Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17: 6:14 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./TlCl.save/ file Tl.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 26 21 6 596 437 76 Max 27 22 7 600 448 79 Sum 941 769 241 21559 15967 2777 bravais-lattice index = 14 lattice parameter (alat) = 7.2452 a.u. unit-cell volume = 380.3232 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 20.00 number of Kohn-Sham states= 28 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 224.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.245209 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 Cl read from file: /users/gautes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1157 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) Cl 7.00 35.45300 Cl( 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: 21559 G-vectors FFT dimensions: ( 36, 36, 36) Smooth grid: 15967 G-vectors FFT dimensions: ( 32, 32, 32) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.05 Mb ( 120, 28) NL pseudopotentials 0.06 Mb ( 60, 68) Each V/rho on FFT grid 0.02 Mb ( 1296) Each G-vector array 0.00 Mb ( 600) G-vector shells 0.00 Mb ( 172) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.21 Mb ( 120, 112) Each subspace H/S matrix 0.01 Mb ( 28, 28) Each matrix 0.06 Mb ( 68, 2, 28) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./TlCl.save/charge-density.dat Starting wfc are 26 randomized atomic wfcs + 2 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.5 secs Computing kpt #: 2 total cpu time spent up to now is 2.6 secs Computing kpt #: 3 total cpu time spent up to now is 2.7 secs Computing kpt #: 4 total cpu time spent up to now is 2.8 secs Computing kpt #: 5 total cpu time spent up to now is 2.9 secs Computing kpt #: 6 total cpu time spent up to now is 3.0 secs Computing kpt #: 7 total cpu time spent up to now is 3.1 secs Computing kpt #: 8 total cpu time spent up to now is 3.2 secs Computing kpt #: 9 total cpu time spent up to now is 3.3 secs Computing kpt #: 10 total cpu time spent up to now is 3.4 secs Computing kpt #: 11 total cpu time spent up to now is 3.5 secs Computing kpt #: 12 total cpu time spent up to now is 3.6 secs Computing kpt #: 13 total cpu time spent up to now is 3.7 secs Computing kpt #: 14 total cpu time spent up to now is 3.8 secs Computing kpt #: 15 total cpu time spent up to now is 3.9 secs Computing kpt #: 16 total cpu time spent up to now is 4.0 secs Computing kpt #: 17 total cpu time spent up to now is 4.0 secs Computing kpt #: 18 total cpu time spent up to now is 4.1 secs Computing kpt #: 19 total cpu time spent up to now is 4.2 secs Computing kpt #: 20 total cpu time spent up to now is 4.3 secs Computing kpt #: 21 total cpu time spent up to now is 4.4 secs Computing kpt #: 22 total cpu time spent up to now is 4.5 secs Computing kpt #: 23 total cpu time spent up to now is 4.6 secs Computing kpt #: 24 total cpu time spent up to now is 4.7 secs Computing kpt #: 25 total cpu time spent up to now is 4.8 secs Computing kpt #: 26 total cpu time spent up to now is 5.0 secs Computing kpt #: 27 total cpu time spent up to now is 5.1 secs Computing kpt #: 28 total cpu time spent up to now is 5.2 secs Computing kpt #: 29 total cpu time spent up to now is 5.3 secs Computing kpt #: 30 total cpu time spent up to now is 5.4 secs Computing kpt #: 31 total cpu time spent up to now is 5.5 secs Computing kpt #: 32 total cpu time spent up to now is 5.6 secs Computing kpt #: 33 total cpu time spent up to now is 5.7 secs Computing kpt #: 34 total cpu time spent up to now is 5.8 secs Computing kpt #: 35 total cpu time spent up to now is 5.9 secs Computing kpt #: 36 total cpu time spent up to now is 6.0 secs Computing kpt #: 37 total cpu time spent up to now is 6.1 secs Computing kpt #: 38 total cpu time spent up to now is 6.2 secs Computing kpt #: 39 total cpu time spent up to now is 6.3 secs Computing kpt #: 40 total cpu time spent up to now is 6.4 secs Computing kpt #: 41 total cpu time spent up to now is 6.5 secs Computing kpt #: 42 total cpu time spent up to now is 6.7 secs Computing kpt #: 43 total cpu time spent up to now is 6.8 secs Computing kpt #: 44 total cpu time spent up to now is 6.9 secs Computing kpt #: 45 total cpu time spent up to now is 7.0 secs Computing kpt #: 46 total cpu time spent up to now is 7.1 secs Computing kpt #: 47 total cpu time spent up to now is 7.2 secs Computing kpt #: 48 total cpu time spent up to now is 7.3 secs Computing kpt #: 49 total cpu time spent up to now is 7.4 secs Computing kpt #: 50 total cpu time spent up to now is 7.5 secs Computing kpt #: 51 total cpu time spent up to now is 7.6 secs Computing kpt #: 52 total cpu time spent up to now is 7.7 secs Computing kpt #: 53 total cpu time spent up to now is 7.8 secs Computing kpt #: 54 total cpu time spent up to now is 7.9 secs Computing kpt #: 55 total cpu time spent up to now is 8.0 secs Computing kpt #: 56 total cpu time spent up to now is 8.1 secs Computing kpt #: 57 total cpu time spent up to now is 8.2 secs Computing kpt #: 58 total cpu time spent up to now is 8.3 secs Computing kpt #: 59 total cpu time spent up to now is 8.4 secs Computing kpt #: 60 total cpu time spent up to now is 8.5 secs Computing kpt #: 61 total cpu time spent up to now is 8.6 secs Computing kpt #: 62 total cpu time spent up to now is 8.7 secs Computing kpt #: 63 total cpu time spent up to now is 8.7 secs Computing kpt #: 64 total cpu time spent up to now is 8.8 secs Computing kpt #: 65 total cpu time spent up to now is 8.9 secs Computing kpt #: 66 total cpu time spent up to now is 9.0 secs Computing kpt #: 67 total cpu time spent up to now is 9.1 secs Computing kpt #: 68 total cpu time spent up to now is 9.2 secs Computing kpt #: 69 total cpu time spent up to now is 9.3 secs Computing kpt #: 70 total cpu time spent up to now is 9.4 secs Computing kpt #: 71 total cpu time spent up to now is 9.5 secs Computing kpt #: 72 total cpu time spent up to now is 9.6 secs Computing kpt #: 73 total cpu time spent up to now is 9.7 secs Computing kpt #: 74 total cpu time spent up to now is 9.8 secs Computing kpt #: 75 total cpu time spent up to now is 9.9 secs Computing kpt #: 76 total cpu time spent up to now is 10.0 secs Computing kpt #: 77 total cpu time spent up to now is 10.1 secs Computing kpt #: 78 total cpu time spent up to now is 10.2 secs Computing kpt #: 79 total cpu time spent up to now is 10.3 secs Computing kpt #: 80 total cpu time spent up to now is 10.4 secs Computing kpt #: 81 total cpu time spent up to now is 10.5 secs Computing kpt #: 82 total cpu time spent up to now is 10.6 secs Computing kpt #: 83 total cpu time spent up to now is 10.7 secs Computing kpt #: 84 total cpu time spent up to now is 10.7 secs Computing kpt #: 85 total cpu time spent up to now is 10.8 secs Computing kpt #: 86 total cpu time spent up to now is 10.9 secs Computing kpt #: 87 total cpu time spent up to now is 11.0 secs Computing kpt #: 88 total cpu time spent up to now is 11.1 secs Computing kpt #: 89 total cpu time spent up to now is 11.2 secs Computing kpt #: 90 total cpu time spent up to now is 11.3 secs Computing kpt #: 91 total cpu time spent up to now is 11.4 secs Computing kpt #: 92 total cpu time spent up to now is 11.5 secs Computing kpt #: 93 total cpu time spent up to now is 11.6 secs Computing kpt #: 94 total cpu time spent up to now is 11.7 secs Computing kpt #: 95 total cpu time spent up to now is 11.8 secs Computing kpt #: 96 total cpu time spent up to now is 11.8 secs Computing kpt #: 97 total cpu time spent up to now is 11.9 secs Computing kpt #: 98 total cpu time spent up to now is 12.0 secs Computing kpt #: 99 total cpu time spent up to now is 12.1 secs Computing kpt #: 100 total cpu time spent up to now is 12.2 secs Computing kpt #: 101 total cpu time spent up to now is 12.3 secs Computing kpt #: 102 total cpu time spent up to now is 12.4 secs Computing kpt #: 103 total cpu time spent up to now is 12.5 secs Computing kpt #: 104 total cpu time spent up to now is 12.6 secs Computing kpt #: 105 total cpu time spent up to now is 12.7 secs Computing kpt #: 106 total cpu time spent up to now is 12.8 secs Computing kpt #: 107 total cpu time spent up to now is 12.9 secs Computing kpt #: 108 total cpu time spent up to now is 13.0 secs Computing kpt #: 109 total cpu time spent up to now is 13.1 secs Computing kpt #: 110 total cpu time spent up to now is 13.2 secs Computing kpt #: 111 total cpu time spent up to now is 13.4 secs Computing kpt #: 112 total cpu time spent up to now is 13.5 secs Computing kpt #: 113 total cpu time spent up to now is 13.6 secs Computing kpt #: 114 total cpu time spent up to now is 13.6 secs Computing kpt #: 115 total cpu time spent up to now is 13.7 secs Computing kpt #: 116 total cpu time spent up to now is 13.8 secs Computing kpt #: 117 total cpu time spent up to now is 13.9 secs Computing kpt #: 118 total cpu time spent up to now is 14.0 secs Computing kpt #: 119 total cpu time spent up to now is 14.1 secs Computing kpt #: 120 total cpu time spent up to now is 14.2 secs Computing kpt #: 121 total cpu time spent up to now is 14.3 secs Computing kpt #: 122 total cpu time spent up to now is 14.4 secs Computing kpt #: 123 total cpu time spent up to now is 14.5 secs Computing kpt #: 124 total cpu time spent up to now is 14.6 secs Computing kpt #: 125 total cpu time spent up to now is 14.7 secs Computing kpt #: 126 total cpu time spent up to now is 14.8 secs Computing kpt #: 127 total cpu time spent up to now is 14.9 secs Computing kpt #: 128 total cpu time spent up to now is 15.0 secs Computing kpt #: 129 total cpu time spent up to now is 15.1 secs Computing kpt #: 130 total cpu time spent up to now is 15.1 secs Computing kpt #: 131 total cpu time spent up to now is 15.2 secs Computing kpt #: 132 total cpu time spent up to now is 15.3 secs Computing kpt #: 133 total cpu time spent up to now is 15.4 secs Computing kpt #: 134 total cpu time spent up to now is 15.5 secs Computing kpt #: 135 total cpu time spent up to now is 15.6 secs Computing kpt #: 136 total cpu time spent up to now is 15.7 secs Computing kpt #: 137 total cpu time spent up to now is 15.8 secs Computing kpt #: 138 total cpu time spent up to now is 15.9 secs Computing kpt #: 139 total cpu time spent up to now is 16.0 secs Computing kpt #: 140 total cpu time spent up to now is 16.1 secs Computing kpt #: 141 total cpu time spent up to now is 16.2 secs Computing kpt #: 142 total cpu time spent up to now is 16.4 secs Computing kpt #: 143 total cpu time spent up to now is 16.5 secs Computing kpt #: 144 total cpu time spent up to now is 16.6 secs Computing kpt #: 145 total cpu time spent up to now is 16.8 secs Computing kpt #: 146 total cpu time spent up to now is 16.9 secs Computing kpt #: 147 total cpu time spent up to now is 17.0 secs Computing kpt #: 148 total cpu time spent up to now is 17.1 secs Computing kpt #: 149 total cpu time spent up to now is 17.2 secs Computing kpt #: 150 total cpu time spent up to now is 17.3 secs Computing kpt #: 151 total cpu time spent up to now is 17.4 secs Computing kpt #: 152 total cpu time spent up to now is 17.5 secs Computing kpt #: 153 total cpu time spent up to now is 17.6 secs Computing kpt #: 154 total cpu time spent up to now is 17.8 secs Computing kpt #: 155 total cpu time spent up to now is 17.9 secs Computing kpt #: 156 total cpu time spent up to now is 18.0 secs Computing kpt #: 157 total cpu time spent up to now is 18.2 secs Computing kpt #: 158 total cpu time spent up to now is 18.3 secs Computing kpt #: 159 total cpu time spent up to now is 18.4 secs Computing kpt #: 160 total cpu time spent up to now is 18.5 secs Computing kpt #: 161 total cpu time spent up to now is 18.7 secs Computing kpt #: 162 total cpu time spent up to now is 18.8 secs Computing kpt #: 163 total cpu time spent up to now is 19.0 secs Computing kpt #: 164 total cpu time spent up to now is 19.1 secs Computing kpt #: 165 total cpu time spent up to now is 19.3 secs Computing kpt #: 166 total cpu time spent up to now is 19.4 secs Computing kpt #: 167 total cpu time spent up to now is 19.6 secs Computing kpt #: 168 total cpu time spent up to now is 19.8 secs Computing kpt #: 169 total cpu time spent up to now is 19.9 secs Computing kpt #: 170 total cpu time spent up to now is 20.1 secs Computing kpt #: 171 total cpu time spent up to now is 20.3 secs Computing kpt #: 172 total cpu time spent up to now is 20.5 secs Computing kpt #: 173 total cpu time spent up to now is 20.7 secs Computing kpt #: 174 total cpu time spent up to now is 20.9 secs Computing kpt #: 175 total cpu time spent up to now is 21.1 secs Computing kpt #: 176 total cpu time spent up to now is 21.2 secs Computing kpt #: 177 total cpu time spent up to now is 21.3 secs Computing kpt #: 178 total cpu time spent up to now is 21.5 secs Computing kpt #: 179 total cpu time spent up to now is 21.7 secs Computing kpt #: 180 total cpu time spent up to now is 21.9 secs Computing kpt #: 181 total cpu time spent up to now is 22.1 secs Computing kpt #: 182 total cpu time spent up to now is 22.3 secs Computing kpt #: 183 total cpu time spent up to now is 22.5 secs Computing kpt #: 184 total cpu time spent up to now is 22.7 secs Computing kpt #: 185 total cpu time spent up to now is 22.9 secs Computing kpt #: 186 total cpu time spent up to now is 23.2 secs Computing kpt #: 187 total cpu time spent up to now is 23.3 secs Computing kpt #: 188 total cpu time spent up to now is 23.5 secs Computing kpt #: 189 total cpu time spent up to now is 23.7 secs Computing kpt #: 190 total cpu time spent up to now is 23.8 secs Computing kpt #: 191 total cpu time spent up to now is 24.0 secs Computing kpt #: 192 total cpu time spent up to now is 24.1 secs Computing kpt #: 193 total cpu time spent up to now is 24.2 secs Computing kpt #: 194 total cpu time spent up to now is 24.3 secs Computing kpt #: 195 total cpu time spent up to now is 24.4 secs Computing kpt #: 196 total cpu time spent up to now is 24.5 secs Computing kpt #: 197 total cpu time spent up to now is 24.6 secs Computing kpt #: 198 total cpu time spent up to now is 24.8 secs Computing kpt #: 199 total cpu time spent up to now is 24.9 secs Computing kpt #: 200 total cpu time spent up to now is 25.0 secs Computing kpt #: 201 total cpu time spent up to now is 25.1 secs Computing kpt #: 202 total cpu time spent up to now is 25.2 secs Computing kpt #: 203 total cpu time spent up to now is 25.3 secs Computing kpt #: 204 total cpu time spent up to now is 25.4 secs Computing kpt #: 205 total cpu time spent up to now is 25.5 secs Computing kpt #: 206 total cpu time spent up to now is 25.6 secs Computing kpt #: 207 total cpu time spent up to now is 25.7 secs Computing kpt #: 208 total cpu time spent up to now is 25.9 secs Computing kpt #: 209 total cpu time spent up to now is 26.0 secs Computing kpt #: 210 total cpu time spent up to now is 26.2 secs Computing kpt #: 211 total cpu time spent up to now is 26.4 secs Computing kpt #: 212 total cpu time spent up to now is 26.6 secs Computing kpt #: 213 total cpu time spent up to now is 26.9 secs Computing kpt #: 214 total cpu time spent up to now is 27.0 secs Computing kpt #: 215 total cpu time spent up to now is 27.1 secs Computing kpt #: 216 total cpu time spent up to now is 27.3 secs Computing kpt #: 217 total cpu time spent up to now is 27.5 secs Computing kpt #: 218 total cpu time spent up to now is 27.8 secs Computing kpt #: 219 total cpu time spent up to now is 28.0 secs Computing kpt #: 220 total cpu time spent up to now is 28.2 secs Computing kpt #: 221 total cpu time spent up to now is 28.4 secs Computing kpt #: 222 total cpu time spent up to now is 28.6 secs Computing kpt #: 223 total cpu time spent up to now is 28.7 secs Computing kpt #: 224 total cpu time spent up to now is 28.9 secs Computing kpt #: 225 total cpu time spent up to now is 29.1 secs Computing kpt #: 226 total cpu time spent up to now is 29.2 secs Computing kpt #: 227 total cpu time spent up to now is 29.4 secs Computing kpt #: 228 total cpu time spent up to now is 29.5 secs Computing kpt #: 229 total cpu time spent up to now is 29.7 secs Computing kpt #: 230 total cpu time spent up to now is 29.8 secs Computing kpt #: 231 total cpu time spent up to now is 29.9 secs Computing kpt #: 232 total cpu time spent up to now is 30.0 secs Computing kpt #: 233 total cpu time spent up to now is 30.1 secs Computing kpt #: 234 total cpu time spent up to now is 30.3 secs Computing kpt #: 235 total cpu time spent up to now is 30.4 secs Computing kpt #: 236 total cpu time spent up to now is 30.5 secs Computing kpt #: 237 total cpu time spent up to now is 30.7 secs Computing kpt #: 238 total cpu time spent up to now is 30.8 secs Computing kpt #: 239 total cpu time spent up to now is 30.9 secs Computing kpt #: 240 total cpu time spent up to now is 31.0 secs Computing kpt #: 241 total cpu time spent up to now is 31.2 secs Computing kpt #: 242 total cpu time spent up to now is 31.3 secs Computing kpt #: 243 total cpu time spent up to now is 31.4 secs Computing kpt #: 244 total cpu time spent up to now is 31.6 secs Computing kpt #: 245 total cpu time spent up to now is 31.8 secs Computing kpt #: 246 total cpu time spent up to now is 32.0 secs Computing kpt #: 247 total cpu time spent up to now is 32.2 secs Computing kpt #: 248 total cpu time spent up to now is 32.3 secs Computing kpt #: 249 total cpu time spent up to now is 32.4 secs Computing kpt #: 250 total cpu time spent up to now is 32.5 secs Computing kpt #: 251 total cpu time spent up to now is 32.6 secs Computing kpt #: 252 total cpu time spent up to now is 32.7 secs Computing kpt #: 253 total cpu time spent up to now is 32.8 secs Computing kpt #: 254 total cpu time spent up to now is 32.9 secs Computing kpt #: 255 total cpu time spent up to now is 33.0 secs Computing kpt #: 256 total cpu time spent up to now is 33.1 secs Computing kpt #: 257 total cpu time spent up to now is 33.2 secs Computing kpt #: 258 total cpu time spent up to now is 33.2 secs Computing kpt #: 259 total cpu time spent up to now is 33.3 secs Computing kpt #: 260 total cpu time spent up to now is 33.4 secs Computing kpt #: 261 total cpu time spent up to now is 33.5 secs Computing kpt #: 262 total cpu time spent up to now is 33.6 secs Computing kpt #: 263 total cpu time spent up to now is 33.7 secs Computing kpt #: 264 total cpu time spent up to now is 33.8 secs Computing kpt #: 265 total cpu time spent up to now is 33.9 secs Computing kpt #: 266 total cpu time spent up to now is 34.0 secs Computing kpt #: 267 total cpu time spent up to now is 34.1 secs Computing kpt #: 268 total cpu time spent up to now is 34.2 secs Computing kpt #: 269 total cpu time spent up to now is 34.3 secs Computing kpt #: 270 total cpu time spent up to now is 34.4 secs Computing kpt #: 271 total cpu time spent up to now is 34.5 secs Computing kpt #: 272 total cpu time spent up to now is 34.6 secs Computing kpt #: 273 total cpu time spent up to now is 34.7 secs Computing kpt #: 274 total cpu time spent up to now is 34.8 secs Computing kpt #: 275 total cpu time spent up to now is 34.9 secs Computing kpt #: 276 total cpu time spent up to now is 35.0 secs Computing kpt #: 277 total cpu time spent up to now is 35.1 secs Computing kpt #: 278 total cpu time spent up to now is 35.2 secs Computing kpt #: 279 total cpu time spent up to now is 35.3 secs Computing kpt #: 280 total cpu time spent up to now is 35.4 secs Computing kpt #: 281 total cpu time spent up to now is 35.5 secs Computing kpt #: 282 total cpu time spent up to now is 35.6 secs Computing kpt #: 283 total cpu time spent up to now is 35.7 secs Computing kpt #: 284 total cpu time spent up to now is 35.8 secs Computing kpt #: 285 total cpu time spent up to now is 35.8 secs Computing kpt #: 286 total cpu time spent up to now is 35.9 secs Computing kpt #: 287 total cpu time spent up to now is 36.0 secs Computing kpt #: 288 total cpu time spent up to now is 36.1 secs Computing kpt #: 289 total cpu time spent up to now is 36.2 secs Computing kpt #: 290 total cpu time spent up to now is 36.3 secs Computing kpt #: 291 total cpu time spent up to now is 36.4 secs Computing kpt #: 292 total cpu time spent up to now is 36.5 secs Computing kpt #: 293 total cpu time spent up to now is 36.6 secs Computing kpt #: 294 total cpu time spent up to now is 36.7 secs Computing kpt #: 295 total cpu time spent up to now is 36.7 secs Computing kpt #: 296 total cpu time spent up to now is 36.8 secs Computing kpt #: 297 total cpu time spent up to now is 36.9 secs Computing kpt #: 298 total cpu time spent up to now is 37.0 secs Computing kpt #: 299 total cpu time spent up to now is 37.1 secs Computing kpt #: 300 total cpu time spent up to now is 37.2 secs Computing kpt #: 301 total cpu time spent up to now is 37.3 secs Computing kpt #: 302 total cpu time spent up to now is 37.4 secs Computing kpt #: 303 total cpu time spent up to now is 37.5 secs Computing kpt #: 304 total cpu time spent up to now is 37.6 secs Computing kpt #: 305 total cpu time spent up to now is 37.7 secs Computing kpt #: 306 total cpu time spent up to now is 37.8 secs Computing kpt #: 307 total cpu time spent up to now is 37.9 secs Computing kpt #: 308 total cpu time spent up to now is 38.1 secs Computing kpt #: 309 total cpu time spent up to now is 38.2 secs Computing kpt #: 310 total cpu time spent up to now is 38.3 secs Computing kpt #: 311 total cpu time spent up to now is 38.4 secs Computing kpt #: 312 total cpu time spent up to now is 38.5 secs Computing kpt #: 313 total cpu time spent up to now is 38.7 secs Computing kpt #: 314 total cpu time spent up to now is 38.9 secs Computing kpt #: 315 total cpu time spent up to now is 39.1 secs Computing kpt #: 316 total cpu time spent up to now is 39.3 secs ethr = 5.00E-08, avg # of iterations = 17.9 total cpu time spent up to now is 39.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2007 PWs) bands (ev): -8.4635 -8.4635 -5.7329 -5.7329 -5.7329 -5.7329 -3.5976 -3.5976 -3.5976 -3.5976 -3.4354 -3.4354 0.8049 0.8049 3.6563 3.6563 3.8545 3.8545 3.8545 3.8545 11.5944 11.5944 13.1517 13.1517 13.1517 13.7562 13.7562 13.7562 k = 0.0000 0.0122-0.0000 ( 2007 PWs) bands (ev): -8.4632 -8.4632 -5.7329 -5.7329 -5.7328 -5.7328 -3.5976 -3.5976 -3.5975 -3.5975 -3.4355 -3.4355 0.8035 0.8035 3.6571 3.6571 3.8551 3.8551 3.8555 3.8555 11.5882 11.5882 13.1412 13.1412 13.1526 13.1526 13.7541 13.7541 k = 0.0000 0.0244-0.0000 ( 1983 PWs) bands (ev): -8.4621 -8.4621 -5.7329 -5.7329 -5.7326 -5.7326 -3.5976 -3.5976 -3.5972 -3.5972 -3.4358 -3.4358 0.7990 0.7990 3.6597 3.6597 3.8568 3.8568 3.8585 3.8585 11.5696 11.5696 13.1115 13.1115 13.1554 13.1554 13.7477 13.7477 k = 0.0000 0.0366-0.0000 ( 1975 PWs) bands (ev): -8.4604 -8.4604 -5.7329 -5.7329 -5.7324 -5.7324 -3.5976 -3.5976 -3.5967 -3.5967 -3.4363 -3.4363 0.7917 0.7917 3.6640 3.6640 3.8597 3.8597 3.8635 3.8635 11.5385 11.5385 13.0665 13.0665 13.1600 13.1600 13.7371 13.7371 k = 0.0000 0.0488-0.0000 ( 1975 PWs) bands (ev): -8.4580 -8.4580 -5.7329 -5.7329 -5.7320 -5.7320 -3.5976 -3.5976 -3.5961 -3.5961 -3.4369 -3.4369 0.7816 0.7816 3.6700 3.6700 3.8637 3.8637 3.8706 3.8706 11.4951 11.4951 13.0107 13.0107 13.1664 13.1664 13.7224 13.7224 k = 0.0000 0.0610-0.0000 ( 1983 PWs) bands (ev): -8.4550 -8.4550 -5.7330 -5.7330 -5.7316 -5.7316 -3.5977 -3.5977 -3.5952 -3.5952 -3.4377 -3.4377 0.7687 0.7687 3.6775 3.6775 3.8688 3.8688 3.8796 3.8796 11.4394 11.4394 12.9475 12.9475 13.1746 13.1746 13.7036 13.7036 k = 0.0000 0.0732-0.0000 ( 1991 PWs) bands (ev): -8.4513 -8.4513 -5.7331 -5.7331 -5.7310 -5.7310 -3.5977 -3.5977 -3.5942 -3.5942 -3.4387 -3.4387 0.7531 0.7531 3.6866 3.6866 3.8750 3.8750 3.8908 3.8908 11.3717 11.3717 12.8798 12.8798 13.1847 13.1847 13.6808 13.6808 k = 0.0000 0.0854-0.0000 ( 1999 PWs) bands (ev): -8.4470 -8.4470 -5.7332 -5.7332 -5.7304 -5.7304 -3.5978 -3.5978 -3.5930 -3.5930 -3.4399 -3.4399 0.7350 0.7350 3.6971 3.6971 3.8823 3.8823 3.9042 3.9042 11.2923 11.2923 12.8096 12.8096 13.1965 13.1965 13.6543 13.6543 k = 0.0000 0.0976-0.0000 ( 1999 PWs) bands (ev): -8.4421 -8.4421 -5.7332 -5.7332 -5.7297 -5.7297 -3.5978 -3.5978 -3.5916 -3.5916 -3.4412 -3.4412 0.7145 0.7145 3.7090 3.7090 3.8906 3.8906 3.9198 3.9198 11.2017 11.2017 12.7383 12.7383 13.2101 13.2101 13.6242 13.6242 k = 0.0000 0.1098-0.0000 ( 1999 PWs) bands (ev): -8.4366 -8.4366 -5.7333 -5.7333 -5.7289 -5.7289 -3.5979 -3.5979 -3.5901 -3.5901 -3.4426 -3.4426 0.6918 0.6918 3.7221 3.7221 3.8998 3.8998 3.9376 3.9376 11.1006 11.1006 12.6669 12.6669 13.2255 13.2255 13.5907 13.5907 k = 0.0000 0.1220-0.0000 ( 1999 PWs) bands (ev): -8.4306 -8.4306 -5.7335 -5.7335 -5.7280 -5.7280 -3.5980 -3.5980 -3.5884 -3.5884 -3.4442 -3.4442 0.6671 0.6671 3.7362 3.7362 3.9100 3.9100 3.9578 3.9578 10.9898 10.9898 12.5962 12.5962 13.2426 13.2426 13.5540 13.5540 k = 0.0000 0.1341-0.0000 ( 1999 PWs) bands (ev): -8.4240 -8.4240 -5.7336 -5.7336 -5.7271 -5.7271 -3.5981 -3.5981 -3.5866 -3.5866 -3.4459 -3.4459 0.6405 0.6405 3.7514 3.7514 3.9211 3.9211 3.9803 3.9803 10.8702 10.8702 12.5266 12.5266 13.2615 13.2615 13.5144 13.5144 k = 0.0000 0.1463-0.0000 ( 2007 PWs) bands (ev): -8.4170 -8.4170 -5.7337 -5.7337 -5.7262 -5.7262 -3.5983 -3.5983 -3.5847 -3.5847 -3.4476 -3.4476 0.6122 0.6122 3.7675 3.7675 3.9330 3.9330 4.0053 4.0053 10.7429 10.7429 12.4584 12.4584 13.2820 13.2820 13.4720 13.4720 k = 0.0000 0.1585-0.0000 ( 1999 PWs) bands (ev): -8.4095 -8.4095 -5.7338 -5.7338 -5.7251 -5.7251 -3.5984 -3.5984 -3.5826 -3.5826 -3.4495 -3.4495 0.5825 0.5825 3.7843 3.7843 3.9456 3.9456 4.0327 4.0327 10.6090 10.6090 12.3916 12.3916 13.3042 13.3042 13.4273 13.4273 k = 0.0000 0.1707-0.0000 ( 1999 PWs) bands (ev): -8.4015 -8.4015 -5.7340 -5.7340 -5.7241 -5.7241 -3.5986 -3.5986 -3.5805 -3.5805 -3.4515 -3.4515 0.5515 0.5515 3.8017 3.8017 3.9590 3.9590 4.0626 4.0626 10.4693 10.4693 12.3263 12.3263 13.3278 13.3278 13.3806 13.3806 k = 0.0000 0.1829-0.0000 ( 2000 PWs) bands (ev): -8.3932 -8.3932 -5.7341 -5.7341 -5.7230 -5.7230 -3.5988 -3.5988 -3.5783 -3.5783 -3.4535 -3.4535 0.5194 0.5194 3.8197 3.8197 3.9730 3.9730 4.0951 4.0951 10.3251 10.3251 12.2624 12.2624 13.3311 13.3311 13.3540 13.3540 k = 0.0000 0.1951-0.0000 ( 2000 PWs) bands (ev): -8.3846 -8.3846 -5.7343 -5.7343 -5.7219 -5.7219 -3.5991 -3.5991 -3.5760 -3.5760 -3.4555 -3.4555 0.4865 0.4865 3.8381 3.8381 3.9875 3.9875 4.1301 4.1301 10.1772 10.1772 12.1998 12.1998 13.2814 13.2814 13.3805 13.3805 k = 0.0000 0.2073-0.0000 ( 2000 PWs) bands (ev): -8.3757 -8.3757 -5.7345 -5.7345 -5.7208 -5.7208 -3.5993 -3.5993 -3.5736 -3.5736 -3.4576 -3.4576 0.4530 0.4530 3.8568 3.8568 4.0026 4.0026 4.1676 4.1676 10.0264 10.0264 12.1386 12.1386 13.2301 13.2301 13.4088 13.4088 k = 0.0000 0.2195-0.0000 ( 1992 PWs) bands (ev): -8.3666 -8.3666 -5.7346 -5.7346 -5.7197 -5.7197 -3.5996 -3.5996 -3.5713 -3.5713 -3.4596 -3.4596 0.4191 0.4191 3.8758 3.8758 4.0180 4.0180 4.2076 4.2076 9.8737 9.8737 12.0786 12.0786 13.1779 13.1779 13.4386 13.4386 k = 0.0000 0.2317-0.0000 ( 1996 PWs) bands (ev): -8.3573 -8.3573 -5.7348 -5.7348 -5.7187 -5.7187 -3.6000 -3.6000 -3.5688 -3.5688 -3.4617 -3.4617 0.3850 0.3850 3.8949 3.8949 4.0337 4.0337 4.2501 4.2501 9.7197 9.7197 12.0200 12.0200 13.1252 13.1252 13.4697 13.4697 k = 0.0000 0.2439-0.0000 ( 2000 PWs) bands (ev): -8.3478 -8.3478 -5.7350 -5.7350 -5.7176 -5.7176 -3.6004 -3.6004 -3.5664 -3.5664 -3.4638 -3.4638 0.3509 0.3509 3.9141 3.9141 4.0497 4.0497 4.2950 4.2950 9.5650 9.5650 11.9626 11.9626 13.0722 13.0722 13.5020 13.5020 k = 0.0000 0.2561-0.0000 ( 2000 PWs) bands (ev): -8.3383 -8.3383 -5.7351 -5.7351 -5.7165 -5.7165 -3.6008 -3.6008 -3.5640 -3.5640 -3.4658 -3.4658 0.3170 0.3170 3.9333 3.9333 4.0658 4.0658 4.3423 4.3423 9.4104 9.4104 11.9066 11.9066 13.0194 13.0194 13.5354 13.5354 k = 0.0000 0.2683-0.0000 ( 2000 PWs) bands (ev): -8.3288 -8.3288 -5.7353 -5.7353 -5.7155 -5.7155 -3.6012 -3.6012 -3.5617 -3.5617 -3.4678 -3.4678 0.2835 0.2835 3.9523 3.9523 4.0819 4.0819 4.3918 4.3918 9.2563 9.2563 11.8521 11.8521 12.9669 12.9669 13.5699 13.5699 k = 0.0000 0.2805-0.0000 ( 2004 PWs) bands (ev): -8.3193 -8.3193 -5.7355 -5.7355 -5.7145 -5.7145 -3.6017 -3.6017 -3.5593 -3.5593 -3.4697 -3.4697 0.2505 0.2505 3.9712 3.9712 4.0980 4.0980 4.4436 4.4436 9.1034 9.1034 11.7992 11.7992 12.9152 12.9152 13.6052 13.6052 k = 0.0000 0.2927-0.0000 ( 2000 PWs) bands (ev): -8.3098 -8.3098 -5.7357 -5.7357 -5.7135 -5.7135 -3.6022 -3.6022 -3.5571 -3.5571 -3.4716 -3.4716 0.2184 0.2184 3.9898 3.9898 4.1139 4.1139 4.4975 4.4975 8.9520 8.9520 11.7479 11.7479 12.8645 12.8645 13.6413 13.6413 k = 0.0000 0.3049-0.0000 ( 2000 PWs) bands (ev): -8.3006 -8.3006 -5.7358 -5.7358 -5.7126 -5.7126 -3.6027 -3.6027 -3.5549 -3.5549 -3.4733 -3.4733 0.1871 0.1871 4.0080 4.0080 4.1296 4.1296 4.5533 4.5533 8.8027 8.8027 11.6985 11.6985 12.8150 12.8150 13.6780 13.6780 k = 0.0000 0.3171-0.0000 ( 2004 PWs) bands (ev): -8.2915 -8.2915 -5.7360 -5.7360 -5.7118 -5.7118 -3.6032 -3.6032 -3.5528 -3.5528 -3.4750 -3.4750 0.1570 0.1570 4.0257 4.0257 4.1450 4.1450 4.6110 4.6110 8.6559 8.6559 11.6510 11.6510 12.7671 12.7671 13.7150 13.7150 k = 0.0000 0.3293-0.0000 ( 2012 PWs) bands (ev): -8.2827 -8.2827 -5.7362 -5.7362 -5.7109 -5.7109 -3.6037 -3.6037 -3.5507 -3.5507 -3.4766 -3.4766 0.1280 0.1280 4.0428 4.0428 4.1599 4.1599 4.6702 4.6702 8.5122 8.5122 11.6056 11.6056 12.7210 12.7210 13.7522 13.7522 k = 0.0000 0.3415-0.0000 ( 2000 PWs) bands (ev): -8.2743 -8.2743 -5.7363 -5.7363 -5.7102 -5.7102 -3.6043 -3.6043 -3.5488 -3.5488 -3.4781 -3.4781 0.1005 0.1005 4.0593 4.0593 4.1743 4.1743 4.7308 4.7308 8.3719 8.3719 11.5625 11.5625 12.6770 12.6770 13.7892 13.7892 k = 0.0000 0.3537-0.0000 ( 2000 PWs) bands (ev): -8.2662 -8.2662 -5.7365 -5.7365 -5.7094 -5.7094 -3.6048 -3.6048 -3.5470 -3.5470 -3.4795 -3.4795 0.0745 0.0745 4.0751 4.0751 4.1880 4.1880 4.7924 4.7924 8.2357 8.2357 11.5219 11.5219 12.6352 12.6352 13.8259 13.8259 k = 0.0000 0.3659-0.0000 ( 2008 PWs) bands (ev): -8.2585 -8.2585 -5.7366 -5.7366 -5.7088 -5.7088 -3.6054 -3.6054 -3.5454 -3.5454 -3.4808 -3.4808 0.0501 0.0501 4.0899 4.0899 4.2010 4.2010 4.8547 4.8547 8.1042 8.1042 11.4838 11.4838 12.5960 12.5960 13.8619 13.8619 k = 0.0000 0.3780-0.0000 ( 2008 PWs) bands (ev): -8.2513 -8.2513 -5.7367 -5.7367 -5.7082 -5.7082 -3.6059 -3.6059 -3.5438 -3.5438 -3.4820 -3.4820 0.0274 0.0274 4.1039 4.1039 4.2132 4.2132 4.9172 4.9172 7.9779 7.9779 11.4484 11.4484 12.5595 12.5595 13.8969 13.8969 k = 0.0000 0.3902-0.0000 ( 2008 PWs) bands (ev): -8.2446 -8.2446 -5.7369 -5.7369 -5.7076 -5.7076 -3.6064 -3.6064 -3.5424 -3.5424 -3.4830 -3.4830 0.0067 0.0067 4.1168 4.1168 4.2246 4.2246 4.9792 4.9792 7.8577 7.8577 11.4159 11.4159 12.5259 12.5259 13.9305 13.9305 k = 0.0000 0.4024-0.0000 ( 2012 PWs) bands (ev): -8.2385 -8.2385 -5.7370 -5.7370 -5.7072 -5.7072 -3.6069 -3.6069 -3.5411 -3.5411 -3.4840 -3.4840 -0.0122 -0.0122 4.1286 4.1286 4.2349 4.2349 5.0401 5.0401 7.7444 7.7444 11.3864 11.3864 12.4953 12.4953 13.9622 13.9622 k = 0.0000 0.4146-0.0000 ( 2004 PWs) bands (ev): -8.2331 -8.2331 -5.7371 -5.7371 -5.7067 -5.7067 -3.6073 -3.6073 -3.5400 -3.5400 -3.4848 -3.4848 -0.0290 -0.0290 4.1392 4.1392 4.2443 4.2443 5.0989 5.0989 7.6390 7.6390 11.3601 11.3601 12.4680 12.4680 13.9917 13.9917 k = 0.0000 0.4268-0.0000 ( 1996 PWs) bands (ev): -8.2282 -8.2282 -5.7372 -5.7372 -5.7063 -5.7063 -3.6077 -3.6077 -3.5390 -3.5390 -3.4856 -3.4856 -0.0437 -0.0437 4.1486 4.1486 4.2525 4.2525 5.1546 5.1546 7.5428 7.5428 11.3370 11.3370 12.4440 12.4440 14.0185 14.0185 k = 0.0000 0.4390-0.0000 ( 2000 PWs) bands (ev): -8.2241 -8.2241 -5.7372 -5.7372 -5.7060 -5.7060 -3.6081 -3.6081 -3.5382 -3.5382 -3.4862 -3.4862 -0.0563 -0.0563 4.1566 4.1566 4.2595 4.2595 5.2058 5.2058 7.4572 7.4572 11.3173 11.3173 12.4235 12.4235 14.0421 14.0421 k = 0.0000 0.4512-0.0000 ( 2004 PWs) bands (ev): -8.2206 -8.2206 -5.7373 -5.7373 -5.7058 -5.7058 -3.6084 -3.6084 -3.5375 -3.5375 -3.4867 -3.4867 -0.0666 -0.0666 4.1632 4.1632 4.2654 4.2654 5.2510 5.2510 7.3837 7.3837 11.3011 11.3011 12.4066 12.4066 14.0622 14.0622 k = 0.0000 0.4634-0.0000 ( 2004 PWs) bands (ev): -8.2179 -8.2179 -5.7373 -5.7373 -5.7056 -5.7056 -3.6086 -3.6086 -3.5370 -3.5370 -3.4871 -3.4871 -0.0747 -0.0747 4.1684 4.1684 4.2700 4.2700 5.2886 5.2886 7.3240 7.3240 11.2884 11.2884 12.3934 12.3934 14.0782 14.0782 k = 0.0000 0.4756-0.0000 ( 2004 PWs) bands (ev): -8.2160 -8.2160 -5.7374 -5.7374 -5.7054 -5.7054 -3.6088 -3.6088 -3.5366 -3.5366 -3.4873 -3.4873 -0.0805 -0.0805 4.1722 4.1722 4.2733 4.2733 5.3169 5.3169 7.2798 7.2798 11.2792 11.2792 12.3839 12.3839 14.0900 14.0900 k = 0.0000 0.4878-0.0000 ( 2000 PWs) bands (ev): -8.2148 -8.2148 -5.7374 -5.7374 -5.7053 -5.7053 -3.6089 -3.6089 -3.5364 -3.5364 -3.4875 -3.4875 -0.0840 -0.0840 4.1745 4.1745 4.2753 4.2753 5.3346 5.3346 7.2527 7.2527 11.2738 11.2738 12.3782 12.3782 14.0972 14.0972 k = 0.0000 0.5000-0.0000 ( 1984 PWs) bands (ev): -8.2144 -8.2144 -5.7374 -5.7374 -5.7053 -5.7053 -3.6089 -3.6089 -3.5363 -3.5363 -3.4876 -3.4876 -0.0852 -0.0852 4.1752 4.1752 4.2760 4.2760 5.3407 5.3407 7.2435 7.2435 11.2719 11.2719 12.3763 12.3763 14.0996 14.0996 k = 0.0000 0.5000-0.0000 ( 1984 PWs) bands (ev): -8.2144 -8.2144 -5.7374 -5.7374 -5.7053 -5.7053 -3.6089 -3.6089 -3.5363 -3.5363 -3.4876 -3.4876 -0.0852 -0.0852 4.1752 4.1752 4.2760 4.2760 5.3407 5.3407 7.2435 7.2435 11.2719 11.2719 12.3763 12.3763 14.0996 14.0996 k = 0.0122 0.5000-0.0000 ( 2002 PWs) bands (ev): -8.2143 -8.2143 -5.7373 -5.7373 -5.7052 -5.7052 -3.6088 -3.6088 -3.5362 -3.5362 -3.4876 -3.4876 -0.0838 -0.0838 4.1730 4.1730 4.2737 4.2737 5.3381 5.3381 7.2486 7.2486 11.2708 11.2708 12.3743 12.3743 14.1020 14.1020 k = 0.0244 0.5000-0.0000 ( 2006 PWs) bands (ev): -8.2138 -8.2138 -5.7372 -5.7372 -5.7050 -5.7050 -3.6084 -3.6084 -3.5358 -3.5358 -3.4877 -3.4877 -0.0798 -0.0798 4.1656 4.1656 4.2675 4.2675 5.3303 5.3303 7.2638 7.2638 11.2673 11.2673 12.3688 12.3688 14.1094 14.1094 k = 0.0366 0.5000-0.0000 ( 2006 PWs) bands (ev): -8.2131 -8.2131 -5.7369 -5.7369 -5.7046 -5.7046 -3.6078 -3.6078 -3.5352 -3.5352 -3.4878 -3.4878 -0.0731 -0.0731 4.1516 4.1516 4.2594 4.2594 5.3174 5.3174 7.2889 7.2889 11.2612 11.2612 12.3602 12.3602 14.1215 14.1215 k = 0.0488 0.5000-0.0000 ( 2010 PWs) bands (ev): -8.2121 -8.2121 -5.7365 -5.7365 -5.7041 -5.7041 -3.6070 -3.6070 -3.5343 -3.5343 -3.4880 -3.4880 -0.0637 -0.0637 4.1292 4.1292 4.2516 4.2516 5.2994 5.2994 7.3232 7.3232 11.2524 11.2524 12.3495 12.3495 14.1382 14.1382 k = 0.0610 0.5000-0.0000 ( 2010 PWs) bands (ev): -8.2108 -8.2108 -5.7360 -5.7360 -5.7034 -5.7034 -3.6060 -3.6060 -3.5331 -3.5331 -3.4883 -3.4883 -0.0517 -0.0517 4.0976 4.0976 4.2455 4.2455 5.2762 5.2762 7.3660 7.3660 11.2403 11.2403 12.3378 12.3378 14.1594 14.1594 k = 0.0732 0.5000-0.0000 ( 2006 PWs) bands (ev): -8.2092 -8.2092 -5.7354 -5.7354 -5.7025 -5.7025 -3.6048 -3.6048 -3.5317 -3.5317 -3.4886 -3.4886 -0.0369 -0.0369 4.0573 4.0573 4.2413 4.2413 5.2481 5.2481 7.4168 7.4168 11.2247 11.2247 12.3265 12.3265 14.1848 14.1848 k = 0.0854 0.5000-0.0000 ( 2006 PWs) bands (ev): -8.2073 -8.2073 -5.7348 -5.7348 -5.7014 -5.7014 -3.6034 -3.6034 -3.5300 -3.5300 -3.4889 -3.4889 -0.0195 -0.0195 4.0096 4.0096 4.2387 4.2387 5.2149 5.2149 7.4745 7.4745 11.2051 11.2051 12.3169 12.3169 14.2140 14.2140 k = 0.0976 0.5000-0.0000 ( 2006 PWs) bands (ev): -8.2052 -8.2052 -5.7341 -5.7341 -5.7001 -5.7001 -3.6019 -3.6019 -3.5280 -3.5280 -3.4893 -3.4893 0.0007 0.0007 3.9557 3.9557 4.2372 4.2372 5.1769 5.1769 7.5385 7.5385 11.1813 11.1813 12.3102 12.3102 14.2466 14.2466 k = 0.1098 0.5000-0.0000 ( 2010 PWs) bands (ev): -8.2029 -8.2029 -5.7334 -5.7334 -5.6987 -5.6987 -3.6002 -3.6002 -3.5257 -3.5257 -3.4897 -3.4897 0.0235 0.0235 3.8967 3.8967 4.2364 4.2364 5.1340 5.1340 7.6079 7.6079 11.1532 11.1532 12.3076 12.3076 14.2820 14.2820 k = 0.1220 0.5000-0.0000 ( 2010 PWs) bands (ev): -8.2003 -8.2003 -5.7327 -5.7327 -5.6970 -5.6970 -3.5985 -3.5985 -3.5232 -3.5232 -3.4901 -3.4901 0.0491 0.0491 3.8337 3.8337 4.2361 4.2361 5.0863 5.0863 7.6820 7.6820 11.1209 11.1209 12.3100 12.3100 14.3198 14.3198 k = 0.1341 0.5000-0.0000 ( 2010 PWs) bands (ev): -8.1975 -8.1975 -5.7319 -5.7319 -5.6952 -5.6952 -3.5967 -3.5967 -3.5204 -3.5204 -3.4905 -3.4905 0.0774 0.0774 3.7675 3.7675 4.2362 4.2362 5.0339 5.0339 7.7600 7.7600 11.0847 11.0847 12.3178 12.3178 14.3591 14.3591 k = 0.1463 0.5000-0.0000 ( 2014 PWs) bands (ev): -8.1945 -8.1945 -5.7312 -5.7312 -5.6931 -5.6931 -3.5948 -3.5948 -3.5174 -3.5174 -3.4909 -3.4909 0.1085 0.1085 3.6988 3.6988 4.2366 4.2366 4.9770 4.9770 7.8413 7.8413 11.0452 11.0452 12.3314 12.3314 14.3991 14.3991 k = 0.1585 0.5000-0.0000 ( 2006 PWs) bands (ev): -8.1913 -8.1913 -5.7305 -5.7305 -5.6909 -5.6909 -3.5929 -3.5929 -3.5141 -3.5141 -3.4912 -3.4912 0.1422 0.1422 3.6284 3.6284 4.2372 4.2372 4.9156 4.9156 7.9252 7.9252 11.0029 11.0029 12.3507 12.3507 14.4389 14.4389 k = 0.1707 0.5000-0.0000 ( 2006 PWs) bands (ev): -8.1880 -8.1880 -5.7299 -5.7299 -5.6885 -5.6885 -3.5910 -3.5910 -3.5107 -3.5107 -3.4915 -3.4915 0.1787 0.1787 3.5568 3.5568 4.2379 4.2379 4.8499 4.8499 8.0113 8.0113 10.9586 10.9586 12.3759 12.3759 14.4775 14.4775 k = 0.1829 0.5000-0.0000 ( 2010 PWs) bands (ev): -8.1845 -8.1845 -5.7292 -5.7292 -5.6859 -5.6859 -3.5892 -3.5892 -3.5072 -3.5072 -3.4916 -3.4916 0.2180 0.2180 3.4846 3.4846 4.2387 4.2387 4.7800 4.7800 8.0990 8.0990 10.9130 10.9130 12.4065 12.4065 14.5137 14.5137 k = 0.1951 0.5000-0.0000 ( 2006 PWs) bands (ev): -8.1809 -8.1809 -5.7287 -5.7287 -5.6831 -5.6831 -3.5874 -3.5874 -3.5038 -3.5038 -3.4913 -3.4913 0.2600 0.2600 3.4122 3.4122 4.2396 4.2396 4.7062 4.7062 8.1879 8.1879 10.8669 10.8669 12.4422 12.4422 14.5462 14.5462 k = 0.2073 0.5000-0.0000 ( 2004 PWs) bands (ev): -8.1772 -8.1772 -5.7281 -5.7281 -5.6803 -5.6803 -3.5856 -3.5856 -3.5009 -3.5009 -3.4903 -3.4903 0.3048 0.3048 3.3400 3.3400 4.2403 4.2403 4.6288 4.6288 8.2774 8.2774 10.8210 10.8210 12.4829 12.4829 14.5739 14.5739 k = 0.2195 0.5000-0.0000 ( 2002 PWs) bands (ev): -8.1734 -8.1734 -5.7276 -5.7276 -5.6773 -5.6773 -3.5839 -3.5839 -3.4990 -3.4990 -3.4881 -3.4881 0.3523 0.3523 3.2685 3.2685 4.2408 4.2408 4.5479 4.5479 8.3672 8.3672 10.7759 10.7759 12.5280 12.5280 14.5954 14.5954 k = 0.2317 0.5000-0.0000 ( 2006 PWs) bands (ev): -8.1695 -8.1695 -5.7271 -5.7271 -5.6742 -5.6742 -3.5822 -3.5822 -3.4981 -3.4981 -3.4847 -3.4847 0.4025 0.4025 3.1979 3.1979 4.2407 4.2407 4.4643 4.4643 8.4569 8.4569 10.7322 10.7322 12.5773 12.5773 14.6096 14.6096 k = 0.2439 0.5000-0.0000 ( 1998 PWs) bands (ev): -8.1656 -8.1656 -5.7267 -5.7267 -5.6711 -5.6711 -3.5807 -3.5807 -3.4978 -3.4978 -3.4806 -3.4806 0.4555 0.4555 3.1286 3.1286 4.2386 4.2386 4.3795 4.3795 8.5460 8.5460 10.6905 10.6905 12.6304 12.6304 14.6156 14.6156 k = 0.2561 0.5000-0.0000 ( 1998 PWs) bands (ev): -8.1617 -8.1617 -5.7263 -5.7263 -5.6679 -5.6679 -3.5792 -3.5792 -3.4978 -3.4978 -3.4761 -3.4761 0.5112 0.5112 3.0610 3.0610 4.2266 4.2266 4.3016 4.3016 8.6340 8.6340 10.6511 10.6511 12.6870 12.6870 14.6127 14.6127 k = 0.2683 0.5000-0.0000 ( 2006 PWs) bands (ev): -8.1578 -8.1578 -5.7259 -5.7259 -5.6647 -5.6647 -3.5778 -3.5778 -3.4979 -3.4979 -3.4713 -3.4713 0.5696 0.5696 2.9951 2.9951 4.1703 4.1703 4.2652 4.2652 8.7207 8.7207 10.6147 10.6147 12.7466 12.7466 14.6003 14.6003 k = 0.2805 0.5000-0.0000 ( 2006 PWs) bands (ev): -8.1540 -8.1540 -5.7255 -5.7255 -5.6615 -5.6615 -3.5765 -3.5765 -3.4980 -3.4980 -3.4664 -3.4664 0.6307 0.6307 2.9314 2.9314 4.0814 4.0814 4.2589 4.2589 8.8054 8.8054 10.5815 10.5815 12.8090 12.8090 14.5787 14.5787 k = 0.2927 0.5000-0.0000 ( 2006 PWs) bands (ev): -8.1502 -8.1502 -5.7252 -5.7252 -5.6583 -5.6583 -3.5753 -3.5753 -3.4982 -3.4982 -3.4615 -3.4615 0.6945 0.6945 2.8699 2.8699 3.9849 3.9849 4.2579 4.2579 8.8878 8.8878 10.5518 10.5518 12.8739 12.8739 14.5480 14.5480 k = 0.3049 0.5000-0.0000 ( 2018 PWs) bands (ev): -8.1464 -8.1464 -5.7249 -5.7249 -5.6552 -5.6552 -3.5742 -3.5742 -3.4984 -3.4984 -3.4567 -3.4567 0.7609 0.7609 2.8109 2.8109 3.8851 3.8851 4.2581 4.2581 8.9672 8.9672 10.5262 10.5262 12.9407 12.9407 14.5091 14.5091 k = 0.3171 0.5000-0.0000 ( 2018 PWs) bands (ev): -8.1428 -8.1428 -5.7247 -5.7247 -5.6521 -5.6521 -3.5731 -3.5731 -3.4985 -3.4985 -3.4519 -3.4519 0.8299 0.8299 2.7546 2.7546 3.7830 3.7830 4.2588 4.2588 9.0432 9.0432 10.5048 10.5048 13.0092 13.0092 14.4628 14.4628 k = 0.3293 0.5000-0.0000 ( 2016 PWs) bands (ev): -8.1393 -8.1393 -5.7244 -5.7244 -5.6491 -5.6491 -3.5721 -3.5721 -3.4986 -3.4986 -3.4472 -3.4472 0.9015 0.9015 2.7012 2.7012 3.6792 3.6792 4.2598 4.2598 9.1151 9.1151 10.4879 10.4879 13.0790 13.0790 14.4105 14.4105 k = 0.3415 0.5000-0.0000 ( 2016 PWs) bands (ev): -8.1359 -8.1359 -5.7242 -5.7242 -5.6463 -5.6463 -3.5713 -3.5713 -3.4987 -3.4987 -3.4427 -3.4427 0.9756 0.9756 2.6508 2.6508 3.5740 3.5740 4.2608 4.2608 9.1824 9.1824 10.4758 10.4758 13.1494 13.1494 14.3534 14.3534 k = 0.3537 0.5000-0.0000 ( 2010 PWs) bands (ev): -8.1327 -8.1327 -5.7240 -5.7240 -5.6435 -5.6435 -3.5705 -3.5705 -3.4988 -3.4988 -3.4383 -3.4383 1.0521 1.0521 2.6035 2.6035 3.4678 3.4678 4.2619 4.2619 9.2445 9.2445 10.4685 10.4685 13.2200 13.2200 14.2928 14.2928 k = 0.3659 0.5000-0.0000 ( 2010 PWs) bands (ev): -8.1297 -8.1297 -5.7238 -5.7238 -5.6409 -5.6409 -3.5697 -3.5697 -3.4988 -3.4988 -3.4342 -3.4342 1.1310 1.1310 2.5595 2.5595 3.3608 3.3608 4.2629 4.2629 9.3010 9.3010 10.4661 10.4661 13.2903 13.2903 14.2303 14.2303 k = 0.3780 0.5000-0.0000 ( 2010 PWs) bands (ev): -8.1269 -8.1269 -5.7236 -5.7236 -5.6385 -5.6385 -3.5691 -3.5691 -3.4989 -3.4989 -3.4303 -3.4303 1.2121 1.2121 2.5189 2.5189 3.2534 3.2534 4.2639 4.2639 9.3514 9.3514 10.4684 10.4684 13.3594 13.3594 14.1672 14.1672 k = 0.3902 0.5000-0.0000 ( 2014 PWs) bands (ev): -8.1242 -8.1242 -5.7235 -5.7235 -5.6362 -5.6362 -3.5685 -3.5685 -3.4989 -3.4989 -3.4267 -3.4267 1.2954 1.2954 2.4818 2.4818 3.1459 3.1459 4.2648 4.2648 9.3957 9.3957 10.4750 10.4750 13.4267 13.4267 14.1050 14.1050 k = 0.4024 0.5000-0.0000 ( 2012 PWs) bands (ev): -8.1219 -8.1219 -5.7234 -5.7234 -5.6341 -5.6341 -3.5680 -3.5680 -3.4989 -3.4989 -3.4234 -3.4234 1.3807 1.3807 2.4482 2.4482 3.0385 3.0385 4.2657 4.2657 9.4338 9.4338 10.4852 10.4852 13.4912 13.4912 14.0450 14.0450 k = 0.4146 0.5000-0.0000 ( 2010 PWs) bands (ev): -8.1197 -8.1197 -5.7232 -5.7232 -5.6323 -5.6323 -3.5676 -3.5676 -3.4988 -3.4988 -3.4204 -3.4204 1.4678 1.4678 2.4183 2.4183 2.9317 2.9317 4.2665 4.2665 9.4658 9.4658 10.4982 10.4982 13.5519 13.5519 13.9885 13.9885 k = 0.4268 0.5000-0.0000 ( 2010 PWs) bands (ev): -8.1178 -8.1178 -5.7231 -5.7231 -5.6306 -5.6306 -3.5672 -3.5672 -3.4988 -3.4988 -3.4178 -3.4178 1.5564 1.5564 2.3921 2.3921 2.8259 2.8259 4.2672 4.2672 9.4921 9.4921 10.5129 10.5129 13.6077 13.6077 13.9369 13.9369 k = 0.4390 0.5000-0.0000 ( 2002 PWs) bands (ev): -8.1162 -8.1162 -5.7231 -5.7231 -5.6292 -5.6292 -3.5669 -3.5669 -3.4988 -3.4988 -3.4156 -3.4156 1.6461 1.6461 2.3695 2.3695 2.7218 2.7218 4.2678 4.2678 9.5133 9.5133 10.5282 10.5282 13.6571 13.6571 13.8915 13.8915 k = 0.4512 0.5000-0.0000 ( 2008 PWs) bands (ev): -8.1149 -8.1149 -5.7230 -5.7230 -5.6281 -5.6281 -3.5666 -3.5666 -3.4987 -3.4987 -3.4137 -3.4137 1.7361 1.7361 2.3502 2.3502 2.6205 2.6205 4.2683 4.2683 9.5297 9.5297 10.5427 10.5427 13.6986 13.6986 13.8540 13.8540 k = 0.4634 0.5000-0.0000 ( 2008 PWs) bands (ev): -8.1139 -8.1139 -5.7229 -5.7229 -5.6272 -5.6272 -3.5664 -3.5664 -3.4987 -3.4987 -3.4122 -3.4122 1.8248 1.8248 2.3337 2.3337 2.5244 2.5244 4.2687 4.2687 9.5418 9.5418 10.5554 10.5554 13.7295 13.7295 13.8265 13.8265 k = 0.4756 0.5000-0.0000 ( 2000 PWs) bands (ev): -8.1131 -8.1131 -5.7229 -5.7229 -5.6265 -5.6265 -3.5663 -3.5663 -3.4987 -3.4987 -3.4112 -3.4112 1.9087 1.9087 2.3176 2.3176 2.4395 2.4395 4.2690 4.2690 9.5502 9.5502 10.5652 10.5652 13.7464 13.7464 13.8124 13.8124 k = 0.4878 0.5000-0.0000 ( 2000 PWs) bands (ev): -8.1127 -8.1127 -5.7229 -5.7229 -5.6261 -5.6261 -3.5662 -3.5662 -3.4987 -3.4987 -3.4106 -3.4106 1.9783 1.9783 2.2961 2.2961 2.3811 2.3811 4.2692 4.2692 9.5551 9.5551 10.5715 10.5715 13.7500 13.7500 13.8107 13.8107 k = 0.5000 0.5000-0.0000 ( 2000 PWs) bands (ev): -8.1125 -8.1125 -5.7229 -5.7229 -5.6260 -5.6260 -3.5662 -3.5662 -3.4987 -3.4987 -3.4103 -3.4103 2.0089 2.0089 2.2799 2.2799 2.3632 2.3632 4.2693 4.2693 9.5567 9.5567 10.5736 10.5736 13.7495 13.7495 13.8118 13.8118 k = 0.5000 0.5000-0.0000 ( 2000 PWs) bands (ev): -8.1125 -8.1125 -5.7229 -5.7229 -5.6260 -5.6260 -3.5662 -3.5662 -3.4987 -3.4987 -3.4103 -3.4103 2.0089 2.0089 2.2799 2.2799 2.3632 2.3632 4.2693 4.2693 9.5567 9.5567 10.5736 10.5736 13.7495 13.7495 13.8118 13.8118 k = 0.4914 0.4914-0.0000 ( 2000 PWs) bands (ev): -8.1127 -8.1127 -5.7229 -5.7229 -5.6261 -5.6261 -3.5662 -3.5662 -3.4987 -3.4987 -3.4106 -3.4106 1.9784 1.9784 2.2957 2.2957 2.3814 2.3814 4.2692 4.2692 9.5551 9.5551 10.5715 10.5715 13.7500 13.7500 13.8107 13.8107 k = 0.4828 0.4828-0.0000 ( 2002 PWs) bands (ev): -8.1131 -8.1131 -5.7229 -5.7229 -5.6265 -5.6265 -3.5663 -3.5663 -3.4987 -3.4987 -3.4112 -3.4112 1.9096 1.9096 2.3142 2.3142 2.4420 2.4420 4.2690 4.2690 9.5502 9.5502 10.5652 10.5652 13.7465 13.7465 13.8124 13.8124 k = 0.4741 0.4741-0.0000 ( 2006 PWs) bands (ev): -8.1139 -8.1139 -5.7229 -5.7229 -5.6272 -5.6272 -3.5664 -3.5664 -3.4987 -3.4987 -3.4122 -3.4122 1.8274 1.8274 2.3250 2.3250 2.5305 2.5305 4.2687 4.2687 9.5421 9.5421 10.5553 10.5553 13.7298 13.7298 13.8266 13.8266 k = 0.4655 0.4655-0.0000 ( 2007 PWs) bands (ev): -8.1149 -8.1149 -5.7230 -5.7230 -5.6281 -5.6281 -3.5666 -3.5666 -3.4987 -3.4987 -3.4137 -3.4137 1.7415 1.7415 2.3343 2.3343 2.6309 2.6309 4.2683 4.2683 9.5304 9.5304 10.5425 10.5425 13.6994 13.6994 13.8540 13.8540 k = 0.4569 0.4569-0.0000 ( 2003 PWs) bands (ev): -8.1163 -8.1163 -5.7231 -5.7231 -5.6292 -5.6292 -3.5669 -3.5669 -3.4988 -3.4988 -3.4156 -3.4156 1.6554 1.6554 2.3443 2.3443 2.7374 2.7374 4.2677 4.2677 9.5150 9.5150 10.5276 10.5276 13.6591 13.6591 13.8915 13.8915 k = 0.4483 0.4483-0.0000 ( 1997 PWs) bands (ev): -8.1180 -8.1180 -5.7231 -5.7231 -5.6306 -5.6306 -3.5672 -3.5672 -3.4988 -3.4988 -3.4178 -3.4178 1.5706 1.5706 2.3558 2.3558 2.8476 2.8476 4.2669 4.2669 9.4958 9.4958 10.5116 10.5116 13.6114 13.6114 13.9369 13.9369 k = 0.4397 0.4397-0.0000 ( 2005 PWs) bands (ev): -8.1200 -8.1200 -5.7232 -5.7232 -5.6323 -5.6323 -3.5675 -3.5675 -3.4988 -3.4988 -3.4204 -3.4204 1.4878 1.4878 2.3689 2.3689 2.9603 2.9603 4.2659 4.2659 9.4725 9.4725 10.4956 10.4956 13.5584 13.5584 13.9886 13.9886 k = 0.4310 0.4310-0.0000 ( 2005 PWs) bands (ev): -8.1224 -8.1224 -5.7233 -5.7233 -5.6341 -5.6341 -3.5679 -3.5679 -3.4988 -3.4988 -3.4234 -3.4234 1.4076 1.4076 2.3838 2.3838 3.0747 3.0747 4.2647 4.2647 9.4452 9.4452 10.4807 10.4807 13.5015 13.5015 14.0454 14.0454 k = 0.4224 0.4224-0.0000 ( 2009 PWs) bands (ev): -8.1250 -8.1250 -5.7235 -5.7235 -5.6362 -5.6362 -3.5684 -3.5684 -3.4988 -3.4988 -3.4267 -3.4267 1.3302 1.3302 2.4005 2.4005 3.1903 3.1903 4.2633 4.2633 9.4139 9.4139 10.4676 10.4676 13.4420 13.4420 14.1062 14.1062 k = 0.4138 0.4138-0.0000 ( 2005 PWs) bands (ev): -8.1281 -8.1281 -5.7236 -5.7236 -5.6384 -5.6384 -3.5688 -3.5688 -3.4988 -3.4988 -3.4303 -3.4303 1.2557 1.2557 2.4189 2.4189 3.3066 3.3066 4.2616 4.2616 9.3789 9.3789 10.4572 10.4572 13.3811 13.3811 14.1698 14.1698 k = 0.4052 0.4052-0.0000 ( 2001 PWs) bands (ev): -8.1314 -8.1314 -5.7237 -5.7237 -5.6409 -5.6409 -3.5694 -3.5694 -3.4988 -3.4988 -3.4343 -3.4343 1.1843 1.1843 2.4390 2.4390 3.4230 3.4230 4.2595 4.2595 9.3407 9.3407 10.4499 10.4499 13.3197 13.3197 14.2352 14.2352 k = 0.3966 0.3966-0.0000 ( 2005 PWs) bands (ev): -8.1352 -8.1352 -5.7239 -5.7239 -5.6435 -5.6435 -3.5700 -3.5700 -3.4987 -3.4987 -3.4384 -3.4384 1.1162 1.1162 2.4609 2.4609 3.5392 3.5392 4.2571 4.2571 9.2998 9.2998 10.4461 10.4461 13.2585 13.2585 14.3014 14.3014 k = 0.3879 0.3879-0.0000 ( 2009 PWs) bands (ev): -8.1393 -8.1393 -5.7241 -5.7241 -5.6462 -5.6462 -3.5706 -3.5706 -3.4986 -3.4986 -3.4429 -3.4429 1.0513 1.0513 2.4843 2.4843 3.6544 3.6544 4.2544 4.2544 9.2571 9.2571 10.4460 10.4460 13.1984 13.1984 14.3674 14.3674 k = 0.3793 0.3793-0.0000 ( 2021 PWs) bands (ev): -8.1438 -8.1438 -5.7242 -5.7242 -5.6491 -5.6491 -3.5712 -3.5712 -3.4985 -3.4985 -3.4475 -3.4475 0.9897 0.9897 2.5093 2.5093 3.7683 3.7683 4.2513 4.2513 9.2133 9.2133 10.4496 10.4496 13.1400 13.1400 14.4323 14.4323 k = 0.3707 0.3707-0.0000 ( 2021 PWs) bands (ev): -8.1486 -8.1486 -5.7244 -5.7244 -5.6521 -5.6521 -3.5719 -3.5719 -3.4983 -3.4983 -3.4523 -3.4523 0.9315 0.9315 2.5359 2.5359 3.8799 3.8799 4.2480 4.2480 9.1695 9.1695 10.4569 10.4569 13.0836 13.0836 14.4950 14.4950 k = 0.3621 0.3621-0.0000 ( 2015 PWs) bands (ev): -8.1539 -8.1539 -5.7246 -5.7246 -5.6551 -5.6551 -3.5726 -3.5726 -3.4980 -3.4980 -3.4573 -3.4573 0.8768 0.8768 2.5639 2.5639 3.9885 3.9885 4.2448 4.2448 9.1268 9.1268 10.4677 10.4677 13.0299 13.0299 14.5548 14.5548 k = 0.3534 0.3534-0.0000 ( 2009 PWs) bands (ev): -8.1595 -8.1595 -5.7248 -5.7248 -5.6583 -5.6583 -3.5734 -3.5734 -3.4978 -3.4978 -3.4623 -3.4623 0.8254 0.8254 2.5932 2.5932 4.0920 4.0920 4.2427 4.2427 9.0863 9.0863 10.4820 10.4820 12.9791 12.9791 14.6106 14.6106 k = 0.3448 0.3448-0.0000 ( 2011 PWs) bands (ev): -8.1655 -8.1655 -5.7250 -5.7250 -5.6615 -5.6615 -3.5742 -3.5742 -3.4975 -3.4975 -3.4674 -3.4674 0.7775 0.7775 2.6239 2.6239 4.1809 4.1809 4.2507 4.2507 9.0489 9.0489 10.4995 10.4995 12.9315 12.9315 14.6615 14.6615 k = 0.3362 0.3362-0.0000 ( 2011 PWs) bands (ev): -8.1719 -8.1719 -5.7253 -5.7253 -5.6647 -5.6647 -3.5750 -3.5750 -3.4973 -3.4973 -3.4725 -3.4725 0.7331 0.7331 2.6558 2.6558 4.2119 4.2119 4.3113 4.3113 9.0159 9.0159 10.5202 10.5202 12.8874 12.8874 14.7065 14.7065 k = 0.3276 0.3276-0.0000 ( 2011 PWs) bands (ev): -8.1787 -8.1787 -5.7255 -5.7255 -5.6680 -5.6680 -3.5758 -3.5758 -3.4971 -3.4971 -3.4774 -3.4774 0.6920 0.6920 2.6888 2.6888 4.2109 4.2109 4.3976 4.3976 8.9884 8.9884 10.5438 10.5438 12.8471 12.8471 14.7447 14.7447 k = 0.3190 0.3190-0.0000 ( 2011 PWs) bands (ev): -8.1859 -8.1859 -5.7257 -5.7257 -5.6713 -5.6713 -3.5766 -3.5766 -3.4973 -3.4973 -3.4819 -3.4819 0.6544 0.6544 2.7229 2.7229 4.2050 4.2050 4.4816 4.4816 8.9674 8.9674 10.5704 10.5704 12.8105 12.8105 14.7751 14.7751 k = 0.3103 0.3103-0.0000 ( 2011 PWs) bands (ev): -8.1934 -8.1934 -5.7260 -5.7260 -5.6745 -5.6745 -3.5775 -3.5775 -3.4983 -3.4983 -3.4855 -3.4855 0.6202 0.6202 2.7580 2.7580 4.1975 4.1975 4.5594 4.5594 8.9540 8.9540 10.5997 10.5997 12.7780 12.7780 14.7968 14.7968 k = 0.3017 0.3017-0.0000 ( 2011 PWs) bands (ev): -8.2013 -8.2013 -5.7262 -5.7262 -5.6777 -5.6777 -3.5783 -3.5783 -3.5007 -3.5007 -3.4876 -3.4876 0.5893 0.5893 2.7939 2.7939 4.1889 4.1889 4.6295 4.6295 8.9491 8.9491 10.6318 10.6318 12.7496 12.7496 14.8091 14.8091 k = 0.2931 0.2931-0.0000 ( 2007 PWs) bands (ev): -8.2095 -8.2095 -5.7265 -5.7265 -5.6809 -5.6809 -3.5792 -3.5792 -3.5045 -3.5045 -3.4882 -3.4882 0.5618 0.5618 2.8306 2.8306 4.1795 4.1795 4.6912 4.6912 8.9535 8.9535 10.6666 10.6666 12.7253 12.7253 14.8115 14.8115 k = 0.2845 0.2845-0.0000 ( 1997 PWs) bands (ev): -8.2180 -8.2180 -5.7267 -5.7267 -5.6840 -5.6840 -3.5800 -3.5800 -3.5090 -3.5090 -3.4878 -3.4878 0.5376 0.5376 2.8680 2.8680 4.1692 4.1692 4.7437 4.7437 8.9678 8.9678 10.7040 10.7040 12.7053 12.7053 14.8038 14.8038 k = 0.2759 0.2759-0.0000 ( 1989 PWs) bands (ev): -8.2269 -8.2269 -5.7270 -5.7270 -5.6871 -5.6871 -3.5809 -3.5809 -3.5138 -3.5138 -3.4870 -3.4870 0.5167 0.5167 2.9060 2.9060 4.1582 4.1582 4.7864 4.7864 8.9927 8.9927 10.7441 10.7441 12.6894 12.6894 14.7862 14.7862 k = 0.2672 0.2672-0.0000 ( 1989 PWs) bands (ev): -8.2360 -8.2360 -5.7272 -5.7272 -5.6901 -5.6901 -3.5818 -3.5818 -3.5187 -3.5187 -3.4859 -3.4859 0.4990 0.4990 2.9444 2.9444 4.1464 4.1464 4.8192 4.8192 9.0282 9.0282 10.7869 10.7869 12.6776 12.6776 14.7593 14.7593 k = 0.2586 0.2586-0.0000 ( 1989 PWs) bands (ev): -8.2454 -8.2454 -5.7275 -5.7275 -5.6930 -5.6930 -3.5826 -3.5826 -3.5236 -3.5236 -3.4846 -3.4846 0.4844 0.4844 2.9832 2.9832 4.1341 4.1341 4.8420 4.8420 9.0746 9.0746 10.8324 10.8324 12.6700 12.6700 14.7238 14.7238 k = 0.2500 0.2500-0.0000 ( 2003 PWs) bands (ev): -8.2550 -8.2550 -5.7278 -5.7278 -5.6958 -5.6958 -3.5835 -3.5835 -3.5284 -3.5284 -3.4831 -3.4831 0.4729 0.4729 3.0223 3.0223 4.1211 4.1211 4.8548 4.8548 9.1315 9.1315 10.8807 10.8807 12.6664 12.6664 14.6809 14.6809 k = 0.2414 0.2414-0.0000 ( 1993 PWs) bands (ev): -8.2648 -8.2648 -5.7280 -5.7280 -5.6985 -5.6985 -3.5844 -3.5844 -3.5331 -3.5331 -3.4814 -3.4814 0.4643 0.4643 3.0614 3.0614 4.1075 4.1075 4.8580 4.8580 9.1986 9.1986 10.9319 10.9319 12.6668 12.6668 14.6316 14.6316 k = 0.2328 0.2328-0.0000 ( 1993 PWs) bands (ev): -8.2748 -8.2748 -5.7283 -5.7283 -5.7011 -5.7011 -3.5852 -3.5852 -3.5377 -3.5377 -3.4797 -3.4797 0.4587 0.4587 3.1006 3.1006 4.0935 4.0935 4.8521 4.8521 9.2752 9.2752 10.9861 10.9861 12.6710 12.6710 14.5774 14.5774 k = 0.2241 0.2241-0.0000 ( 1997 PWs) bands (ev): -8.2849 -8.2849 -5.7285 -5.7285 -5.7036 -5.7036 -3.5860 -3.5860 -3.5422 -3.5422 -3.4778 -3.4778 0.4560 0.4560 3.1397 3.1397 4.0790 4.0790 4.8377 4.8377 9.3605 9.3605 11.0434 11.0434 12.6789 12.6789 14.5192 14.5192 k = 0.2155 0.2155-0.0000 ( 1999 PWs) bands (ev): -8.2951 -8.2951 -5.7288 -5.7288 -5.7060 -5.7060 -3.5868 -3.5868 -3.5465 -3.5465 -3.4758 -3.4758 0.4560 0.4560 3.1786 3.1786 4.0641 4.0641 4.8156 4.8156 9.4537 9.4537 11.1040 11.1040 12.6903 12.6903 14.4583 14.4583 k = 0.2069 0.2069-0.0000 ( 1999 PWs) bands (ev): -8.3053 -8.3053 -5.7291 -5.7291 -5.7083 -5.7083 -3.5876 -3.5876 -3.5506 -3.5506 -3.4738 -3.4738 0.4586 0.4586 3.2172 3.2172 4.0489 4.0489 4.7865 4.7865 9.5536 9.5536 11.1680 11.1680 12.7051 12.7051 14.3955 14.3955 k = 0.1983 0.1983-0.0000 ( 1999 PWs) bands (ev): -8.3155 -8.3155 -5.7293 -5.7293 -5.7105 -5.7105 -3.5884 -3.5884 -3.5546 -3.5546 -3.4717 -3.4717 0.4637 0.4637 3.2552 3.2552 4.0336 4.0336 4.7513 4.7513 9.6592 9.6592 11.2357 11.2357 12.7232 12.7232 14.3318 14.3318 k = 0.1897 0.1897-0.0000 ( 1999 PWs) bands (ev): -8.3257 -8.3257 -5.7296 -5.7296 -5.7126 -5.7126 -3.5892 -3.5892 -3.5584 -3.5584 -3.4695 -3.4695 0.4712 0.4712 3.2927 3.2927 4.0180 4.0180 4.7108 4.7108 9.7694 9.7694 11.3071 11.3071 12.7441 12.7441 14.2679 14.2679 k = 0.1810 0.1810-0.0000 ( 1997 PWs) bands (ev): -8.3359 -8.3359 -5.7298 -5.7298 -5.7145 -5.7145 -3.5899 -3.5899 -3.5620 -3.5620 -3.4673 -3.4673 0.4809 0.4809 3.3294 3.3294 4.0025 4.0025 4.6657 4.6657 9.8830 9.8830 11.3825 11.3825 12.7679 12.7679 14.2046 14.2046 k = 0.1724 0.1724-0.0000 ( 1995 PWs) bands (ev): -8.3459 -8.3459 -5.7301 -5.7301 -5.7163 -5.7163 -3.5906 -3.5906 -3.5655 -3.5655 -3.4650 -3.4650 0.4927 0.4927 3.3652 3.3652 3.9870 3.9870 4.6171 4.6171 9.9989 9.9989 11.4621 11.4621 12.7941 12.7941 14.1422 14.1422 k = 0.1638 0.1638-0.0000 ( 1995 PWs) bands (ev): -8.3557 -8.3557 -5.7303 -5.7303 -5.7180 -5.7180 -3.5912 -3.5912 -3.5687 -3.5687 -3.4628 -3.4628 0.5064 0.5064 3.4000 3.4000 3.9716 3.9716 4.5654 4.5654 10.1160 10.1160 11.5460 11.5460 12.8225 12.8225 14.0815 14.0815 k = 0.1552 0.1552-0.0000 ( 1997 PWs) bands (ev): -8.3654 -8.3654 -5.7305 -5.7305 -5.7197 -5.7197 -3.5919 -3.5919 -3.5718 -3.5718 -3.4605 -3.4605 0.5219 0.5219 3.4337 3.4337 3.9565 3.9565 4.5116 4.5116 10.2333 10.2333 11.6341 11.6341 12.8529 12.8529 14.0228 14.0228 k = 0.1466 0.1466-0.0000 ( 1997 PWs) bands (ev): -8.3748 -8.3748 -5.7308 -5.7308 -5.7212 -5.7212 -3.5925 -3.5925 -3.5747 -3.5747 -3.4583 -3.4583 0.5389 0.5389 3.4660 3.4660 3.9417 3.9417 4.4564 4.4564 10.3497 10.3497 11.7266 11.7266 12.8848 12.8848 13.9665 13.9665 k = 0.1379 0.1379-0.0000 ( 1997 PWs) bands (ev): -8.3839 -8.3839 -5.7310 -5.7310 -5.7226 -5.7226 -3.5931 -3.5931 -3.5774 -3.5774 -3.4561 -3.4561 0.5573 0.5573 3.4968 3.4968 3.9274 3.9274 4.4003 4.4003 10.4645 10.4645 11.8232 11.8232 12.9179 12.9179 13.9131 13.9131 k = 0.1293 0.1293-0.0000 ( 2005 PWs) bands (ev): -8.3927 -8.3927 -5.7312 -5.7312 -5.7239 -5.7239 -3.5936 -3.5936 -3.5799 -3.5799 -3.4539 -3.4539 0.5767 0.5767 3.5259 3.5259 3.9138 3.9138 4.3441 4.3441 10.5767 10.5767 11.9236 11.9236 12.9519 12.9519 13.8631 13.8631 k = 0.1207 0.1207-0.0000 ( 2005 PWs) bands (ev): -8.4012 -8.4012 -5.7314 -5.7314 -5.7251 -5.7251 -3.5941 -3.5941 -3.5822 -3.5822 -3.4518 -3.4518 0.5970 0.5970 3.5531 3.5531 3.9008 3.9008 4.2884 4.2884 10.6858 10.6858 12.0272 12.0272 12.9861 12.9861 13.8168 13.8168 k = 0.1121 0.1121-0.0000 ( 2005 PWs) bands (ev): -8.4092 -8.4092 -5.7316 -5.7316 -5.7262 -5.7262 -3.5946 -3.5946 -3.5844 -3.5844 -3.4498 -3.4498 0.6179 0.6179 3.5781 3.5781 3.8888 3.8888 4.2338 4.2338 10.7912 10.7912 12.1334 12.1334 13.0199 13.0199 13.7750 13.7750 k = 0.1034 0.1034-0.0000 ( 2003 PWs) bands (ev): -8.4168 -8.4168 -5.7317 -5.7317 -5.7272 -5.7272 -3.5950 -3.5950 -3.5864 -3.5864 -3.4478 -3.4478 0.6390 0.6390 3.6008 3.6008 3.8779 3.8779 4.1810 4.1810 10.8923 10.8923 12.2411 12.2411 13.0526 13.0526 13.7382 13.7382 k = 0.0948 0.0948-0.0000 ( 2003 PWs) bands (ev): -8.4239 -8.4239 -5.7319 -5.7319 -5.7281 -5.7281 -3.5955 -3.5955 -3.5882 -3.5882 -3.4460 -3.4460 0.6602 0.6602 3.6207 3.6207 3.8683 3.8683 4.1305 4.1305 10.9890 10.9890 12.3494 12.3494 13.0832 13.0832 13.7074 13.7074 k = 0.0862 0.0862-0.0000 ( 2003 PWs) bands (ev): -8.4305 -8.4305 -5.7321 -5.7321 -5.7290 -5.7290 -3.5958 -3.5958 -3.5899 -3.5899 -3.4443 -3.4443 0.6811 0.6811 3.6375 3.6375 3.8602 3.8602 4.0829 4.0829 11.0807 11.0807 12.4567 12.4567 13.1107 13.1107 13.6835 13.6835 k = 0.0776 0.0776-0.0000 ( 1991 PWs) bands (ev): -8.4366 -8.4366 -5.7322 -5.7322 -5.7297 -5.7297 -3.5962 -3.5962 -3.5913 -3.5913 -3.4427 -3.4427 0.7014 0.7014 3.6510 3.6510 3.8539 3.8539 4.0389 4.0389 11.1670 11.1670 12.5618 12.5618 13.1336 13.1336 13.6675 13.6675 k = 0.0690 0.0690-0.0000 ( 1993 PWs) bands (ev): -8.4421 -8.4421 -5.7323 -5.7323 -5.7304 -5.7304 -3.5965 -3.5965 -3.5927 -3.5927 -3.4412 -3.4412 0.7207 0.7207 3.6607 3.6607 3.8496 3.8496 3.9989 3.9989 11.2476 11.2476 12.6630 12.6630 13.1511 13.1511 13.6604 13.6604 k = 0.0603 0.0603-0.0000 ( 1993 PWs) bands (ev): -8.4470 -8.4470 -5.7325 -5.7325 -5.7310 -5.7310 -3.5967 -3.5967 -3.5938 -3.5938 -3.4399 -3.4399 0.7387 0.7387 3.6667 3.6667 3.8473 3.8473 3.9636 3.9636 11.3219 11.3219 12.7590 12.7590 13.1624 13.1624 13.6622 13.6622 k = 0.0517 0.0517-0.0000 ( 1989 PWs) bands (ev): -8.4513 -8.4513 -5.7326 -5.7326 -5.7315 -5.7315 -3.5970 -3.5970 -3.5948 -3.5948 -3.4387 -3.4387 0.7552 0.7552 3.6692 3.6692 3.8468 3.8468 3.9332 3.9332 11.3891 11.3891 12.8483 12.8483 13.1677 13.1677 13.6719 13.6719 k = 0.0431 0.0431-0.0000 ( 1985 PWs) bands (ev): -8.4550 -8.4550 -5.7326 -5.7326 -5.7319 -5.7319 -3.5971 -3.5971 -3.5957 -3.5957 -3.4377 -3.4377 0.7697 0.7697 3.6687 3.6687 3.8476 3.8476 3.9081 3.9081 11.4485 11.4485 12.9296 12.9296 13.1681 13.1681 13.6877 13.6877 k = 0.0345 0.0345-0.0000 ( 1981 PWs) bands (ev): -8.4580 -8.4580 -5.7327 -5.7327 -5.7322 -5.7322 -3.5973 -3.5973 -3.5964 -3.5964 -3.4369 -3.4369 0.7820 0.7820 3.6662 3.6662 3.8493 3.8493 3.8881 3.8881 11.4991 11.4991 13.0016 13.0016 13.1652 13.1652 13.7067 13.7067 k = 0.0259 0.0259-0.0000 ( 1985 PWs) bands (ev): -8.4604 -8.4604 -5.7328 -5.7328 -5.7325 -5.7325 -3.5974 -3.5974 -3.5969 -3.5969 -3.4363 -3.4363 0.7919 0.7919 3.6628 3.6628 3.8512 3.8512 3.8730 3.8730 11.5398 11.5398 13.0626 13.0626 13.1606 13.1606 13.7257 13.7257 k = 0.0172 0.0172-0.0000 ( 1985 PWs) bands (ev): -8.4621 -8.4621 -5.7328 -5.7328 -5.7327 -5.7327 -3.5975 -3.5975 -3.5973 -3.5973 -3.4358 -3.4358 0.7991 0.7991 3.6595 3.6595 3.8529 3.8529 3.8626 3.8626 11.5698 11.5698 13.1101 13.1101 13.1561 13.1561 13.7418 13.7418 k = 0.0086 0.0086-0.0000 ( 2001 PWs) bands (ev): -8.4632 -8.4632 -5.7328 -5.7328 -5.7328 -5.7328 -3.5976 -3.5976 -3.5975 -3.5975 -3.4355 -3.4355 0.8035 0.8035 3.6571 3.6571 3.8541 3.8541 3.8565 3.8565 11.5882 11.5882 13.1409 13.1409 13.1529 13.1529 13.7525 13.7525 k = 0.0000 0.0000 0.0000 ( 2007 PWs) bands (ev): -8.4635 -8.4635 -5.7329 -5.7329 -5.7329 -5.7329 -3.5976 -3.5976 -3.5976 -3.5976 -3.4354 -3.4354 0.8049 0.8049 3.6563 3.6563 3.8545 3.8545 3.8545 3.8545 11.5944 11.5944 13.1517 13.1517 13.7562 13.7562 13.7562 13.7562 k = 0.0000 0.0000 0.0000 ( 2007 PWs) bands (ev): -8.4635 -8.4635 -5.7329 -5.7329 -5.7329 -5.7329 -3.5976 -3.5976 -3.5976 -3.5976 -3.4354 -3.4354 0.8049 0.8049 3.6563 3.6563 3.8545 3.8545 3.8545 3.8545 11.5944 11.5944 13.1517 13.1517 13.7562 13.7562 13.7562 13.7562 k = 0.0070 0.0070 0.0070 ( 2001 PWs) bands (ev): -8.4632 -8.4632 -5.7328 -5.7328 -5.7328 -5.7328 -3.5976 -3.5976 -3.5975 -3.5975 -3.4355 -3.4355 0.8035 0.8035 3.6571 3.6571 3.8539 3.8539 3.8567 3.8567 11.5882 11.5882 13.1409 13.1409 13.1529 13.1529 13.7521 13.7521 k = 0.0141 0.0141 0.0141 ( 1989 PWs) bands (ev): -8.4621 -8.4621 -5.7328 -5.7328 -5.7327 -5.7327 -3.5975 -3.5975 -3.5973 -3.5973 -3.4358 -3.4358 0.7991 0.7991 3.6594 3.6594 3.8521 3.8521 3.8635 3.8635 11.5699 11.5699 13.1107 13.1107 13.1551 13.1551 13.7411 13.7411 k = 0.0211 0.0211 0.0211 ( 1983 PWs) bands (ev): -8.4604 -8.4604 -5.7327 -5.7327 -5.7326 -5.7326 -3.5973 -3.5973 -3.5970 -3.5970 -3.4363 -3.4363 0.7919 0.7919 3.6625 3.6625 3.8491 3.8491 3.8753 3.8753 11.5402 11.5402 13.0662 13.0662 13.1542 13.1542 13.7277 13.7277 k = 0.0282 0.0282 0.0282 ( 1983 PWs) bands (ev): -8.4580 -8.4580 -5.7325 -5.7325 -5.7324 -5.7324 -3.5971 -3.5971 -3.5966 -3.5966 -3.4369 -3.4369 0.7821 0.7821 3.6654 3.6654 3.8450 3.8450 3.8930 3.8930 11.5002 11.5002 13.0123 13.0123 13.1441 13.1441 13.7187 13.7187 k = 0.0352 0.0352 0.0352 ( 1995 PWs) bands (ev): -8.4550 -8.4550 -5.7324 -5.7324 -5.7322 -5.7322 -3.5968 -3.5968 -3.5960 -3.5960 -3.4377 -3.4377 0.7700 0.7700 3.6674 3.6674 3.8397 3.8397 3.9169 3.9169 11.4512 11.4512 12.9526 12.9526 13.1181 13.1181 13.7218 13.7218 k = 0.0423 0.0423 0.0423 ( 2001 PWs) bands (ev): -8.4513 -8.4513 -5.7321 -5.7321 -5.7319 -5.7319 -3.5965 -3.5965 -3.5953 -3.5953 -3.4387 -3.4387 0.7558 0.7558 3.6677 3.6677 3.8332 3.8332 3.9473 3.9473 11.3943 11.3943 12.8894 12.8894 13.0721 13.0721 13.7420 13.7420 k = 0.0493 0.0493 0.0493 ( 2001 PWs) bands (ev): -8.4470 -8.4470 -5.7319 -5.7319 -5.7315 -5.7315 -3.5961 -3.5961 -3.5944 -3.5944 -3.4399 -3.4399 0.7399 0.7399 3.6661 3.6661 3.8257 3.8257 3.9840 3.9840 11.3309 11.3309 12.8241 12.8241 13.0064 13.0064 13.7799 13.7799 k = 0.0563 0.0563 0.0563 ( 2007 PWs) bands (ev): -8.4421 -8.4421 -5.7316 -5.7316 -5.7311 -5.7311 -3.5955 -3.5955 -3.5935 -3.5935 -3.4412 -3.4412 0.7226 0.7226 3.6626 3.6626 3.8171 3.8171 4.0266 4.0266 11.2619 11.2619 12.7575 12.7575 12.9245 12.9245 13.8331 13.8331 k = 0.0634 0.0634 0.0634 ( 2007 PWs) bands (ev): -8.4365 -8.4365 -5.7313 -5.7313 -5.7305 -5.7305 -3.5949 -3.5949 -3.5924 -3.5924 -3.4427 -3.4427 0.7043 0.7043 3.6572 3.6572 3.8074 3.8074 4.0743 4.0743 11.1882 11.1882 12.6902 12.6902 12.8309 12.8309 13.8983 13.8983 k = 0.0704 0.0704 0.0704 ( 2007 PWs) bands (ev): -8.4304 -8.4304 -5.7309 -5.7309 -5.7300 -5.7300 -3.5942 -3.5942 -3.5912 -3.5912 -3.4443 -3.4443 0.6853 0.6853 3.6502 3.6502 3.7968 3.7968 4.1264 4.1264 11.1106 11.1106 12.6225 12.6225 12.7292 12.7292 13.9725 13.9725 k = 0.0775 0.0775 0.0775 ( 2001 PWs) bands (ev): -8.4238 -8.4238 -5.7306 -5.7306 -5.7293 -5.7293 -3.5934 -3.5934 -3.5899 -3.5899 -3.4461 -3.4461 0.6661 0.6661 3.6417 3.6417 3.7853 3.7853 4.1821 4.1821 11.0299 11.0299 12.5545 12.5545 12.6227 12.6227 14.0533 14.0533 k = 0.0845 0.0845 0.0845 ( 1998 PWs) bands (ev): -8.4166 -8.4166 -5.7301 -5.7301 -5.7285 -5.7285 -3.5925 -3.5925 -3.5885 -3.5885 -3.4480 -3.4480 0.6469 0.6469 3.6319 3.6319 3.7728 3.7728 4.2405 4.2405 10.9466 10.9466 12.4861 12.4861 12.5135 12.5135 14.1389 14.1389 k = 0.0915 0.0915 0.0915 ( 1998 PWs) bands (ev): -8.4090 -8.4090 -5.7297 -5.7297 -5.7277 -5.7277 -3.5914 -3.5914 -3.5869 -3.5869 -3.4499 -3.4499 0.6281 0.6281 3.6211 3.6211 3.7596 3.7596 4.3009 4.3009 10.8614 10.8614 12.4035 12.4035 12.4175 12.4175 14.2280 14.2280 k = 0.0986 0.0986 0.0986 ( 1992 PWs) bands (ev): -8.4009 -8.4009 -5.7292 -5.7292 -5.7268 -5.7268 -3.5903 -3.5903 -3.5853 -3.5853 -3.4520 -3.4520 0.6099 0.6099 3.6092 3.6092 3.7456 3.7456 4.3625 4.3625 10.7749 10.7749 12.2939 12.2939 12.3484 12.3484 14.3194 14.3194 k = 0.1056 0.1056 0.1056 ( 1992 PWs) bands (ev): -8.3924 -8.3924 -5.7287 -5.7287 -5.7257 -5.7257 -3.5889 -3.5889 -3.5835 -3.5835 -3.4542 -3.4542 0.5928 0.5928 3.5965 3.5965 3.7309 3.7309 4.4244 4.4244 10.6877 10.6877 12.1858 12.1858 12.2788 12.2788 14.4121 14.4121 k = 0.1127 0.1127 0.1127 ( 1992 PWs) bands (ev): -8.3835 -8.3835 -5.7282 -5.7282 -5.7246 -5.7246 -3.5875 -3.5875 -3.5817 -3.5817 -3.4565 -3.4565 0.5768 0.5768 3.5830 3.5830 3.7156 3.7156 4.4858 4.4858 10.6004 10.6004 12.0799 12.0799 12.2085 12.2085 14.5055 14.5055 k = 0.1197 0.1197 0.1197 ( 1986 PWs) bands (ev): -8.3742 -8.3742 -5.7277 -5.7277 -5.7233 -5.7233 -3.5859 -3.5859 -3.5797 -3.5797 -3.4588 -3.4588 0.5624 0.5624 3.5689 3.5689 3.6997 3.6997 4.5460 4.5460 10.5138 10.5138 11.9767 11.9767 12.1373 12.1373 14.5986 14.5986 k = 0.1268 0.1268 0.1268 ( 1986 PWs) bands (ev): -8.3646 -8.3646 -5.7271 -5.7271 -5.7220 -5.7220 -3.5841 -3.5841 -3.5776 -3.5776 -3.4611 -3.4611 0.5496 0.5496 3.5542 3.5542 3.6833 3.6833 4.6041 4.6041 10.4283 10.4283 11.8766 11.8766 12.0651 12.0651 14.6910 14.6910 k = 0.1338 0.1338 0.1338 ( 1986 PWs) bands (ev): -8.3547 -8.3547 -5.7266 -5.7266 -5.7206 -5.7206 -3.5822 -3.5822 -3.5755 -3.5755 -3.4636 -3.4636 0.5387 0.5387 3.5391 3.5391 3.6665 3.6665 4.6594 4.6594 10.3448 10.3448 11.7800 11.7800 11.9918 11.9918 14.7819 14.7819 k = 0.1408 0.1408 0.1408 ( 1986 PWs) bands (ev): -8.3445 -8.3445 -5.7260 -5.7260 -5.7190 -5.7190 -3.5802 -3.5802 -3.5732 -3.5732 -3.4660 -3.4660 0.5299 0.5299 3.5236 3.5236 3.6494 3.6494 4.7110 4.7110 10.2638 10.2638 11.6869 11.6869 11.9171 11.9171 14.8709 14.8709 k = 0.1479 0.1479 0.1479 ( 1986 PWs) bands (ev): -8.3342 -8.3342 -5.7254 -5.7254 -5.7173 -5.7173 -3.5781 -3.5781 -3.5709 -3.5709 -3.4684 -3.4684 0.5234 0.5234 3.5078 3.5078 3.6320 3.6320 4.7583 4.7583 10.1857 10.1857 11.5977 11.5977 11.8409 11.8409 14.9575 14.9575 k = 0.1549 0.1549 0.1549 ( 1983 PWs) bands (ev): -8.3236 -8.3236 -5.7248 -5.7248 -5.7156 -5.7156 -3.5758 -3.5758 -3.5685 -3.5685 -3.4709 -3.4709 0.5192 0.5192 3.4919 3.4919 3.6144 3.6144 4.8004 4.8004 10.1111 10.1111 11.5125 11.5125 11.7632 11.7632 15.0413 15.0413 k = 0.1620 0.1620 0.1620 ( 1980 PWs) bands (ev): -8.3128 -8.3128 -5.7242 -5.7242 -5.7137 -5.7137 -3.5734 -3.5734 -3.5661 -3.5661 -3.4733 -3.4733 0.5175 0.5175 3.4759 3.4759 3.5967 3.5967 4.8369 4.8369 10.0401 10.0401 11.4316 11.4316 11.6837 11.6837 15.1222 15.1222 k = 0.1690 0.1690 0.1690 ( 1980 PWs) bands (ev): -8.3020 -8.3020 -5.7236 -5.7236 -5.7118 -5.7118 -3.5709 -3.5709 -3.5635 -3.5635 -3.4757 -3.4757 0.5185 0.5185 3.4598 3.4598 3.5790 3.5790 4.8670 4.8670 9.9729 9.9729 11.3553 11.3553 11.6026 11.6026 15.2000 15.2000 k = 0.1761 0.1761 0.1761 ( 1983 PWs) bands (ev): -8.2910 -8.2910 -5.7229 -5.7229 -5.7098 -5.7098 -3.5683 -3.5683 -3.5609 -3.5609 -3.4780 -3.4780 0.5223 0.5223 3.4438 3.4438 3.5613 3.5613 4.8903 4.8903 9.9093 9.9093 11.2840 11.2840 11.5196 11.5196 15.2746 15.2746 k = 0.1831 0.1831 0.1831 ( 1989 PWs) bands (ev): -8.2799 -8.2799 -5.7223 -5.7223 -5.7077 -5.7077 -3.5658 -3.5658 -3.5583 -3.5583 -3.4802 -3.4802 0.5290 0.5290 3.4280 3.4280 3.5437 3.5437 4.9066 4.9066 9.8490 9.8490 11.2181 11.2181 11.4348 11.4348 15.3461 15.3461 k = 0.1901 0.1901 0.1901 ( 1989 PWs) bands (ev): -8.2688 -8.2688 -5.7217 -5.7217 -5.7055 -5.7055 -3.5632 -3.5632 -3.5556 -3.5556 -3.4824 -3.4824 0.5387 0.5387 3.4123 3.4123 3.5263 3.5263 4.9154 4.9154 9.7915 9.7915 11.1581 11.1581 11.3482 11.3482 15.4149 15.4960 k = 0.1972 0.1972 0.1972 ( 1989 PWs) bands (ev): -8.2577 -8.2577 -5.7211 -5.7211 -5.7033 -5.7033 -3.5607 -3.5607 -3.5528 -3.5528 -3.4844 -3.4844 0.5514 0.5514 3.3970 3.3970 3.5092 3.5092 4.9168 4.9168 9.7359 9.7359 11.1045 11.1045 11.2599 11.2599 15.4811 15.5414 k = 0.2042 0.2042 0.2042 ( 1983 PWs) bands (ev): -8.2465 -8.2465 -5.7205 -5.7205 -5.7011 -5.7011 -3.5583 -3.5583 -3.5500 -3.5500 -3.4863 -3.4863 0.5673 0.5673 3.3820 3.3820 3.4924 3.4924 4.9108 4.9108 9.6813 9.6813 11.0578 11.0578 11.1700 11.1700 15.5451 15.5868 k = 0.2113 0.2113 0.2113 ( 1983 PWs) bands (ev): -8.2354 -8.2354 -5.7199 -5.7199 -5.6988 -5.6988 -3.5560 -3.5560 -3.5472 -3.5472 -3.4879 -3.4879 0.5864 0.5864 3.3674 3.3674 3.4759 3.4759 4.8975 4.8975 9.6268 9.6268 11.0185 11.0185 11.0785 11.0785 15.6075 15.6075 k = 0.2183 0.2183 0.2183 ( 1983 PWs) bands (ev): -8.2243 -8.2243 -5.7193 -5.7193 -5.6966 -5.6966 -3.5540 -3.5540 -3.5443 -3.5443 -3.4894 -3.4894 0.6088 0.6088 3.3533 3.3533 3.4599 3.4599 4.8772 4.8772 9.5714 9.5714 10.9855 10.9855 10.9865 10.9865 15.6686 15.6795 k = 0.2254 0.2254 0.2254 ( 1995 PWs) bands (ev): -8.2132 -8.2132 -5.7188 -5.7188 -5.6944 -5.6944 -3.5523 -3.5523 -3.5415 -3.5415 -3.4905 -3.4905 0.6346 0.6346 3.3397 3.3397 3.4445 3.4445 4.8504 4.8504 9.5143 9.5143 10.8913 10.8913 10.9619 10.9619 15.7278 15.7278 k = 0.2324 0.2324 0.2324 ( 1998 PWs) bands (ev): -8.2022 -8.2022 -5.7182 -5.7182 -5.6922 -5.6922 -3.5509 -3.5509 -3.5386 -3.5386 -3.4914 -3.4914 0.6639 0.6639 3.3267 3.3267 3.4296 3.4296 4.8176 4.8176 9.4546 9.4546 10.7959 10.7959 10.9441 10.9441 15.7776 15.7778 k = 0.2394 0.2394 0.2394 ( 1998 PWs) bands (ev): -8.1912 -8.1912 -5.7177 -5.7177 -5.6901 -5.6901 -3.5499 -3.5499 -3.5357 -3.5357 -3.4919 -3.4919 0.6966 0.6966 3.3144 3.3144 3.4153 3.4153 4.7792 4.7792 9.3920 9.3920 10.6997 10.6997 10.9324 10.9324 15.8294 15.8294 k = 0.2465 0.2465 0.2465 ( 1998 PWs) bands (ev): -8.1803 -8.1803 -5.7172 -5.7172 -5.6881 -5.6881 -3.5495 -3.5495 -3.5328 -3.5328 -3.4920 -3.4920 0.7328 0.7328 3.3028 3.3028 3.4016 3.4016 4.7359 4.7359 9.3262 9.3262 10.6026 10.6026 10.9255 10.9255 15.8832 15.8832 k = 0.2535 0.2535 0.2535 ( 2010 PWs) bands (ev): -8.1694 -8.1694 -5.7167 -5.7167 -5.6862 -5.6862 -3.5495 -3.5495 -3.5299 -3.5299 -3.4919 -3.4919 0.7725 0.7725 3.2919 3.2919 3.3887 3.3887 4.6883 4.6883 9.2572 9.2572 10.5050 10.5050 10.9219 10.9219 15.9392 15.9392 k = 0.2606 0.2606 0.2606 ( 2022 PWs) bands (ev): -8.1587 -8.1587 -5.7162 -5.7162 -5.6844 -5.6844 -3.5499 -3.5499 -3.5271 -3.5271 -3.4914 -3.4914 0.8159 0.8159 3.2817 3.2817 3.3765 3.3765 4.6371 4.6371 9.1851 9.1851 10.4071 10.4071 10.9199 10.9199 15.9976 15.9976 k = 0.2676 0.2676 0.2676 ( 2022 PWs) bands (ev): -8.1480 -8.1480 -5.7158 -5.7158 -5.6827 -5.6827 -3.5509 -3.5509 -3.5242 -3.5242 -3.4906 -3.4906 0.8628 0.8628 3.2724 3.2724 3.3651 3.3651 4.5828 4.5828 9.1101 9.1101 10.3091 10.3091 10.9175 10.9175 16.0584 16.0584 k = 0.2746 0.2746 0.2746 ( 2022 PWs) bands (ev): -8.1374 -8.1374 -5.7154 -5.7154 -5.6812 -5.6812 -3.5523 -3.5523 -3.5214 -3.5214 -3.4896 -3.4896 0.9133 0.9133 3.2639 3.2639 3.3546 3.3546 4.5261 4.5261 9.0327 9.0327 10.2111 10.2111 10.9126 10.9126 16.1215 16.1215 k = 0.2817 0.2817 0.2817 ( 2016 PWs) bands (ev): -8.1270 -8.1270 -5.7150 -5.7150 -5.6799 -5.6799 -3.5541 -3.5541 -3.5186 -3.5186 -3.4885 -3.4885 0.9674 0.9674 3.2563 3.2563 3.3448 3.3448 4.4674 4.4674 8.9531 8.9531 10.1134 10.1134 10.9032 10.9032 16.1869 16.1869 k = 0.2887 0.2887 0.2887 ( 2010 PWs) bands (ev): -8.1166 -8.1166 -5.7146 -5.7146 -5.6788 -5.6788 -3.5563 -3.5563 -3.5158 -3.5158 -3.4872 -3.4872 1.0251 1.0251 3.2496 3.2496 3.3359 3.3359 4.4073 4.4073 8.8719 8.8719 10.0161 10.0161 10.8873 10.8873 16.2547 16.2547 k = 0.2958 0.2958 0.2958 ( 2016 PWs) bands (ev): -8.1063 -8.1063 -5.7142 -5.7142 -5.6779 -5.6779 -3.5588 -3.5588 -3.5131 -3.5131 -3.4859 -3.4859 1.0863 1.0863 3.2437 3.2437 3.3279 3.3279 4.3464 4.3464 8.7892 8.7892 9.9196 9.9196 10.8632 10.8632 16.3246 16.3246 k = 0.3028 0.3028 0.3028 ( 2016 PWs) bands (ev): -8.0961 -8.0961 -5.7139 -5.7139 -5.6773 -5.6773 -3.5616 -3.5616 -3.5104 -3.5104 -3.4846 -3.4846 1.1510 1.1510 3.2387 3.2387 3.3207 3.3207 4.2850 4.2850 8.7056 8.7056 9.8240 9.8240 10.8294 10.8294 16.3900 16.3966 k = 0.3099 0.3099 0.3099 ( 2010 PWs) bands (ev): -8.0860 -8.0860 -5.7136 -5.7136 -5.6768 -5.6768 -3.5647 -3.5647 -3.5078 -3.5078 -3.4834 -3.4834 1.2191 1.2191 3.2346 3.2346 3.3144 3.3144 4.2236 4.2236 8.6214 8.6214 9.7295 9.7295 10.7846 10.7846 16.3370 16.3370 k = 0.3169 0.3169 0.3169 ( 2004 PWs) bands (ev): -8.0761 -8.0761 -5.7134 -5.7134 -5.6766 -5.6766 -3.5681 -3.5681 -3.5052 -3.5052 -3.4821 -3.4821 1.2906 1.2906 3.2314 3.2314 3.3089 3.3089 4.1625 4.1625 8.5369 8.5369 9.6363 9.6363 10.7282 10.7282 16.2948 16.2948 k = 0.3239 0.3239 0.3239 ( 2010 PWs) bands (ev): -8.0663 -8.0663 -5.7131 -5.7131 -5.6767 -5.6767 -3.5717 -3.5717 -3.5028 -3.5028 -3.4810 -3.4810 1.3654 1.3654 3.2290 3.2290 3.3043 3.3043 4.1021 4.1021 8.4523 8.4523 9.5446 9.5446 10.6599 10.6599 16.2712 16.2712 k = 0.3310 0.3310 0.3310 ( 2016 PWs) bands (ev): -8.0566 -8.0566 -5.7129 -5.7129 -5.6770 -5.6770 -3.5755 -3.5755 -3.5003 -3.5003 -3.4799 -3.4799 1.4432 1.4432 3.2275 3.2275 3.3006 3.3006 4.0426 4.0426 8.3680 8.3680 9.4546 9.4546 10.5797 10.5797 16.2664 16.2664 k = 0.3380 0.3380 0.3380 ( 2016 PWs) bands (ev): -8.0470 -8.0470 -5.7127 -5.7127 -5.6775 -5.6775 -3.5795 -3.5795 -3.4980 -3.4980 -3.4789 -3.4789 1.5241 1.5241 3.2268 3.2268 3.2976 3.2976 3.9843 3.9843 8.2842 8.2842 9.3665 9.3665 10.4883 10.4883 16.2796 16.2796 k = 0.3451 0.3451 0.3451 ( 2010 PWs) bands (ev): -8.0377 -8.0377 -5.7125 -5.7125 -5.6783 -5.6783 -3.5837 -3.5837 -3.4957 -3.4957 -3.4780 -3.4780 1.6077 1.6077 3.2269 3.2269 3.2954 3.2954 3.9276 3.9276 8.2011 8.2011 9.2805 9.2805 10.3866 10.3866 16.3099 16.3099 k = 0.3521 0.3521 0.3521 ( 2004 PWs) bands (ev): -8.0284 -8.0284 -5.7124 -5.7124 -5.6793 -5.6793 -3.5881 -3.5881 -3.4935 -3.4935 -3.4772 -3.4772 1.6941 1.6941 3.2278 3.2278 3.2940 3.2940 3.8724 3.8724 8.1189 8.1189 9.1967 9.1967 10.2755 10.2755 16.3560 16.3560 k = 0.3592 0.3592 0.3592 ( 1998 PWs) bands (ev): -8.0194 -8.0194 -5.7122 -5.7122 -5.6805 -5.6805 -3.5926 -3.5926 -3.4914 -3.4914 -3.4764 -3.4764 1.7828 1.7828 3.2293 3.2293 3.2933 3.2933 3.8192 3.8192 8.0378 8.0378 9.1154 9.1154 10.1565 10.1565 16.4163 16.4163 k = 0.3662 0.3662 0.3662 ( 2004 PWs) bands (ev): -8.0106 -8.0106 -5.7121 -5.7121 -5.6820 -5.6820 -3.5972 -3.5972 -3.4893 -3.4893 -3.4757 -3.4757 1.8737 1.8737 3.2314 3.2314 3.2932 3.2932 3.7679 3.7679 7.9580 7.9580 9.0367 9.0367 10.0311 10.0311 16.4893 16.4893 k = 0.3732 0.3732 0.3732 ( 2004 PWs) bands (ev): -8.0020 -8.0020 -5.7120 -5.7120 -5.6836 -5.6836 -3.6019 -3.6019 -3.4874 -3.4874 -3.4751 -3.4751 1.9664 1.9664 3.2342 3.2342 3.2937 3.2937 3.7188 3.7188 7.8796 7.8796 8.9607 8.9607 9.9006 9.9006 16.5734 16.5734 k = 0.3803 0.3803 0.3803 ( 2004 PWs) bands (ev): -7.9936 -7.9936 -5.7119 -5.7119 -5.6853 -5.6853 -3.6067 -3.6067 -3.4855 -3.4855 -3.4745 -3.4745 2.0607 2.0607 3.2375 3.2375 3.2947 3.2947 3.6719 3.6719 7.8028 7.8028 8.8877 8.8877 9.7667 9.7667 16.6670 16.6670 k = 0.3873 0.3873 0.3873 ( 2004 PWs) bands (ev): -7.9856 -7.9856 -5.7119 -5.7119 -5.6872 -5.6872 -3.6115 -3.6115 -3.4838 -3.4838 -3.4740 -3.4740 2.1561 2.1561 3.2412 3.2412 3.2962 3.2962 3.6274 3.6274 7.7276 7.7276 8.8179 8.8179 9.6308 9.6308 16.7685 16.7685 k = 0.3944 0.3944 0.3944 ( 2004 PWs) bands (ev): -7.9778 -7.9778 -5.7118 -5.7118 -5.6892 -5.6892 -3.6162 -3.6162 -3.4821 -3.4821 -3.4735 -3.4735 2.2522 2.2522 3.2452 3.2452 3.2982 3.2982 3.5854 3.5854 7.6541 7.6541 8.7513 8.7513 9.4943 9.4943 16.8764 16.8764 k = 0.4014 0.4014 0.4014 ( 2004 PWs) bands (ev): -7.9703 -7.9703 -5.7118 -5.7118 -5.6913 -5.6913 -3.6210 -3.6210 -3.4806 -3.4806 -3.4730 -3.4730 2.3484 2.3484 3.2496 3.2496 3.3005 3.3005 3.5460 3.5460 7.5825 7.5825 8.6881 8.6881 9.3589 9.3589 16.9891 16.9891 k = 0.4085 0.4085 0.4085 ( 2004 PWs) bands (ev): -7.9632 -7.9632 -5.7118 -5.7118 -5.6935 -5.6935 -3.6256 -3.6256 -3.4791 -3.4791 -3.4726 -3.4726 2.4443 2.4443 3.2541 3.2541 3.3030 3.3030 3.5092 3.5092 7.5129 7.5129 8.6286 8.6286 9.2258 9.2258 17.1052 17.1052 k = 0.4155 0.4155 0.4155 ( 1995 PWs) bands (ev): -7.9565 -7.9565 -5.7117 -5.7117 -5.6956 -5.6956 -3.6301 -3.6301 -3.4778 -3.4778 -3.4722 -3.4722 2.5392 2.5392 3.2588 3.2588 3.3058 3.3058 3.4751 3.4751 7.4454 7.4454 8.5728 8.5728 9.0964 9.0964 17.2231 17.2231 k = 0.4225 0.4225 0.4225 ( 1995 PWs) bands (ev): -7.9501 -7.9501 -5.7117 -5.7117 -5.6977 -5.6977 -3.6344 -3.6344 -3.4765 -3.4765 -3.4719 -3.4719 2.6322 2.6322 3.2634 3.2634 3.3087 3.3087 3.4439 3.4439 7.3801 7.3801 8.5208 8.5208 8.9721 8.9721 17.3414 17.3414 k = 0.4296 0.4296 0.4296 ( 1983 PWs) bands (ev): -7.9442 -7.9442 -5.7117 -5.7117 -5.6998 -5.6998 -3.6385 -3.6385 -3.4754 -3.4754 -3.4715 -3.4715 2.7226 2.7226 3.2679 3.2679 3.3116 3.3116 3.4155 3.4155 7.3173 7.3173 8.4729 8.4729 8.8542 8.8542 17.4585 17.4585 k = 0.4366 0.4366 0.4366 ( 1974 PWs) bands (ev): -7.9388 -7.9388 -5.7117 -5.7117 -5.7018 -5.7018 -3.6423 -3.6423 -3.4743 -3.4743 -3.4712 -3.4712 2.8093 2.8093 3.2721 3.2721 3.3145 3.3145 3.3902 3.3902 7.2573 7.2573 8.4291 8.4291 8.7438 8.7438 17.5729 17.5729 k = 0.4437 0.4437 0.4437 ( 1968 PWs) bands (ev): -7.9338 -7.9338 -5.7117 -5.7117 -5.7037 -5.7037 -3.6459 -3.6459 -3.4734 -3.4734 -3.4710 -3.4710 2.8912 2.8912 3.2758 3.2758 3.3174 3.3174 3.3682 3.3682 7.2003 7.2003 8.3896 8.3896 8.6422 8.6422 17.6827 17.6827 k = 0.4507 0.4507 0.4507 ( 1968 PWs) bands (ev): -7.9294 -7.9294 -5.7117 -5.7117 -5.7055 -5.7055 -3.6491 -3.6491 -3.4726 -3.4726 -3.4707 -3.4707 2.9672 2.9672 3.2788 3.2788 3.3200 3.3200 3.3498 3.3498 7.1471 7.1471 8.3544 8.3544 8.5504 8.5504 17.7861 17.7861 k = 0.4577 0.4577 0.4577 ( 1974 PWs) bands (ev): -7.9255 -7.9255 -5.7118 -5.7118 -5.7071 -5.7071 -3.6520 -3.6520 -3.4719 -3.4719 -3.4705 -3.4705 3.0358 3.0358 3.2807 3.2807 3.3225 3.3225 3.3355 3.3355 7.0982 7.0982 8.3237 8.3237 8.4692 8.4692 17.8811 17.8811 k = 0.4648 0.4648 0.4648 ( 1980 PWs) bands (ev): -7.9222 -7.9222 -5.7118 -5.7118 -5.7085 -5.7085 -3.6544 -3.6544 -3.4713 -3.4713 -3.4703 -3.4703 3.0953 3.0953 3.2811 3.2811 3.3247 3.3247 3.3261 3.3261 7.0546 7.0546 8.2976 8.2976 8.3994 8.3994 17.9656 17.9656 k = 0.4718 0.4718 0.4718 ( 1980 PWs) bands (ev): -7.9194 -7.9194 -5.7118 -5.7118 -5.7096 -5.7096 -3.6565 -3.6565 -3.4708 -3.4708 -3.4702 -3.4702 3.1439 3.1439 3.2802 3.2802 3.3218 3.3218 3.3265 3.3265 7.0170 7.0170 8.2761 8.2761 8.3417 8.3417 18.0375 18.0375 k = 0.4789 0.4789 0.4789 ( 1992 PWs) bands (ev): -7.9172 -7.9172 -5.7118 -5.7118 -5.7106 -5.7106 -3.6581 -3.6581 -3.4704 -3.4704 -3.4701 -3.4701 3.1799 3.1799 3.2795 3.2795 3.3220 3.3220 3.3280 3.3280 6.9864 6.9864 8.2594 8.2594 8.2964 8.2964 18.0945 18.0945 k = 0.4859 0.4859 0.4859 ( 2008 PWs) bands (ev): -7.9157 -7.9157 -5.7118 -5.7118 -5.7113 -5.7113 -3.6593 -3.6593 -3.4701 -3.4701 -3.4700 -3.4700 3.2024 3.2024 3.2802 3.2802 3.3249 3.3249 3.3291 3.3291 6.9639 6.9639 8.2474 8.2474 8.2639 8.2639 18.1351 18.1352 k = 0.4930 0.4930 0.4930 ( 2008 PWs) bands (ev): -7.9148 -7.9148 -5.7118 -5.7118 -5.7117 -5.7117 -3.6600 -3.6600 -3.4700 -3.4700 -3.4699 -3.4699 3.2134 3.2134 3.2817 3.2817 3.3284 3.3284 3.3298 3.3298 6.9500 6.9500 8.2401 8.2401 8.2443 8.2443 18.1593 18.1621 k = 0.5000 0.5000 0.5000 ( 2008 PWs) bands (ev): -7.9144 -7.9144 -5.7118 -5.7118 -5.7118 -5.7118 -3.6602 -3.6602 -3.4699 -3.4699 -3.4699 -3.4699 3.2166 3.2166 3.2824 3.2824 3.3300 3.3300 3.3300 3.3300 6.9453 6.9453 8.2377 8.2377 8.2377 8.2377 18.1666 18.1666 k = 0.5000 0.5000 0.5000 ( 2008 PWs) bands (ev): -7.9144 -7.9144 -5.7118 -5.7118 -5.7118 -5.7118 -3.6602 -3.6602 -3.4699 -3.4699 -3.4699 -3.4699 3.2166 3.2166 3.2824 3.2824 3.3300 3.3300 3.3300 3.3300 6.9453 6.9453 8.2377 8.2377 8.2377 8.2377 18.1666 18.1666 k = 0.4914 0.5000 0.4914 ( 2008 PWs) bands (ev): -7.9148 -7.9148 -5.7118 -5.7118 -5.7117 -5.7117 -3.6600 -3.6600 -3.4700 -3.4700 -3.4699 -3.4699 3.2135 3.2135 3.2816 3.2816 3.3282 3.3282 3.3299 3.3299 6.9500 6.9500 8.2403 8.2403 8.2441 8.2441 18.1583 18.1584 k = 0.4828 0.5000 0.4828 ( 2008 PWs) bands (ev): -7.9157 -7.9157 -5.7118 -5.7118 -5.7113 -5.7113 -3.6593 -3.6593 -3.4703 -3.4703 -3.4698 -3.4698 3.2030 3.2030 3.2798 3.2798 3.3237 3.3237 3.3301 3.3301 6.9639 6.9639 8.2481 8.2481 8.2631 8.2631 18.1326 18.1326 k = 0.4741 0.5000 0.4741 ( 1992 PWs) bands (ev): -7.9172 -7.9172 -5.7118 -5.7118 -5.7106 -5.7106 -3.6581 -3.6581 -3.4708 -3.4708 -3.4697 -3.4697 3.1824 3.1824 3.2778 3.2778 3.3181 3.3181 3.3310 3.3310 6.9866 6.9866 8.2610 8.2610 8.2947 8.2947 18.0882 18.0882 k = 0.4655 0.5000 0.4655 ( 1980 PWs) bands (ev): -7.9194 -7.9194 -5.7118 -5.7118 -5.7096 -5.7096 -3.6565 -3.6565 -3.4715 -3.4715 -3.4695 -3.4695 3.1499 3.1499 3.2755 3.2755 3.3134 3.3134 3.3334 3.3334 7.0174 7.0174 8.2789 8.2789 8.3387 8.3387 18.0257 18.0257 k = 0.4569 0.5000 0.4569 ( 1976 PWs) bands (ev): -7.9221 -7.9221 -5.7118 -5.7118 -5.7084 -5.7084 -3.6544 -3.6544 -3.4724 -3.4724 -3.4692 -3.4692 3.1058 3.1058 3.2711 3.2711 3.3121 3.3121 3.3374 3.3374 7.0555 7.0555 8.3019 8.3019 8.3949 8.3949 17.9472 17.9472 k = 0.4483 0.5000 0.4483 ( 1972 PWs) bands (ev): -7.9255 -7.9255 -5.7118 -5.7118 -5.7070 -5.7070 -3.6519 -3.6519 -3.4735 -3.4735 -3.4689 -3.4689 3.0514 3.0514 3.2628 3.2628 3.3156 3.3156 3.3431 3.3431 7.1000 7.1000 8.3298 8.3298 8.4629 8.4629 17.8552 17.8552 k = 0.4397 0.5000 0.4397 ( 1972 PWs) bands (ev): -7.9293 -7.9293 -5.7118 -5.7118 -5.7054 -5.7054 -3.6490 -3.6490 -3.4747 -3.4747 -3.4686 -3.4686 2.9883 2.9883 3.2510 3.2510 3.3232 3.3232 3.3505 3.3505 7.1499 7.1499 8.3624 8.3624 8.5423 8.5423 17.7523 17.7523 k = 0.4310 0.5000 0.4310 ( 1966 PWs) bands (ev): -7.9338 -7.9338 -5.7118 -5.7118 -5.7036 -5.7036 -3.6458 -3.6458 -3.4762 -3.4762 -3.4682 -3.4682 2.9178 2.9178 3.2369 3.2369 3.3337 3.3337 3.3598 3.3598 7.2044 7.2044 8.3997 8.3997 8.6326 8.6326 17.6408 17.6408 k = 0.4224 0.5000 0.4224 ( 1972 PWs) bands (ev): -7.9387 -7.9387 -5.7119 -5.7119 -5.7016 -5.7016 -3.6422 -3.6422 -3.4778 -3.4778 -3.4677 -3.4677 2.8412 2.8412 3.2211 3.2211 3.3459 3.3459 3.3713 3.3713 7.2627 7.2627 8.4413 8.4413 8.7332 8.7332 17.5227 17.5227 k = 0.4138 0.5000 0.4138 ( 1980 PWs) bands (ev): -7.9441 -7.9441 -5.7119 -5.7119 -5.6995 -5.6995 -3.6383 -3.6383 -3.4796 -3.4796 -3.4672 -3.4672 2.7595 2.7595 3.2044 3.2044 3.3590 3.3590 3.3855 3.3855 7.3241 7.3241 8.4870 8.4870 8.8433 8.8433 17.4000 17.4000 k = 0.4052 0.5000 0.4052 ( 1984 PWs) bands (ev): -7.9499 -7.9499 -5.7119 -5.7119 -5.6973 -5.6973 -3.6341 -3.6341 -3.4815 -3.4815 -3.4667 -3.4667 2.6737 2.6737 3.1871 3.1871 3.3726 3.3726 3.4025 3.4025 7.3879 7.3879 8.5366 8.5366 8.9624 8.9624 17.2743 17.2743 k = 0.3966 0.5000 0.3966 ( 1992 PWs) bands (ev): -7.9562 -7.9562 -5.7120 -5.7120 -5.6950 -5.6950 -3.6297 -3.6297 -3.4836 -3.4836 -3.4662 -3.4662 2.5847 2.5847 3.1697 3.1697 3.3864 3.3864 3.4224 3.4224 7.4538 7.4538 8.5896 8.5896 9.0895 9.0895 17.1471 17.1471 k = 0.3879 0.5000 0.3879 ( 1992 PWs) bands (ev): -7.9628 -7.9628 -5.7121 -5.7121 -5.6927 -5.6927 -3.6251 -3.6251 -3.4858 -3.4858 -3.4656 -3.4656 2.4933 2.4933 3.1524 3.1524 3.4007 3.4007 3.4449 3.4449 7.5212 7.5212 8.6457 8.6457 9.2240 9.2240 17.0199 17.0199 k = 0.3793 0.5000 0.3793 ( 2004 PWs) bands (ev): -7.9698 -7.9698 -5.7121 -5.7121 -5.6903 -5.6903 -3.6203 -3.6203 -3.4882 -3.4882 -3.4650 -3.4650 2.3999 2.3999 3.1357 3.1357 3.4155 3.4155 3.4698 3.4698 7.5900 7.5900 8.7044 8.7044 9.3650 9.3650 16.8939 16.8939 k = 0.3707 0.5000 0.3707 ( 2004 PWs) bands (ev): -7.9771 -7.9771 -5.7123 -5.7123 -5.6880 -5.6880 -3.6154 -3.6154 -3.4907 -3.4907 -3.4644 -3.4644 2.3054 2.3054 3.1198 3.1198 3.4311 3.4311 3.4970 3.4970 7.6598 7.6598 8.7652 8.7652 9.5117 9.5117 16.7703 16.7703 k = 0.3621 0.5000 0.3621 ( 2004 PWs) bands (ev): -7.9846 -7.9846 -5.7124 -5.7124 -5.6857 -5.6857 -3.6104 -3.6104 -3.4933 -3.4933 -3.4638 -3.4638 2.2101 2.2101 3.1051 3.1051 3.4474 3.4474 3.5262 3.5262 7.7304 7.7304 8.8276 8.8276 9.6634 9.6634 16.6503 16.6503 k = 0.3534 0.5000 0.3534 ( 2004 PWs) bands (ev): -7.9924 -7.9924 -5.7125 -5.7125 -5.6835 -5.6835 -3.6054 -3.6054 -3.4960 -3.4960 -3.4633 -3.4633 2.1146 2.1146 3.0918 3.0918 3.4645 3.4645 3.5575 3.5575 7.8016 7.8016 8.8910 8.8910 9.8191 9.8191 16.5348 16.5348 k = 0.3448 0.5000 0.3448 ( 2000 PWs) bands (ev): -8.0004 -8.0004 -5.7127 -5.7127 -5.6814 -5.6814 -3.6004 -3.6004 -3.4988 -3.4988 -3.4627 -3.4627 2.0191 2.0191 3.0801 3.0801 3.4823 3.4823 3.5907 3.5907 7.8732 7.8732 8.9550 8.9550 9.9782 9.9782 16.4250 16.4250 k = 0.3362 0.5000 0.3362 ( 2000 PWs) bands (ev): -8.0085 -8.0085 -5.7129 -5.7129 -5.6794 -5.6794 -3.5954 -3.5954 -3.5017 -3.5017 -3.4622 -3.4622 1.9241 1.9241 3.0703 3.0703 3.5009 3.5009 3.6259 3.6259 7.9449 7.9449 9.0188 9.0188 10.1397 10.1397 16.3219 16.3219 k = 0.3276 0.5000 0.3276 ( 2008 PWs) bands (ev): -8.0168 -8.0168 -5.7132 -5.7132 -5.6776 -5.6776 -3.5904 -3.5904 -3.5047 -3.5047 -3.4618 -3.4618 1.8299 1.8299 3.0627 3.0627 3.5203 3.5203 3.6629 3.6629 8.0163 8.0163 9.0821 9.0821 10.3030 10.3030 16.2264 16.2264 k = 0.3190 0.5000 0.3190 ( 2004 PWs) bands (ev): -8.0252 -8.0252 -5.7134 -5.7134 -5.6759 -5.6759 -3.5856 -3.5856 -3.5078 -3.5078 -3.4615 -3.4615 1.7367 1.7367 3.0574 3.0574 3.5404 3.5404 3.7017 3.7017 8.0872 8.0872 9.1443 9.1443 10.4670 10.4670 16.1395 16.1395 k = 0.3103 0.5000 0.3103 ( 2008 PWs) bands (ev): -8.0336 -8.0336 -5.7137 -5.7137 -5.6745 -5.6745 -3.5808 -3.5808 -3.5108 -3.5108 -3.4612 -3.4612 1.6447 1.6447 3.0545 3.0545 3.5611 3.5611 3.7422 3.7422 8.1570 8.1570 9.2051 9.2051 10.6310 10.6310 16.0621 16.0621 k = 0.3017 0.5000 0.3017 ( 2004 PWs) bands (ev): -8.0420 -8.0420 -5.7141 -5.7141 -5.6732 -5.6732 -3.5762 -3.5762 -3.5140 -3.5140 -3.4611 -3.4611 1.5542 1.5542 3.0543 3.0543 3.5826 3.5826 3.7845 3.7845 8.2253 8.2253 9.2641 9.2641 10.7941 10.7941 15.9951 15.9951 k = 0.2931 0.5000 0.2931 ( 2008 PWs) bands (ev): -8.0505 -8.0505 -5.7144 -5.7144 -5.6721 -5.6721 -3.5719 -3.5719 -3.5171 -3.5171 -3.4610 -3.4610 1.4654 1.4654 3.0569 3.0569 3.6046 3.6046 3.8285 3.8285 8.2912 8.2912 9.3214 9.3214 10.9552 10.9552 15.9394 15.9394 k = 0.2845 0.5000 0.2845 ( 2016 PWs) bands (ev): -8.0589 -8.0589 -5.7148 -5.7148 -5.6713 -5.6713 -3.5677 -3.5677 -3.5202 -3.5202 -3.4612 -3.4612 1.3783 1.3783 3.0623 3.0623 3.6271 3.6271 3.8741 3.8741 8.3539 8.3539 9.3770 9.3770 11.1133 11.1133 15.8956 15.8956 k = 0.2759 0.5000 0.2759 ( 2008 PWs) bands (ev): -8.0672 -8.0672 -5.7153 -5.7153 -5.6707 -5.6707 -3.5638 -3.5638 -3.5233 -3.5233 -3.4615 -3.4615 1.2932 1.2932 3.0707 3.0707 3.6502 3.6502 3.9212 3.9212 8.4123 8.4123 9.4313 9.4313 11.2673 11.2673 15.8643 15.8643 k = 0.2672 0.5000 0.2672 ( 2012 PWs) bands (ev): -8.0755 -8.0755 -5.7158 -5.7158 -5.6703 -5.6703 -3.5602 -3.5602 -3.5262 -3.5262 -3.4619 -3.4619 1.2101 1.2101 3.0822 3.0822 3.6738 3.6738 3.9698 3.9698 8.4653 8.4653 9.4849 9.4849 11.4161 11.4161 15.8460 15.8460 k = 0.2586 0.5000 0.2586 ( 2012 PWs) bands (ev): -8.0837 -8.0837 -5.7163 -5.7163 -5.6702 -5.6702 -3.5571 -3.5571 -3.5289 -3.5289 -3.4626 -3.4626 1.1292 1.1292 3.0967 3.0967 3.6977 3.6977 4.0198 4.0198 8.5115 8.5115 9.5387 9.5387 11.5584 11.5584 15.8399 15.8399 k = 0.2500 0.5000 0.2500 ( 2012 PWs) bands (ev): -8.0917 -8.0917 -5.7168 -5.7168 -5.6703 -5.6703 -3.5546 -3.5546 -3.5312 -3.5312 -3.4634 -3.4634 1.0506 1.0506 3.1143 3.1143 3.7220 3.7220 4.0712 4.0712 8.5495 8.5495 9.5936 9.5936 11.6931 11.6931 15.8258 15.8258 k = 0.2414 0.5000 0.2414 ( 2012 PWs) bands (ev): -8.0995 -8.0995 -5.7174 -5.7174 -5.6706 -5.6706 -3.5530 -3.5530 -3.5328 -3.5328 -3.4645 -3.4645 0.9743 0.9743 3.1351 3.1351 3.7466 3.7466 4.1237 4.1237 8.5781 8.5781 9.6508 9.6508 11.8189 11.8189 15.7370 15.7370 k = 0.2328 0.5000 0.2328 ( 2002 PWs) bands (ev): -8.1072 -8.1072 -5.7180 -5.7180 -5.6712 -5.6712 -3.5526 -3.5526 -3.5334 -3.5334 -3.4657 -3.4657 0.9004 0.9004 3.1590 3.1590 3.7714 3.7714 4.1775 4.1775 8.5960 8.5960 9.7112 9.7112 11.9346 11.9346 15.6393 15.6393 k = 0.2241 0.5000 0.2241 ( 2002 PWs) bands (ev): -8.1147 -8.1147 -5.7187 -5.7187 -5.6719 -5.6719 -3.5535 -3.5535 -3.5329 -3.5329 -3.4671 -3.4671 0.8290 0.8290 3.1859 3.1859 3.7963 3.7963 4.2322 4.2322 8.6028 8.6028 9.7756 9.7756 12.0391 12.0391 15.5422 15.5422 k = 0.2155 0.5000 0.2155 ( 2002 PWs) bands (ev): -8.1220 -8.1220 -5.7193 -5.7193 -5.6729 -5.6729 -3.5554 -3.5554 -3.5317 -3.5317 -3.4687 -3.4687 0.7602 0.7602 3.2159 3.2159 3.8213 3.8213 4.2878 4.2878 8.5979 8.5979 9.8443 9.8443 12.1315 12.1315 15.4467 15.4467 k = 0.2069 0.5000 0.2069 ( 2010 PWs) bands (ev): -8.1291 -8.1291 -5.7201 -5.7201 -5.6741 -5.6741 -3.5578 -3.5578 -3.5300 -3.5300 -3.4705 -3.4705 0.6939 0.6939 3.2487 3.2487 3.8463 3.8463 4.3442 4.3442 8.5818 8.5818 9.9173 9.9173 12.2111 12.2111 15.3530 15.3530 k = 0.1983 0.5000 0.1983 ( 2010 PWs) bands (ev): -8.1359 -8.1359 -5.7208 -5.7208 -5.6754 -5.6754 -3.5606 -3.5606 -3.5282 -3.5282 -3.4724 -3.4724 0.6302 0.6302 3.2845 3.2845 3.8713 3.8713 4.4012 4.4012 8.5548 8.5548 9.9946 9.9946 12.2776 12.2776 15.2614 15.2614 k = 0.1897 0.5000 0.1897 ( 2002 PWs) bands (ev): -8.1425 -8.1425 -5.7216 -5.7216 -5.6768 -5.6768 -3.5636 -3.5636 -3.5264 -3.5264 -3.4744 -3.4744 0.5692 0.5692 3.3229 3.3229 3.8961 3.8961 4.4586 4.4586 8.5179 8.5179 10.0755 10.0755 12.3310 12.3310 15.1721 15.1721 k = 0.1810 0.5000 0.1810 ( 2006 PWs) bands (ev): -8.1488 -8.1488 -5.7224 -5.7224 -5.6784 -5.6784 -3.5667 -3.5667 -3.5247 -3.5247 -3.4764 -3.4764 0.5108 0.5108 3.3639 3.3639 3.9206 3.9206 4.5164 4.5164 8.4719 8.4719 10.1596 10.1596 12.3716 12.3716 15.0852 15.0852 k = 0.1724 0.5000 0.1724 ( 2006 PWs) bands (ev): -8.1548 -8.1548 -5.7232 -5.7232 -5.6801 -5.6801 -3.5698 -3.5698 -3.5233 -3.5233 -3.4785 -3.4785 0.4552 0.4552 3.4073 3.4073 3.9449 3.9449 4.5742 4.5742 8.4181 8.4181 10.2460 10.2460 12.4002 12.4002 15.0010 15.0010 k = 0.1638 0.5000 0.1638 ( 2006 PWs) bands (ev): -8.1606 -8.1606 -5.7241 -5.7241 -5.6819 -5.6819 -3.5729 -3.5729 -3.5220 -3.5220 -3.4806 -3.4806 0.4022 0.4022 3.4529 3.4529 3.9688 3.9688 4.6319 4.6319 8.3574 8.3574 10.3339 10.3339 12.4177 12.4177 14.9195 14.9195 k = 0.1552 0.5000 0.1552 ( 1998 PWs) bands (ev): -8.1661 -8.1661 -5.7249 -5.7249 -5.6837 -5.6837 -3.5760 -3.5760 -3.5210 -3.5210 -3.4825 -3.4825 0.3520 0.3520 3.5005 3.5005 3.9922 3.9922 4.6892 4.6892 8.2911 8.2911 10.4227 10.4227 12.4255 12.4255 14.8411 14.8411 k = 0.1466 0.5000 0.1466 ( 1998 PWs) bands (ev): -8.1713 -8.1713 -5.7258 -5.7258 -5.6856 -5.6856 -3.5791 -3.5791 -3.5204 -3.5204 -3.4843 -3.4843 0.3046 0.3046 3.5498 3.5498 4.0151 4.0151 4.7460 4.7460 8.2201 8.2201 10.5114 10.5114 12.4250 12.4250 14.7658 14.7658 k = 0.1379 0.5000 0.1379 ( 2006 PWs) bands (ev): -8.1762 -8.1762 -5.7267 -5.7267 -5.6875 -5.6875 -3.5820 -3.5820 -3.5201 -3.5201 -3.4859 -3.4859 0.2598 0.2598 3.6004 3.6004 4.0373 4.0373 4.8019 4.8019 8.1456 8.1456 10.5991 10.5991 12.4179 12.4179 14.6938 14.6938 k = 0.1293 0.5000 0.1293 ( 2010 PWs) bands (ev): -8.1809 -8.1809 -5.7277 -5.7277 -5.6894 -5.6894 -3.5849 -3.5849 -3.5203 -3.5203 -3.4872 -3.4872 0.2179 0.2179 3.6522 3.6522 4.0589 4.0589 4.8568 4.8568 8.0685 8.0685 10.6850 10.6850 12.4060 12.4060 14.6252 14.6252 k = 0.1207 0.5000 0.1207 ( 2010 PWs) bands (ev): -8.1852 -8.1852 -5.7286 -5.7286 -5.6912 -5.6912 -3.5877 -3.5877 -3.5208 -3.5208 -3.4881 -3.4881 0.1786 0.1786 3.7046 3.7046 4.0797 4.0797 4.9102 4.9102 7.9898 7.9898 10.7679 10.7679 12.3909 12.3909 14.5603 14.5603 k = 0.1121 0.5000 0.1121 ( 2010 PWs) bands (ev): -8.1893 -8.1893 -5.7295 -5.7295 -5.6930 -5.6930 -3.5903 -3.5903 -3.5217 -3.5217 -3.4888 -3.4888 0.1421 0.1421 3.7572 3.7572 4.0996 4.0996 4.9620 4.9620 7.9105 7.9105 10.8470 10.8470 12.3745 12.3745 14.4991 14.4991 k = 0.1034 0.5000 0.1034 ( 2022 PWs) bands (ev): -8.1930 -8.1930 -5.7305 -5.7305 -5.6947 -5.6947 -3.5929 -3.5929 -3.5229 -3.5229 -3.4892 -3.4892 0.1084 0.1084 3.8096 3.8096 4.1187 4.1187 5.0118 5.0118 7.8315 7.8315 10.9210 10.9210 12.3584 12.3584 14.4418 14.4418 k = 0.0948 0.5000 0.0948 ( 2018 PWs) bands (ev): -8.1964 -8.1964 -5.7314 -5.7314 -5.6963 -5.6963 -3.5953 -3.5953 -3.5243 -3.5243 -3.4894 -3.4894 0.0773 0.0773 3.8612 3.8612 4.1370 4.1370 5.0593 5.0593 7.7538 7.7538 10.9890 10.9890 12.3441 12.3441 14.3886 14.3886 k = 0.0862 0.5000 0.0862 ( 2010 PWs) bands (ev): -8.1996 -8.1996 -5.7323 -5.7323 -5.6978 -5.6978 -3.5975 -3.5975 -3.5258 -3.5258 -3.4893 -3.4893 0.0491 0.0491 3.9113 3.9113 4.1543 4.1543 5.1041 5.1041 7.6782 7.6782 11.0500 11.0500 12.3330 12.3330 14.3395 14.3395 k = 0.0776 0.5000 0.0776 ( 2010 PWs) bands (ev): -8.2024 -8.2024 -5.7331 -5.7331 -5.6992 -5.6992 -3.5996 -3.5996 -3.5274 -3.5274 -3.4892 -3.4892 0.0235 0.0235 3.9593 3.9593 4.1708 4.1708 5.1460 5.1460 7.6058 7.6058 11.1031 11.1031 12.3260 12.3260 14.2947 14.2947 k = 0.0690 0.5000 0.0690 ( 2012 PWs) bands (ev): -8.2049 -8.2049 -5.7339 -5.7339 -5.7005 -5.7005 -3.6015 -3.6015 -3.5290 -3.5290 -3.4890 -3.4890 0.0006 0.0006 4.0042 4.0042 4.1866 4.1866 5.1846 5.1846 7.5373 7.5373 11.1479 11.1479 12.3235 12.3235 14.2544 14.2544 k = 0.0603 0.5000 0.0603 ( 2006 PWs) bands (ev): -8.2072 -8.2072 -5.7347 -5.7347 -5.7016 -5.7016 -3.6032 -3.6032 -3.5306 -3.5306 -3.4887 -3.4887 -0.0195 -0.0195 4.0453 4.0453 4.2017 4.2017 5.2196 5.2196 7.4739 7.4739 11.1844 11.1844 12.3256 12.3256 14.2185 14.2185 k = 0.0517 0.5000 0.0517 ( 2008 PWs) bands (ev): -8.2091 -8.2091 -5.7354 -5.7354 -5.7026 -5.7026 -3.6046 -3.6046 -3.5320 -3.5320 -3.4885 -3.4885 -0.0369 -0.0369 4.0815 4.0815 4.2164 4.2164 5.2506 5.2506 7.4165 7.4165 11.2130 11.2130 12.3317 12.3317 14.1872 14.1872 k = 0.0431 0.5000 0.0431 ( 2000 PWs) bands (ev): -8.2107 -8.2107 -5.7360 -5.7360 -5.7034 -5.7034 -3.6059 -3.6059 -3.5332 -3.5332 -3.4882 -3.4882 -0.0517 -0.0517 4.1120 4.1120 4.2307 4.2307 5.2775 5.2775 7.3659 7.3659 11.2345 11.2345 12.3405 12.3405 14.1606 14.1606 k = 0.0345 0.5000 0.0345 ( 2000 PWs) bands (ev): -8.2121 -8.2121 -5.7365 -5.7365 -5.7041 -5.7041 -3.6070 -3.6070 -3.5343 -3.5343 -3.4880 -3.4880 -0.0638 -0.0638 4.1362 4.1362 4.2444 4.2444 5.2999 5.2999 7.3231 7.3231 11.2499 11.2499 12.3507 12.3507 14.1387 14.1387 k = 0.0259 0.5000 0.0259 ( 2000 PWs) bands (ev): -8.2131 -8.2131 -5.7369 -5.7369 -5.7046 -5.7046 -3.6078 -3.6078 -3.5352 -3.5352 -3.4878 -3.4878 -0.0731 -0.0731 4.1541 4.1541 4.2569 4.2569 5.3176 5.3176 7.2888 7.2888 11.2605 11.2605 12.3606 12.3606 14.1216 14.1216 k = 0.0172 0.5000 0.0172 ( 2000 PWs) bands (ev): -8.2138 -8.2138 -5.7372 -5.7372 -5.7050 -5.7050 -3.6084 -3.6084 -3.5358 -3.5358 -3.4877 -3.4877 -0.0798 -0.0798 4.1661 4.1661 4.2670 4.2670 5.3303 5.3303 7.2638 7.2638 11.2671 11.2671 12.3689 12.3689 14.1094 14.1094 k = 0.0086 0.5000 0.0086 ( 1996 PWs) bands (ev): -8.2143 -8.2143 -5.7373 -5.7373 -5.7052 -5.7052 -3.6088 -3.6088 -3.5362 -3.5362 -3.4876 -3.4876 -0.0838 -0.0838 4.1730 4.1730 4.2736 4.2736 5.3381 5.3381 7.2486 7.2486 11.2708 11.2708 12.3744 12.3744 14.1020 14.1020 k = 0.0000 0.5000-0.0000 ( 1984 PWs) bands (ev): -8.2144 -8.2144 -5.7374 -5.7374 -5.7053 -5.7053 -3.6089 -3.6089 -3.5363 -3.5363 -3.4876 -3.4876 -0.0852 -0.0852 4.1752 4.1752 4.2760 4.2760 5.3407 5.3407 7.2435 7.2435 11.2719 11.2719 12.3763 12.3763 14.0996 14.0996 k = 0.5000 0.5000-0.0000 ( 2000 PWs) bands (ev): -8.1125 -8.1125 -5.7229 -5.7229 -5.6260 -5.6260 -3.5662 -3.5662 -3.4987 -3.4987 -3.4103 -3.4103 2.0089 2.0089 2.2799 2.2799 2.3632 2.3632 4.2693 4.2693 9.5567 9.5567 10.5736 10.5736 13.7495 13.7495 13.8118 13.8118 k = 0.5000 0.5000 0.0122 ( 2000 PWs) bands (ev): -8.1122 -8.1122 -5.7228 -5.7228 -5.6261 -5.6261 -3.5661 -3.5661 -3.4989 -3.4989 -3.4104 -3.4104 2.0101 2.0101 2.2811 2.2811 2.3644 2.3644 4.2676 4.2676 9.5528 9.5528 10.5696 10.5696 13.7542 13.7542 13.7895 13.7895 k = 0.5000 0.5000 0.0244 ( 2012 PWs) bands (ev): -8.1114 -8.1114 -5.7228 -5.7228 -5.6264 -5.6264 -3.5657 -3.5657 -3.4996 -3.4996 -3.4107 -3.4107 2.0136 2.0136 2.2848 2.2848 2.3678 2.3678 4.2625 4.2625 9.5412 9.5412 10.5575 10.5575 13.7250 13.7250 13.7684 13.7684 k = 0.5000 0.5000 0.0366 ( 2020 PWs) bands (ev): -8.1101 -8.1101 -5.7226 -5.7226 -5.6270 -5.6270 -3.5651 -3.5651 -3.5008 -3.5008 -3.4111 -3.4111 2.0194 2.0194 2.2908 2.2908 2.3734 2.3734 4.2542 4.2542 9.5219 9.5219 10.5377 10.5377 13.6234 13.6234 13.7920 13.7920 k = 0.5000 0.5000 0.0488 ( 2020 PWs) bands (ev): -8.1082 -8.1082 -5.7224 -5.7224 -5.6278 -5.6278 -3.5643 -3.5643 -3.5025 -3.5025 -3.4117 -3.4117 2.0276 2.0276 2.2991 2.2991 2.3813 2.3813 4.2427 4.2427 9.4952 9.4952 10.5101 10.5101 13.4918 13.4918 13.8249 13.8249 k = 0.5000 0.5000 0.0610 ( 2016 PWs) bands (ev): -8.1058 -8.1058 -5.7221 -5.7221 -5.6288 -5.6288 -3.5632 -3.5632 -3.5046 -3.5046 -3.4125 -3.4125 2.0380 2.0380 2.3099 2.3099 2.3914 2.3914 4.2281 4.2281 9.4612 9.4612 10.4752 10.4752 13.3371 13.3371 13.8670 13.8670 k = 0.5000 0.5000 0.0732 ( 2016 PWs) bands (ev): -8.1029 -8.1029 -5.7218 -5.7218 -5.6300 -5.6300 -3.5619 -3.5619 -3.5071 -3.5071 -3.4134 -3.4134 2.0508 2.0508 2.3229 2.3229 2.4037 2.4037 4.2106 4.2106 9.4203 9.4203 10.4334 10.4334 13.1651 13.1651 13.9181 13.9181 k = 0.5000 0.5000 0.0854 ( 2008 PWs) bands (ev): -8.0995 -8.0995 -5.7215 -5.7215 -5.6314 -5.6314 -3.5604 -3.5604 -3.5101 -3.5101 -3.4145 -3.4145 2.0658 2.0658 2.3383 2.3383 2.4181 2.4181 4.1902 4.1902 9.3728 9.3728 10.3849 10.3849 12.9808 12.9808 13.9780 13.9780 k = 0.5000 0.5000 0.0976 ( 2008 PWs) bands (ev): -8.0956 -8.0956 -5.7211 -5.7211 -5.6330 -5.6330 -3.5586 -3.5586 -3.5135 -3.5135 -3.4157 -3.4157 2.0832 2.0832 2.3558 2.3558 2.4346 2.4346 4.1672 4.1672 9.3191 9.3191 10.3304 10.3304 12.7878 12.7878 14.0465 14.0465 k = 0.5000 0.5000 0.1098 ( 2008 PWs) bands (ev): -8.0912 -8.0912 -5.7207 -5.7207 -5.6348 -5.6348 -3.5566 -3.5566 -3.5172 -3.5172 -3.4171 -3.4171 2.1028 2.1028 2.3756 2.3756 2.4531 2.4531 4.1418 4.1418 9.2596 9.2596 10.2703 10.2703 12.5889 12.5889 14.1233 14.1233 k = 0.5000 0.5000 0.1220 ( 2016 PWs) bands (ev): -8.0865 -8.0865 -5.7202 -5.7202 -5.6368 -5.6368 -3.5544 -3.5544 -3.5214 -3.5214 -3.4186 -3.4186 2.1246 2.1246 2.3975 2.3975 2.4736 2.4736 4.1143 4.1143 9.1947 9.1947 10.2051 10.2051 12.3864 12.3864 14.2082 14.2082 k = 0.5000 0.5000 0.1341 ( 2016 PWs) bands (ev): -8.0813 -8.0813 -5.7197 -5.7197 -5.6390 -5.6390 -3.5521 -3.5521 -3.5258 -3.5258 -3.4202 -3.4202 2.1487 2.1487 2.4214 2.4214 2.4959 2.4959 4.0847 4.0847 9.1248 9.1248 10.1354 10.1354 12.1818 12.1818 14.3010 14.3010 k = 0.5000 0.5000 0.1463 ( 2016 PWs) bands (ev): -8.0757 -8.0757 -5.7192 -5.7192 -5.6414 -5.6414 -3.5495 -3.5495 -3.5306 -3.5306 -3.4220 -3.4220 2.1749 2.1749 2.4474 2.4474 2.5200 2.5200 4.0534 4.0534 9.0504 9.0504 10.0618 10.0618 11.9766 11.9766 14.4012 14.4012 k = 0.5000 0.5000 0.1585 ( 2016 PWs) bands (ev): -8.0697 -8.0697 -5.7187 -5.7187 -5.6439 -5.6439 -3.5467 -3.5467 -3.5357 -3.5357 -3.4238 -3.4238 2.2033 2.2033 2.4752 2.4752 2.5459 2.5459 4.0206 4.0206 8.9720 8.9720 9.9846 9.9846 11.7717 11.7717 14.5085 14.5085 k = 0.5000 0.5000 0.1707 ( 2016 PWs) bands (ev): -8.0634 -8.0634 -5.7182 -5.7182 -5.6465 -5.6465 -3.5438 -3.5438 -3.5410 -3.5410 -3.4258 -3.4258 2.2338 2.2338 2.5048 2.5048 2.5733 2.5733 3.9866 3.9866 8.8900 8.8900 9.9045 9.9045 11.5680 11.5680 14.6227 14.6227 k = 0.5000 0.5000 0.1829 ( 2016 PWs) bands (ev): -8.0569 -8.0569 -5.7177 -5.7177 -5.6493 -5.6493 -3.5466 -3.5466 -3.5407 -3.5407 -3.4278 -3.4278 2.2663 2.2663 2.5362 2.5362 2.6022 2.6022 3.9516 3.9516 8.8049 8.8049 9.8221 9.8221 11.3663 11.3663 14.7434 14.7434 k = 0.5000 0.5000 0.1951 ( 2020 PWs) bands (ev): -8.0500 -8.0500 -5.7171 -5.7171 -5.6522 -5.6522 -3.5523 -3.5523 -3.5374 -3.5374 -3.4299 -3.4299 2.3008 2.3008 2.5691 2.5691 2.6325 2.6325 3.9158 3.9158 8.7171 8.7171 9.7377 9.7377 11.1671 11.1671 14.8702 14.8702 k = 0.5000 0.5000 0.2073 ( 2020 PWs) bands (ev): -8.0429 -8.0429 -5.7166 -5.7166 -5.6552 -5.6552 -3.5582 -3.5582 -3.5340 -3.5340 -3.4321 -3.4321 2.3372 2.3372 2.6035 2.6035 2.6640 2.6640 3.8796 3.8796 8.6270 8.6270 9.6519 9.6519 10.9710 10.9710 15.0027 15.0027 k = 0.5000 0.5000 0.2195 ( 2016 PWs) bands (ev): -8.0357 -8.0357 -5.7162 -5.7162 -5.6583 -5.6583 -3.5642 -3.5642 -3.5305 -3.5305 -3.4343 -3.4343 2.3755 2.3755 2.6392 2.6392 2.6966 2.6966 3.8430 3.8430 8.5351 8.5351 9.5652 9.5652 10.7784 10.7784 15.1406 15.1406 k = 0.5000 0.5000 0.2317 ( 2016 PWs) bands (ev): -8.0283 -8.0283 -5.7157 -5.7157 -5.6615 -5.6615 -3.5704 -3.5704 -3.5270 -3.5270 -3.4365 -3.4365 2.4154 2.4154 2.6761 2.6761 2.7301 2.7301 3.8064 3.8064 8.4418 8.4418 9.4781 9.4781 10.5898 10.5898 15.2834 15.2834 k = 0.5000 0.5000 0.2439 ( 2016 PWs) bands (ev): -8.0208 -8.0208 -5.7152 -5.7152 -5.6647 -5.6647 -3.5765 -3.5765 -3.5233 -3.5233 -3.4388 -3.4388 2.4570 2.4570 2.7140 2.7140 2.7645 2.7645 3.7699 3.7699 8.3475 8.3475 9.3909 9.3909 10.4057 10.4057 15.4308 15.4308 k = 0.5000 0.5000 0.2561 ( 2016 PWs) bands (ev): -8.0132 -8.0132 -5.7148 -5.7148 -5.6680 -5.6680 -3.5827 -3.5827 -3.5196 -3.5196 -3.4411 -3.4411 2.5000 2.5000 2.7528 2.7528 2.7995 2.7995 3.7338 3.7338 8.2526 8.2526 9.3041 9.3041 10.2263 10.2263 15.5823 15.5823 k = 0.5000 0.5000 0.2683 ( 2000 PWs) bands (ev): -8.0056 -8.0056 -5.7144 -5.7144 -5.6713 -5.6713 -3.5888 -3.5888 -3.5159 -3.5159 -3.4434 -3.4434 2.5444 2.5444 2.7923 2.7923 2.8349 2.8349 3.6983 3.6983 8.1575 8.1575 9.2182 9.2182 10.0522 10.0522 15.7375 15.7375 k = 0.5000 0.5000 0.2805 ( 2000 PWs) bands (ev): -7.9981 -7.9981 -5.7141 -5.7141 -5.6746 -5.6746 -3.5949 -3.5949 -3.5122 -3.5122 -3.4456 -3.4456 2.5898 2.5898 2.8322 2.8322 2.8705 2.8705 3.6635 3.6635 8.0626 8.0626 9.1335 9.1335 9.8837 9.8837 15.8958 15.8958 k = 0.5000 0.5000 0.2927 ( 2000 PWs) bands (ev): -7.9906 -7.9906 -5.7137 -5.7137 -5.6779 -5.6779 -3.6010 -3.6010 -3.5084 -3.5084 -3.4479 -3.4479 2.6362 2.6362 2.8725 2.8725 2.9062 2.9062 3.6297 3.6297 7.9683 7.9683 9.0505 9.0505 9.7212 9.7212 16.0567 16.0567 k = 0.5000 0.5000 0.3049 ( 2000 PWs) bands (ev): -7.9832 -7.9832 -5.7134 -5.7134 -5.6811 -5.6811 -3.6068 -3.6068 -3.5048 -3.5048 -3.4500 -3.4500 2.6833 2.6833 2.9127 2.9127 2.9418 2.9418 3.5970 3.5970 7.8751 7.8751 8.9695 8.9695 9.5650 9.5650 16.2197 16.2197 k = 0.5000 0.5000 0.3171 ( 2000 PWs) bands (ev): -7.9760 -7.9760 -5.7132 -5.7132 -5.6843 -5.6843 -3.6126 -3.6126 -3.5012 -3.5012 -3.4522 -3.4522 2.7308 2.7308 2.9527 2.9527 2.9769 2.9769 3.5655 3.5655 7.7833 7.7833 8.8909 8.8909 9.4156 9.4156 16.3842 16.3842 k = 0.5000 0.5000 0.3293 ( 1984 PWs) bands (ev): -7.9690 -7.9690 -5.7129 -5.7129 -5.6874 -5.6874 -3.6181 -3.6181 -3.4976 -3.4976 -3.4542 -3.4542 2.7784 2.7784 2.9923 2.9923 3.0114 3.0114 3.5354 3.5354 7.6935 7.6935 8.8152 8.8152 9.2734 9.2734 16.5494 16.5494 k = 0.5000 0.5000 0.3415 ( 1992 PWs) bands (ev): -7.9622 -7.9622 -5.7127 -5.7127 -5.6904 -5.6904 -3.6234 -3.6234 -3.4942 -3.4942 -3.4562 -3.4562 2.8259 2.8259 3.0311 3.0311 3.0450 3.0450 3.5069 3.5069 7.6060 7.6060 8.7426 8.7426 9.1386 9.1386 16.7145 16.7145 k = 0.5000 0.5000 0.3537 ( 1992 PWs) bands (ev): -7.9558 -7.9558 -5.7125 -5.7125 -5.6932 -5.6932 -3.6285 -3.6285 -3.4910 -3.4910 -3.4581 -3.4581 2.8727 2.8727 3.0689 3.0689 3.0775 3.0775 3.4801 3.4801 7.5214 7.5214 8.6736 8.6736 9.0119 9.0119 16.8787 16.8787 k = 0.5000 0.5000 0.3659 ( 1976 PWs) bands (ev): -7.9496 -7.9496 -5.7124 -5.7124 -5.6959 -5.6959 -3.6332 -3.6332 -3.4879 -3.4879 -3.4598 -3.4598 2.9186 2.9186 3.1054 3.1054 3.1086 3.1086 3.4550 3.4550 7.4403 7.4403 8.6085 8.6085 8.8934 8.8934 17.0409 17.0409 k = 0.5000 0.5000 0.3780 ( 1976 PWs) bands (ev): -7.9439 -7.9439 -5.7123 -5.7123 -5.6985 -5.6985 -3.6377 -3.6377 -3.4850 -3.4850 -3.4615 -3.4615 2.9630 2.9630 3.1381 3.1381 3.1402 3.1402 3.4319 3.4319 7.3632 7.3632 8.5477 8.5477 8.7836 8.7836 17.1999 17.1999 k = 0.5000 0.5000 0.3902 ( 1976 PWs) bands (ev): -7.9386 -7.9386 -5.7121 -5.7121 -5.7009 -5.7009 -3.6418 -3.6418 -3.4822 -3.4822 -3.4630 -3.4630 3.0054 3.0054 3.1655 3.1655 3.1730 3.1730 3.4108 3.4108 7.2906 7.2906 8.4914 8.4914 8.6829 8.6829 17.3542 17.3542 k = 0.5000 0.5000 0.4024 ( 1968 PWs) bands (ev): -7.9337 -7.9337 -5.7121 -5.7121 -5.7031 -5.7031 -3.6455 -3.6455 -3.4798 -3.4798 -3.4644 -3.4644 3.0455 3.0455 3.1908 3.1908 3.2036 3.2036 3.3919 3.3919 7.2233 7.2233 8.4401 8.4401 8.5917 8.5917 17.5023 17.5023 k = 0.5000 0.5000 0.4146 ( 1968 PWs) bands (ev): -7.9293 -7.9293 -5.7120 -5.7120 -5.7051 -5.7051 -3.6489 -3.6489 -3.4775 -3.4775 -3.4657 -3.4657 3.0825 3.0825 3.2136 3.2136 3.2315 3.2315 3.3753 3.3753 7.1618 7.1618 8.3940 8.3940 8.5103 8.5103 17.6421 17.6421 k = 0.5000 0.5000 0.4268 ( 1976 PWs) bands (ev): -7.9254 -7.9254 -5.7119 -5.7119 -5.7068 -5.7068 -3.6518 -3.6518 -3.4755 -3.4755 -3.4668 -3.4668 3.1160 3.1160 3.2335 3.2335 3.2565 3.2565 3.3611 3.3611 7.1068 7.1068 8.3534 8.3534 8.4390 8.4390 17.7714 17.7714 k = 0.5000 0.5000 0.4390 ( 1976 PWs) bands (ev): -7.9221 -7.9221 -5.7119 -5.7119 -5.7083 -5.7083 -3.6544 -3.6544 -3.4739 -3.4739 -3.4677 -3.4677 3.1455 3.1455 3.2502 3.2502 3.2783 3.2783 3.3495 3.3495 7.0590 7.0590 8.3186 8.3186 8.3781 8.3781 17.8875 17.8875 k = 0.5000 0.5000 0.4512 ( 1984 PWs) bands (ev): -7.9194 -7.9194 -5.7119 -5.7119 -5.7096 -5.7096 -3.6565 -3.6565 -3.4724 -3.4724 -3.4685 -3.4685 3.1704 3.1704 3.2634 3.2634 3.2965 3.2965 3.3407 3.3407 7.0189 7.0189 8.2897 8.2897 8.3279 8.3279 17.9875 17.9875 k = 0.5000 0.5000 0.4634 ( 1996 PWs) bands (ev): -7.9172 -7.9172 -5.7118 -5.7118 -5.7105 -5.7105 -3.6581 -3.6581 -3.4713 -3.4713 -3.4691 -3.4691 3.1903 3.1903 3.2728 3.2728 3.3110 3.3110 3.3348 3.3348 6.9871 6.9871 8.2671 8.2671 8.2886 8.2886 18.0678 18.0678 k = 0.5000 0.5000 0.4756 ( 2008 PWs) bands (ev): -7.9157 -7.9157 -5.7118 -5.7118 -5.7112 -5.7112 -3.6593 -3.6593 -3.4705 -3.4705 -3.4696 -3.4696 3.2048 3.2048 3.2787 3.2787 3.3215 3.3215 3.3315 3.3315 6.9640 6.9640 8.2508 8.2508 8.2604 8.2604 18.1250 18.1250 k = 0.5000 0.5000 0.4878 ( 2008 PWs) bands (ev): -7.9148 -7.9148 -5.7118 -5.7118 -5.7117 -5.7117 -3.6600 -3.6600 -3.4701 -3.4701 -3.4698 -3.4698 3.2136 3.2136 3.2816 3.2816 3.3278 3.3278 3.3303 3.3303 6.9500 6.9500 8.2410 8.2410 8.2434 8.2434 18.1570 18.1570 k = 0.5000 0.5000 0.5000 ( 2008 PWs) bands (ev): -7.9144 -7.9144 -5.7118 -5.7118 -5.7118 -5.7118 -3.6602 -3.6602 -3.4699 -3.4699 -3.4699 -3.4699 3.2166 3.2166 3.2824 3.2824 3.3300 3.3300 3.3300 3.3300 6.9453 6.9453 8.2377 8.2377 8.2377 8.2377 18.1666 18.1666 Writing output data file TlCl.save init_run : 0.57s CPU 0.72s WALL ( 1 calls) electrons : 35.42s CPU 36.92s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 35.42s CPU 36.92s 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 : 0.03s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.03s WALL ( 316 calls) cegterg : 32.98s CPU 33.75s WALL ( 409 calls) Called by sum_band: Called by *egterg: h_psi : 12.23s CPU 12.65s WALL ( 6383 calls) s_psi : 0.76s CPU 0.77s WALL ( 6383 calls) g_psi : 0.04s CPU 0.05s WALL ( 5658 calls) cdiaghg : 18.81s CPU 19.22s WALL ( 5974 calls) cegterg:over : 1.06s CPU 1.07s WALL ( 5658 calls) cegterg:upda : 0.80s CPU 0.82s WALL ( 5658 calls) cegterg:last : 0.37s CPU 0.40s WALL ( 914 calls) cdiaghg:chol : 1.02s CPU 0.96s WALL ( 5974 calls) cdiaghg:inve : 0.36s CPU 0.44s WALL ( 5974 calls) cdiaghg:para : 1.33s CPU 1.18s WALL ( 11948 calls) Called by h_psi: h_psi:vloc : 10.54s CPU 10.92s WALL ( 6383 calls) h_psi:vnl : 1.67s CPU 1.70s WALL ( 6383 calls) add_vuspsi : 1.00s CPU 0.97s WALL ( 6383 calls) General routines calbec : 0.66s CPU 0.72s WALL ( 6383 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 9.98s CPU 10.29s WALL ( 311880 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.03s CPU 0.15s WALL ( 632 calls) Parallel routines fft_scatter : 6.23s CPU 6.42s WALL ( 311903 calls) PWSCF : 0m43.23s CPU 1m 8.25s WALL This run was terminated on: 17: 7:22 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=