7493 15.0669 15.0669 k = 0.0000 0.0854-0.0000 ( 1967 PWs) bands (ev): -3.7616 -3.7616 -3.7592 -3.7592 -2.5173 -2.5173 -1.6393 -1.6393 -1.6349 -1.6349 -1.4959 -1.4959 4.9937 4.9937 7.6083 7.6083 8.5262 8.5262 8.5659 8.5659 13.4810 13.4810 13.8525 13.8525 15.0008 15.0008 k = 0.0000 0.0976-0.0000 ( 1975 PWs) bands (ev): -3.7617 -3.7617 -3.7587 -3.7587 -2.4960 -2.4960 -1.6394 -1.6394 -1.6337 -1.6337 -1.4975 -1.4975 4.9031 4.9031 7.6386 7.6386 8.5415 8.5415 8.5917 8.5917 13.4939 13.4939 13.9641 13.9641 14.9300 14.9300 k = 0.0000 0.1098-0.0000 ( 1975 PWs) bands (ev): -3.7619 -3.7619 -3.7581 -3.7581 -2.4718 -2.4718 -1.6395 -1.6395 -1.6322 -1.6322 -1.4993 -1.4993 4.8040 4.8040 7.6721 7.6721 8.5595 8.5595 8.6209 8.6209 13.5084 13.5084 14.0780 14.0780 14.8599 14.8599 k = 0.0000 0.1220-0.0000 ( 1975 PWs) bands (ev): -3.7621 -3.7621 -3.7575 -3.7575 -2.4449 -2.4449 -1.6396 -1.6396 -1.6306 -1.6306 -1.5012 -1.5012 4.6974 4.6974 7.7085 7.7085 8.5804 8.5804 8.6533 8.6533 13.5246 13.5246 14.1813 14.1813 14.8018 14.8018 k = 0.0000 0.1341-0.0000 ( 1975 PWs) bands (ev): -3.7622 -3.7622 -3.7569 -3.7569 -2.4152 -2.4152 -1.6398 -1.6398 -1.6288 -1.6288 -1.5033 -1.5033 4.5841 4.5841 7.7477 7.7477 8.6042 8.6042 8.6890 8.6890 13.5425 13.5425 14.2484 14.2484 14.7798 14.7798 k = 0.0000 0.1463-0.0000 ( 1983 PWs) bands (ev): -3.7624 -3.7624 -3.7562 -3.7562 -2.3829 -2.3829 -1.6400 -1.6400 -1.6269 -1.6269 -1.5055 -1.5055 4.4651 4.4651 7.7896 7.7896 8.6310 8.6310 8.7278 8.7278 13.5619 13.5619 14.2496 14.2496 14.8205 14.8205 k = 0.0000 0.1585-0.0000 ( 1983 PWs) bands (ev): -3.7627 -3.7627 -3.7555 -3.7555 -2.3479 -2.3479 -1.6403 -1.6403 -1.6247 -1.6247 -1.5077 -1.5077 4.3411 4.3411 7.8342 7.8342 8.6609 8.6609 8.7697 8.7697 13.5829 13.5829 14.1890 14.1890 14.9141 14.9141 k = 0.0000 0.1707-0.0000 ( 1975 PWs) bands (ev): -3.7629 -3.7629 -3.7548 -3.7548 -2.3103 -2.3103 -1.6405 -1.6405 -1.6223 -1.6223 -1.5101 -1.5101 4.2130 4.2130 7.8812 7.8812 8.6939 8.6939 8.8147 8.8147 13.6055 13.6055 14.0926 14.0926 15.0246 15.0246 k = 0.0000 0.1829-0.0000 ( 1975 PWs) bands (ev): -3.7631 -3.7631 -3.7540 -3.7540 -2.2701 -2.2701 -1.6409 -1.6409 -1.6198 -1.6198 -1.5125 -1.5125 4.0814 4.0814 7.9308 7.9308 8.7301 8.7301 8.8626 8.8626 13.6296 13.6296 13.9770 13.9770 15.1161 15.1161 k = 0.0000 0.1951-0.0000 ( 1971 PWs) bands (ev): -3.7633 -3.7633 -3.7533 -3.7533 -2.2275 -2.2275 -1.6412 -1.6412 -1.6170 -1.6170 -1.5150 -1.5150 3.9471 3.9471 7.9827 7.9827 8.7695 8.7695 8.9134 8.9134 13.6552 13.6552 13.8502 13.8502 15.1548 15.1548 k = 0.0000 0.2073-0.0000 ( 1971 PWs) bands (ev): -3.7636 -3.7636 -3.7526 -3.7526 -2.1825 -2.1825 -1.6417 -1.6417 -1.6139 -1.6139 -1.5174 -1.5174 3.8106 3.8106 8.0370 8.0370 8.8121 8.8121 8.9669 8.9669 13.6822 13.6822 13.7160 13.7160 15.1244 15.1244 k = 0.0000 0.2195-0.0000 ( 1972 PWs) bands (ev): -3.7638 -3.7638 -3.7519 -3.7519 -2.1353 -2.1353 -1.6421 -1.6421 -1.6106 -1.6106 -1.5199 -1.5199 3.6725 3.6725 8.0936 8.0936 8.8579 8.8579 9.0231 9.0231 13.5767 13.5767 13.7106 13.7106 15.0378 15.0378 k = 0.0000 0.2317-0.0000 ( 1972 PWs) bands (ev): -3.7641 -3.7641 -3.7512 -3.7512 -2.0859 -2.0859 -1.6427 -1.6427 -1.6069 -1.6069 -1.5223 -1.5223 3.5334 3.5334 8.1524 8.1524 8.9068 8.9068 9.0817 9.0817 13.4337 13.4337 13.7403 13.7403 14.9174 14.9174 k = 0.0000 0.2439-0.0000 ( 1980 PWs) bands (ev): -3.7644 -3.7644 -3.7505 -3.7505 -2.0347 -2.0347 -1.6433 -1.6433 -1.6027 -1.6027 -1.5247 -1.5247 3.3938 3.3938 8.2135 8.2135 8.9588 8.9588 9.1428 9.1428 13.2881 13.2881 13.7712 13.7712 14.7790 14.7790 k = 0.0000 0.2561-0.0000 ( 1976 PWs) bands (ev): -3.7646 -3.7646 -3.7499 -3.7499 -1.9819 -1.9819 -1.6440 -1.6440 -1.5979 -1.5979 -1.5271 -1.5271 3.2541 3.2541 8.2767 8.2767 9.0138 9.0138 9.2060 9.2060 13.1407 13.1407 13.8032 13.8032 14.6312 14.6312 k = 0.0000 0.2683-0.0000 ( 1964 PWs) bands (ev): -3.7649 -3.7649 -3.7492 -3.7492 -1.9279 -1.9279 -1.6446 -1.6446 -1.5921 -1.5921 -1.5293 -1.5293 3.1148 3.1148 8.3421 8.3421 9.0717 9.0717 9.2713 9.2713 12.9921 12.9921 13.8363 13.8363 14.4789 14.4789 k = 0.0000 0.2805-0.0000 ( 1968 PWs) bands (ev): -3.7651 -3.7651 -3.7487 -3.7487 -1.8734 -1.8734 -1.6454 -1.6454 -1.5849 -1.5849 -1.5315 -1.5315 2.9764 2.9764 8.4095 8.4095 9.1325 9.1325 9.3384 9.3384 12.8429 12.8429 13.8702 13.8702 14.3246 14.3246 k = 0.0000 0.2927-0.0000 ( 1968 PWs) bands (ev): -3.7654 -3.7654 -3.7481 -3.7481 -1.8195 -1.8195 -1.6462 -1.6462 -1.5754 -1.5754 -1.5336 -1.5336 2.8393 2.8393 8.4789 8.4789 9.1959 9.1959 9.4071 9.4071 12.6937 12.6937 13.9050 13.9050 14.1703 14.1703 k = 0.0000 0.3049-0.0000 ( 1968 PWs) bands (ev): -3.7657 -3.7657 -3.7476 -3.7476 -1.7680 -1.7680 -1.6470 -1.6470 -1.5620 -1.5620 -1.5355 -1.5355 2.7039 2.7039 8.5501 8.5501 9.2619 9.2619 9.4771 9.4771 12.5449 12.5449 13.9403 13.9403 14.0171 14.0171 k = 0.0000 0.3171-0.0000 ( 1968 PWs) bands (ev): -3.7659 -3.7659 -3.7471 -3.7471 -1.7219 -1.7219 -1.6479 -1.6479 -1.5417 -1.5417 -1.5374 -1.5374 2.5706 2.5706 8.6232 8.6232 9.3303 9.3303 9.5482 9.5482 12.3969 12.3969 13.8659 13.8659 13.9761 13.9761 k = 0.0000 0.3293-0.0000 ( 1972 PWs) bands (ev): -3.7662 -3.7662 -3.7467 -3.7467 -1.6850 -1.6850 -1.6488 -1.6488 -1.5391 -1.5391 -1.5113 -1.5113 2.4400 2.4400 8.6980 8.6980 9.4008 9.4008 9.6199 9.6199 12.2501 12.2501 13.7175 13.7175 14.0121 14.0121 k = 0.0000 0.3415-0.0000 ( 1972 PWs) bands (ev): -3.7664 -3.7664 -3.7462 -3.7462 -1.6589 -1.6589 -1.6497 -1.6497 -1.5407 -1.5407 -1.4693 -1.4693 2.3125 2.3125 8.7742 8.7742 9.4732 9.4732 9.6919 9.6919 12.1049 12.1049 13.5725 13.5725 14.0481 14.0481 k = 0.0000 0.3537-0.0000 ( 1972 PWs) bands (ev): -3.7666 -3.7666 -3.7459 -3.7459 -1.6507 -1.6507 -1.6417 -1.6417 -1.5421 -1.5421 -1.4182 -1.4182 2.1887 2.1887 8.8517 8.8517 9.5472 9.5472 9.7636 9.7636 11.9617 11.9617 13.4316 13.4316 14.0839 14.0839 k = 0.0000 0.3659-0.0000 ( 1972 PWs) bands (ev): -3.7668 -3.7668 -3.7455 -3.7455 -1.6516 -1.6516 -1.6302 -1.6302 -1.5435 -1.5435 -1.3615 -1.3615 2.0691 2.0691 8.9303 8.9303 9.6225 9.6225 9.8346 9.8346 11.8207 11.8207 13.2955 13.2955 14.0409 14.0409 k = 0.0000 0.3780-0.0000 ( 1980 PWs) bands (ev): -3.7670 -3.7670 -3.7452 -3.7452 -1.6525 -1.6525 -1.6222 -1.6222 -1.5447 -1.5447 -1.3021 -1.3021 1.9544 1.9544 9.0094 9.0094 9.6987 9.6987 9.9043 9.9043 11.6824 11.6824 13.1650 13.1650 13.9198 13.9198 k = 0.0000 0.3902-0.0000 ( 1980 PWs) bands (ev): -3.7672 -3.7672 -3.7449 -3.7449 -1.6533 -1.6533 -1.6163 -1.6163 -1.5458 -1.5458 -1.2420 -1.2420 1.8453 1.8453 9.0886 9.0886 9.7755 9.7755 9.9719 9.9719 11.5471 11.5471 13.0409 13.0409 13.8055 13.8055 k = 0.0000 0.4024-0.0000 ( 1988 PWs) bands (ev): -3.7674 -3.7674 -3.7447 -3.7447 -1.6541 -1.6541 -1.6117 -1.6117 -1.5467 -1.5467 -1.1827 -1.1827 1.7428 1.7428 9.1671 9.1671 9.8524 9.8524 10.0365 10.0365 11.4153 11.4153 12.9241 12.9241 13.6989 13.6989 k = 0.0000 0.4146-0.0000 ( 1984 PWs) bands (ev): -3.7675 -3.7675 -3.7445 -3.7445 -1.6549 -1.6549 -1.6082 -1.6082 -1.5475 -1.5475 -1.1255 -1.1255 1.6478 1.6478 9.2441 9.2441 9.9289 9.9289 10.0974 10.0974 11.2874 11.2874 12.8157 12.8157 13.6010 13.6010 k = 0.0000 0.4268-0.0000 ( 1984 PWs) bands (ev): -3.7677 -3.7677 -3.7443 -3.7443 -1.6555 -1.6555 -1.6053 -1.6053 -1.5482 -1.5482 -1.0718 -1.0718 1.5615 1.5615 9.3183 9.3183 10.0048 10.0048 10.1534 10.1534 11.1641 11.1641 12.7171 12.7171 13.5128 13.5128 k = 0.0000 0.4390-0.0000 ( 1976 PWs) bands (ev): -3.7678 -3.7678 -3.7442 -3.7442 -1.6561 -1.6561 -1.6030 -1.6030 -1.5488 -1.5488 -1.0229 -1.0229 1.4850 1.4850 9.3879 9.3879 10.0796 10.0796 10.2035 10.2035 11.0460 11.0460 12.6296 12.6296 13.4354 13.4354 k = 0.0000 0.4512-0.0000 ( 1976 PWs) bands (ev): -3.7679 -3.7679 -3.7440 -3.7440 -1.6566 -1.6566 -1.6012 -1.6012 -1.5493 -1.5493 -0.9802 -0.9802 1.4198 1.4198 9.4509 9.4509 10.1530 10.1530 10.2466 10.2466 10.9342 10.9342 12.5548 12.5548 13.3699 13.3699 k = 0.0000 0.4634-0.0000 ( 1976 PWs) bands (ev): -3.7680 -3.7680 -3.7439 -3.7439 -1.6570 -1.6570 -1.5998 -1.5998 -1.5497 -1.5497 -0.9451 -0.9451 1.3671 1.3671 9.5045 9.5045 10.2245 10.2245 10.2815 10.2815 10.8304 10.8304 12.4944 12.4944 13.3176 13.3176 k = 0.0000 0.4756-0.0000 ( 1984 PWs) bands (ev): -3.7680 -3.7680 -3.7439 -3.7439 -1.6573 -1.6573 -1.5989 -1.5989 -1.5499 -1.5499 -0.9189 -0.9189 1.3284 1.3284 9.5458 9.5458 10.2923 10.2923 10.3073 10.3073 10.7378 10.7378 12.4498 12.4498 13.2793 13.2793 k = 0.0000 0.4878-0.0000 ( 1984 PWs) bands (ev): -3.7681 -3.7681 -3.7439 -3.7439 -1.6575 -1.6575 -1.5984 -1.5984 -1.5501 -1.5501 -0.9026 -0.9026 1.3047 1.3047 9.5720 9.5720 10.3231 10.3231 10.3494 10.3494 10.6650 10.6650 12.4225 12.4225 13.2560 13.2561 k = 0.0000 0.5000-0.0000 ( 1984 PWs) bands (ev): -3.7681 -3.7681 -3.7439 -3.7438 -1.6575 -1.6575 -1.5982 -1.5982 -1.5502 -1.5502 -0.8971 -0.8971 1.2967 1.2967 9.5810 9.5810 10.3284 10.3284 10.3751 10.3751 10.6339 10.6339 12.4133 12.4133 13.2482 13.2482 k = 0.0000 0.5000-0.0000 ( 1984 PWs) bands (ev): -3.7681 -3.7681 -3.7439 -3.7438 -1.6575 -1.6575 -1.5982 -1.5982 -1.5502 -1.5502 -0.8971 -0.8971 1.2967 1.2967 9.5810 9.5810 10.3284 10.3284 10.3751 10.3751 10.6339 10.6339 12.4133 12.4133 13.2482 13.2482 k = 0.0122 0.5000-0.0000 ( 1984 PWs) bands (ev): -3.7680 -3.7680 -3.7439 -3.7439 -1.6578 -1.6578 -1.5984 -1.5984 -1.5506 -1.5506 -0.8946 -0.8946 1.2981 1.2981 9.5692 9.5692 10.2783 10.2783 10.3545 10.3545 10.6990 10.6990 12.4195 12.4195 13.2515 13.2515 k = 0.0244 0.5000-0.0000 ( 1984 PWs) bands (ev): -3.7680 -3.7680 -3.7441 -3.7441 -1.6587 -1.6587 -1.5991 -1.5991 -1.5517 -1.5517 -0.8871 -0.8871 1.3025 1.3025 9.5324 9.5324 10.1644 10.1644 10.3284 10.3284 10.8239 10.8239 12.4376 12.4376 13.2612 13.2612 k = 0.0366 0.5000-0.0000 ( 1976 PWs) bands (ev): -3.7679 -3.7679 -3.7444 -3.7444 -1.6602 -1.6602 -1.6001 -1.6001 -1.5533 -1.5533 -0.8747 -0.8747 1.3097 1.3097 9.4675 9.4675 10.0420 10.0420 10.2950 10.2950 10.9603 10.9603 12.4663 12.4663 13.2770 13.2770 k = 0.0488 0.5000-0.0000 ( 1978 PWs) bands (ev): -3.7678 -3.7678 -3.7448 -3.7448 -1.6626 -1.6626 -1.6017 -1.6017 -1.5552 -1.5552 -0.8577 -0.8577 1.3198 1.3198 9.3726 9.3726 9.9238 9.9238 10.2573 10.2573 11.0964 11.0964 12.5038 12.5038 13.2986 13.2986 k = 0.0610 0.5000-0.0000 ( 1990 PWs) bands (ev): -3.7678 -3.7678 -3.7453 -3.7453 -1.6658 -1.6658 -1.6037 -1.6037 -1.5570 -1.5570 -0.8364 -0.8364 1.3328 1.3328 9.2503 9.2503 9.8090 9.8090 10.2205 10.2205 11.2284 11.2284 12.5482 12.5482 13.3253 13.3253 k = 0.0732 0.5000-0.0000 ( 1982 PWs) bands (ev): -3.7676 -3.7676 -3.7460 -3.7460 -1.6699 -1.6699 -1.6060 -1.6060 -1.5583 -1.5583 -0.8110 -0.8110 1.3487 1.3487 9.1067 9.1067 9.6919 9.6919 10.1890 10.1890 11.3545 11.3545 12.5978 12.5978 13.3565 13.3565 k = 0.0854 0.5000-0.0000 ( 1986 PWs) bands (ev): -3.7675 -3.7675 -3.7467 -3.7467 -1.6751 -1.6751 -1.6083 -1.6083 -1.5591 -1.5591 -0.7820 -0.7820 1.3676 1.3676 8.9485 8.9485 9.5678 9.5678 10.1648 10.1648 11.4739 11.4739 12.6510 12.6510 13.3916 13.3916 k = 0.0976 0.5000-0.0000 ( 1980 PWs) bands (ev): -3.7674 -3.7674 -3.7475 -3.7475 -1.6814 -1.6814 -1.6106 -1.6106 -1.5593 -1.5593 -0.7495 -0.7495 1.3894 1.3894 8.7809 8.7809 9.4346 9.4346 10.1479 10.1479 11.5862 11.5862 12.7068 12.7068 13.4298 13.4298 k = 0.1098 0.5000-0.0000 ( 1976 PWs) bands (ev): -3.7673 -3.7673 -3.7484 -3.7484 -1.6886 -1.6886 -1.6127 -1.6127 -1.5589 -1.5589 -0.7139 -0.7139 1.4141 1.4141 8.6075 8.6075 9.2923 9.2923 10.1371 10.1371 11.6917 11.6917 12.7643 12.7643 13.4705 13.4705 k = 0.1220 0.5000-0.0000 ( 1980 PWs) bands (ev): -3.7672 -3.7672 -3.7494 -3.7494 -1.6966 -1.6966 -1.6144 -1.6144 -1.5581 -1.5581 -0.6754 -0.6754 1.4419 1.4419 8.4307 8.4307 9.1422 9.1422 10.1314 10.1314 11.7907 11.7907 12.8230 12.8230 13.5131 13.5131 k = 0.1341 0.5000-0.0000 ( 1980 PWs) bands (ev): -3.7672 -3.7672 -3.7504 -3.7504 -1.7052 -1.7052 -1.6157 -1.6157 -1.5568 -1.5568 -0.6342 -0.6342 1.4726 1.4726 8.2521 8.2521 8.9854 8.9854 10.1296 10.1296 11.8838 11.8838 12.8827 12.8827 13.5573 13.5573 k = 0.1463 0.5000-0.0000 ( 1976 PWs) bands (ev): -3.7673 -3.7673 -3.7514 -3.7514 -1.7142 -1.7142 -1.6167 -1.6167 -1.5551 -1.5551 -0.5906 -0.5906 1.5063 1.5063 8.0729 8.0729 8.8233 8.8233 10.1309 10.1309 11.9718 11.9718 12.9432 12.9432 13.6027 13.6027 k = 0.1585 0.5000-0.0000 ( 1980 PWs) bands (ev): -3.7674 -3.7674 -3.7525 -3.7525 -1.7234 -1.7234 -1.6175 -1.6175 -1.5532 -1.5532 -0.5448 -0.5448 1.5431 1.5431 7.8939 7.8939 8.6570 8.6570 10.1347 10.1347 12.0554 12.0554 13.0043 13.0043 13.6490 13.6490 k = 0.1707 0.5000-0.0000 ( 1980 PWs) bands (ev): -3.7677 -3.7677 -3.7534 -3.7534 -1.7326 -1.7326 -1.6180 -1.6180 -1.5509 -1.5509 -0.4969 -0.4969 1.5829 1.5829 7.7158 7.7158 8.4875 8.4875 10.1405 10.1405 12.1352 12.1352 13.0662 13.0662 13.6961 13.6961 k = 0.1829 0.5000-0.0000 ( 1976 PWs) bands (ev): -3.7681 -3.7681 -3.7543 -3.7543 -1.7418 -1.7418 -1.6183 -1.6183 -1.5484 -1.5484 -0.4471 -0.4471 1.6257 1.6257 7.5391 7.5391 8.3155 8.3155 10.1479 10.1479 12.2121 12.2121 13.1288 13.1288 13.7441 13.7441 k = 0.1951 0.5000-0.0000 ( 1976 PWs) bands (ev): -3.7687 -3.7687 -3.7550 -3.7550 -1.7507 -1.7507 -1.6184 -1.6184 -1.5457 -1.5457 -0.3955 -0.3955 1.6716 1.6716 7.3643 7.3643 8.1419 8.1419 10.1566 10.1566 12.2865 12.2865 13.1922 13.1922 13.7927 13.7927 k = 0.2073 0.5000-0.0000 ( 1980 PWs) bands (ev): -3.7696 -3.7696 -3.7557 -3.7557 -1.7594 -1.7594 -1.6184 -1.6184 -1.5428 -1.5428 -0.3424 -0.3424 1.7206 1.7206 7.1916 7.1916 7.9671 7.9671 10.1664 10.1664 12.3590 12.3590 13.2565 13.2565 13.8422 13.8422 k = 0.2195 0.5000-0.0000 ( 1980 PWs) bands (ev): -3.7707 -3.7707 -3.7561 -3.7561 -1.7678 -1.7678 -1.6182 -1.6182 -1.5398 -1.5398 -0.2878 -0.2878 1.7726 1.7726 7.0216 7.0216 7.7919 7.7919 10.1770 10.1770 12.4301 12.4301 13.3216 13.3216 13.8925 13.8925 k = 0.2317 0.5000-0.0000 ( 1986 PWs) bands (ev): -3.7719 -3.7719 -3.7564 -3.7564 -1.7758 -1.7758 -1.6180 -1.6180 -1.5367 -1.5367 -0.2319 -0.2319 1.8278 1.8278 6.8544 6.8544 7.6165 7.6165 10.1884 10.1884 12.5000 12.5000 13.3876 13.3876 13.9438 13.9438 k = 0.2439 0.5000-0.0000 ( 1986 PWs) bands (ev): -3.7734 -3.7734 -3.7565 -3.7565 -1.7834 -1.7834 -1.6176 -1.6176 -1.5335 -1.5335 -0.1749 -0.1749 1.8860 1.8860 6.6903 6.6903 7.4414 7.4414 10.2004 10.2004 12.5689 12.5689 13.4544 13.4544 13.9961 13.9961 k = 0.2561 0.5000-0.0000 ( 1986 PWs) bands (ev): -3.7749 -3.7749 -3.7566 -3.7566 -1.7907 -1.7907 -1.6172 -1.6172 -1.5302 -1.5302 -0.1170 -0.1170 1.9472 1.9472 6.5298 6.5298 7.2671 7.2671 10.2129 10.2129 12.6371 12.6371 13.5221 13.5221 14.0495 14.0495 k = 0.2683 0.5000-0.0000 ( 1994 PWs) bands (ev): -3.7766 -3.7766 -3.7566 -3.7566 -1.7975 -1.7975 -1.6168 -1.6168 -1.5269 -1.5269 -0.0583 -0.0583 2.0115 2.0115 6.3730 6.3730 7.0937 7.0937 10.2256 10.2256 12.7047 12.7047 13.5906 13.5906 14.1042 14.1042 k = 0.2805 0.5000-0.0000 ( 1986 PWs) bands (ev): -3.7783 -3.7783 -3.7565 -3.7565 -1.8039 -1.8039 -1.6163 -1.6163 -1.5235 -1.5235 0.0009 0.0009 2.0788 2.0788 6.2202 6.2202 6.9217 6.9217 10.2385 10.2385 12.7716 12.7716 13.6597 13.6597 14.1602 14.1602 k = 0.2927 0.5000-0.0000 ( 1980 PWs) bands (ev): -3.7801 -3.7801 -3.7563 -3.7563 -1.8099 -1.8099 -1.6157 -1.6157 -1.5202 -1.5202 0.0604 0.0604 2.1491 2.1491 6.0719 6.0719 6.7513 6.7513 10.2516 10.2516 12.8378 12.8378 13.7294 13.7294 14.2177 14.2177 k = 0.3049 0.5000-0.0000 ( 1984 PWs) bands (ev): -3.7819 -3.7819 -3.7562 -3.7562 -1.8156 -1.8156 -1.6151 -1.6151 -1.5169 -1.5169 0.1200 0.1200 2.2222 2.2222 5.9282 5.9282 6.5828 6.5828 10.2646 10.2646 12.9031 12.9031 13.7994 13.7994 14.2765 14.2765 k = 0.3171 0.5000-0.0000 ( 1984 PWs) bands (ev): -3.7837 -3.7837 -3.7560 -3.7560 -1.8208 -1.8208 -1.6145 -1.6145 -1.5136 -1.5136 0.1793 0.1793 2.2981 2.2981 5.7895 5.7895 6.4164 6.4164 10.2775 10.2775 12.9675 12.9675 13.8697 13.8697 14.3367 14.3367 k = 0.3293 0.5000-0.0000 ( 1976 PWs) bands (ev): -3.7854 -3.7854 -3.7558 -3.7558 -1.8256 -1.8256 -1.6139 -1.6139 -1.5105 -1.5105 0.2381 0.2381 2.3768 2.3768 5.6563 5.6563 6.2526 6.2526 10.2901 10.2901 13.0306 13.0306 13.9399 13.9399 14.3983 14.3983 k = 0.3415 0.5000-0.0000 ( 1984 PWs) bands (ev): -3.7871 -3.7871 -3.7556 -3.7556 -1.8301 -1.8301 -1.6133 -1.6133 -1.5074 -1.5074 0.2961 0.2961 2.4579 2.4579 5.5288 5.5288 6.0915 6.0915 10.3024 10.3024 13.0923 13.0923 14.0100 14.0100 14.4612 14.4612 k = 0.3537 0.5000-0.0000 ( 1984 PWs) bands (ev): -3.7887 -3.7887 -3.7555 -3.7555 -1.8342 -1.8342 -1.6127 -1.6127 -1.5045 -1.5045 0.3527 0.3527 2.5414 2.5414 5.4075 5.4075 5.9335 5.9335 10.3142 10.3142 13.1520 13.1520 14.0795 14.0795 14.5251 14.5251 k = 0.3659 0.5000-0.0000 ( 1984 PWs) bands (ev): -3.7903 -3.7903 -3.7553 -3.7553 -1.8379 -1.8379 -1.6121 -1.6121 -1.5017 -1.5017 0.4078 0.4078 2.6270 2.6270 5.2929 5.2929 5.7791 5.7791 10.3256 10.3256 13.2096 13.2096 14.1483 14.1483 14.5897 14.5897 k = 0.3780 0.5000-0.0000 ( 1982 PWs) bands (ev): -3.7918 -3.7918 -3.7551 -3.7551 -1.8413 -1.8413 -1.6115 -1.6115 -1.4991 -1.4991 0.4606 0.4606 2.7143 2.7143 5.1855 5.1855 5.6286 5.6286 10.3363 10.3363 13.2644 13.2644 14.2159 14.2159 14.6548 14.6548 k = 0.3902 0.5000-0.0000 ( 1982 PWs) bands (ev): -3.7932 -3.7932 -3.7550 -3.7550 -1.8443 -1.8443 -1.6110 -1.6110 -1.4967 -1.4967 0.5109 0.5109 2.8029 2.8029 5.0857 5.0857 5.4827 5.4827 10.3462 10.3462 13.3162 13.3162 14.2820 14.2820 14.7196 14.7196 k = 0.4024 0.5000-0.0000 ( 1986 PWs) bands (ev): -3.7944 -3.7944 -3.7548 -3.7548 -1.8470 -1.8470 -1.6105 -1.6105 -1.4945 -1.4945 0.5580 0.5580 2.8921 2.8921 4.9941 4.9941 5.3420 5.3420 10.3554 10.3554 13.3643 13.3643 14.3458 14.3458 14.7837 14.7837 k = 0.4146 0.5000-0.0000 ( 1986 PWs) bands (ev): -3.7956 -3.7956 -3.7547 -3.7547 -1.8494 -1.8494 -1.6100 -1.6100 -1.4925 -1.4925 0.6014 0.6014 2.9811 2.9811 4.9112 4.9112 5.2077 5.2077 10.3637 10.3637 13.4082 13.4082 14.4068 14.4068 14.8462 14.8462 k = 0.4268 0.5000-0.0000 ( 1982 PWs) bands (ev): -3.7965 -3.7965 -3.7546 -3.7546 -1.8514 -1.8514 -1.6096 -1.6096 -1.4908 -1.4908 0.6405 0.6405 3.0685 3.0685 4.8375 4.8375 5.0810 5.0810 10.3710 10.3710 13.4476 13.4476 14.4640 14.4640 14.9060 14.9060 k = 0.4390 0.5000-0.0000 ( 1982 PWs) bands (ev): -3.7974 -3.7974 -3.7545 -3.7545 -1.8531 -1.8531 -1.6092 -1.6092 -1.4893 -1.4893 0.6748 0.6748 3.1527 3.1527 4.7735 4.7735 4.9640 4.9640 10.3773 10.3773 13.4818 13.4818 14.5162 14.5162 14.9621 14.9621 k = 0.4512 0.5000-0.0000 ( 1986 PWs) bands (ev): -3.7981 -3.7981 -3.7544 -3.7544 -1.8545 -1.8545 -1.6089 -1.6089 -1.4880 -1.4880 0.7038 0.7038 3.2312 3.2312 4.7193 4.7193 4.8596 4.8596 10.3826 10.3826 13.5105 13.5105 14.5621 14.5621 15.0128 15.0128 k = 0.4634 0.5000-0.0000 ( 1986 PWs) bands (ev): -3.7987 -3.7987 -3.7544 -3.7544 -1.8556 -1.8556 -1.6087 -1.6087 -1.4870 -1.4870 0.7269 0.7269 3.3003 3.3003 4.6746 4.6746 4.7722 4.7722 10.3867 10.3867 13.5333 13.5333 14.6001 14.6001 15.0563 15.0563 k = 0.4756 0.5000-0.0000 ( 1986 PWs) bands (ev): -3.7991 -3.7991 -3.7543 -3.7543 -1.8564 -1.8564 -1.6085 -1.6085 -1.4863 -1.4863 0.7437 0.7437 3.3556 3.3556 4.6384 4.6384 4.7078 4.7078 10.3897 10.3897 13.5498 13.5498 14.6286 14.6286 15.0901 15.0901 k = 0.4878 0.5000-0.0000 ( 1992 PWs) bands (ev): -3.7993 -3.7993 -3.7543 -3.7543 -1.8568 -1.8568 -1.6084 -1.6084 -1.4859 -1.4859 0.7539 0.7539 3.3919 3.3919 4.6116 4.6116 4.6709 4.6709 10.3915 10.3915 13.5598 13.5598 14.6464 14.6464 15.1118 15.1118 k = 0.5000 0.5000-0.0000 ( 2000 PWs) bands (ev): -3.7994 -3.7994 -3.7543 -3.7543 -1.8570 -1.8570 -1.6084 -1.6084 -1.4858 -1.4858 0.7573 0.7573 3.4046 3.4046 4.6011 4.6011 4.6596 4.6596 10.3921 10.3921 13.5631 13.5631 14.6525 14.6525 15.1193 15.1193 k = 0.5000 0.5000-0.0000 ( 2000 PWs) bands (ev): -3.7994 -3.7994 -3.7543 -3.7543 -1.8570 -1.8570 -1.6084 -1.6084 -1.4858 -1.4858 0.7573 0.7573 3.4046 3.4046 4.6011 4.6011 4.6596 4.6596 10.3921 10.3921 13.5631 13.5631 14.6525 14.6525 15.1193 15.1193 k = 0.4914 0.4914-0.0000 ( 1999 PWs) bands (ev): -3.7994 -3.7994 -3.7543 -3.7543 -1.8569 -1.8569 -1.6085 -1.6085 -1.4859 -1.4859 0.7539 0.7539 3.3919 3.3919 4.6106 4.6106 4.6719 4.6719 10.3915 10.3915 13.5598 13.5598 14.6464 14.6464 15.1119 15.1119 k = 0.4828 0.4828-0.0000 ( 1981 PWs) bands (ev): -3.7991 -3.7991 -3.7543 -3.7543 -1.8564 -1.8564 -1.6085 -1.6085 -1.4863 -1.4863 0.7436 0.7436 3.3567 3.3567 4.6267 4.6267 4.7185 4.7185 10.3897 10.3897 13.5497 13.5497 14.6283 14.6283 15.0914 15.0914 k = 0.4741 0.4741-0.0000 ( 1981 PWs) bands (ev): -3.7987 -3.7987 -3.7543 -3.7543 -1.8556 -1.8556 -1.6087 -1.6087 -1.4870 -1.4870 0.7264 0.7264 3.3048 3.3048 4.6404 4.6404 4.8024 4.8024 10.3865 10.3865 13.5329 13.5329 14.5984 14.5984 15.0622 15.0622 k = 0.4655 0.4655-0.0000 ( 1981 PWs) bands (ev): -3.7981 -3.7981 -3.7544 -3.7544 -1.8545 -1.8545 -1.6089 -1.6089 -1.4880 -1.4880 0.7022 0.7022 3.2433 3.2433 4.6546 4.6546 4.9138 4.9138 10.3820 10.3820 13.5092 13.5092 14.5574 14.5574 15.0295 15.0295 k = 0.4569 0.4569-0.0000 ( 1983 PWs) bands (ev): -3.7974 -3.7974 -3.7545 -3.7545 -1.8532 -1.8532 -1.6093 -1.6093 -1.4892 -1.4892 0.6710 0.6710 3.1778 3.1778 4.6712 4.6712 5.0451 5.0451 10.3760 10.3760 13.4788 13.4788 14.5063 14.5063 14.9976 14.9976 k = 0.4483 0.4483-0.0000 ( 1983 PWs) bands (ev): -3.7966 -3.7966 -3.7546 -3.7546 -1.8516 -1.8516 -1.6096 -1.6096 -1.4907 -1.4907 0.6329 0.6329 3.1126 3.1126 4.6907 4.6907 5.1915 5.1915 10.3682 10.3682 13.4416 13.4416 14.4472 14.4472 14.9696 14.9696 k = 0.4397 0.4397-0.0000 ( 1983 PWs) bands (ev): -3.7956 -3.7956 -3.7547 -3.7547 -1.8497 -1.8497 -1.6101 -1.6101 -1.4925 -1.4925 0.5879 0.5879 3.0505 3.0505 4.7134 4.7134 5.3498 5.3498 10.3584 10.3584 13.3976 13.3976 14.3822 14.3822 14.9473 14.9473 k = 0.4310 0.4310-0.0000 ( 1979 PWs) bands (ev): -3.7945 -3.7945 -3.7548 -3.7548 -1.8475 -1.8475 -1.6105 -1.6105 -1.4944 -1.4944 0.5362 0.5362 2.9936 2.9936 4.7394 4.7394 5.5176 5.5176 10.3465 10.3465 13.3472 13.3472 14.3138 14.3138 14.9314 14.9314 k = 0.4224 0.4224-0.0000 ( 1979 PWs) bands (ev): -3.7932 -3.7932 -3.7549 -3.7549 -1.8451 -1.8451 -1.6111 -1.6111 -1.4966 -1.4966 0.4781 0.4781 2.9431 2.9431 4.7686 4.7686 5.6933 5.6933 10.3322 10.3322 13.2906 13.2906 14.2446 14.2446 14.9221 14.9221 k = 0.4138 0.4138-0.0000 ( 1981 PWs) bands (ev): -3.7919 -3.7919 -3.7551 -3.7551 -1.8424 -1.8424 -1.6117 -1.6117 -1.4990 -1.4990 0.4140 0.4140 2.8996 2.8996 4.8010 4.8010 5.8759 5.8759 10.3152 10.3152 13.2281 13.2281 14.1767 14.1767 14.9193 14.9193 k = 0.4052 0.4052-0.0000 ( 1981 PWs) bands (ev): -3.7904 -3.7904 -3.7553 -3.7553 -1.8396 -1.8396 -1.6124 -1.6124 -1.5015 -1.5015 0.3444 0.3444 2.8636 2.8636 4.8367 4.8367 6.0644 6.0644 10.2953 10.2953 13.1599 13.1599 14.1122 14.1122 14.9226 14.9226 k = 0.3966 0.3966-0.0000 ( 1981 PWs) bands (ev): -3.7889 -3.7889 -3.7554 -3.7554 -1.8366 -1.8366 -1.6131 -1.6131 -1.5042 -1.5042 0.2698 0.2698 2.8351 2.8351 4.8755 4.8755 6.2582 6.2582 10.2721 10.2721 13.0867 13.0867 14.0525 14.0525 14.9317 14.9317 k = 0.3879 0.3879-0.0000 ( 1985 PWs) bands (ev): -3.7873 -3.7873 -3.7556 -3.7556 -1.8334 -1.8334 -1.6138 -1.6138 -1.5070 -1.5070 0.1909 0.1909 2.8140 2.8140 4.9175 4.9175 6.4566 6.4566 10.2457 10.2457 13.0087 13.0087 13.9991 13.9991 14.9463 14.9463 k = 0.3793 0.3793-0.0000 ( 1979 PWs) bands (ev): -3.7857 -3.7857 -3.7558 -3.7558 -1.8302 -1.8302 -1.6146 -1.6146 -1.5100 -1.5100 0.1083 0.1083 2.8001 2.8001 4.9626 4.9626 6.6591 6.6591 10.2156 10.2156 12.9266 12.9266 13.9530 13.9530 14.9659 14.9659 k = 0.3707 0.3707-0.0000 ( 1979 PWs) bands (ev): -3.7840 -3.7840 -3.7560 -3.7560 -1.8268 -1.8268 -1.6154 -1.6154 -1.5130 -1.5130 0.0228 0.0228 2.7930 2.7930 5.0108 5.0108 6.8654 6.8654 10.1819 10.1819 12.8409 12.8409 13.9148 13.9148 14.9902 14.9902 k = 0.3621 0.3621-0.0000 ( 1987 PWs) bands (ev): -3.7823 -3.7823 -3.7562 -3.7562 -1.8234 -1.8234 -1.6163 -1.6163 -1.5160 -1.5160 -0.0652 -0.0652 2.7924 2.7924 5.0619 5.0619 7.0749 7.0749 10.1446 10.1446 12.7521 12.7521 13.8852 13.8852 15.0188 15.0188 k = 0.3534 0.3534-0.0000 ( 1995 PWs) bands (ev): -3.7806 -3.7806 -3.7564 -3.7564 -1.8201 -1.8201 -1.6172 -1.6172 -1.5191 -1.5191 -0.1548 -0.1548 2.7979 2.7979 5.1159 5.1159 7.2874 7.2874 10.1035 10.1035 12.6610 12.6610 13.8643 13.8643 15.0514 15.0514 k = 0.3448 0.3448-0.0000 ( 1999 PWs) bands (ev): -3.7788 -3.7788 -3.7567 -3.7567 -1.8168 -1.8168 -1.6181 -1.6181 -1.5222 -1.5222 -0.2455 -0.2455 2.8092 2.8092 5.1728 5.1728 7.5024 7.5024 10.0588 10.0588 12.5680 12.5680 13.8522 13.8522 15.0877 15.0877 k = 0.3362 0.3362-0.0000 ( 2003 PWs) bands (ev): -3.7771 -3.7771 -3.7569 -3.7569 -1.8137 -1.8137 -1.6190 -1.6190 -1.5253 -1.5253 -0.3369 -0.3369 2.8259 2.8259 5.2325 5.2325 7.7194 7.7194 10.0108 10.0108 12.4739 12.4739 13.8489 13.8489 15.1273 15.1273 k = 0.3276 0.3276-0.0000 ( 1999 PWs) bands (ev): -3.7754 -3.7754 -3.7571 -3.7571 -1.8107 -1.8107 -1.6200 -1.6200 -1.5284 -1.5284 -0.4283 -0.4283 2.8478 2.8478 5.2949 5.2949 7.9379 7.9379 9.9596 9.9596 12.3792 12.3792 13.8544 13.8544 15.1701 15.1701 k = 0.3190 0.3190-0.0000 ( 1991 PWs) bands (ev): -3.7737 -3.7737 -3.7573 -3.7573 -1.8081 -1.8081 -1.6209 -1.6209 -1.5313 -1.5313 -0.5192 -0.5192 2.8744 2.8744 5.3599 5.3599 8.1573 8.1573 9.9056 9.9056 12.2847 12.2847 13.8682 13.8682 15.2157 15.2157 k = 0.3103 0.3103-0.0000 ( 1991 PWs) bands (ev): -3.7721 -3.7721 -3.7575 -3.7575 -1.8059 -1.8059 -1.6219 -1.6219 -1.5341 -1.5341 -0.6093 -0.6093 2.9057 2.9057 5.4274 5.4274 8.3767 8.3767 9.8493 9.8493 12.1910 12.1910 13.8901 13.8901 15.2638 15.2638 k = 0.3017 0.3017-0.0000 ( 1985 PWs) bands (ev): -3.7705 -3.7705 -3.7577 -3.7577 -1.8043 -1.8043 -1.6228 -1.6228 -1.5369 -1.5369 -0.6981 -0.6981 2.9412 2.9412 5.4975 5.4975 8.5950 8.5950 9.7913 9.7913 12.0990 12.0990 13.9198 13.9198 15.3141 15.3141 k = 0.2931 0.2931-0.0000 ( 1985 PWs) bands (ev): -3.7690 -3.7690 -3.7579 -3.7579 -1.8034 -1.8034 -1.6238 -1.6238 -1.5395 -1.5395 -0.7852 -0.7852 2.9809 2.9809 5.5698 5.5698 8.8102 8.8102 9.7329 9.7329 12.0098 12.0098 13.9570 13.9570 15.3663 15.3663 k = 0.2845 0.2845-0.0000 ( 1985 PWs) bands (ev): -3.7675 -3.7675 -3.7581 -3.7581 -1.8034 -1.8034 -1.6247 -1.6247 -1.5419 -1.5419 -0.8701 -0.8701 3.0246 3.0246 5.6444 5.6444 9.0189 9.0189 9.6764 9.6764 11.9246 11.9246 14.0011 14.0011 15.4200 15.4200 k = 0.2759 0.2759-0.0000 ( 1981 PWs) bands (ev): -3.7662 -3.7662 -3.7583 -3.7583 -1.8046 -1.8046 -1.6256 -1.6256 -1.5442 -1.5442 -0.9524 -0.9524 3.0720 3.0720 5.7212 5.7212 9.2121 9.2121 9.6292 9.6292 11.8454 11.8454 14.0519 14.0519 15.4747 15.4747 k = 0.2672 0.2672-0.0000 ( 1979 PWs) bands (ev): -3.7649 -3.7649 -3.7585 -3.7585 -1.8073 -1.8073 -1.6265 -1.6265 -1.5463 -1.5463 -1.0316 -1.0316 3.1231 3.1231 5.8000 5.8000 9.3557 9.3557 9.6228 9.6228 11.7748 11.7748 14.1088 14.1088 15.5300 15.5300 k = 0.2586 0.2586-0.0000 ( 1979 PWs) bands (ev): -3.7637 -3.7637 -3.7586 -3.7586 -1.8118 -1.8118 -1.6274 -1.6274 -1.5482 -1.5482 -1.1071 -1.1071 3.1776 3.1776 5.8807 5.8807 9.3846 9.3846 9.7186 9.7186 11.7168 11.7168 14.1714 14.1714 15.5850 15.5850 k = 0.2500 0.2500-0.0000 ( 1979 PWs) bands (ev): -3.7626 -3.7626 -3.7588 -3.7588 -1.8187 -1.8187 -1.6283 -1.6283 -1.5500 -1.5500 -1.1784 -1.1784 3.2356 3.2356 5.9632 5.9632 9.3444 9.3444 9.8656 9.8656 11.6768 11.6768 14.2393 14.2393 15.6388 15.6388 k = 0.2414 0.2414-0.0000 ( 1973 PWs) bands (ev): -3.7616 -3.7616 -3.7590 -3.7590 -1.8286 -1.8286 -1.6291 -1.6291 -1.5517 -1.5517 -1.2445 -1.2445 3.2967 3.2967 6.0472 6.0472 9.2866 9.2866 10.0047 10.0047 11.6624 11.6624 14.3120 14.3120 15.6899 15.6899 k = 0.2328 0.2328-0.0000 ( 1973 PWs) bands (ev): -3.7607 -3.7607 -3.7591 -3.7591 -1.8421 -1.8421 -1.6299 -1.6299 -1.5535 -1.5535 -1.3046 -1.3046 3.3611 3.3611 6.1327 6.1327 9.2238 9.2238 10.1150 10.1150 11.6820 11.6820 14.3887 14.3887 15.7353 15.7353 k = 0.2241 0.2241-0.0000 ( 1971 PWs) bands (ev): -3.7599 -3.7599 -3.7593 -3.7593 -1.8600 -1.8600 -1.6307 -1.6307 -1.5554 -1.5554 -1.3578 -1.3578 3.4284 3.4284 6.2195 6.2195 9.1592 9.1592 10.1866 10.1866 11.7421 11.7421 14.4685 14.4685 15.6094 15.6094 k = 0.2155 0.2155-0.0000 ( 1973 PWs) bands (ev): -3.7594 -3.7594 -3.7592 -3.7592 -1.8827 -1.8827 -1.6314 -1.6314 -1.5579 -1.5579 -1.4032 -1.4032 3.4986 3.4986 6.3073 6.3073 9.0943 9.0943 10.2168 10.2168 11.8437 11.8437 14.5501 14.5501 15.4732 15.4732 k = 0.2069 0.2069-0.0000 ( 1971 PWs) bands (ev): -3.7596 -3.7596 -3.7586 -3.7586 -1.9107 -1.9107 -1.6321 -1.6321 -1.5611 -1.5611 -1.4400 -1.4400 3.5715 3.5715 6.3960 6.3960 9.0300 9.0300 10.2098 10.2098 11.9816 11.9816 14.6306 14.6306 15.3433 15.3433 k = 0.1983 0.1983-0.0000 ( 1973 PWs) bands (ev): -3.7597 -3.7597 -3.7581 -3.7581 -1.9435 -1.9435 -1.6327 -1.6327 -1.5658 -1.5658 -1.4679 -1.4679 3.6471 3.6471 6.4853 6.4853 8.9666 8.9666 10.1733 10.1733 12.1473 12.1473 14.7034 14.7034 15.2268 15.2268 k = 0.1897 0.1897-0.0000 ( 1981 PWs) bands (ev): -3.7599 -3.7599 -3.7578 -3.7578 -1.9807 -1.9807 -1.6334 -1.6334 -1.5720 -1.5720 -1.4873 -1.4873 3.7252 3.7252 6.5748 6.5748 8.9046 8.9046 10.1152 10.1152 12.3322 12.3322 14.7519 14.7519 15.1403 15.1403 k = 0.1810 0.1810-0.0000 ( 1985 PWs) bands (ev): -3.7600 -3.7600 -3.7575 -3.7575 -2.0210 -2.0210 -1.6340 -1.6340 -1.5795 -1.5795 -1.4995 -1.4995 3.8057 3.8057 6.6643 6.6643 8.8444 8.8444 10.0418 10.0418 12.5290 12.5290 14.7451 14.7451 15.1126 15.1126 k = 0.1724 0.1724-0.0000 ( 1977 PWs) bands (ev): -3.7601 -3.7601 -3.7573 -3.7573 -2.0634 -2.0634 -1.6345 -1.6345 -1.5875 -1.5875 -1.5065 -1.5065 3.8883 3.8883 6.7533 6.7533 8.7862 8.7862 9.9575 9.9575 12.7324 12.7324 14.6797 14.6797 15.1403 15.1403 k = 0.1638 0.1638-0.0000 ( 1977 PWs) bands (ev): -3.7602 -3.7602 -3.7572 -3.7572 -2.1068 -2.1068 -1.6350 -1.6350 -1.5951 -1.5951 -1.5101 -1.5101 3.9728 3.9728 6.8415 6.8415 8.7304 8.7304 9.8656 9.8656 12.9377 12.9377 14.5879 14.5879 15.1669 15.1669 k = 0.1552 0.1552-0.0000 ( 1977 PWs) bands (ev): -3.7603 -3.7603 -3.7571 -3.7571 -2.1503 -2.1503 -1.6355 -1.6355 -1.6019 -1.6019 -1.5115 -1.5115 4.0591 4.0591 6.9282 6.9282 8.6774 8.6774 9.7683 9.7683 13.1409 13.1409 14.4905 14.4905 15.1276 15.1276 k = 0.1466 0.1466-0.0000 ( 1977 PWs) bands (ev): -3.7604 -3.7604 -3.7572 -3.7572 -2.1933 -2.1933 -1.6360 -1.6360 -1.6079 -1.6079 -1.5117 -1.5117 4.1470 4.1470 7.0130 7.0130 8.6274 8.6274 9.6676 9.6676 13.3379 13.3379 14.3968 14.3968 15.0244 15.0244 k = 0.1379 0.1379-0.0000 ( 1965 PWs) bands (ev): -3.7604 -3.7604 -3.7573 -3.7573 -2.2352 -2.2352 -1.6364 -1.6364 -1.6129 -1.6129 -1.5110 -1.5110 4.2360 4.2360 7.0950 7.0950 8.5810 8.5810 9.5646 9.5646 13.5225 13.5225 14.3132 14.3132 14.8961 14.8961 k = 0.1293 0.1293-0.0000 ( 1971 PWs) bands (ev): -3.7605 -3.7605 -3.7574 -3.7574 -2.2756 -2.2756 -1.6367 -1.6367 -1.6172 -1.6172 -1.5098 -1.5098 4.3260 4.3260 7.1735 7.1735 8.5384 8.5384 9.4607 9.4607 13.6839 13.6839 14.2490 14.2490 14.7613 14.7613 k = 0.1207 0.1207-0.0000 ( 1971 PWs) bands (ev): -3.7606 -3.7606 -3.7577 -3.7577 -2.3141 -2.3141 -1.6371 -1.6371 -1.6209 -1.6209 -1.5082 -1.5082 4.4165 4.4165 7.2474 7.2474 8.5004 8.5004 9.3570 9.3570 13.7981 13.7981 14.2245 14.2245 14.6294 14.6294 k = 0.1121 0.1121-0.0000 ( 1967 PWs) bands (ev): -3.7607 -3.7607 -3.7579 -3.7579 -2.3505 -2.3505 -1.6374 -1.6374 -1.6240 -1.6240 -1.5065 -1.5065 4.5072 4.5072 7.3155 7.3155 8.4674 8.4674 9.2544 9.2544 13.8369 13.8369 14.2557 14.2557 14.5147 14.5147 k = 0.1034 0.1034-0.0000 ( 1967 PWs) bands (ev): -3.7607 -3.7607 -3.7582 -3.7582 -2.3847 -2.3847 -1.6377 -1.6377 -1.6267 -1.6267 -1.5046 -1.5046 4.5974 4.5974 7.3767 7.3767 8.4403 8.4403 9.1541 9.1541 13.8157 13.8157 14.2651 14.2651 14.4800 14.4800 k = 0.0948 0.0948-0.0000 ( 1971 PWs) bands (ev): -3.7608 -3.7608 -3.7585 -3.7585 -2.4165 -2.4165 -1.6379 -1.6379 -1.6290 -1.6290 -1.5027 -1.5027 4.6866 4.6866 7.4295 7.4295 8.4196 8.4196 9.0571 9.0571 13.7707 13.7707 14.1789 14.1789 14.5635 14.5635 k = 0.0862 0.0862-0.0000 ( 1967 PWs) bands (ev): -3.7609 -3.7609 -3.7589 -3.7589 -2.4457 -2.4457 -1.6381 -1.6381 -1.6310 -1.6310 -1.5008 -1.5008 4.7741 4.7741 7.4727 7.4727 8.4060 8.4060 8.9646 8.9646 13.7197 13.7197 14.0694 14.0694 14.6756 14.6756 k = 0.0776 0.0776-0.0000 ( 1973 PWs) bands (ev): -3.7609 -3.7609 -3.7592 -3.7592 -2.4723 -2.4723 -1.6383 -1.6383 -1.6327 -1.6327 -1.4991 -1.4991 4.8591 4.8591 7.5055 7.5055 8.3996 8.3996 8.8776 8.8776 13.6694 13.6694 13.9610 13.9610 14.7857 14.7857 k = 0.0690 0.0690-0.0000 ( 1969 PWs) bands (ev): -3.7610 -3.7610 -3.7596 -3.7596 -2.4963 -2.4963 -1.6385 -1.6385 -1.6341 -1.6341 -1.4974 -1.4974 4.9406 4.9406 7.5274 7.5274 8.4003 8.4003 8.7973 8.7973 13.6224 13.6224 13.8590 13.8590 14.8867 14.8867 k = 0.0603 0.0603-0.0000 ( 1961 PWs) bands (ev): -3.7610 -3.7610 -3.7599 -3.7599 -2.5175 -2.5175 -1.6386 -1.6386 -1.6353 -1.6353 -1.4958 -1.4958 5.0176 5.0176 7.5392 7.5392 8.4071 8.4071 8.7247 8.7247 13.5801 13.5801 13.7657 13.7657 14.9765 14.9765 k = 0.0517 0.0517-0.0000 ( 1957 PWs) bands (ev): -3.7610 -3.7610 -3.7602 -3.7602 -2.5360 -2.5360 -1.6388 -1.6388 -1.6364 -1.6364 -1.4944 -1.4944 5.0887 5.0887 7.5420 7.5420 8.4185 8.4185 8.6607 8.6607 13.5429 13.5429 13.6823 13.6823 15.0541 15.0541 k = 0.0431 0.0431-0.0000 ( 1957 PWs) bands (ev): -3.7611 -3.7611 -3.7604 -3.7604 -2.5517 -2.5517 -1.6388 -1.6388 -1.6372 -1.6372 -1.4932 -1.4932 5.1527 5.1527 7.5381 7.5381 8.4325 8.4325 8.6059 8.6059 13.5113 13.5113 13.6099 13.6099 15.1194 15.1194 k = 0.0345 0.0345-0.0000 ( 1953 PWs) bands (ev): -3.7611 -3.7611 -3.7607 -3.7607 -2.5645 -2.5645 -1.6389 -1.6389 -1.6379 -1.6379 -1.4922 -1.4922 5.2079 5.2079 7.5299 7.5299 8.4472 8.4472 8.5609 8.5609 13.4852 13.4852 13.5493 13.5493 15.1726 15.1726 k = 0.0259 0.0259-0.0000 ( 1949 PWs) bands (ev): -3.7611 -3.7611 -3.7609 -3.7609 -2.5745 -2.5745 -1.6390 -1.6390 -1.6384 -1.6384 -1.4914 -1.4914 5.2529 5.2529 7.5200 7.5200 8.4607 8.4607 8.5258 8.5258 13.4649 13.4649 13.5014 13.5014 15.2136 15.2136 k = 0.0172 0.0172-0.0000 ( 1937 PWs) bands (ev): -3.7611 -3.7611 -3.7610 -3.7610 -2.5817 -2.5817 -1.6390 -1.6390 -1.6387 -1.6387 -1.4908 -1.4908 5.2862 5.2862 7.5109 7.5109 8.4715 8.4715 8.5008 8.5008 13.4504 13.4504 13.4668 13.4668 15.2428 15.2428 k = 0.0086 0.0086-0.0000 ( 1935 PWs) bands (ev): -3.7611 -3.7611 -3.7611 -3.7611 -2.5860 -2.5860 -1.6390 -1.6390 -1.6390 -1.6390 -1.4905 -1.4905 5.3068 5.3068 7.5045 7.5045 8.4784 8.4784 8.4858 8.4858 13.4417 13.4417 13.4458 13.4458 15.2602 15.2602 k = 0.0000 0.0000 0.0000 ( 1935 PWs) bands (ev): -3.7611 -3.7611 -3.7611 -3.7611 -2.5874 -2.5874 -1.6390 -1.6390 -1.6390 -1.6390 -1.4903 -1.4903 5.3137 5.3137 7.5023 7.5023 8.4808 8.4808 8.4808 8.4808 13.4387 13.4387 13.4387 13.4387 15.2660 15.2660 k = 0.0000 0.0000 0.0000 ( 1935 PWs) bands (ev): -3.7611 -3.7611 -3.7611 -3.7611 -2.5874 -2.5874 -1.6390 -1.6390 -1.6390 -1.6390 -1.4903 -1.4903 5.3137 5.3137 7.5023 7.5023 8.4808 8.4808 8.4808 8.4808 13.4387 13.4387 13.4387 13.4387 15.2660 15.2660 k = 0.0070 0.0070 0.0070 ( 1935 PWs) bands (ev): -3.7611 -3.7611 -3.7611 -3.7611 -2.5860 -2.5860 -1.6390 -1.6390 -1.6390 -1.6390 -1.4905 -1.4905 5.3068 5.3068 7.5045 7.5045 8.4778 8.4778 8.4864 8.4864 13.4435 13.4435 13.4440 13.4440 15.2602 15.2602 k = 0.0141 0.0141 0.0141 ( 1941 PWs) bands (ev): -3.7610 -3.7610 -3.7610 -3.7610 -2.5817 -2.5817 -1.6390 -1.6390 -1.6388 -1.6388 -1.4908 -1.4908 5.2863 5.2863 7.5107 7.5107 8.4690 8.4690 8.5034 8.5034 13.4577 13.4577 13.4595 13.4595 15.2427 15.2427 k = 0.0211 0.0211 0.0211 ( 1947 PWs) bands (ev): -3.7610 -3.7610 -3.7610 -3.7610 -2.5745 -2.5745 -1.6389 -1.6389 -1.6384 -1.6384 -1.4914 -1.4914 5.2532 5.2532 7.5192 7.5192 8.4544 8.4544 8.5326 8.5326 13.4812 13.4812 13.4854 13.4854 15.2133 15.2133 k = 0.0282 0.0282 0.0282 ( 1953 PWs) bands (ev): -3.7609 -3.7609 -3.7608 -3.7608 -2.5645 -2.5645 -1.6388 -1.6388 -1.6380 -1.6380 -1.4922 -1.4922 5.2088 5.2088 7.5278 7.5278 8.4342 8.4342 8.5749 8.5749 13.5138 13.5138 13.5212 13.5212 15.1717 15.1717 k = 0.0352 0.0352 0.0352 ( 1953 PWs) bands (ev): -3.7608 -3.7608 -3.7607 -3.7607 -2.5516 -2.5516 -1.6386 -1.6386 -1.6374 -1.6374 -1.4932 -1.4932 5.1548 5.1548 7.5341 7.5341 8.4087 8.4087 8.6312 8.6312 13.5553 13.5553 13.5669 13.5669 15.1176 15.1176 k = 0.0423 0.0423 0.0423 ( 1959 PWs) bands (ev): -3.7607 -3.7607 -3.7605 -3.7605 -2.5360 -2.5360 -1.6384 -1.6384 -1.6367 -1.6367 -1.4944 -1.4944 5.0929 5.0929 7.5360 7.5360 8.3783 8.3783 8.7019 8.7019 13.6054 13.6054 13.6219 13.6219 15.0506 15.0506 k = 0.0493 0.0493 0.0493 ( 1959 PWs) bands (ev): -3.7605 -3.7605 -3.7603 -3.7603 -2.5175 -2.5175 -1.6381 -1.6381 -1.6358 -1.6358 -1.4958 -1.4958 5.0247 5.0247 7.5323 7.5323 8.3434 8.3434 8.7869 8.7869 13.6636 13.6636 13.6859 13.6859 14.9706 14.9706 k = 0.0563 0.0563 0.0563 ( 1959 PWs) bands (ev): -3.7603 -3.7603 -3.7602 -3.7602 -2.4963 -2.4963 -1.6376 -1.6376 -1.6348 -1.6348 -1.4973 -1.4973 4.9517 4.9517 7.5224 7.5224 8.3043 8.3043 8.8853 8.8853 13.7292 13.7292 13.7586 13.7586 14.8777 14.8777 k = 0.0634 0.0634 0.0634 ( 1968 PWs) bands (ev): -3.7602 -3.7602 -3.7600 -3.7600 -2.4723 -2.4723 -1.6371 -1.6371 -1.6337 -1.6337 -1.4990 -1.4990 4.8752 4.8752 7.5062 7.5062 8.2615 8.2615 8.9961 8.9961 13.8017 13.8017 13.8393 13.8393 14.7724 14.7724 k = 0.0704 0.0704 0.0704 ( 1974 PWs) bands (ev): -3.7599 -3.7599 -3.7599 -3.7599 -2.4458 -2.4458 -1.6363 -1.6363 -1.6325 -1.6325 -1.5007 -1.5007 4.7963 4.7963 7.4841 7.4841 8.2154 8.2154 9.1178 9.1178 13.8795 13.8795 13.9277 13.9277 14.6561 14.6561 k = 0.0775 0.0775 0.0775 ( 1968 PWs) bands (ev): -3.7597 -3.7597 -3.7597 -3.7597 -2.4166 -2.4166 -1.6353 -1.6353 -1.6311 -1.6311 -1.5025 -1.5025 4.7159 4.7159 7.4568 7.4568 8.1664 8.1664 9.2486 9.2486 13.9600 13.9600 14.0233 14.0233 14.5319 14.5319 k = 0.0845 0.0845 0.0845 ( 1968 PWs) bands (ev): -3.7596 -3.7596 -3.7595 -3.7595 -2.3850 -2.3850 -1.6341 -1.6341 -1.6296 -1.6296 -1.5043 -1.5043 4.6349 4.6349 7.4249 7.4249 8.1151 8.1151 9.3871 9.3871 14.0347 14.0347 14.1255 14.1255 14.4092 14.4092 k = 0.0915 0.0915 0.0915 ( 1968 PWs) bands (ev): -3.7595 -3.7595 -3.7592 -3.7592 -2.3510 -2.3510 -1.6326 -1.6326 -1.6280 -1.6280 -1.5059 -1.5059 4.5538 4.5538 7.3892 7.3892 8.0617 8.0617 9.5315 9.5315 14.0673 14.0673 14.2338 14.2338 14.3249 14.3249 k = 0.0986 0.0986 0.0986 ( 1968 PWs) bands (ev): -3.7595 -3.7595 -3.7589 -3.7589 -2.3149 -2.3149 -1.6307 -1.6307 -1.6263 -1.6263 -1.5074 -1.5074 4.4733 4.4733 7.3503 7.3503 8.0068 8.0068 9.6803 9.6803 13.9918 13.9918 14.3461 14.3461 14.3477 14.3477 k = 0.1056 0.1056 0.1056 ( 1968 PWs) bands (ev): -3.7595 -3.7595 -3.7586 -3.7586 -2.2767 -2.2767 -1.6283 -1.6283 -1.6245 -1.6245 -1.5085 -1.5085 4.3937 4.3937 7.3089 7.3089 7.9506 7.9506 9.8317 9.8317 13.8530 13.8530 14.4291 14.4291 14.4663 14.4663 k = 0.1127 0.1127 0.1127 ( 1968 PWs) bands (ev): -3.7595 -3.7595 -3.7583 -3.7583 -2.2368 -2.2368 -1.6255 -1.6255 -1.6225 -1.6225 -1.5090 -1.5090 4.3155 4.3155 7.2654 7.2654 7.8936 7.8936 9.9837 9.9837 13.6970 13.6970 14.5274 14.5274 14.5888 14.5888 k = 0.1197 0.1197 0.1197 ( 1971 PWs) bands (ev): -3.7596 -3.7596 -3.7581 -3.7581 -2.1955 -2.1955 -1.6222 -1.6222 -1.6205 -1.6205 -1.5086 -1.5086 4.2388 4.2388 7.2204 7.2204 7.8360 7.8360 10.1338 10.1338 13.5370 13.5370 14.6260 14.6260 14.7138 14.7138 k = 0.1268 0.1268 0.1268 ( 1971 PWs) bands (ev): -3.7598 -3.7598 -3.7578 -3.7578 -2.1533 -2.1533 -1.6184 -1.6184 -1.6183 -1.6183 -1.5069 -1.5069 4.1640 4.1640 7.1743 7.1743 7.7782 7.7782 10.2792 10.2792 13.3792 13.3792 14.7119 14.7119 14.8390 14.8390 k = 0.1338 0.1338 0.1338 ( 1965 PWs) bands (ev): -3.7600 -3.7600 -3.7574 -3.7574 -2.1106 -2.1106 -1.6161 -1.6161 -1.6142 -1.6142 -1.5031 -1.5031 4.0913 4.0913 7.1275 7.1275 7.7204 7.7204 10.4160 10.4160 13.2287 13.2287 14.7624 14.7624 14.9598 14.9598 k = 0.1408 0.1408 0.1408 ( 1962 PWs) bands (ev): -3.7603 -3.7603 -3.7571 -3.7571 -2.0683 -2.0683 -1.6137 -1.6137 -1.6099 -1.6099 -1.4965 -1.4965 4.0208 4.0208 7.0803 7.0803 7.6630 7.6630 10.5394 10.5394 13.0910 13.0910 14.7492 14.7492 15.0652 15.0652 k = 0.1479 0.1479 0.1479 ( 1962 PWs) bands (ev): -3.7606 -3.7606 -3.7568 -3.7568 -2.0270 -2.0270 -1.6113 -1.6113 -1.6059 -1.6059 -1.4857 -1.4857 3.9526 3.9526 7.0331 7.0331 7.6061 7.6061 10.6428 10.6428 12.9726 12.9726 14.6723 14.6723 15.1296 15.1296 k = 0.1549 0.1549 0.1549 ( 1962 PWs) bands (ev): -3.7610 -3.7610 -3.7565 -3.7565 -1.9878 -1.9878 -1.6088 -1.6088 -1.6026 -1.6026 -1.4695 -1.4695 3.8870 3.8870 6.9861 6.9861 7.5499 7.5499 10.7189 10.7189 12.8804 12.8804 14.5586 14.5586 15.1141 15.1141 k = 0.1620 0.1620 0.1620 ( 1956 PWs) bands (ev): -3.7614 -3.7614 -3.7562 -3.7562 -1.9516 -1.9516 -1.6062 -1.6062 -1.6002 -1.6002 -1.4466 -1.4466 3.8240 3.8240 6.9396 6.9396 7.4947 7.4947 10.7602 10.7602 12.8208 12.8208 14.4295 14.4295 15.0182 15.0182 k = 0.1690 0.1690 0.1690 ( 1953 PWs) bands (ev): -3.7619 -3.7619 -3.7559 -3.7559 -1.9191 -1.9191 -1.6036 -1.6036 -1.5989 -1.5989 -1.4162 -1.4162 3.7636 3.7636 6.8939 6.8939 7.4407 7.4407 10.7616 10.7616 12.7970 12.7970 14.2966 14.2966 14.8788 14.8788 k = 0.1761 0.1761 0.1761 ( 1959 PWs) bands (ev): -3.7625 -3.7625 -3.7556 -3.7556 -1.8910 -1.8910 -1.6008 -1.6008 -1.5986 -1.5986 -1.3779 -1.3779 3.7061 3.7061 6.8490 6.8490 7.3880 7.3880 10.7224 10.7224 12.8060 12.8060 14.1680 14.1680 14.7203 14.7203 k = 0.1831 0.1831 0.1831 ( 1959 PWs) bands (ev): -3.7630 -3.7630 -3.7553 -3.7553 -1.8672 -1.8672 -1.5992 -1.5992 -1.5981 -1.5981 -1.3319 -1.3319 3.6513 3.6513 6.8053 6.8053 7.3369 7.3369 10.6467 10.6467 12.8376 12.8376 14.0518 14.0518 14.5530 14.5530 k = 0.1901 0.1901 0.1901 ( 1953 PWs) bands (ev): -3.7636 -3.7636 -3.7551 -3.7551 -1.8476 -1.8476 -1.6003 -1.6003 -1.5952 -1.5952 -1.2786 -1.2786 3.5995 3.5995 6.7629 6.7629 7.2873 7.2873 10.5415 10.5415 12.8746 12.8746 13.9589 13.9589 14.3814 14.3814 k = 0.1972 0.1972 0.1972 ( 1956 PWs) bands (ev): -3.7642 -3.7642 -3.7549 -3.7549 -1.8317 -1.8317 -1.6018 -1.6018 -1.5923 -1.5923 -1.2189 -1.2189 3.5506 3.5506 6.7219 6.7219 7.2395 7.2395 10.4142 10.4142 12.8952 12.8952 13.9040 13.9040 14.2077 14.2077 k = 0.2042 0.2042 0.2042 ( 1962 PWs) bands (ev): -3.7649 -3.7649 -3.7546 -3.7546 -1.8188 -1.8188 -1.6035 -1.6035 -1.5895 -1.5895 -1.1535 -1.1535 3.5048 3.5048 6.6825 6.6825 7.1937 7.1937 10.2714 10.2714 12.8796 12.8796 13.9000 13.9000 14.0332 14.0332 k = 0.2113 0.2113 0.2113 ( 1962 PWs) bands (ev): -3.7655 -3.7655 -3.7544 -3.7544 -1.8085 -1.8085 -1.6054 -1.6054 -1.5865 -1.5865 -1.0833 -1.0833 3.4621 3.4621 6.6448 6.6448 7.1498 7.1498 10.1179 10.1179 12.8207 12.8207 13.8585 13.8585 13.9480 13.9480 k = 0.2183 0.2183 0.2183 ( 1962 PWs) bands (ev): -3.7662 -3.7662 -3.7543 -3.7543 -1.8002 -1.8002 -1.6072 -1.6072 -1.5835 -1.5835 -1.0089 -1.0089 3.4225 3.4225 6.6090 6.6090 7.1080 7.1080 9.9574 9.9574 12.7261 12.7261 13.6843 13.6843 14.0353 14.0353 k = 0.2254 0.2254 0.2254 ( 1965 PWs) bands (ev): -3.7669 -3.7669 -3.7541 -3.7541 -1.7935 -1.7935 -1.6090 -1.6090 -1.5806 -1.5806 -0.9311 -0.9311 3.3863 3.3863 6.5751 6.5751 7.0685 7.0685 9.7928 9.7928 12.6075 12.6075 13.5108 13.5108 14.1456 14.1456 k = 0.2324 0.2324 0.2324 ( 1971 PWs) bands (ev): -3.7675 -3.7675 -3.7540 -3.7540 -1.7882 -1.7882 -1.6106 -1.6106 -1.5776 -1.5776 -0.8503 -0.8503 3.3534 3.3534 6.5433 6.5433 7.0312 7.0312 9.6260 9.6260 12.4741 12.4741 13.3384 13.3384 14.2646 14.2646 k = 0.2394 0.2394 0.2394 ( 1971 PWs) bands (ev): -3.7681 -3.7681 -3.7539 -3.7539 -1.7838 -1.7838 -1.6120 -1.6120 -1.5746 -1.5746 -0.7671 -0.7671 3.3239 3.3239 6.5137 6.5137 6.9964 6.9964 9.4584 9.4584 12.3320 12.3320 13.1672 13.1672 14.3815 14.3815 k = 0.2465 0.2465 0.2465 ( 1959 PWs) bands (ev): -3.7687 -3.7687 -3.7538 -3.7538 -1.7804 -1.7804 -1.6131 -1.6131 -1.5716 -1.5716 -0.6819 -0.6819 3.2981 3.2981 6.4862 6.4862 6.9639 6.9639 9.2913 9.2913 12.1847 12.1847 12.9975 12.9975 14.4870 14.4870 k = 0.2535 0.2535 0.2535 ( 1968 PWs) bands (ev): -3.7693 -3.7693 -3.7537 -3.7537 -1.7776 -1.7776 -1.6140 -1.6140 -1.5686 -1.5686 -0.5951 -0.5951 3.2760 3.2760 6.4611 6.4611 6.9340 6.9340 9.1255 9.1255 12.0345 12.0345 12.8295 12.8295 14.5731 14.5731 k = 0.2606 0.2606 0.2606 ( 1968 PWs) bands (ev): -3.7698 -3.7698 -3.7537 -3.7537 -1.7755 -1.7755 -1.6144 -1.6144 -1.5656 -1.5656 -0.5073 -0.5073 3.2578 3.2578 6.4383 6.4383 6.9067 6.9067 8.9617 8.9617 11.8827 11.8827 12.6631 12.6631 14.6321 14.6321 k = 0.2676 0.2676 0.2676 ( 1968 PWs) bands (ev): -3.7702 -3.7702 -3.7537 -3.7537 -1.7739 -1.7739 -1.6145 -1.6145 -1.5627 -1.5627 -0.4186 -0.4186 3.2437 3.2437 6.4179 6.4179 6.8819 6.8819 8.8004 8.8004 11.7303 11.7303 12.4987 12.4987 14.6579 14.6579 k = 0.2746 0.2746 0.2746 ( 1965 PWs) bands (ev): -3.7706 -3.7706 -3.7538 -3.7538 -1.7727 -1.7727 -1.6141 -1.6141 -1.5598 -1.5598 -0.3297 -0.3297 3.2339 3.2339 6.4000 6.4000 6.8599 6.8599 8.6423 8.6423 11.5780 11.5780 12.3362 12.3362 14.6461 14.6461 k = 0.2817 0.2817 0.2817 ( 1968 PWs) bands (ev): -3.7709 -3.7709 -3.7538 -3.7538 -1.7719 -1.7719 -1.6134 -1.6134 -1.5570 -1.5570 -0.2409 -0.2409 3.2286 3.2286 6.3846 6.3846 6.8405 6.8405 8.4876 8.4876 11.4263 11.4263 12.1758 12.1758 14.5953 14.5953 k = 0.2887 0.2887 0.2887 ( 1968 PWs) bands (ev): -3.7712 -3.7712 -3.7540 -3.7540 -1.7714 -1.7714 -1.6122 -1.6122 -1.5542 -1.5542 -0.1527 -0.1527 3.2280 3.2280 6.3718 6.3718 6.8238 6.8238 8.3367 8.3367 11.2755 11.2755 12.0176 12.0176 14.5068 14.5068 k = 0.2958 0.2958 0.2958 ( 1968 PWs) bands (ev): -3.7714 -3.7714 -3.7541 -3.7541 -1.7713 -1.7713 -1.6105 -1.6105 -1.5514 -1.5514 -0.0655 -0.0655 3.2325 3.2325 6.3616 6.3616 6.8099 6.8099 8.1900 8.1900 11.1259 11.1259 11.8616 11.8616 14.3844 14.3844 k = 0.3028 0.3028 0.3028 ( 1962 PWs) bands (ev): -3.7716 -3.7716 -3.7542 -3.7542 -1.7713 -1.7713 -1.6085 -1.6085 -1.5487 -1.5487 0.0202 0.0202 3.2423 3.2423 6.3540 6.3540 6.7987 6.7987 8.0477 8.0477 10.9777 10.9777 11.7079 11.7079 14.2332 14.2332 k = 0.3099 0.3099 0.3099 ( 1962 PWs) bands (ev): -3.7716 -3.7716 -3.7544 -3.7544 -1.7716 -1.7716 -1.6060 -1.6060 -1.5461 -1.5461 0.1038 0.1038 3.2577 3.2577 6.3490 6.3490 6.7903 6.7903 7.9101 7.9101 10.8312 10.8312 11.5567 11.5567 14.0584 14.0584 k = 0.3169 0.3169 0.3169 ( 1962 PWs) bands (ev): -3.7716 -3.7716 -3.7546 -3.7546 -1.7720 -1.7720 -1.6031 -1.6031 -1.5435 -1.5435 0.1850 0.1850 3.2789 3.2789 6.3466 6.3466 6.7847 6.7847 7.7776 7.7776 10.6864 10.6864 11.4080 11.4080 13.8649 13.8649 k = 0.3239 0.3239 0.3239 ( 1956 PWs) bands (ev): -3.7715 -3.7715 -3.7548 -3.7548 -1.7725 -1.7725 -1.5999 -1.5999 -1.5410 -1.5410 0.2632 0.2632 3.3062 3.3062 6.3469 6.3469 6.7818 6.7818 7.6503 7.6503 10.5435 10.5435 11.2619 11.2619 13.6570 13.6570 k = 0.3310 0.3310 0.3310 ( 1956 PWs) bands (ev): -3.7713 -3.7713 -3.7551 -3.7551 -1.7732 -1.7732 -1.5964 -1.5964 -1.5386 -1.5386 0.3380 0.3380 3.3398 3.3398 6.3498 6.3498 6.7817 6.7817 7.5285 7.5285 10.4027 10.4027 11.1184 11.1184 13.4383 13.4383 k = 0.3380 0.3380 0.3380 ( 1956 PWs) bands (ev): -3.7711 -3.7711 -3.7554 -3.7554 -1.7739 -1.7739 -1.5925 -1.5925 -1.5363 -1.5363 0.4090 0.4090 3.3798 3.3798 6.3554 6.3554 6.7843 6.7843 7.4126 7.4126 10.2640 10.2640 10.9777 10.9777 13.2116 13.2116 k = 0.3451 0.3451 0.3451 ( 1956 PWs) bands (ev): -3.7708 -3.7708 -3.7557 -3.7557 -1.7747 -1.7747 -1.5884 -1.5884 -1.5341 -1.5341 0.4758 0.4758 3.4263 3.4263 6.3635 6.3635 6.7895 6.7895 7.3027 7.3027 10.1276 10.1276 10.8399 10.8399 12.9791 12.9791 k = 0.3521 0.3521 0.3521 ( 1962 PWs) bands (ev): -3.7705 -3.7705 -3.7560 -3.7560 -1.7755 -1.7755 -1.5840 -1.5840 -1.5319 -1.5319 0.5381 0.5381 3.4793 3.4793 6.3741 6.3741 6.7974 6.7974 7.1993 7.1993 9.9935 9.9935 10.7050 10.7050 12.7427 12.7427 k = 0.3592 0.3592 0.3592 ( 1968 PWs) bands (ev): -3.7701 -3.7701 -3.7563 -3.7563 -1.7762 -1.7762 -1.5795 -1.5795 -1.5299 -1.5299 0.5957 0.5957 3.5386 3.5386 6.3873 6.3873 6.8079 6.8079 7.1027 7.1027 9.8617 9.8617 10.5733 10.5733 12.5038 12.5038 k = 0.3662 0.3662 0.3662 ( 1968 PWs) bands (ev): -3.7696 -3.7696 -3.7566 -3.7566 -1.7770 -1.7770 -1.5748 -1.5748 -1.5279 -1.5279 0.6485 0.6485 3.6039 3.6039 6.4028 6.4028 6.8208 6.8208 7.0134 7.0134 9.7325 9.7325 10.4447 10.4447 12.2638 12.2638 k = 0.3732 0.3732 0.3732 ( 1968 PWs) bands (ev): -3.7691 -3.7691 -3.7570 -3.7570 -1.7777 -1.7777 -1.5700 -1.5700 -1.5261 -1.5261 0.6965 0.6965 3.6746 3.6746 6.4205 6.4205 6.8361 6.8361 6.9318 6.9318 9.6058 9.6058 10.3195 10.3195 12.0237 12.0237 k = 0.3803 0.3803 0.3803 ( 1968 PWs) bands (ev): -3.7686 -3.7686 -3.7573 -3.7573 -1.7784 -1.7784 -1.5651 -1.5651 -1.5243 -1.5243 0.7397 0.7397 3.7503 3.7503 6.4402 6.4402 6.8537 6.8537 6.8585 6.8585 9.4817 9.4817 10.1977 10.1977 11.7844 11.7844 k = 0.3873 0.3873 0.3873 ( 1968 PWs) bands (ev): -3.7680 -3.7680 -3.7577 -3.7577 -1.7791 -1.7791 -1.5601 -1.5601 -1.5226 -1.5226 0.7782 0.7782 3.8301 3.8301 6.4615 6.4615 6.7944 6.7944 6.8734 6.8734 9.3603 9.3603 10.0797 10.0797 11.5467 11.5467 k = 0.3944 0.3944 0.3944 ( 1965 PWs) bands (ev): -3.7674 -3.7674 -3.7580 -3.7580 -1.7796 -1.7796 -1.5552 -1.5552 -1.5211 -1.5211 0.8123 0.8123 3.9129 3.9129 6.4837 6.4837 6.7407 6.7407 6.8950 6.8950 9.2416 9.2416 9.9655 9.9655 11.3115 11.3115 k = 0.4014 0.4014 0.4014 ( 1953 PWs) bands (ev): -3.7668 -3.7668 -3.7583 -3.7583 -1.7802 -1.7802 -1.5503 -1.5503 -1.5196 -1.5196 0.8422 0.8422 3.9978 3.9978 6.5055 6.5055 6.6991 6.6991 6.9185 6.9185 9.1256 9.1256 9.8553 9.8553 11.0796 11.0796 k = 0.4085 0.4085 0.4085 ( 1953 PWs) bands (ev): -3.7661 -3.7661 -3.7587 -3.7587 -1.7806 -1.7806 -1.5456 -1.5456 -1.5182 -1.5182 0.8682 0.8682 4.0834 4.0834 6.5245 6.5245 6.6728 6.6728 6.9435 6.9435 9.0124 9.0124 9.7495 9.7495 10.8517 10.8517 k = 0.4155 0.4155 0.4155 ( 1950 PWs) bands (ev): -3.7655 -3.7655 -3.7590 -3.7590 -1.7810 -1.7810 -1.5409 -1.5409 -1.5170 -1.5170 0.8906 0.8906 4.1682 4.1682 6.5375 6.5375 6.6655 6.6655 6.9698 6.9698 8.9019 8.9019 9.6483 9.6483 10.6289 10.6289 k = 0.4225 0.4225 0.4225 ( 1944 PWs) bands (ev): -3.7649 -3.7649 -3.7593 -3.7593 -1.7814 -1.7814 -1.5365 -1.5365 -1.5158 -1.5158 0.9098 0.9098 4.2508 4.2508 6.5448 6.5448 6.6772 6.6772 6.9971 6.9971 8.7940 8.7940 9.5521 9.5521 10.4120 10.4120 k = 0.4296 0.4296 0.4296 ( 1944 PWs) bands (ev): -3.7643 -3.7643 -3.7596 -3.7596 -1.7817 -1.7817 -1.5323 -1.5323 -1.5148 -1.5148 0.9260 0.9260 4.3296 4.3296 6.5521 6.5521 6.7029 6.7029 7.0249 7.0249 8.6886 8.6886 9.4612 9.4612 10.2024 10.2024 k = 0.4366 0.4366 0.4366 ( 1944 PWs) bands (ev): -3.7638 -3.7638 -3.7599 -3.7599 -1.7819 -1.7819 -1.5283 -1.5283 -1.5138 -1.5138 0.9397 0.9397 4.4032 4.4032 6.5647 6.5647 6.7373 6.7373 7.0529 7.0529 8.5856 8.5856 9.3761 9.3761 10.0014 10.0014 k = 0.4437 0.4437 0.4437 ( 1944 PWs) bands (ev): -3.7633 -3.7633 -3.7601 -3.7601 -1.7821 -1.7821 -1.5246 -1.5246 -1.5130 -1.5130 0.9510 0.9510 4.4703 4.4703 6.5845 6.5845 6.7782 6.7782 7.0806 7.0806 8.4845 8.4845 9.2974 9.2974 9.8109 9.8109 k = 0.4507 0.4507 0.4507 ( 1944 PWs) bands (ev): -3.7628 -3.7628 -3.7603 -3.7603 -1.7823 -1.7823 -1.5213 -1.5213 -1.5123 -1.5123 0.9603 0.9603 4.5298 4.5298 6.6112 6.6112 6.8251 6.8251 7.1074 7.1074 8.3851 8.3851 9.2254 9.2254 9.6329 9.6329 k = 0.4577 0.4577 0.4577 ( 1944 PWs) bands (ev): -3.7624 -3.7624 -3.7605 -3.7605 -1.7824 -1.7824 -1.5184 -1.5184 -1.5116 -1.5116 0.9679 0.9679 4.5812 4.5812 6.6426 6.6426 6.8786 6.8786 7.1327 7.1327 8.2869 8.2869 9.1610 9.1610 9.4701 9.4701 k = 0.4648 0.4648 0.4648 ( 1944 PWs) bands (ev): -3.7620 -3.7620 -3.7607 -3.7607 -1.7825 -1.7825 -1.5158 -1.5158 -1.5111 -1.5111 0.9739 0.9739 4.6240 4.6240 6.6755 6.6755 6.9391 6.9391 7.1558 7.1558 8.1900 8.1900 9.1048 9.1048 9.3253 9.3253 k = 0.4718 0.4718 0.4718 ( 1944 PWs) bands (ev): -3.7617 -3.7617 -3.7608 -3.7608 -1.7826 -1.7826 -1.5137 -1.5137 -1.5106 -1.5106 0.9785 0.9785 4.6583 4.6583 6.7066 6.7066 7.0062 7.0062 7.1760 7.1760 8.0951 8.0951 9.0575 9.0575 9.2017 9.2017 k = 0.4789 0.4789 0.4789 ( 1944 PWs) bands (ev): -3.7615 -3.7615 -3.7610 -3.7610 -1.7826 -1.7826 -1.5120 -1.5120 -1.5103 -1.5103 0.9820 0.9820 4.6845 4.6845 6.7330 6.7330 7.0767 7.0767 7.1926 7.1926 8.0046 8.0046 9.0198 9.0198 9.1022 9.1022 k = 0.4859 0.4859 0.4859 ( 1944 PWs) bands (ev): -3.7613 -3.7613 -3.7610 -3.7610 -1.7827 -1.7827 -1.5108 -1.5108 -1.5100 -1.5100 0.9844 0.9844 4.7028 4.7028 6.7530 6.7530 7.1438 7.1438 7.2050 7.2050 7.9244 7.9244 8.9923 8.9923 9.0293 9.0293 k = 0.4930 0.4930 0.4930 ( 1932 PWs) bands (ev): -3.7611 -3.7611 -3.7610 -3.7610 -1.7827 -1.7827 -1.5100 -1.5100 -1.5098 -1.5098 0.9858 0.9858 4.7136 4.7136 6.7653 6.7653 7.1953 7.1953 7.2127 7.2127 7.8655 7.8655 8.9756 8.9756 8.9849 8.9849 k = 0.5000 0.5000 0.5000 ( 1904 PWs) bands (ev): -3.7610 -3.7610 -3.7610 -3.7610 -1.7826 -1.7826 -1.5097 -1.5097 -1.5097 -1.5097 0.9862 0.9862 4.7171 4.7171 6.7694 6.7694 7.2153 7.2153 7.2153 7.2153 7.8431 7.8431 8.9700 8.9700 8.9700 8.9700 k = 0.5000 0.5000 0.5000 ( 1904 PWs) bands (ev): -3.7610 -3.7610 -3.7610 -3.7610 -1.7826 -1.7826 -1.5097 -1.5097 -1.5097 -1.5097 0.9862 0.9862 4.7171 4.7171 6.7694 6.7694 7.2153 7.2153 7.2153 7.2153 7.8431 7.8431 8.9700 8.9700 8.9700 8.9700 k = 0.4914 0.5000 0.4914 ( 1932 PWs) bands (ev): -3.7611 -3.7611 -3.7610 -3.7610 -1.7827 -1.7827 -1.5100 -1.5100 -1.5098 -1.5098 0.9858 0.9858 4.7136 4.7136 6.7653 6.7653 7.1948 7.1948 7.2132 7.2132 7.8655 7.8655 8.9763 8.9763 8.9843 8.9843 k = 0.4828 0.5000 0.4828 ( 1946 PWs) bands (ev): -3.7613 -3.7613 -3.7610 -3.7610 -1.7827 -1.7827 -1.5107 -1.5107 -1.5101 -1.5101 0.9844 0.9844 4.7028 4.7028 6.7527 6.7527 7.1412 7.1412 7.2078 7.2078 7.9245 7.9245 8.9952 8.9952 9.0264 9.0264 k = 0.4741 0.5000 0.4741 ( 1946 PWs) bands (ev): -3.7615 -3.7615 -3.7609 -3.7609 -1.7827 -1.7827 -1.5119 -1.5119 -1.5104 -1.5104 0.9820 0.9820 4.6848 4.6848 6.7320 6.7320 7.0689 7.0689 7.2009 7.2009 8.0050 8.0050 9.0273 9.0273 9.0943 9.0943 k = 0.4655 0.5000 0.4655 ( 1946 PWs) bands (ev): -3.7617 -3.7617 -3.7608 -3.7608 -1.7826 -1.7826 -1.5135 -1.5135 -1.5108 -1.5108 0.9787 0.9787 4.6593 4.6593 6.7038 6.7038 6.9891 6.9891 7.1949 7.1949 8.0949 8.0949 9.0737 9.0737 9.1854 9.1854 k = 0.4569 0.5000 0.4569 ( 1946 PWs) bands (ev): -3.7621 -3.7621 -3.7607 -3.7607 -1.7826 -1.7826 -1.5155 -1.5155 -1.5113 -1.5113 0.9742 0.9742 4.6261 4.6261 6.6693 6.6693 6.9081 6.9081 7.1917 7.1917 8.1868 8.1868 9.1352 9.1352 9.2968 9.2968 k = 0.4483 0.5000 0.4483 ( 1946 PWs) bands (ev): -3.7625 -3.7625 -3.7605 -3.7605 -1.7825 -1.7825 -1.5179 -1.5179 -1.5120 -1.5120 0.9686 0.9686 4.5850 4.5850 6.6306 6.6306 6.8296 6.8296 7.1925 7.1925 8.2760 8.2760 9.2125 9.2125 9.4257 9.4257 k = 0.4397 0.5000 0.4397 ( 1950 PWs) bands (ev): -3.7630 -3.7630 -3.7602 -3.7602 -1.7824 -1.7824 -1.5207 -1.5207 -1.5128 -1.5128 0.9616 0.9616 4.5361 4.5361 6.5899 6.5899 6.7557 6.7557 7.1978 7.1978 8.3604 8.3604 9.3057 9.3057 9.5696 9.5696 k = 0.4310 0.5000 0.4310 ( 1950 PWs) bands (ev): -3.7635 -3.7635 -3.7600 -3.7600 -1.7824 -1.7824 -1.5237 -1.5237 -1.5137 -1.5137 0.9532 0.9532 4.4793 4.4793 6.5489 6.5489 6.6882 6.6882 7.2075 7.2075 8.4390 8.4390 9.4140 9.4140 9.7265 9.7265 k = 0.4224 0.5000 0.4224 ( 1950 PWs) bands (ev): -3.7640 -3.7640 -3.7597 -3.7597 -1.7823 -1.7823 -1.5271 -1.5271 -1.5147 -1.5147 0.9432 0.9432 4.4149 4.4149 6.5086 6.5086 6.6288 6.6288 7.2214 7.2214 8.5124 8.5124 9.5361 9.5361 9.8945 9.8945 k = 0.4138 0.5000 0.4138 ( 1950 PWs) bands (ev): -3.7647 -3.7647 -3.7594 -3.7594 -1.7822 -1.7822 -1.5307 -1.5307 -1.5158 -1.5158 0.9315 0.9315 4.3435 4.3435 6.4686 6.4686 6.5799 6.5799 7.2392 7.2392 8.5815 8.5815 9.6702 9.6702 10.0722 10.0722 k = 0.4052 0.5000 0.4052 ( 1950 PWs) bands (ev): -3.7653 -3.7653 -3.7591 -3.7591 -1.7821 -1.7821 -1.5346 -1.5346 -1.5171 -1.5171 0.9180 0.9180 4.2655 4.2655 6.4285 6.4285 6.5433 6.5433 7.2606 7.2606 8.6477 8.6477 9.8145 9.8145 10.2584 10.2584 k = 0.3966 0.5000 0.3966 ( 1956 PWs) bands (ev): -3.7660 -3.7660 -3.7588 -3.7588 -1.7821 -1.7821 -1.5385 -1.5385 -1.5184 -1.5184 0.9025 0.9025 4.1817 4.1817 6.3886 6.3886 6.5194 6.5194 7.2853 7.2853 8.7122 8.7122 9.9673 9.9673 10.4521 10.4521 k = 0.3879 0.5000 0.3879 ( 1960 PWs) bands (ev): -3.7667 -3.7667 -3.7585 -3.7585 -1.7820 -1.7820 -1.5426 -1.5426 -1.5199 -1.5199 0.8849 0.8849 4.0930 4.0930 6.3508 6.3508 6.5068 6.5068 7.3132 7.3132 8.7760 8.7760 10.1272 10.1272 10.6524 10.6524 k = 0.3793 0.5000 0.3793 ( 1960 PWs) bands (ev): -3.7674 -3.7674 -3.7581 -3.7581 -1.7820 -1.7820 -1.5467 -1.5467 -1.5214 -1.5214 0.8650 0.8650 4.0002 4.0002 6.3168 6.3168 6.5041 6.5041 7.3442 7.3442 8.8400 8.8400 10.2929 10.2929 10.8586 10.8586 k = 0.3707 0.5000 0.3707 ( 1960 PWs) bands (ev): -3.7681 -3.7681 -3.7578 -3.7578 -1.7820 -1.7820 -1.5509 -1.5509 -1.5230 -1.5230 0.8428 0.8428 3.9042 3.9042 6.2878 6.2878 6.5099 6.5099 7.3780 7.3780 8.9049 8.9049 10.4635 10.4635 11.0700 11.0700 k = 0.3621 0.5000 0.3621 ( 1964 PWs) bands (ev): -3.7688 -3.7688 -3.7575 -3.7575 -1.7820 -1.7820 -1.5550 -1.5550 -1.5248 -1.5248 0.8182 0.8182 3.8056 3.8056 6.2647 6.2647 6.5234 6.5234 7.4147 7.4147 8.9711 8.9711 10.6380 10.6380 11.2862 11.2862 k = 0.3534 0.5000 0.3534 ( 1964 PWs) bands (ev): -3.7695 -3.7695 -3.7572 -3.7572 -1.7820 -1.7820 -1.5590 -1.5590 -1.5266 -1.5266 0.7912 0.7912 3.7053 3.7053 6.2479 6.2479 6.5439 6.5439 7.4541 7.4541 9.0391 9.0391 10.8159 10.8159 11.5066 11.5066 k = 0.3448 0.5000 0.3448 ( 1972 PWs) bands (ev): -3.7702 -3.7702 -3.7569 -3.7569 -1.7821 -1.7821 -1.5629 -1.5629 -1.5286 -1.5286 0.7616 0.7616 3.6040 3.6040 6.2378 6.2378 6.5707 6.5707 7.4962 7.4962 9.1090 9.1090 10.9964 10.9964 11.7308 11.7308 k = 0.3362 0.5000 0.3362 ( 1972 PWs) bands (ev): -3.7708 -3.7708 -3.7566 -3.7566 -1.7822 -1.7822 -1.5666 -1.5666 -1.5306 -1.5306 0.7296 0.7296 3.5021 3.5021 6.2346 6.2346 6.6035 6.6035 7.5409 7.5409 9.1811 9.1811 11.1788 11.1788 11.9582 11.9582 k = 0.3276 0.5000 0.3276 ( 1972 PWs) bands (ev): -3.7714 -3.7714 -3.7564 -3.7564 -1.7822 -1.7822 -1.5701 -1.5701 -1.5327 -1.5327 0.6951 0.6951 3.4003 3.4003 6.2383 6.2383 6.6418 6.6418 7.5882 7.5882 9.2555 9.2555 11.3625 11.3625 12.1886 12.1886 k = 0.3190 0.5000 0.3190 ( 1976 PWs) bands (ev): -3.7719 -3.7719 -3.7561 -3.7561 -1.7824 -1.7824 -1.5734 -1.5734 -1.5349 -1.5349 0.6582 0.6582 3.2990 3.2990 6.2491 6.2491 6.6854 6.6854 7.6380 7.6380 9.3322 9.3322 11.5468 11.5468 12.4213 12.4213 k = 0.3103 0.5000 0.3103 ( 1976 PWs) bands (ev): -3.7724 -3.7724 -3.7559 -3.7559 -1.7824 -1.7824 -1.5764 -1.5764 -1.5372 -1.5372 0.6191 0.6191 3.1985 3.1985 6.2669 6.2669 6.7339 6.7339 7.6902 7.6902 9.4114 9.4114 11.7311 11.7311 12.6560 12.6560 k = 0.3017 0.5000 0.3017 ( 1972 PWs) bands (ev): -3.7728 -3.7728 -3.7557 -3.7557 -1.7825 -1.7825 -1.5791 -1.5791 -1.5395 -1.5395 0.5776 0.5776 3.0993 3.0993 6.2916 6.2916 6.7872 6.7872 7.7450 7.7450 9.4930 9.4930 11.9146 11.9146 12.8921 12.8921 k = 0.2931 0.5000 0.2931 ( 1972 PWs) bands (ev): -3.7731 -3.7731 -3.7556 -3.7556 -1.7826 -1.7826 -1.5815 -1.5815 -1.5420 -1.5420 0.5342 0.5342 3.0015 3.0015 6.3233 6.3233 6.8449 6.8449 7.8021 7.8021 9.5771 9.5771 12.0963 12.0963 13.1290 13.1290 k = 0.2845 0.5000 0.2845 ( 1976 PWs) bands (ev): -3.7734 -3.7734 -3.7555 -3.7555 -1.7825 -1.7825 -1.5836 -1.5836 -1.5445 -1.5445 0.4887 0.4887 2.9056 2.9056 6.3617 6.3617 6.9070 6.9070 7.8617 7.8617 9.6635 9.6635 12.2753 12.2753 13.3660 13.3660 k = 0.2759 0.5000 0.2759 ( 1984 PWs) bands (ev): -3.7735 -3.7735 -3.7554 -3.7554 -1.7824 -1.7824 -1.5854 -1.5854 -1.5471 -1.5471 0.4415 0.4415 2.8116 2.8116 6.4067 6.4067 6.9733 6.9733 7.9236 7.9236 9.7523 9.7523 12.4503 12.4503 13.6021 13.6021 k = 0.2672 0.5000 0.2672 ( 1984 PWs) bands (ev): -3.7736 -3.7736 -3.7553 -3.7553 -1.7822 -1.7822 -1.5868 -1.5868 -1.5498 -1.5498 0.3927 0.3927 2.7198 2.7198 6.4581 6.4581 7.0436 7.0436 7.9877 7.9877 9.8433 9.8433 12.6200 12.6200 13.8363 13.8363 k = 0.2586 0.5000 0.2586 ( 1976 PWs) bands (ev): -3.7736 -3.7736 -3.7553 -3.7553 -1.7818 -1.7818 -1.5879 -1.5879 -1.5525 -1.5525 0.3425 0.3425 2.6303 2.6303 6.5158 6.5158 7.1178 7.1178 8.0541 8.0541 9.9366 9.9366 12.7827 12.7827 14.0671 14.0671 k = 0.2500 0.5000 0.2500 ( 1976 PWs) bands (ev): -3.7735 -3.7735 -3.7552 -3.7552 -1.7812 -1.7812 -1.5888 -1.5888 -1.5553 -1.5553 0.2910 0.2910 2.5433 2.5433 6.5796 6.5796 7.1959 7.1959 8.1227 8.1227 10.0320 10.0320 12.9366 12.9366 14.2927 14.2927 k = 0.2414 0.5000 0.2414 ( 1976 PWs) bands (ev): -3.7732 -3.7732 -3.7553 -3.7553 -1.7804 -1.7804 -1.5893 -1.5893 -1.5582 -1.5582 0.2385 0.2385 2.4588 2.4588 6.6492 6.6492 7.2778 7.2778 8.1935 8.1935 10.1293 10.1293 13.0794 13.0794 14.5106 14.5106 k = 0.2328 0.5000 0.2328 ( 1980 PWs) bands (ev): -3.7730 -3.7730 -3.7553 -3.7553 -1.7793 -1.7793 -1.5895 -1.5895 -1.5611 -1.5611 0.1851 0.1851 2.3771 2.3771 6.7246 6.7246 7.3632 7.3632 8.2663 8.2663 10.2286 10.2286 13.2086 13.2086 14.7176 14.7176 k = 0.2241 0.5000 0.2241 ( 1972 PWs) bands (ev): -3.7726 -3.7726 -3.7553 -3.7553 -1.7778 -1.7778 -1.5895 -1.5895 -1.5640 -1.5640 0.1310 0.1310 2.2981 2.2981 6.8054 6.8054 7.4522 7.4522 8.3411 8.3411 10.3295 10.3295 13.3217 13.3217 14.9094 14.9094 k = 0.2155 0.5000 0.2155 ( 1980 PWs) bands (ev): -3.7721 -3.7721 -3.7554 -3.7554 -1.7761 -1.7761 -1.5893 -1.5893 -1.5670 -1.5670 0.0765 0.0765 2.2220 2.2220 6.8915 6.8915 7.5446 7.5446 8.4179 8.4179 10.4320 10.4320 13.4159 13.4159 15.0805 15.0805 k = 0.2069 0.5000 0.2069 ( 1978 PWs) bands (ev): -3.7716 -3.7716 -3.7554 -3.7554 -1.7739 -1.7739 -1.5889 -1.5889 -1.5699 -1.5699 0.0217 0.0217 2.1487 2.1487 6.9826 6.9826 7.6403 7.6403 8.4965 8.4965 10.5358 10.5358 13.4887 13.4887 15.2242 15.2242 k = 0.1983 0.5000 0.1983 ( 1978 PWs) bands (ev): -3.7711 -3.7711 -3.7554 -3.7554 -1.7713 -1.7713 -1.5882 -1.5882 -1.5729 -1.5729 -0.0332 -0.0332 2.0785 2.0785 7.0786 7.0786 7.7393 7.7393 8.5769 8.5769 10.6407 10.6407 13.5378 13.5378 15.3331 15.3331 k = 0.1897 0.5000 0.1897 ( 1978 PWs) bands (ev): -3.7705 -3.7705 -3.7554 -3.7554 -1.7682 -1.7682 -1.5874 -1.5874 -1.5759 -1.5759 -0.0880 -0.0880 2.0112 2.0112 7.1792 7.1792 7.8413 7.8413 8.6589 8.6589 10.7465 10.7465 13.5619 13.5619 15.4006 15.4006 k = 0.1810 0.5000 0.1810 ( 1974 PWs) bands (ev): -3.7699 -3.7699 -3.7553 -3.7553 -1.7647 -1.7647 -1.5865 -1.5865 -1.5788 -1.5788 -0.1426 -0.1426 1.9469 1.9469 7.2842 7.2842 7.9464 7.9464 8.7424 8.7424 10.8527 10.8527 13.5607 13.5607 15.4226 15.4226 k = 0.1724 0.5000 0.1724 ( 1974 PWs) bands (ev): -3.7693 -3.7693 -3.7552 -3.7552 -1.7606 -1.7606 -1.5855 -1.5855 -1.5816 -1.5816 -0.1968 -0.1968 1.8857 1.8857 7.3935 7.3935 8.0543 8.0543 8.8274 8.8274 10.9591 10.9591 13.5346 13.5346 15.3995 15.3995 k = 0.1638 0.5000 0.1638 ( 1974 PWs) bands (ev): -3.7687 -3.7687 -3.7550 -3.7550 -1.7560 -1.7560 -1.5854 -1.5854 -1.5834 -1.5834 -0.2503 -0.2503 1.8275 1.8275 7.5068 7.5068 8.1648 8.1648 8.9136 8.9136 11.0650 11.0650 13.4854 13.4854 15.3358 15.3358 k = 0.1552 0.5000 0.1552 ( 1974 PWs) bands (ev): -3.7682 -3.7682 -3.7547 -3.7547 -1.7509 -1.7509 -1.5878 -1.5878 -1.5826 -1.5826 -0.3031 -0.3031 1.7724 1.7724 7.6239 7.6239 8.2778 8.2778 9.0009 9.0009 11.1699 11.1699 13.4156 13.4156 15.2385 15.2385 k = 0.1466 0.5000 0.1466 ( 1974 PWs) bands (ev): -3.7678 -3.7678 -3.7543 -3.7543 -1.7452 -1.7452 -1.5904 -1.5904 -1.5813 -1.5813 -0.3549 -0.3549 1.7204 1.7204 7.7445 7.7445 8.3930 8.3930 9.0892 9.0892 11.2730 11.2730 13.3281 13.3281 15.1156 15.1156 k = 0.1379 0.5000 0.1379 ( 1974 PWs) bands (ev): -3.7675 -3.7675 -3.7538 -3.7538 -1.7390 -1.7390 -1.5929 -1.5929 -1.5798 -1.5798 -0.4057 -0.4057 1.6714 1.6714 7.8685 7.8685 8.5102 8.5102 9.1782 9.1782 11.3732 11.3732 13.2263 13.2263 14.9741 14.9741 k = 0.1293 0.5000 0.1293 ( 1974 PWs) bands (ev): -3.7672 -3.7672 -3.7532 -3.7532 -1.7324 -1.7324 -1.5953 -1.5953 -1.5783 -1.5783 -0.4552 -0.4552 1.6256 1.6256 7.9955 7.9955 8.6290 8.6290 9.2678 9.2678 11.4690 11.4690 13.1139 13.1139 14.8199 14.8199 k = 0.1207 0.5000 0.1207 ( 1974 PWs) bands (ev): -3.7671 -3.7671 -3.7524 -3.7524 -1.7254 -1.7254 -1.5975 -1.5975 -1.5767 -1.5767 -0.5032 -0.5032 1.5827 1.5827 8.1252 8.1252 8.7491 8.7491 9.3578 9.3578 11.5582 11.5582 12.9947 12.9947 14.6579 14.6579 k = 0.1121 0.5000 0.1121 ( 1978 PWs) bands (ev): -3.7670 -3.7670 -3.7516 -3.7516 -1.7180 -1.7180 -1.5995 -1.5995 -1.5751 -1.5751 -0.5496 -0.5496 1.5430 1.5430 8.2574 8.2574 8.8700 8.8700 9.4479 9.4479 11.6376 11.6376 12.8736 12.8736 14.4918 14.4918 k = 0.1034 0.5000 0.1034 ( 1974 PWs) bands (ev): -3.7670 -3.7670 -3.7508 -3.7508 -1.7104 -1.7104 -1.6012 -1.6012 -1.5733 -1.5733 -0.5942 -0.5942 1.5062 1.5062 8.3914 8.3914 8.9912 8.9912 9.5380 9.5380 11.7021 11.7021 12.7564 12.7564 14.3249 14.3249 k = 0.0948 0.5000 0.0948 ( 1976 PWs) bands (ev): -3.7670 -3.7670 -3.7499 -3.7499 -1.7028 -1.7028 -1.6026 -1.6026 -1.5715 -1.5715 -0.6368 -0.6368 1.4725 1.4725 8.5269 8.5269 9.1121 9.1121 9.6277 9.6277 11.7439 11.7439 12.6515 12.6515 14.1600 14.1600 k = 0.0862 0.5000 0.0862 ( 1976 PWs) bands (ev): -3.7671 -3.7671 -3.7490 -3.7490 -1.6953 -1.6953 -1.6037 -1.6037 -1.5696 -1.5696 -0.6772 -0.6772 1.4418 1.4418 8.6629 8.6629 9.2321 9.2321 9.7170 9.7170 11.7526 11.7526 12.5691 12.5691 14.0001 14.0001 k = 0.0776 0.5000 0.0776 ( 1974 PWs) bands (ev): -3.7672 -3.7672 -3.7482 -3.7482 -1.6880 -1.6880 -1.6042 -1.6042 -1.5676 -1.5676 -0.7151 -0.7151 1.4141 1.4141 8.7986 8.7986 9.3507 9.3507 9.8054 9.8054 11.7197 11.7197 12.5171 12.5171 13.8480 13.8480 k = 0.0690 0.5000 0.0690 ( 1978 PWs) bands (ev): -3.7674 -3.7674 -3.7474 -3.7474 -1.6813 -1.6813 -1.6044 -1.6044 -1.5654 -1.5654 -0.7503 -0.7503 1.3893 1.3893 8.9324 8.9324 9.4675 9.4675 9.8926 9.8926 11.6449 11.6449 12.4946 12.4946 13.7071 13.7071 k = 0.0603 0.5000 0.0603 ( 1978 PWs) bands (ev): -3.7675 -3.7675 -3.7466 -3.7466 -1.6752 -1.6752 -1.6040 -1.6040 -1.5631 -1.5631 -0.7825 -0.7825 1.3676 1.3676 9.0624 9.0624 9.5824 9.5824 9.9780 9.9780 11.5376 11.5376 12.4905 12.4905 13.5810 13.5810 k = 0.0517 0.5000 0.0517 ( 1978 PWs) bands (ev): -3.7676 -3.7676 -3.7459 -3.7459 -1.6701 -1.6701 -1.6033 -1.6033 -1.5607 -1.5607 -0.8113 -0.8113 1.3487 1.3487 9.1857 9.1857 9.6962 9.6962 10.0604 10.0604 11.4091 11.4091 12.4916 12.4916 13.4737 13.4737 k = 0.0431 0.5000 0.0431 ( 1982 PWs) bands (ev): -3.7678 -3.7678 -3.7453 -3.7453 -1.6659 -1.6659 -1.6023 -1.6023 -1.5582 -1.5582 -0.8365 -0.8365 1.3328 1.3328 9.2986 9.2986 9.8103 9.8103 10.1383 10.1383 11.2683 11.2683 12.4882 12.4882 13.3886 13.3886 k = 0.0345 0.5000 0.0345 ( 1982 PWs) bands (ev): -3.7679 -3.7679 -3.7448 -3.7448 -1.6626 -1.6626 -1.6011 -1.6011 -1.5558 -1.5558 -0.8578 -0.8578 1.3198 1.3198 9.3968 9.3968 9.9266 9.9266 10.2093 10.2093 11.1213 11.1213 12.4762 12.4762 13.3268 13.3268 k = 0.0259 0.5000 0.0259 ( 1976 PWs) bands (ev): -3.7679 -3.7679 -3.7444 -3.7444 -1.6603 -1.6603 -1.5999 -1.5999 -1.5535 -1.5535 -0.8747 -0.8747 1.3097 1.3097 9.4764 9.4764 10.0466 10.0466 10.2704 10.2704 10.9729 10.9729 12.4568 12.4568 13.2864 13.2864 k = 0.0172 0.5000 0.0172 ( 1984 PWs) bands (ev): -3.7680 -3.7680 -3.7441 -3.7441 -1.6587 -1.6587 -1.5990 -1.5990 -1.5517 -1.5517 -0.8871 -0.8871 1.3024 1.3024 9.5343 9.5343 10.1684 10.1684 10.3185 10.3185 10.8283 10.8283 12.4356 12.4356 13.2631 13.2631 k = 0.0086 0.5000 0.0086 ( 1984 PWs) bands (ev): -3.7680 -3.7680 -3.7439 -3.7439 -1.6578 -1.6578 -1.5984 -1.5984 -1.5506 -1.5506 -0.8946 -0.8946 1.2981 1.2981 9.5694 9.5694 10.2795 10.2795 10.3526 10.3526 10.6995 10.6995 12.4194 12.4194 13.2516 13.2516 k = 0.0000 0.5000-0.0000 ( 1984 PWs) bands (ev): -3.7681 -3.7681 -3.7439 -3.7439 -1.6575 -1.6575 -1.5982 -1.5982 -1.5502 -1.5502 -0.8971 -0.8971 1.2967 1.2967 9.5810 9.5810 10.3284 10.3284 10.3751 10.3751 10.6339 10.6339 12.4133 12.4133 13.2482 13.2482 k = 0.5000 0.5000-0.0000 ( 2000 PWs) bands (ev): -3.7994 -3.7994 -3.7543 -3.7543 -1.8570 -1.8570 -1.6084 -1.6084 -1.4858 -1.4858 0.7573 0.7573 3.4046 3.4046 4.6011 4.6011 4.6596 4.6596 10.3921 10.3921 13.5631 13.5631 14.6525 14.6525 15.1193 15.1193 k = 0.5000 0.5000 0.0122 ( 2000 PWs) bands (ev): -3.7994 -3.7994 -3.7543 -3.7543 -1.8568 -1.8568 -1.6083 -1.6083 -1.4860 -1.4860 0.7576 0.7576 3.4058 3.4058 4.6030 4.6030 4.6616 4.6616 10.3837 10.3837 13.5487 13.5487 14.6350 14.6350 15.0953 15.0953 k = 0.5000 0.5000 0.0244 ( 1988 PWs) bands (ev): -3.7992 -3.7992 -3.7542 -3.7542 -1.8562 -1.8562 -1.6079 -1.6079 -1.4864 -1.4864 0.7583 0.7583 3.4093 3.4093 4.6089 4.6089 4.6675 4.6675 10.3589 10.3589 13.5059 13.5059 14.5839 14.5839 15.0260 15.0260 k = 0.5000 0.5000 0.0366 ( 1988 PWs) bands (ev): -3.7988 -3.7988 -3.7542 -3.7542 -1.8553 -1.8553 -1.6074 -1.6074 -1.4872 -1.4872 0.7596 0.7596 3.4153 3.4153 4.6188 4.6188 4.6773 4.6773 10.3182 10.3182 13.4368 13.4368 14.5026 14.5026 14.9180 14.9180 k = 0.5000 0.5000 0.0488 ( 1980 PWs) bands (ev): -3.7984 -3.7984 -3.7541 -3.7541 -1.8540 -1.8540 -1.6065 -1.6065 -1.4882 -1.4882 0.7613 0.7613 3.4236 3.4236 4.6325 4.6325 4.6910 4.6910 10.2627 10.2627 13.3441 13.3441 14.3957 14.3957 14.7796 14.7796 k = 0.5000 0.5000 0.0610 ( 1980 PWs) bands (ev): -3.7978 -3.7978 -3.7541 -3.7541 -1.8524 -1.8524 -1.6055 -1.6055 -1.4896 -1.4896 0.7635 0.7635 3.4343 3.4343 4.6501 4.6501 4.7086 4.7086 10.1937 10.1937 13.2310 13.2310 14.2682 14.2682 14.6185 14.6185 k = 0.5000 0.5000 0.0732 ( 1992 PWs) bands (ev): -3.7971 -3.7971 -3.7541 -3.7541 -1.8505 -1.8505 -1.6043 -1.6043 -1.4912 -1.4912 0.7662 0.7662 3.4474 3.4474 4.6717 4.6717 4.7301 4.7301 10.1128 10.1128 13.1009 13.1009 14.1245 14.1245 14.4411 14.4411 k = 0.5000 0.5000 0.0854 ( 1992 PWs) bands (ev): -3.7963 -3.7963 -3.7540 -3.7540 -1.8482 -1.8482 -1.6028 -1.6028 -1.4931 -1.4931 0.7694 0.7694 3.4628 3.4628 4.6971 4.6971 4.7554 4.7554 10.0214 10.0214 12.9567 12.9567 13.9684 13.9684 14.2524 14.2524 k = 0.5000 0.5000 0.0976 ( 2000 PWs) bands (ev): -3.7954 -3.7954 -3.7540 -3.7540 -1.8456 -1.8456 -1.6011 -1.6011 -1.4952 -1.4952 0.7730 0.7730 3.4806 3.4806 4.7263 4.7263 4.7844 4.7844 9.9212 9.9212 12.8012 12.8012 13.8030 13.8030 14.0560 14.0560 k = 0.5000 0.5000 0.1098 ( 2000 PWs) bands (ev): -3.7943 -3.7943 -3.7539 -3.7539 -1.8428 -1.8428 -1.5992 -1.5992 -1.4974 -1.4974 0.7771 0.7771 3.5007 3.5007 4.7593 4.7593 4.8172 4.8172 9.8137 9.8137 12.6369 12.6369 13.6306 13.6306 13.8544 13.8544 k = 0.5000 0.5000 0.1220 ( 2000 PWs) bands (ev): -3.7932 -3.7932 -3.7539 -3.7539 -1.8397 -1.8397 -1.5971 -1.5971 -1.4998 -1.4998 0.7817 0.7817 3.5232 3.5232 4.7961 4.7961 4.8537 4.8537 9.7003 9.7003 12.4656 12.4656 13.4532 13.4532 13.6498 13.6498 k = 0.5000 0.5000 0.1341 ( 2000 PWs) bands (ev): -3.7920 -3.7920 -3.7538 -3.7538 -1.8365 -1.8365 -1.5947 -1.5947 -1.5023 -1.5023 0.7867 0.7867 3.5480 3.5480 4.8366 4.8366 4.8939 4.8939 9.5823 9.5823 12.2890 12.2890 13.2723 13.2723 13.4435 13.4435 k = 0.5000 0.5000 0.1463 ( 2000 PWs) bands (ev): -3.7908 -3.7908 -3.7538 -3.7538 -1.8330 -1.8330 -1.5921 -1.5921 -1.5048 -1.5048 0.7922 0.7922 3.5751 3.5751 4.8809 4.8809 4.9376 4.9376 9.4608 9.4608 12.1085 12.1085 13.0890 13.0890 13.2365 13.2365 k = 0.5000 0.5000 0.1585 ( 2008 PWs) bands (ev): -3.7895 -3.7895 -3.7538 -3.7538 -1.8294 -1.8294 -1.5894 -1.5894 -1.5074 -1.5074 0.7981 0.7981 3.6045 3.6045 4.9288 4.9288 4.9848 4.9848 9.3370 9.3370 11.9253 11.9253 12.9042 12.9042 13.0298 13.0298 k = 0.5000 0.5000 0.1707 ( 2008 PWs) bands (ev): -3.7881 -3.7881 -3.7539 -3.7539 -1.8258 -1.8258 -1.5865 -1.5865 -1.5099 -1.5099 0.8045 0.8045 3.6361 3.6361 4.9803 4.9803 5.0354 5.0354 9.2118 9.2118 11.7403 11.7403 12.7187 12.7187 12.8239 12.8239 k = 0.5000 0.5000 0.1829 ( 2000 PWs) bands (ev): -3.7867 -3.7867 -3.7539 -3.7539 -1.8220 -1.8220 -1.5834 -1.5834 -1.5124 -1.5124 0.8112 0.8112 3.6700 3.6700 5.0354 5.0354 5.0894 5.0894 9.0860 9.0860 11.5544 11.5544 12.5331 12.5331 12.6194 12.6194 k = 0.5000 0.5000 0.1951 ( 1992 PWs) bands (ev): -3.7852 -3.7852 -3.7540 -3.7540 -1.8183 -1.8183 -1.5801 -1.5801 -1.5147 -1.5147 0.8183 0.8183 3.7060 3.7060 5.0939 5.0939 5.1467 5.1467 8.9603 8.9603 11.3683 11.3683 12.3479 12.3479 12.4166 12.4166 k = 0.5000 0.5000 0.2073 ( 2000 PWs) bands (ev): -3.7837 -3.7837 -3.7541 -3.7541 -1.8146 -1.8146 -1.5767 -1.5767 -1.5169 -1.5169 0.8258 0.8258 3.7441 3.7441 5.1560 5.1560 5.2071 5.2071 8.8355 8.8355 11.1826 11.1826 12.1634 12.1634 12.2159 12.2159 k = 0.5000 0.5000 0.2195 ( 2000 PWs) bands (ev): -3.7822 -3.7822 -3.7543 -3.7543 -1.8110 -1.8110 -1.5732 -1.5732 -1.5189 -1.5189 0.8336 0.8336 3.7842 3.7842 5.2214 5.2214 5.2706 5.2706 8.7122 8.7122 10.9977 10.9977 11.9800 11.9800 12.0176 12.0176 k = 0.5000 0.5000 0.2317 ( 1992 PWs) bands (ev): -3.7807 -3.7807 -3.7545 -3.7545 -1.8075 -1.8075 -1.5695 -1.5695 -1.5207 -1.5207 0.8417 0.8417 3.8263 3.8263 5.2902 5.2902 5.3371 5.3371 8.5908 8.5908 10.8143 10.8143 11.7981 11.7981 11.8218 11.8218 k = 0.5000 0.5000 0.2439 ( 1992 PWs) bands (ev): -3.7793 -3.7793 -3.7547 -3.7547 -1.8041 -1.8041 -1.5658 -1.5658 -1.5222 -1.5222 0.8500 0.8500 3.8703 3.8703 5.3622 5.3622 5.4064 5.4064 8.4720 8.4720 10.6327 10.6327 11.6179 11.6179 11.6289 11.6289 k = 0.5000 0.5000 0.2561 ( 1996 PWs) bands (ev): -3.7778 -3.7778 -3.7550 -3.7550 -1.8010 -1.8010 -1.5620 -1.5620 -1.5234 -1.5234 0.8586 0.8586 3.9160 3.9160 5.4375 5.4375 5.4783 5.4783 8.3560 8.3560 10.4533 10.4533 11.4390 11.4390 11.4397 11.4397 k = 0.5000 0.5000 0.2683 ( 1980 PWs) bands (ev): -3.7763 -3.7763 -3.7553 -3.7553 -1.7981 -1.7981 -1.5581 -1.5581 -1.5242 -1.5242 0.8674 0.8674 3.9633 3.9633 5.5158 5.5158 5.5528 5.5528 8.2435 8.2435 10.2765 10.2765 11.2524 11.2524 11.2637 11.2637 k = 0.5000 0.5000 0.2805 ( 1980 PWs) bands (ev): -3.7749 -3.7749 -3.7556 -3.7556 -1.7954 -1.7954 -1.5543 -1.5543 -1.5248 -1.5248 0.8762 0.8762 4.0120 4.0120 5.5972 5.5972 5.6296 5.6296 8.1347 8.1347 10.1026 10.1026 11.0693 11.0693 11.0901 11.0901 k = 0.5000 0.5000 0.2927 ( 1980 PWs) bands (ev): -3.7736 -3.7736 -3.7560 -3.7560 -1.7930 -1.7930 -1.5504 -1.5504 -1.5251 -1.5251 0.8852 0.8852 4.0619 4.0619 5.6816 5.6816 5.7086 5.7086 8.0300 8.0300 9.9319 9.9319 10.8898 10.8898 10.9193 10.9193 k = 0.5000 0.5000 0.3049 ( 1980 PWs) bands (ev): -3.7723 -3.7723 -3.7564 -3.7564 -1.7909 -1.7909 -1.5466 -1.5466 -1.5250 -1.5250 0.8942 0.8942 4.1129 4.1129 5.7687 5.7687 5.7894 5.7894 7.9298 7.9298 9.7647 9.7647 10.7144 10.7144 10.7514 10.7514 k = 0.5000 0.5000 0.3171 ( 1964 PWs) bands (ev): -3.7710 -3.7710 -3.7568 -3.7568 -1.7891 -1.7891 -1.5428 -1.5428 -1.5246 -1.5246 0.9031 0.9031 4.1646 4.1646 5.8587 5.8587 5.8718 5.8718 7.8345 7.8345 9.6013 9.6013 10.5432 10.5432 10.5867 10.5867 k = 0.5000 0.5000 0.3293 ( 1964 PWs) bands (ev): -3.7698 -3.7698 -3.7572 -3.7572 -1.7875 -1.7875 -1.5391 -1.5391 -1.5240 -1.5240 0.9119 0.9119 4.2168 4.2168 5.9512 5.9512 5.9555 5.9555 7.7444 7.7444 9.4419 9.4419 10.3767 10.3767 10.4256 10.4256 k = 0.5000 0.5000 0.3415 ( 1956 PWs) bands (ev): -3.7686 -3.7686 -3.7576 -3.7576 -1.7862 -1.7862 -1.5355 -1.5355 -1.5231 -1.5231 0.9206 0.9206 4.2691 4.2691 6.0400 6.0400 6.0462 6.0462 7.6598 7.6598 9.2868 9.2868 10.2153 10.2153 10.2683 10.2683 k = 0.5000 0.5000 0.3537 ( 1956 PWs) bands (ev): -3.7676 -3.7676 -3.7580 -3.7580 -1.7852 -1.7852 -1.5321 -1.5321 -1.5220 -1.5220 0.9290 0.9290 4.3211 4.3211 6.1249 6.1249 6.1435 6.1435 7.5811 7.5811 9.1361 9.1361 10.0594 10.0594 10.1154 10.1154 k = 0.5000 0.5000 0.3659 ( 1948 PWs) bands (ev): -3.7666 -3.7666 -3.7584 -3.7584 -1.7844 -1.7844 -1.5288 -1.5288 -1.5208 -1.5208 0.9371 0.9371 4.3724 4.3724 6.2094 6.2094 6.2429 6.2429 7.5087 7.5087 8.9901 8.9901 9.9097 9.9097 9.9673 9.9673 k = 0.5000 0.5000 0.3780 ( 1956 PWs) bands (ev): -3.7656 -3.7656 -3.7588 -3.7588 -1.7838 -1.7838 -1.5258 -1.5258 -1.5194 -1.5194 0.9448 0.9448 4.4224 4.4224 6.2928 6.2928 6.3441 6.3441 7.4431 7.4431 8.8488 8.8488 9.7669 9.7669 9.8246 9.8246 k = 0.5000 0.5000 0.3902 ( 1952 PWs) bands (ev): -3.7648 -3.7648 -3.7592 -3.7592 -1.7833 -1.7833 -1.5229 -1.5229 -1.5180 -1.5180 0.9521 0.9521 4.4706 4.4706 6.3740 6.3740 6.4469 6.4469 7.3847 7.3847 8.7124 8.7124 9.6320 9.6320 9.6881 9.6881 k = 0.5000 0.5000 0.4024 ( 1952 PWs) bands (ev): -3.7640 -3.7640 -3.7596 -3.7596 -1.7830 -1.7830 -1.5203 -1.5203 -1.5166 -1.5166 0.9588 0.9588 4.5164 4.5164 6.4518 6.4518 6.5507 6.5507 7.3341 7.3341 8.5809 8.5809 9.5058 9.5058 9.5586 9.5586 k = 0.5000 0.5000 0.4146 ( 1952 PWs) bands (ev): -3.7634 -3.7634 -3.7599 -3.7599 -1.7828 -1.7828 -1.5179 -1.5179 -1.5152 -1.5152 0.9649 0.9649 4.5592 4.5592 6.5246 6.5246 6.6552 6.6552 7.2919 7.2919 8.4544 8.4544 9.3897 9.3897 9.4374 9.4374 k = 0.5000 0.5000 0.4268 ( 1952 PWs) bands (ev): -3.7628 -3.7628 -3.7602 -3.7602 -1.7827 -1.7827 -1.5158 -1.5158 -1.5139 -1.5139 0.9704 0.9704 4.5981 4.5981 6.5905 6.5905 6.7594 6.7594 7.2587 7.2587 8.3332 8.3332 9.2848 9.2848 9.3258 9.3258 k = 0.5000 0.5000 0.4390 ( 1952 PWs) bands (ev): -3.7623 -3.7623 -3.7605 -3.7605 -1.7827 -1.7827 -1.5140 -1.5140 -1.5127 -1.5127 0.9751 0.9751 4.6327 4.6327 6.6475 6.6475 6.8623 6.8623 7.2350 7.2350 8.2177 8.2177 9.1927 9.1927 9.2255 9.2255 k = 0.5000 0.5000 0.4512 ( 1952 PWs) bands (ev): -3.7619 -3.7619 -3.7607 -3.7607 -1.7827 -1.7827 -1.5125 -1.5125 -1.5117 -1.5117 0.9790 0.9790 4.6621 4.6621 6.6938 6.6938 6.9619 6.9619 7.2205 7.2205 8.1092 8.1092 9.1148 9.1148 9.1386 9.1386 k = 0.5000 0.5000 0.4634 ( 1952 PWs) bands (ev): -3.7615 -3.7615 -3.7609 -3.7609 -1.7827 -1.7827 -1.5114 -1.5114 -1.5109 -1.5109 0.9821 0.9821 4.6857 4.6857 6.7286 6.7286 7.0549 7.0549 7.2141 7.2141 8.0101 8.0101 9.0525 9.0525 9.0673 9.0673 k = 0.5000 0.5000 0.4756 ( 1944 PWs) bands (ev): -3.7613 -3.7613 -3.7610 -3.7610 -1.7827 -1.7827 -1.5105 -1.5105 -1.5103 -1.5103 0.9844 0.9844 4.7030 4.7030 6.7520 6.7520 7.1355 7.1355 7.2132 7.2132 7.9257 7.9257 9.0070 9.0070 9.0142 9.0142 k = 0.5000 0.5000 0.4878 ( 1928 PWs) bands (ev): -3.7611 -3.7611 -3.7611 -3.7611 -1.7827 -1.7827 -1.5100 -1.5100 -1.5099 -1.5099 0.9858 0.9858 4.7136 4.7136 6.7652 6.7652 7.1935 7.1935 7.2145 7.2145 7.8656 7.8656 8.9793 8.9793 8.9812 8.9812 k = 0.5000 0.5000 0.5000 ( 1904 PWs) bands (ev): -3.7610 -3.7610 -3.7610 -3.7610 -1.7826 -1.7826 -1.5097 -1.5097 -1.5097 -1.5097 0.9862 0.9862 4.7171 4.7171 6.7694 6.7694 7.2153 7.2153 7.2153 7.2153 7.8431 7.8431 8.9700 8.9700 8.9700 8.9700 Writing output data file TlSb.save init_run : 0.17s CPU 0.28s WALL ( 1 calls) electrons : 27.31s CPU 28.03s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.01s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 27.31s CPU 28.03s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.02s CPU 0.04s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.02s WALL ( 316 calls) cegterg : 24.70s CPU 25.24s WALL ( 317 calls) Called by sum_band: Called by *egterg: h_psi : 11.87s CPU 12.26s WALL ( 4556 calls) s_psi : 0.78s CPU 0.73s WALL ( 4556 calls) g_psi : 0.04s CPU 0.04s WALL ( 3923 calls) cdiaghg : 11.28s CPU 11.51s WALL ( 4239 calls) cegterg:over : 0.98s CPU 0.93s WALL ( 3923 calls) cegterg:upda : 0.66s CPU 0.68s WALL ( 3923 calls) cegterg:last : 0.37s CPU 0.42s WALL ( 943 calls) cdiaghg:chol : 0.60s CPU 0.59s WALL ( 4239 calls) cdiaghg:inve : 0.20s CPU 0.20s WALL ( 4239 calls) cdiaghg:para : 0.87s CPU 0.76s WALL ( 8478 calls) Called by h_psi: h_psi:vloc : 10.36s CPU 10.63s WALL ( 4556 calls) h_psi:vnl : 1.50s CPU 1.62s WALL ( 4556 calls) add_vuspsi : 0.86s CPU 0.95s WALL ( 4556 calls) General routines calbec : 0.62s CPU 0.66s WALL ( 4556 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 9.67s CPU 9.79s WALL ( 300828 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.06s CPU 0.07s WALL ( 632 calls) Parallel routines fft_scatter : 6.10s CPU 6.09s WALL ( 300851 calls) PWSCF : 34.43s CPU 43.42s WALL This run was terminated on: 21:13:14 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=