Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 19:45: 9 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: ./SrHg.save/ file Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 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 51 21 6 1659 435 76 Max 52 22 7 1664 449 79 Sum 1861 761 241 59813 15895 2777 bravais-lattice index = 14 lattice parameter (alat) = 7.4739 a.u. unit-cell volume = 417.4803 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 22.00 number of Kohn-Sham states= 30 kinetic-energy cutoff = 43.0000 Ry charge density cutoff = 416.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.473866 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 Hg read from file: /users/gautes/Pseudo/Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: a7fd98bfb2640362c6e2ed76594f1960 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Sr read from file: /users/gautes/Pseudo/Sr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 971034ad0a3914f6282d12395b0824f8 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1221 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 Hg 12.00 200.59000 Hg( 1.00) Sr 10.00 87.62000 Sr( 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= 309 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032362 k( 2) = ( 0.0000000 0.0125000 -0.0000000), wk = 0.0032362 k( 3) = ( 0.0000000 0.0250000 -0.0000000), wk = 0.0032362 k( 4) = ( 0.0000000 0.0375000 -0.0000000), wk = 0.0032362 k( 5) = ( 0.0000000 0.0500000 -0.0000000), wk = 0.0032362 k( 6) = ( 0.0000000 0.0625000 -0.0000000), wk = 0.0032362 k( 7) = ( 0.0000000 0.0750000 -0.0000000), wk = 0.0032362 k( 8) = ( 0.0000000 0.0875000 -0.0000000), wk = 0.0032362 k( 9) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0032362 k( 10) = ( 0.0000000 0.1125000 -0.0000000), wk = 0.0032362 k( 11) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0032362 k( 12) = ( 0.0000000 0.1375000 -0.0000000), wk = 0.0032362 k( 13) = ( 0.0000000 0.1500000 -0.0000000), wk = 0.0032362 k( 14) = ( 0.0000000 0.1625000 -0.0000000), wk = 0.0032362 k( 15) = ( 0.0000000 0.1750000 -0.0000000), wk = 0.0032362 k( 16) = ( 0.0000000 0.1875000 -0.0000000), wk = 0.0032362 k( 17) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0032362 k( 18) = ( 0.0000000 0.2125000 -0.0000000), wk = 0.0032362 k( 19) = ( 0.0000000 0.2250000 -0.0000000), wk = 0.0032362 k( 20) = ( 0.0000000 0.2375000 -0.0000000), wk = 0.0032362 k( 21) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0032362 k( 22) = ( 0.0000000 0.2625000 -0.0000000), wk = 0.0032362 k( 23) = ( 0.0000000 0.2750000 -0.0000000), wk = 0.0032362 k( 24) = ( 0.0000000 0.2875000 -0.0000000), wk = 0.0032362 k( 25) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0032362 k( 26) = ( 0.0000000 0.3125000 -0.0000000), wk = 0.0032362 k( 27) = ( 0.0000000 0.3250000 -0.0000000), wk = 0.0032362 k( 28) = ( 0.0000000 0.3375000 -0.0000000), wk = 0.0032362 k( 29) = ( 0.0000000 0.3500000 -0.0000000), wk = 0.0032362 k( 30) = ( 0.0000000 0.3625000 -0.0000000), wk = 0.0032362 k( 31) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0032362 k( 32) = ( 0.0000000 0.3875000 -0.0000000), wk = 0.0032362 k( 33) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0032362 k( 34) = ( 0.0000000 0.4125000 -0.0000000), wk = 0.0032362 k( 35) = ( 0.0000000 0.4250000 -0.0000000), wk = 0.0032362 k( 36) = ( 0.0000000 0.4375000 -0.0000000), wk = 0.0032362 k( 37) = ( 0.0000000 0.4500000 -0.0000000), wk = 0.0032362 k( 38) = ( 0.0000000 0.4625000 -0.0000000), wk = 0.0032362 k( 39) = ( 0.0000000 0.4750000 -0.0000000), wk = 0.0032362 k( 40) = ( 0.0000000 0.4875000 -0.0000000), wk = 0.0032362 k( 41) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032362 k( 42) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032362 k( 43) = ( 0.0125000 0.5000000 -0.0000000), wk = 0.0032362 k( 44) = ( 0.0250000 0.5000000 -0.0000000), wk = 0.0032362 k( 45) = ( 0.0375000 0.5000000 -0.0000000), wk = 0.0032362 k( 46) = ( 0.0500000 0.5000000 -0.0000000), wk = 0.0032362 k( 47) = ( 0.0625000 0.5000000 -0.0000000), wk = 0.0032362 k( 48) = ( 0.0750000 0.5000000 -0.0000000), wk = 0.0032362 k( 49) = ( 0.0875000 0.5000000 -0.0000000), wk = 0.0032362 k( 50) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0032362 k( 51) = ( 0.1125000 0.5000000 -0.0000000), wk = 0.0032362 k( 52) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0032362 k( 53) = ( 0.1375000 0.5000000 -0.0000000), wk = 0.0032362 k( 54) = ( 0.1500000 0.5000000 -0.0000000), wk = 0.0032362 k( 55) = ( 0.1625000 0.5000000 -0.0000000), wk = 0.0032362 k( 56) = ( 0.1750000 0.5000000 -0.0000000), wk = 0.0032362 k( 57) = ( 0.1875000 0.5000000 -0.0000000), wk = 0.0032362 k( 58) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0032362 k( 59) = ( 0.2125000 0.5000000 -0.0000000), wk = 0.0032362 k( 60) = ( 0.2250000 0.5000000 -0.0000000), wk = 0.0032362 k( 61) = ( 0.2375000 0.5000000 -0.0000000), wk = 0.0032362 k( 62) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0032362 k( 63) = ( 0.2625000 0.5000000 -0.0000000), wk = 0.0032362 k( 64) = ( 0.2750000 0.5000000 -0.0000000), wk = 0.0032362 k( 65) = ( 0.2875000 0.5000000 -0.0000000), wk = 0.0032362 k( 66) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0032362 k( 67) = ( 0.3125000 0.5000000 -0.0000000), wk = 0.0032362 k( 68) = ( 0.3250000 0.5000000 -0.0000000), wk = 0.0032362 k( 69) = ( 0.3375000 0.5000000 -0.0000000), wk = 0.0032362 k( 70) = ( 0.3500000 0.5000000 -0.0000000), wk = 0.0032362 k( 71) = ( 0.3625000 0.5000000 -0.0000000), wk = 0.0032362 k( 72) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0032362 k( 73) = ( 0.3875000 0.5000000 -0.0000000), wk = 0.0032362 k( 74) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0032362 k( 75) = ( 0.4125000 0.5000000 -0.0000000), wk = 0.0032362 k( 76) = ( 0.4250000 0.5000000 -0.0000000), wk = 0.0032362 k( 77) = ( 0.4375000 0.5000000 -0.0000000), wk = 0.0032362 k( 78) = ( 0.4500000 0.5000000 -0.0000000), wk = 0.0032362 k( 79) = ( 0.4625000 0.5000000 -0.0000000), wk = 0.0032362 k( 80) = ( 0.4750000 0.5000000 -0.0000000), wk = 0.0032362 k( 81) = ( 0.4875000 0.5000000 -0.0000000), wk = 0.0032362 k( 82) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032362 k( 83) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032362 k( 84) = ( 0.4912281 0.4912281 -0.0000000), wk = 0.0032362 k( 85) = ( 0.4824561 0.4824561 -0.0000000), wk = 0.0032362 k( 86) = ( 0.4736842 0.4736842 -0.0000000), wk = 0.0032362 k( 87) = ( 0.4649123 0.4649123 -0.0000000), wk = 0.0032362 k( 88) = ( 0.4561404 0.4561403 -0.0000000), wk = 0.0032362 k( 89) = ( 0.4473684 0.4473684 -0.0000000), wk = 0.0032362 k( 90) = ( 0.4385965 0.4385965 -0.0000000), wk = 0.0032362 k( 91) = ( 0.4298246 0.4298246 -0.0000000), wk = 0.0032362 k( 92) = ( 0.4210526 0.4210526 -0.0000000), wk = 0.0032362 k( 93) = ( 0.4122807 0.4122807 -0.0000000), wk = 0.0032362 k( 94) = ( 0.4035088 0.4035088 -0.0000000), wk = 0.0032362 k( 95) = ( 0.3947368 0.3947368 -0.0000000), wk = 0.0032362 k( 96) = ( 0.3859649 0.3859649 -0.0000000), wk = 0.0032362 k( 97) = ( 0.3771930 0.3771930 -0.0000000), wk = 0.0032362 k( 98) = ( 0.3684211 0.3684210 -0.0000000), wk = 0.0032362 k( 99) = ( 0.3596491 0.3596491 -0.0000000), wk = 0.0032362 k( 100) = ( 0.3508772 0.3508772 -0.0000000), wk = 0.0032362 k( 101) = ( 0.3421053 0.3421053 -0.0000000), wk = 0.0032362 k( 102) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0032362 k( 103) = ( 0.3245614 0.3245614 -0.0000000), wk = 0.0032362 k( 104) = ( 0.3157895 0.3157895 -0.0000000), wk = 0.0032362 k( 105) = ( 0.3070175 0.3070175 -0.0000000), wk = 0.0032362 k( 106) = ( 0.2982456 0.2982456 -0.0000000), wk = 0.0032362 k( 107) = ( 0.2894737 0.2894737 -0.0000000), wk = 0.0032362 k( 108) = ( 0.2807018 0.2807017 -0.0000000), wk = 0.0032362 k( 109) = ( 0.2719298 0.2719298 -0.0000000), wk = 0.0032362 k( 110) = ( 0.2631579 0.2631579 -0.0000000), wk = 0.0032362 k( 111) = ( 0.2543860 0.2543860 -0.0000000), wk = 0.0032362 k( 112) = ( 0.2456140 0.2456140 -0.0000000), wk = 0.0032362 k( 113) = ( 0.2368421 0.2368421 -0.0000000), wk = 0.0032362 k( 114) = ( 0.2280702 0.2280702 -0.0000000), wk = 0.0032362 k( 115) = ( 0.2192983 0.2192982 -0.0000000), wk = 0.0032362 k( 116) = ( 0.2105263 0.2105263 -0.0000000), wk = 0.0032362 k( 117) = ( 0.2017544 0.2017544 -0.0000000), wk = 0.0032362 k( 118) = ( 0.1929825 0.1929825 -0.0000000), wk = 0.0032362 k( 119) = ( 0.1842105 0.1842105 -0.0000000), wk = 0.0032362 k( 120) = ( 0.1754386 0.1754386 -0.0000000), wk = 0.0032362 k( 121) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0032362 k( 122) = ( 0.1578947 0.1578947 -0.0000000), wk = 0.0032362 k( 123) = ( 0.1491228 0.1491228 -0.0000000), wk = 0.0032362 k( 124) = ( 0.1403509 0.1403509 -0.0000000), wk = 0.0032362 k( 125) = ( 0.1315790 0.1315790 -0.0000000), wk = 0.0032362 k( 126) = ( 0.1228070 0.1228070 -0.0000000), wk = 0.0032362 k( 127) = ( 0.1140351 0.1140351 -0.0000000), wk = 0.0032362 k( 128) = ( 0.1052632 0.1052632 -0.0000000), wk = 0.0032362 k( 129) = ( 0.0964912 0.0964912 -0.0000000), wk = 0.0032362 k( 130) = ( 0.0877193 0.0877193 -0.0000000), wk = 0.0032362 k( 131) = ( 0.0789474 0.0789474 -0.0000000), wk = 0.0032362 k( 132) = ( 0.0701754 0.0701754 -0.0000000), wk = 0.0032362 k( 133) = ( 0.0614035 0.0614035 -0.0000000), wk = 0.0032362 k( 134) = ( 0.0526316 0.0526316 -0.0000000), wk = 0.0032362 k( 135) = ( 0.0438597 0.0438596 -0.0000000), wk = 0.0032362 k( 136) = ( 0.0350877 0.0350877 -0.0000000), wk = 0.0032362 k( 137) = ( 0.0263158 0.0263158 -0.0000000), wk = 0.0032362 k( 138) = ( 0.0175439 0.0175439 -0.0000000), wk = 0.0032362 k( 139) = ( 0.0087719 0.0087719 -0.0000000), wk = 0.0032362 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032362 k( 141) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032362 k( 142) = ( 0.0072464 0.0072464 0.0072464), wk = 0.0032362 k( 143) = ( 0.0144928 0.0144927 0.0144927), wk = 0.0032362 k( 144) = ( 0.0217391 0.0217391 0.0217391), wk = 0.0032362 k( 145) = ( 0.0289855 0.0289855 0.0289855), wk = 0.0032362 k( 146) = ( 0.0362319 0.0362319 0.0362319), wk = 0.0032362 k( 147) = ( 0.0434783 0.0434783 0.0434783), wk = 0.0032362 k( 148) = ( 0.0507246 0.0507246 0.0507246), wk = 0.0032362 k( 149) = ( 0.0579710 0.0579710 0.0579710), wk = 0.0032362 k( 150) = ( 0.0652174 0.0652174 0.0652174), wk = 0.0032362 k( 151) = ( 0.0724638 0.0724638 0.0724638), wk = 0.0032362 k( 152) = ( 0.0797101 0.0797101 0.0797101), wk = 0.0032362 k( 153) = ( 0.0869565 0.0869565 0.0869565), wk = 0.0032362 k( 154) = ( 0.0942029 0.0942029 0.0942029), wk = 0.0032362 k( 155) = ( 0.1014493 0.1014493 0.1014493), wk = 0.0032362 k( 156) = ( 0.1086957 0.1086956 0.1086956), wk = 0.0032362 k( 157) = ( 0.1159420 0.1159420 0.1159420), wk = 0.0032362 k( 158) = ( 0.1231884 0.1231884 0.1231884), wk = 0.0032362 k( 159) = ( 0.1304348 0.1304348 0.1304348), wk = 0.0032362 k( 160) = ( 0.1376812 0.1376812 0.1376812), wk = 0.0032362 k( 161) = ( 0.1449275 0.1449275 0.1449275), wk = 0.0032362 k( 162) = ( 0.1521739 0.1521739 0.1521739), wk = 0.0032362 k( 163) = ( 0.1594203 0.1594203 0.1594203), wk = 0.0032362 k( 164) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0032362 k( 165) = ( 0.1739130 0.1739130 0.1739130), wk = 0.0032362 k( 166) = ( 0.1811594 0.1811594 0.1811594), wk = 0.0032362 k( 167) = ( 0.1884058 0.1884058 0.1884058), wk = 0.0032362 k( 168) = ( 0.1956522 0.1956522 0.1956522), wk = 0.0032362 k( 169) = ( 0.2028986 0.2028985 0.2028985), wk = 0.0032362 k( 170) = ( 0.2101449 0.2101449 0.2101449), wk = 0.0032362 k( 171) = ( 0.2173913 0.2173913 0.2173913), wk = 0.0032362 k( 172) = ( 0.2246377 0.2246377 0.2246377), wk = 0.0032362 k( 173) = ( 0.2318841 0.2318841 0.2318841), wk = 0.0032362 k( 174) = ( 0.2391304 0.2391304 0.2391304), wk = 0.0032362 k( 175) = ( 0.2463768 0.2463768 0.2463768), wk = 0.0032362 k( 176) = ( 0.2536232 0.2536232 0.2536232), wk = 0.0032362 k( 177) = ( 0.2608696 0.2608696 0.2608696), wk = 0.0032362 k( 178) = ( 0.2681159 0.2681159 0.2681159), wk = 0.0032362 k( 179) = ( 0.2753623 0.2753623 0.2753623), wk = 0.0032362 k( 180) = ( 0.2826087 0.2826087 0.2826087), wk = 0.0032362 k( 181) = ( 0.2898551 0.2898551 0.2898551), wk = 0.0032362 k( 182) = ( 0.2971014 0.2971014 0.2971014), wk = 0.0032362 k( 183) = ( 0.3043478 0.3043478 0.3043478), wk = 0.0032362 k( 184) = ( 0.3115942 0.3115942 0.3115942), wk = 0.0032362 k( 185) = ( 0.3188406 0.3188406 0.3188406), wk = 0.0032362 k( 186) = ( 0.3260870 0.3260870 0.3260870), wk = 0.0032362 k( 187) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0032362 k( 188) = ( 0.3405797 0.3405797 0.3405797), wk = 0.0032362 k( 189) = ( 0.3478261 0.3478261 0.3478261), wk = 0.0032362 k( 190) = ( 0.3550725 0.3550725 0.3550725), wk = 0.0032362 k( 191) = ( 0.3623188 0.3623188 0.3623188), wk = 0.0032362 k( 192) = ( 0.3695652 0.3695652 0.3695652), wk = 0.0032362 k( 193) = ( 0.3768116 0.3768116 0.3768116), wk = 0.0032362 k( 194) = ( 0.3840580 0.3840580 0.3840580), wk = 0.0032362 k( 195) = ( 0.3913044 0.3913043 0.3913043), wk = 0.0032362 k( 196) = ( 0.3985507 0.3985507 0.3985507), wk = 0.0032362 k( 197) = ( 0.4057971 0.4057971 0.4057971), wk = 0.0032362 k( 198) = ( 0.4130435 0.4130435 0.4130435), wk = 0.0032362 k( 199) = ( 0.4202899 0.4202899 0.4202899), wk = 0.0032362 k( 200) = ( 0.4275362 0.4275362 0.4275362), wk = 0.0032362 k( 201) = ( 0.4347826 0.4347826 0.4347826), wk = 0.0032362 k( 202) = ( 0.4420290 0.4420290 0.4420290), wk = 0.0032362 k( 203) = ( 0.4492754 0.4492754 0.4492754), wk = 0.0032362 k( 204) = ( 0.4565217 0.4565217 0.4565217), wk = 0.0032362 k( 205) = ( 0.4637681 0.4637681 0.4637681), wk = 0.0032362 k( 206) = ( 0.4710145 0.4710145 0.4710145), wk = 0.0032362 k( 207) = ( 0.4782609 0.4782609 0.4782609), wk = 0.0032362 k( 208) = ( 0.4855073 0.4855072 0.4855072), wk = 0.0032362 k( 209) = ( 0.4927536 0.4927536 0.4927536), wk = 0.0032362 k( 210) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032362 k( 211) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032362 k( 212) = ( 0.4912281 0.5000000 0.4912281), wk = 0.0032362 k( 213) = ( 0.4824561 0.5000000 0.4824561), wk = 0.0032362 k( 214) = ( 0.4736842 0.5000000 0.4736842), wk = 0.0032362 k( 215) = ( 0.4649123 0.5000000 0.4649123), wk = 0.0032362 k( 216) = ( 0.4561404 0.5000000 0.4561403), wk = 0.0032362 k( 217) = ( 0.4473684 0.5000000 0.4473684), wk = 0.0032362 k( 218) = ( 0.4385965 0.5000000 0.4385965), wk = 0.0032362 k( 219) = ( 0.4298246 0.5000000 0.4298246), wk = 0.0032362 k( 220) = ( 0.4210526 0.5000000 0.4210526), wk = 0.0032362 k( 221) = ( 0.4122807 0.5000000 0.4122807), wk = 0.0032362 k( 222) = ( 0.4035088 0.5000000 0.4035088), wk = 0.0032362 k( 223) = ( 0.3947368 0.5000000 0.3947368), wk = 0.0032362 k( 224) = ( 0.3859649 0.5000000 0.3859649), wk = 0.0032362 k( 225) = ( 0.3771930 0.5000000 0.3771930), wk = 0.0032362 k( 226) = ( 0.3684211 0.5000000 0.3684210), wk = 0.0032362 k( 227) = ( 0.3596491 0.5000000 0.3596491), wk = 0.0032362 k( 228) = ( 0.3508772 0.5000000 0.3508772), wk = 0.0032362 k( 229) = ( 0.3421053 0.5000000 0.3421053), wk = 0.0032362 k( 230) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0032362 k( 231) = ( 0.3245614 0.5000000 0.3245614), wk = 0.0032362 k( 232) = ( 0.3157895 0.5000000 0.3157895), wk = 0.0032362 k( 233) = ( 0.3070175 0.5000000 0.3070175), wk = 0.0032362 k( 234) = ( 0.2982456 0.5000000 0.2982456), wk = 0.0032362 k( 235) = ( 0.2894737 0.5000000 0.2894737), wk = 0.0032362 k( 236) = ( 0.2807018 0.5000000 0.2807017), wk = 0.0032362 k( 237) = ( 0.2719298 0.5000000 0.2719298), wk = 0.0032362 k( 238) = ( 0.2631579 0.5000000 0.2631579), wk = 0.0032362 k( 239) = ( 0.2543860 0.5000000 0.2543860), wk = 0.0032362 k( 240) = ( 0.2456140 0.5000000 0.2456140), wk = 0.0032362 k( 241) = ( 0.2368421 0.5000000 0.2368421), wk = 0.0032362 k( 242) = ( 0.2280702 0.5000000 0.2280702), wk = 0.0032362 k( 243) = ( 0.2192983 0.5000000 0.2192982), wk = 0.0032362 k( 244) = ( 0.2105263 0.5000000 0.2105263), wk = 0.0032362 k( 245) = ( 0.2017544 0.5000000 0.2017544), wk = 0.0032362 k( 246) = ( 0.1929825 0.5000000 0.1929825), wk = 0.0032362 k( 247) = ( 0.1842105 0.5000000 0.1842105), wk = 0.0032362 k( 248) = ( 0.1754386 0.5000000 0.1754386), wk = 0.0032362 k( 249) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0032362 k( 250) = ( 0.1578947 0.5000000 0.1578947), wk = 0.0032362 k( 251) = ( 0.1491228 0.5000000 0.1491228), wk = 0.0032362 k( 252) = ( 0.1403509 0.5000000 0.1403509), wk = 0.0032362 k( 253) = ( 0.1315790 0.5000000 0.1315789), wk = 0.0032362 k( 254) = ( 0.1228070 0.5000000 0.1228070), wk = 0.0032362 k( 255) = ( 0.1140351 0.5000000 0.1140351), wk = 0.0032362 k( 256) = ( 0.1052632 0.5000000 0.1052632), wk = 0.0032362 k( 257) = ( 0.0964912 0.5000000 0.0964912), wk = 0.0032362 k( 258) = ( 0.0877193 0.5000000 0.0877193), wk = 0.0032362 k( 259) = ( 0.0789474 0.5000000 0.0789474), wk = 0.0032362 k( 260) = ( 0.0701754 0.5000000 0.0701754), wk = 0.0032362 k( 261) = ( 0.0614035 0.5000000 0.0614035), wk = 0.0032362 k( 262) = ( 0.0526316 0.5000000 0.0526316), wk = 0.0032362 k( 263) = ( 0.0438597 0.5000000 0.0438596), wk = 0.0032362 k( 264) = ( 0.0350877 0.5000000 0.0350877), wk = 0.0032362 k( 265) = ( 0.0263158 0.5000000 0.0263158), wk = 0.0032362 k( 266) = ( 0.0175439 0.5000000 0.0175439), wk = 0.0032362 k( 267) = ( 0.0087719 0.5000000 0.0087719), wk = 0.0032362 k( 268) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032362 k( 269) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032362 k( 270) = ( 0.5000000 0.5000000 0.0125000), wk = 0.0032362 k( 271) = ( 0.5000000 0.5000000 0.0250000), wk = 0.0032362 k( 272) = ( 0.5000000 0.5000000 0.0375000), wk = 0.0032362 k( 273) = ( 0.5000000 0.5000000 0.0500000), wk = 0.0032362 k( 274) = ( 0.5000000 0.5000000 0.0625000), wk = 0.0032362 k( 275) = ( 0.5000000 0.5000000 0.0750000), wk = 0.0032362 k( 276) = ( 0.5000000 0.5000000 0.0875000), wk = 0.0032362 k( 277) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0032362 k( 278) = ( 0.5000000 0.5000000 0.1125000), wk = 0.0032362 k( 279) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0032362 k( 280) = ( 0.5000000 0.5000000 0.1375000), wk = 0.0032362 k( 281) = ( 0.5000000 0.5000000 0.1500000), wk = 0.0032362 k( 282) = ( 0.5000000 0.5000000 0.1625000), wk = 0.0032362 k( 283) = ( 0.5000000 0.5000000 0.1750000), wk = 0.0032362 k( 284) = ( 0.5000000 0.5000000 0.1875000), wk = 0.0032362 k( 285) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0032362 k( 286) = ( 0.5000000 0.5000000 0.2125000), wk = 0.0032362 k( 287) = ( 0.5000000 0.5000000 0.2250000), wk = 0.0032362 k( 288) = ( 0.5000000 0.5000000 0.2375000), wk = 0.0032362 k( 289) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0032362 k( 290) = ( 0.5000000 0.5000000 0.2625000), wk = 0.0032362 k( 291) = ( 0.5000000 0.5000000 0.2750000), wk = 0.0032362 k( 292) = ( 0.5000000 0.5000000 0.2875000), wk = 0.0032362 k( 293) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0032362 k( 294) = ( 0.5000000 0.5000000 0.3125000), wk = 0.0032362 k( 295) = ( 0.5000000 0.5000000 0.3250000), wk = 0.0032362 k( 296) = ( 0.5000000 0.5000000 0.3375000), wk = 0.0032362 k( 297) = ( 0.5000000 0.5000000 0.3500000), wk = 0.0032362 k( 298) = ( 0.5000000 0.5000000 0.3625000), wk = 0.0032362 k( 299) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0032362 k( 300) = ( 0.5000000 0.5000000 0.3875000), wk = 0.0032362 k( 301) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0032362 k( 302) = ( 0.5000000 0.5000000 0.4125000), wk = 0.0032362 k( 303) = ( 0.5000000 0.5000000 0.4250000), wk = 0.0032362 k( 304) = ( 0.5000000 0.5000000 0.4375000), wk = 0.0032362 k( 305) = ( 0.5000000 0.5000000 0.4500000), wk = 0.0032362 k( 306) = ( 0.5000000 0.5000000 0.4625000), wk = 0.0032362 k( 307) = ( 0.5000000 0.5000000 0.4750000), wk = 0.0032362 k( 308) = ( 0.5000000 0.5000000 0.4875000), wk = 0.0032362 k( 309) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032362 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032362 k( 2) = ( 0.0000000 0.0125000 0.0000000), wk = 0.0032362 k( 3) = ( 0.0000000 0.0250000 0.0000000), wk = 0.0032362 k( 4) = ( 0.0000000 0.0375000 0.0000000), wk = 0.0032362 k( 5) = ( 0.0000000 0.0500000 0.0000000), wk = 0.0032362 k( 6) = ( 0.0000000 0.0625000 0.0000000), wk = 0.0032362 k( 7) = ( 0.0000000 0.0750000 0.0000000), wk = 0.0032362 k( 8) = ( 0.0000000 0.0875000 0.0000000), wk = 0.0032362 k( 9) = ( 0.0000000 0.1000000 0.0000000), wk = 0.0032362 k( 10) = ( 0.0000000 0.1125000 0.0000000), wk = 0.0032362 k( 11) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0032362 k( 12) = ( 0.0000000 0.1375000 0.0000000), wk = 0.0032362 k( 13) = ( 0.0000000 0.1500000 0.0000000), wk = 0.0032362 k( 14) = ( 0.0000000 0.1625000 0.0000000), wk = 0.0032362 k( 15) = ( 0.0000000 0.1750000 0.0000000), wk = 0.0032362 k( 16) = ( 0.0000000 0.1875000 0.0000000), wk = 0.0032362 k( 17) = ( 0.0000000 0.2000000 0.0000000), wk = 0.0032362 k( 18) = ( 0.0000000 0.2125000 0.0000000), wk = 0.0032362 k( 19) = ( 0.0000000 0.2250000 0.0000000), wk = 0.0032362 k( 20) = ( 0.0000000 0.2375000 0.0000000), wk = 0.0032362 k( 21) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0032362 k( 22) = ( 0.0000000 0.2625000 0.0000000), wk = 0.0032362 k( 23) = ( 0.0000000 0.2750000 0.0000000), wk = 0.0032362 k( 24) = ( 0.0000000 0.2875000 0.0000000), wk = 0.0032362 k( 25) = ( 0.0000000 0.3000000 0.0000000), wk = 0.0032362 k( 26) = ( 0.0000000 0.3125000 0.0000000), wk = 0.0032362 k( 27) = ( 0.0000000 0.3250000 0.0000000), wk = 0.0032362 k( 28) = ( 0.0000000 0.3375000 0.0000000), wk = 0.0032362 k( 29) = ( 0.0000000 0.3500000 0.0000000), wk = 0.0032362 k( 30) = ( 0.0000000 0.3625000 0.0000000), wk = 0.0032362 k( 31) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0032362 k( 32) = ( 0.0000000 0.3875000 0.0000000), wk = 0.0032362 k( 33) = ( 0.0000000 0.4000000 0.0000000), wk = 0.0032362 k( 34) = ( 0.0000000 0.4125000 0.0000000), wk = 0.0032362 k( 35) = ( 0.0000000 0.4250000 0.0000000), wk = 0.0032362 k( 36) = ( 0.0000000 0.4375000 0.0000000), wk = 0.0032362 k( 37) = ( 0.0000000 0.4500000 0.0000000), wk = 0.0032362 k( 38) = ( 0.0000000 0.4625000 0.0000000), wk = 0.0032362 k( 39) = ( 0.0000000 0.4750000 0.0000000), wk = 0.0032362 k( 40) = ( 0.0000000 0.4875000 0.0000000), wk = 0.0032362 k( 41) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032362 k( 42) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032362 k( 43) = ( 0.0125000 0.5000000 0.0000000), wk = 0.0032362 k( 44) = ( 0.0250000 0.5000000 0.0000000), wk = 0.0032362 k( 45) = ( 0.0375000 0.5000000 0.0000000), wk = 0.0032362 k( 46) = ( 0.0500000 0.5000000 0.0000000), wk = 0.0032362 k( 47) = ( 0.0625000 0.5000000 0.0000000), wk = 0.0032362 k( 48) = ( 0.0750000 0.5000000 0.0000000), wk = 0.0032362 k( 49) = ( 0.0875000 0.5000000 0.0000000), wk = 0.0032362 k( 50) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0032362 k( 51) = ( 0.1125000 0.5000000 0.0000000), wk = 0.0032362 k( 52) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0032362 k( 53) = ( 0.1375000 0.5000000 0.0000000), wk = 0.0032362 k( 54) = ( 0.1500000 0.5000000 0.0000000), wk = 0.0032362 k( 55) = ( 0.1625000 0.5000000 0.0000000), wk = 0.0032362 k( 56) = ( 0.1750000 0.5000000 0.0000000), wk = 0.0032362 k( 57) = ( 0.1875000 0.5000000 0.0000000), wk = 0.0032362 k( 58) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0032362 k( 59) = ( 0.2125000 0.5000000 0.0000000), wk = 0.0032362 k( 60) = ( 0.2250000 0.5000000 0.0000000), wk = 0.0032362 k( 61) = ( 0.2375000 0.5000000 0.0000000), wk = 0.0032362 k( 62) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0032362 k( 63) = ( 0.2625000 0.5000000 0.0000000), wk = 0.0032362 k( 64) = ( 0.2750000 0.5000000 0.0000000), wk = 0.0032362 k( 65) = ( 0.2875000 0.5000000 0.0000000), wk = 0.0032362 k( 66) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0032362 k( 67) = ( 0.3125000 0.5000000 0.0000000), wk = 0.0032362 k( 68) = ( 0.3250000 0.5000000 0.0000000), wk = 0.0032362 k( 69) = ( 0.3375000 0.5000000 0.0000000), wk = 0.0032362 k( 70) = ( 0.3500000 0.5000000 0.0000000), wk = 0.0032362 k( 71) = ( 0.3625000 0.5000000 0.0000000), wk = 0.0032362 k( 72) = ( 0.3750000 0.5000000 0.0000000), wk = 0.0032362 k( 73) = ( 0.3875000 0.5000000 0.0000000), wk = 0.0032362 k( 74) = ( 0.4000000 0.5000000 0.0000000), wk = 0.0032362 k( 75) = ( 0.4125000 0.5000000 0.0000000), wk = 0.0032362 k( 76) = ( 0.4250000 0.5000000 0.0000000), wk = 0.0032362 k( 77) = ( 0.4375000 0.5000000 0.0000000), wk = 0.0032362 k( 78) = ( 0.4500000 0.5000000 0.0000000), wk = 0.0032362 k( 79) = ( 0.4625000 0.5000000 0.0000000), wk = 0.0032362 k( 80) = ( 0.4750000 0.5000000 0.0000000), wk = 0.0032362 k( 81) = ( 0.4875000 0.5000000 0.0000000), wk = 0.0032362 k( 82) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032362 k( 83) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032362 k( 84) = ( 0.4912281 0.4912281 0.0000000), wk = 0.0032362 k( 85) = ( 0.4824561 0.4824561 0.0000000), wk = 0.0032362 k( 86) = ( 0.4736842 0.4736842 0.0000000), wk = 0.0032362 k( 87) = ( 0.4649123 0.4649123 0.0000000), wk = 0.0032362 k( 88) = ( 0.4561404 0.4561404 0.0000000), wk = 0.0032362 k( 89) = ( 0.4473684 0.4473684 0.0000000), wk = 0.0032362 k( 90) = ( 0.4385965 0.4385965 0.0000000), wk = 0.0032362 k( 91) = ( 0.4298246 0.4298246 0.0000000), wk = 0.0032362 k( 92) = ( 0.4210526 0.4210526 0.0000000), wk = 0.0032362 k( 93) = ( 0.4122807 0.4122807 0.0000000), wk = 0.0032362 k( 94) = ( 0.4035088 0.4035088 0.0000000), wk = 0.0032362 k( 95) = ( 0.3947368 0.3947368 0.0000000), wk = 0.0032362 k( 96) = ( 0.3859649 0.3859649 0.0000000), wk = 0.0032362 k( 97) = ( 0.3771930 0.3771930 0.0000000), wk = 0.0032362 k( 98) = ( 0.3684211 0.3684211 0.0000000), wk = 0.0032362 k( 99) = ( 0.3596491 0.3596491 0.0000000), wk = 0.0032362 k( 100) = ( 0.3508772 0.3508772 0.0000000), wk = 0.0032362 k( 101) = ( 0.3421053 0.3421053 0.0000000), wk = 0.0032362 k( 102) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0032362 k( 103) = ( 0.3245614 0.3245614 0.0000000), wk = 0.0032362 k( 104) = ( 0.3157895 0.3157895 0.0000000), wk = 0.0032362 k( 105) = ( 0.3070175 0.3070175 0.0000000), wk = 0.0032362 k( 106) = ( 0.2982456 0.2982456 0.0000000), wk = 0.0032362 k( 107) = ( 0.2894737 0.2894737 0.0000000), wk = 0.0032362 k( 108) = ( 0.2807018 0.2807018 0.0000000), wk = 0.0032362 k( 109) = ( 0.2719298 0.2719298 0.0000000), wk = 0.0032362 k( 110) = ( 0.2631579 0.2631579 0.0000000), wk = 0.0032362 k( 111) = ( 0.2543860 0.2543860 0.0000000), wk = 0.0032362 k( 112) = ( 0.2456140 0.2456140 0.0000000), wk = 0.0032362 k( 113) = ( 0.2368421 0.2368421 0.0000000), wk = 0.0032362 k( 114) = ( 0.2280702 0.2280702 0.0000000), wk = 0.0032362 k( 115) = ( 0.2192983 0.2192983 0.0000000), wk = 0.0032362 k( 116) = ( 0.2105263 0.2105263 0.0000000), wk = 0.0032362 k( 117) = ( 0.2017544 0.2017544 0.0000000), wk = 0.0032362 k( 118) = ( 0.1929825 0.1929825 0.0000000), wk = 0.0032362 k( 119) = ( 0.1842105 0.1842105 0.0000000), wk = 0.0032362 k( 120) = ( 0.1754386 0.1754386 0.0000000), wk = 0.0032362 k( 121) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0032362 k( 122) = ( 0.1578947 0.1578947 0.0000000), wk = 0.0032362 k( 123) = ( 0.1491228 0.1491228 0.0000000), wk = 0.0032362 k( 124) = ( 0.1403509 0.1403509 0.0000000), wk = 0.0032362 k( 125) = ( 0.1315790 0.1315790 0.0000000), wk = 0.0032362 k( 126) = ( 0.1228070 0.1228070 0.0000000), wk = 0.0032362 k( 127) = ( 0.1140351 0.1140351 0.0000000), wk = 0.0032362 k( 128) = ( 0.1052632 0.1052632 0.0000000), wk = 0.0032362 k( 129) = ( 0.0964912 0.0964912 0.0000000), wk = 0.0032362 k( 130) = ( 0.0877193 0.0877193 0.0000000), wk = 0.0032362 k( 131) = ( 0.0789474 0.0789474 0.0000000), wk = 0.0032362 k( 132) = ( 0.0701754 0.0701754 0.0000000), wk = 0.0032362 k( 133) = ( 0.0614035 0.0614035 0.0000000), wk = 0.0032362 k( 134) = ( 0.0526316 0.0526316 0.0000000), wk = 0.0032362 k( 135) = ( 0.0438597 0.0438597 0.0000000), wk = 0.0032362 k( 136) = ( 0.0350877 0.0350877 0.0000000), wk = 0.0032362 k( 137) = ( 0.0263158 0.0263158 0.0000000), wk = 0.0032362 k( 138) = ( 0.0175439 0.0175439 0.0000000), wk = 0.0032362 k( 139) = ( 0.0087719 0.0087719 0.0000000), wk = 0.0032362 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032362 k( 141) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032362 k( 142) = ( 0.0072464 0.0072464 0.0072464), wk = 0.0032362 k( 143) = ( 0.0144928 0.0144928 0.0144928), wk = 0.0032362 k( 144) = ( 0.0217391 0.0217391 0.0217391), wk = 0.0032362 k( 145) = ( 0.0289855 0.0289855 0.0289855), wk = 0.0032362 k( 146) = ( 0.0362319 0.0362319 0.0362319), wk = 0.0032362 k( 147) = ( 0.0434783 0.0434783 0.0434783), wk = 0.0032362 k( 148) = ( 0.0507246 0.0507246 0.0507246), wk = 0.0032362 k( 149) = ( 0.0579710 0.0579710 0.0579710), wk = 0.0032362 k( 150) = ( 0.0652174 0.0652174 0.0652174), wk = 0.0032362 k( 151) = ( 0.0724638 0.0724638 0.0724638), wk = 0.0032362 k( 152) = ( 0.0797101 0.0797101 0.0797101), wk = 0.0032362 k( 153) = ( 0.0869565 0.0869565 0.0869565), wk = 0.0032362 k( 154) = ( 0.0942029 0.0942029 0.0942029), wk = 0.0032362 k( 155) = ( 0.1014493 0.1014493 0.1014493), wk = 0.0032362 k( 156) = ( 0.1086957 0.1086957 0.1086957), wk = 0.0032362 k( 157) = ( 0.1159420 0.1159420 0.1159420), wk = 0.0032362 k( 158) = ( 0.1231884 0.1231884 0.1231884), wk = 0.0032362 k( 159) = ( 0.1304348 0.1304348 0.1304348), wk = 0.0032362 k( 160) = ( 0.1376812 0.1376812 0.1376812), wk = 0.0032362 k( 161) = ( 0.1449275 0.1449275 0.1449275), wk = 0.0032362 k( 162) = ( 0.1521739 0.1521739 0.1521739), wk = 0.0032362 k( 163) = ( 0.1594203 0.1594203 0.1594203), wk = 0.0032362 k( 164) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0032362 k( 165) = ( 0.1739130 0.1739130 0.1739130), wk = 0.0032362 k( 166) = ( 0.1811594 0.1811594 0.1811594), wk = 0.0032362 k( 167) = ( 0.1884058 0.1884058 0.1884058), wk = 0.0032362 k( 168) = ( 0.1956522 0.1956522 0.1956522), wk = 0.0032362 k( 169) = ( 0.2028986 0.2028986 0.2028986), wk = 0.0032362 k( 170) = ( 0.2101449 0.2101449 0.2101449), wk = 0.0032362 k( 171) = ( 0.2173913 0.2173913 0.2173913), wk = 0.0032362 k( 172) = ( 0.2246377 0.2246377 0.2246377), wk = 0.0032362 k( 173) = ( 0.2318841 0.2318841 0.2318841), wk = 0.0032362 k( 174) = ( 0.2391304 0.2391304 0.2391304), wk = 0.0032362 k( 175) = ( 0.2463768 0.2463768 0.2463768), wk = 0.0032362 k( 176) = ( 0.2536232 0.2536232 0.2536232), wk = 0.0032362 k( 177) = ( 0.2608696 0.2608696 0.2608696), wk = 0.0032362 k( 178) = ( 0.2681159 0.2681159 0.2681159), wk = 0.0032362 k( 179) = ( 0.2753623 0.2753623 0.2753623), wk = 0.0032362 k( 180) = ( 0.2826087 0.2826087 0.2826087), wk = 0.0032362 k( 181) = ( 0.2898551 0.2898551 0.2898551), wk = 0.0032362 k( 182) = ( 0.2971014 0.2971014 0.2971014), wk = 0.0032362 k( 183) = ( 0.3043478 0.3043478 0.3043478), wk = 0.0032362 k( 184) = ( 0.3115942 0.3115942 0.3115942), wk = 0.0032362 k( 185) = ( 0.3188406 0.3188406 0.3188406), wk = 0.0032362 k( 186) = ( 0.3260870 0.3260870 0.3260870), wk = 0.0032362 k( 187) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0032362 k( 188) = ( 0.3405797 0.3405797 0.3405797), wk = 0.0032362 k( 189) = ( 0.3478261 0.3478261 0.3478261), wk = 0.0032362 k( 190) = ( 0.3550725 0.3550725 0.3550725), wk = 0.0032362 k( 191) = ( 0.3623188 0.3623188 0.3623188), wk = 0.0032362 k( 192) = ( 0.3695652 0.3695652 0.3695652), wk = 0.0032362 k( 193) = ( 0.3768116 0.3768116 0.3768116), wk = 0.0032362 k( 194) = ( 0.3840580 0.3840580 0.3840580), wk = 0.0032362 k( 195) = ( 0.3913044 0.3913044 0.3913044), wk = 0.0032362 k( 196) = ( 0.3985507 0.3985507 0.3985507), wk = 0.0032362 k( 197) = ( 0.4057971 0.4057971 0.4057971), wk = 0.0032362 k( 198) = ( 0.4130435 0.4130435 0.4130435), wk = 0.0032362 k( 199) = ( 0.4202899 0.4202899 0.4202899), wk = 0.0032362 k( 200) = ( 0.4275362 0.4275362 0.4275362), wk = 0.0032362 k( 201) = ( 0.4347826 0.4347826 0.4347826), wk = 0.0032362 k( 202) = ( 0.4420290 0.4420290 0.4420290), wk = 0.0032362 k( 203) = ( 0.4492754 0.4492754 0.4492754), wk = 0.0032362 k( 204) = ( 0.4565217 0.4565217 0.4565217), wk = 0.0032362 k( 205) = ( 0.4637681 0.4637681 0.4637681), wk = 0.0032362 k( 206) = ( 0.4710145 0.4710145 0.4710145), wk = 0.0032362 k( 207) = ( 0.4782609 0.4782609 0.4782609), wk = 0.0032362 k( 208) = ( 0.4855073 0.4855073 0.4855073), wk = 0.0032362 k( 209) = ( 0.4927536 0.4927536 0.4927536), wk = 0.0032362 k( 210) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032362 k( 211) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032362 k( 212) = ( 0.4912281 0.5000000 0.4912281), wk = 0.0032362 k( 213) = ( 0.4824561 0.5000000 0.4824561), wk = 0.0032362 k( 214) = ( 0.4736842 0.5000000 0.4736842), wk = 0.0032362 k( 215) = ( 0.4649123 0.5000000 0.4649123), wk = 0.0032362 k( 216) = ( 0.4561404 0.5000000 0.4561404), wk = 0.0032362 k( 217) = ( 0.4473684 0.5000000 0.4473684), wk = 0.0032362 k( 218) = ( 0.4385965 0.5000000 0.4385965), wk = 0.0032362 k( 219) = ( 0.4298246 0.5000000 0.4298246), wk = 0.0032362 k( 220) = ( 0.4210526 0.5000000 0.4210526), wk = 0.0032362 k( 221) = ( 0.4122807 0.5000000 0.4122807), wk = 0.0032362 k( 222) = ( 0.4035088 0.5000000 0.4035088), wk = 0.0032362 k( 223) = ( 0.3947368 0.5000000 0.3947368), wk = 0.0032362 k( 224) = ( 0.3859649 0.5000000 0.3859649), wk = 0.0032362 k( 225) = ( 0.3771930 0.5000000 0.3771930), wk = 0.0032362 k( 226) = ( 0.3684211 0.5000000 0.3684211), wk = 0.0032362 k( 227) = ( 0.3596491 0.5000000 0.3596491), wk = 0.0032362 k( 228) = ( 0.3508772 0.5000000 0.3508772), wk = 0.0032362 k( 229) = ( 0.3421053 0.5000000 0.3421053), wk = 0.0032362 k( 230) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0032362 k( 231) = ( 0.3245614 0.5000000 0.3245614), wk = 0.0032362 k( 232) = ( 0.3157895 0.5000000 0.3157895), wk = 0.0032362 k( 233) = ( 0.3070175 0.5000000 0.3070175), wk = 0.0032362 k( 234) = ( 0.2982456 0.5000000 0.2982456), wk = 0.0032362 k( 235) = ( 0.2894737 0.5000000 0.2894737), wk = 0.0032362 k( 236) = ( 0.2807018 0.5000000 0.2807018), wk = 0.0032362 k( 237) = ( 0.2719298 0.5000000 0.2719298), wk = 0.0032362 k( 238) = ( 0.2631579 0.5000000 0.2631579), wk = 0.0032362 k( 239) = ( 0.2543860 0.5000000 0.2543860), wk = 0.0032362 k( 240) = ( 0.2456140 0.5000000 0.2456140), wk = 0.0032362 k( 241) = ( 0.2368421 0.5000000 0.2368421), wk = 0.0032362 k( 242) = ( 0.2280702 0.5000000 0.2280702), wk = 0.0032362 k( 243) = ( 0.2192983 0.5000000 0.2192983), wk = 0.0032362 k( 244) = ( 0.2105263 0.5000000 0.2105263), wk = 0.0032362 k( 245) = ( 0.2017544 0.5000000 0.2017544), wk = 0.0032362 k( 246) = ( 0.1929825 0.5000000 0.1929825), wk = 0.0032362 k( 247) = ( 0.1842105 0.5000000 0.1842105), wk = 0.0032362 k( 248) = ( 0.1754386 0.5000000 0.1754386), wk = 0.0032362 k( 249) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0032362 k( 250) = ( 0.1578947 0.5000000 0.1578947), wk = 0.0032362 k( 251) = ( 0.1491228 0.5000000 0.1491228), wk = 0.0032362 k( 252) = ( 0.1403509 0.5000000 0.1403509), wk = 0.0032362 k( 253) = ( 0.1315790 0.5000000 0.1315790), wk = 0.0032362 k( 254) = ( 0.1228070 0.5000000 0.1228070), wk = 0.0032362 k( 255) = ( 0.1140351 0.5000000 0.1140351), wk = 0.0032362 k( 256) = ( 0.1052632 0.5000000 0.1052632), wk = 0.0032362 k( 257) = ( 0.0964912 0.5000000 0.0964912), wk = 0.0032362 k( 258) = ( 0.0877193 0.5000000 0.0877193), wk = 0.0032362 k( 259) = ( 0.0789474 0.5000000 0.0789474), wk = 0.0032362 k( 260) = ( 0.0701754 0.5000000 0.0701754), wk = 0.0032362 k( 261) = ( 0.0614035 0.5000000 0.0614035), wk = 0.0032362 k( 262) = ( 0.0526316 0.5000000 0.0526316), wk = 0.0032362 k( 263) = ( 0.0438597 0.5000000 0.0438597), wk = 0.0032362 k( 264) = ( 0.0350877 0.5000000 0.0350877), wk = 0.0032362 k( 265) = ( 0.0263158 0.5000000 0.0263158), wk = 0.0032362 k( 266) = ( 0.0175439 0.5000000 0.0175439), wk = 0.0032362 k( 267) = ( 0.0087719 0.5000000 0.0087719), wk = 0.0032362 k( 268) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032362 k( 269) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032362 k( 270) = ( 0.5000000 0.5000000 0.0125000), wk = 0.0032362 k( 271) = ( 0.5000000 0.5000000 0.0250000), wk = 0.0032362 k( 272) = ( 0.5000000 0.5000000 0.0375000), wk = 0.0032362 k( 273) = ( 0.5000000 0.5000000 0.0500000), wk = 0.0032362 k( 274) = ( 0.5000000 0.5000000 0.0625000), wk = 0.0032362 k( 275) = ( 0.5000000 0.5000000 0.0750000), wk = 0.0032362 k( 276) = ( 0.5000000 0.5000000 0.0875000), wk = 0.0032362 k( 277) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0032362 k( 278) = ( 0.5000000 0.5000000 0.1125000), wk = 0.0032362 k( 279) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0032362 k( 280) = ( 0.5000000 0.5000000 0.1375000), wk = 0.0032362 k( 281) = ( 0.5000000 0.5000000 0.1500000), wk = 0.0032362 k( 282) = ( 0.5000000 0.5000000 0.1625000), wk = 0.0032362 k( 283) = ( 0.5000000 0.5000000 0.1750000), wk = 0.0032362 k( 284) = ( 0.5000000 0.5000000 0.1875000), wk = 0.0032362 k( 285) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0032362 k( 286) = ( 0.5000000 0.5000000 0.2125000), wk = 0.0032362 k( 287) = ( 0.5000000 0.5000000 0.2250000), wk = 0.0032362 k( 288) = ( 0.5000000 0.5000000 0.2375000), wk = 0.0032362 k( 289) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0032362 k( 290) = ( 0.5000000 0.5000000 0.2625000), wk = 0.0032362 k( 291) = ( 0.5000000 0.5000000 0.2750000), wk = 0.0032362 k( 292) = ( 0.5000000 0.5000000 0.2875000), wk = 0.0032362 k( 293) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0032362 k( 294) = ( 0.5000000 0.5000000 0.3125000), wk = 0.0032362 k( 295) = ( 0.5000000 0.5000000 0.3250000), wk = 0.0032362 k( 296) = ( 0.5000000 0.5000000 0.3375000), wk = 0.0032362 k( 297) = ( 0.5000000 0.5000000 0.3500000), wk = 0.0032362 k( 298) = ( 0.5000000 0.5000000 0.3625000), wk = 0.0032362 k( 299) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0032362 k( 300) = ( 0.5000000 0.5000000 0.3875000), wk = 0.0032362 k( 301) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0032362 k( 302) = ( 0.5000000 0.5000000 0.4125000), wk = 0.0032362 k( 303) = ( 0.5000000 0.5000000 0.4250000), wk = 0.0032362 k( 304) = ( 0.5000000 0.5000000 0.4375000), wk = 0.0032362 k( 305) = ( 0.5000000 0.5000000 0.4500000), wk = 0.0032362 k( 306) = ( 0.5000000 0.5000000 0.4625000), wk = 0.0032362 k( 307) = ( 0.5000000 0.5000000 0.4750000), wk = 0.0032362 k( 308) = ( 0.5000000 0.5000000 0.4875000), wk = 0.0032362 k( 309) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032362 Dense grid: 59813 G-vectors FFT dimensions: ( 50, 50, 50) Smooth grid: 15895 G-vectors FFT dimensions: ( 32, 32, 32) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.05 Mb ( 120, 30) NL pseudopotentials 0.06 Mb ( 60, 68) Each V/rho on FFT grid 0.08 Mb ( 5000) Each G-vector array 0.01 Mb ( 1661) G-vector shells 0.00 Mb ( 383) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.22 Mb ( 120, 120) Each subspace H/S matrix 0.01 Mb ( 30, 30) Each matrix 0.06 Mb ( 68, 2, 30) The potential is recalculated from file : ./SrHg.save/charge-density.dat Starting wfc are 34 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.2 secs Computing kpt #: 2 total cpu time spent up to now is 2.3 secs Computing kpt #: 3 total cpu time spent up to now is 2.5 secs Computing kpt #: 4 total cpu time spent up to now is 2.6 secs Computing kpt #: 5 total cpu time spent up to now is 2.8 secs Computing kpt #: 6 total cpu time spent up to now is 2.9 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 3.4 secs Computing kpt #: 10 total cpu time spent up to now is 3.5 secs Computing kpt #: 11 total cpu time spent up to now is 3.7 secs Computing kpt #: 12 total cpu time spent up to now is 3.8 secs Computing kpt #: 13 total cpu time spent up to now is 3.9 secs Computing kpt #: 14 total cpu time spent up to now is 4.1 secs Computing kpt #: 15 total cpu time spent up to now is 4.2 secs Computing kpt #: 16 total cpu time spent up to now is 4.4 secs Computing kpt #: 17 total cpu time spent up to now is 4.5 secs Computing kpt #: 18 total cpu time spent up to now is 4.7 secs Computing kpt #: 19 total cpu time spent up to now is 4.8 secs Computing kpt #: 20 total cpu time spent up to now is 5.0 secs Computing kpt #: 21 total cpu time spent up to now is 5.1 secs Computing kpt #: 22 total cpu time spent up to now is 5.2 secs Computing kpt #: 23 total cpu time spent up to now is 5.4 secs Computing kpt #: 24 total cpu time spent up to now is 5.5 secs Computing kpt #: 25 total cpu time spent up to now is 5.6 secs Computing kpt #: 26 total cpu time spent up to now is 5.8 secs Computing kpt #: 27 total cpu time spent up to now is 5.9 secs Computing kpt #: 28 total cpu time spent up to now is 6.1 secs Computing kpt #: 29 total cpu time spent up to now is 6.3 secs Computing kpt #: 30 total cpu time spent up to now is 6.5 secs Computing kpt #: 31 total cpu time spent up to now is 6.6 secs Computing kpt #: 32 total cpu time spent up to now is 6.8 secs Computing kpt #: 33 total cpu time spent up to now is 7.0 secs Computing kpt #: 34 total cpu time spent up to now is 7.2 secs Computing kpt #: 35 total cpu time spent up to now is 7.5 secs Computing kpt #: 36 total cpu time spent up to now is 7.7 secs Computing kpt #: 37 total cpu time spent up to now is 7.9 secs Computing kpt #: 38 total cpu time spent up to now is 8.1 secs Computing kpt #: 39 total cpu time spent up to now is 8.4 secs Computing kpt #: 40 total cpu time spent up to now is 8.6 secs Computing kpt #: 41 total cpu time spent up to now is 8.8 secs Computing kpt #: 42 total cpu time spent up to now is 9.0 secs Computing kpt #: 43 total cpu time spent up to now is 9.2 secs Computing kpt #: 44 total cpu time spent up to now is 9.4 secs Computing kpt #: 45 total cpu time spent up to now is 9.6 secs Computing kpt #: 46 total cpu time spent up to now is 9.8 secs Computing kpt #: 47 total cpu time spent up to now is 10.0 secs Computing kpt #: 48 total cpu time spent up to now is 10.2 secs Computing kpt #: 49 total cpu time spent up to now is 10.5 secs Computing kpt #: 50 total cpu time spent up to now is 10.7 secs Computing kpt #: 51 total cpu time spent up to now is 10.9 secs Computing kpt #: 52 total cpu time spent up to now is 11.1 secs Computing kpt #: 53 total cpu time spent up to now is 11.3 secs Computing kpt #: 54 total cpu time spent up to now is 11.4 secs Computing kpt #: 55 total cpu time spent up to now is 11.6 secs Computing kpt #: 56 total cpu time spent up to now is 11.8 secs Computing kpt #: 57 total cpu time spent up to now is 12.0 secs Computing kpt #: 58 total cpu time spent up to now is 12.1 secs Computing kpt #: 59 total cpu time spent up to now is 12.3 secs Computing kpt #: 60 total cpu time spent up to now is 12.4 secs Computing kpt #: 61 total cpu time spent up to now is 12.6 secs Computing kpt #: 62 total cpu time spent up to now is 12.7 secs Computing kpt #: 63 total cpu time spent up to now is 12.8 secs Computing kpt #: 64 total cpu time spent up to now is 13.0 secs Computing kpt #: 65 total cpu time spent up to now is 13.1 secs Computing kpt #: 66 total cpu time spent up to now is 13.2 secs Computing kpt #: 67 total cpu time spent up to now is 13.4 secs Computing kpt #: 68 total cpu time spent up to now is 13.5 secs Computing kpt #: 69 total cpu time spent up to now is 13.6 secs Computing kpt #: 70 total cpu time spent up to now is 13.8 secs Computing kpt #: 71 total cpu time spent up to now is 13.9 secs Computing kpt #: 72 total cpu time spent up to now is 14.0 secs Computing kpt #: 73 total cpu time spent up to now is 14.2 secs Computing kpt #: 74 total cpu time spent up to now is 14.3 secs Computing kpt #: 75 total cpu time spent up to now is 14.4 secs Computing kpt #: 76 total cpu time spent up to now is 14.6 secs Computing kpt #: 77 total cpu time spent up to now is 14.8 secs Computing kpt #: 78 total cpu time spent up to now is 14.9 secs Computing kpt #: 79 total cpu time spent up to now is 15.1 secs Computing kpt #: 80 total cpu time spent up to now is 15.2 secs Computing kpt #: 81 total cpu time spent up to now is 15.3 secs Computing kpt #: 82 total cpu time spent up to now is 15.5 secs Computing kpt #: 83 total cpu time spent up to now is 15.6 secs Computing kpt #: 84 total cpu time spent up to now is 15.7 secs Computing kpt #: 85 total cpu time spent up to now is 15.9 secs Computing kpt #: 86 total cpu time spent up to now is 16.0 secs Computing kpt #: 87 total cpu time spent up to now is 16.1 secs Computing kpt #: 88 total cpu time spent up to now is 16.3 secs Computing kpt #: 89 total cpu time spent up to now is 16.4 secs Computing kpt #: 90 total cpu time spent up to now is 16.5 secs Computing kpt #: 91 total cpu time spent up to now is 16.7 secs Computing kpt #: 92 total cpu time spent up to now is 16.8 secs Computing kpt #: 93 total cpu time spent up to now is 16.9 secs Computing kpt #: 94 total cpu time spent up to now is 17.1 secs Computing kpt #: 95 total cpu time spent up to now is 17.2 secs Computing kpt #: 96 total cpu time spent up to now is 17.3 secs Computing kpt #: 97 total cpu time spent up to now is 17.5 secs Computing kpt #: 98 total cpu time spent up to now is 17.6 secs Computing kpt #: 99 total cpu time spent up to now is 17.8 secs Computing kpt #: 100 total cpu time spent up to now is 17.9 secs Computing kpt #: 101 total cpu time spent up to now is 18.0 secs Computing kpt #: 102 total cpu time spent up to now is 18.2 secs Computing kpt #: 103 total cpu time spent up to now is 18.3 secs Computing kpt #: 104 total cpu time spent up to now is 18.4 secs Computing kpt #: 105 total cpu time spent up to now is 18.6 secs Computing kpt #: 106 total cpu time spent up to now is 18.7 secs Computing kpt #: 107 total cpu time spent up to now is 18.9 secs Computing kpt #: 108 total cpu time spent up to now is 19.1 secs Computing kpt #: 109 total cpu time spent up to now is 19.2 secs Computing kpt #: 110 total cpu time spent up to now is 19.4 secs Computing kpt #: 111 total cpu time spent up to now is 19.6 secs Computing kpt #: 112 total cpu time spent up to now is 19.8 secs Computing kpt #: 113 total cpu time spent up to now is 20.0 secs Computing kpt #: 114 total cpu time spent up to now is 20.3 secs Computing kpt #: 115 total cpu time spent up to now is 20.5 secs Computing kpt #: 116 total cpu time spent up to now is 20.8 secs Computing kpt #: 117 total cpu time spent up to now is 21.1 secs Computing kpt #: 118 total cpu time spent up to now is 21.3 secs Computing kpt #: 119 total cpu time spent up to now is 21.5 secs Computing kpt #: 120 total cpu time spent up to now is 21.7 secs Computing kpt #: 121 total cpu time spent up to now is 21.9 secs Computing kpt #: 122 total cpu time spent up to now is 22.0 secs Computing kpt #: 123 total cpu time spent up to now is 22.2 secs Computing kpt #: 124 total cpu time spent up to now is 22.4 secs Computing kpt #: 125 total cpu time spent up to now is 22.5 secs Computing kpt #: 126 total cpu time spent up to now is 22.7 secs Computing kpt #: 127 total cpu time spent up to now is 22.9 secs Computing kpt #: 128 total cpu time spent up to now is 23.0 secs Computing kpt #: 129 total cpu time spent up to now is 23.2 secs Computing kpt #: 130 total cpu time spent up to now is 23.3 secs Computing kpt #: 131 total cpu time spent up to now is 23.5 secs Computing kpt #: 132 total cpu time spent up to now is 23.6 secs Computing kpt #: 133 total cpu time spent up to now is 23.8 secs Computing kpt #: 134 total cpu time spent up to now is 23.9 secs Computing kpt #: 135 total cpu time spent up to now is 24.1 secs Computing kpt #: 136 total cpu time spent up to now is 24.2 secs Computing kpt #: 137 total cpu time spent up to now is 24.4 secs Computing kpt #: 138 total cpu time spent up to now is 24.5 secs Computing kpt #: 139 total cpu time spent up to now is 24.7 secs Computing kpt #: 140 total cpu time spent up to now is 24.8 secs Computing kpt #: 141 total cpu time spent up to now is 24.9 secs Computing kpt #: 142 total cpu time spent up to now is 25.1 secs Computing kpt #: 143 total cpu time spent up to now is 25.2 secs Computing kpt #: 144 total cpu time spent up to now is 25.4 secs Computing kpt #: 145 total cpu time spent up to now is 25.6 secs Computing kpt #: 146 total cpu time spent up to now is 25.7 secs Computing kpt #: 147 total cpu time spent up to now is 25.9 secs Computing kpt #: 148 total cpu time spent up to now is 26.0 secs Computing kpt #: 149 total cpu time spent up to now is 26.2 secs Computing kpt #: 150 total cpu time spent up to now is 26.4 secs Computing kpt #: 151 total cpu time spent up to now is 26.5 secs Computing kpt #: 152 total cpu time spent up to now is 26.7 secs Computing kpt #: 153 total cpu time spent up to now is 26.8 secs Computing kpt #: 154 total cpu time spent up to now is 27.0 secs Computing kpt #: 155 total cpu time spent up to now is 27.1 secs Computing kpt #: 156 total cpu time spent up to now is 27.3 secs Computing kpt #: 157 total cpu time spent up to now is 27.4 secs Computing kpt #: 158 total cpu time spent up to now is 27.6 secs Computing kpt #: 159 total cpu time spent up to now is 27.7 secs Computing kpt #: 160 total cpu time spent up to now is 27.8 secs Computing kpt #: 161 total cpu time spent up to now is 28.0 secs Computing kpt #: 162 total cpu time spent up to now is 28.1 secs Computing kpt #: 163 total cpu time spent up to now is 28.2 secs Computing kpt #: 164 total cpu time spent up to now is 28.4 secs Computing kpt #: 165 total cpu time spent up to now is 28.5 secs Computing kpt #: 166 total cpu time spent up to now is 28.6 secs Computing kpt #: 167 total cpu time spent up to now is 28.8 secs Computing kpt #: 168 total cpu time spent up to now is 28.9 secs Computing kpt #: 169 total cpu time spent up to now is 29.0 secs Computing kpt #: 170 total cpu time spent up to now is 29.2 secs Computing kpt #: 171 total cpu time spent up to now is 29.3 secs Computing kpt #: 172 total cpu time spent up to now is 29.4 secs Computing kpt #: 173 total cpu time spent up to now is 29.6 secs Computing kpt #: 174 total cpu time spent up to now is 29.7 secs Computing kpt #: 175 total cpu time spent up to now is 29.8 secs Computing kpt #: 176 total cpu time spent up to now is 30.0 secs Computing kpt #: 177 total cpu time spent up to now is 30.1 secs Computing kpt #: 178 total cpu time spent up to now is 30.2 secs Computing kpt #: 179 total cpu time spent up to now is 30.4 secs Computing kpt #: 180 total cpu time spent up to now is 30.5 secs Computing kpt #: 181 total cpu time spent up to now is 30.7 secs Computing kpt #: 182 total cpu time spent up to now is 30.9 secs Computing kpt #: 183 total cpu time spent up to now is 31.1 secs Computing kpt #: 184 total cpu time spent up to now is 31.3 secs Computing kpt #: 185 total cpu time spent up to now is 31.5 secs Computing kpt #: 186 total cpu time spent up to now is 31.7 secs Computing kpt #: 187 total cpu time spent up to now is 31.9 secs Computing kpt #: 188 total cpu time spent up to now is 32.1 secs Computing kpt #: 189 total cpu time spent up to now is 32.3 secs Computing kpt #: 190 total cpu time spent up to now is 32.6 secs Computing kpt #: 191 total cpu time spent up to now is 32.9 secs Computing kpt #: 192 total cpu time spent up to now is 33.1 secs Computing kpt #: 193 total cpu time spent up to now is 33.3 secs Computing kpt #: 194 total cpu time spent up to now is 33.6 secs Computing kpt #: 195 total cpu time spent up to now is 33.7 secs Computing kpt #: 196 total cpu time spent up to now is 33.9 secs Computing kpt #: 197 total cpu time spent up to now is 34.2 secs Computing kpt #: 198 total cpu time spent up to now is 34.4 secs Computing kpt #: 199 total cpu time spent up to now is 34.5 secs Computing kpt #: 200 total cpu time spent up to now is 34.8 secs Computing kpt #: 201 total cpu time spent up to now is 35.0 secs Computing kpt #: 202 total cpu time spent up to now is 35.2 secs Computing kpt #: 203 total cpu time spent up to now is 35.4 secs Computing kpt #: 204 total cpu time spent up to now is 35.6 secs Computing kpt #: 205 total cpu time spent up to now is 35.8 secs Computing kpt #: 206 total cpu time spent up to now is 36.0 secs Computing kpt #: 207 total cpu time spent up to now is 36.2 secs Computing kpt #: 208 total cpu time spent up to now is 36.4 secs Computing kpt #: 209 total cpu time spent up to now is 36.6 secs Computing kpt #: 210 total cpu time spent up to now is 36.8 secs Computing kpt #: 211 total cpu time spent up to now is 37.0 secs Computing kpt #: 212 total cpu time spent up to now is 37.3 secs Computing kpt #: 213 total cpu time spent up to now is 37.5 secs Computing kpt #: 214 total cpu time spent up to now is 37.8 secs Computing kpt #: 215 total cpu time spent up to now is 38.0 secs Computing kpt #: 216 total cpu time spent up to now is 38.3 secs Computing kpt #: 217 total cpu time spent up to now is 38.5 secs Computing kpt #: 218 total cpu time spent up to now is 38.7 secs Computing kpt #: 219 total cpu time spent up to now is 38.8 secs Computing kpt #: 220 total cpu time spent up to now is 39.0 secs Computing kpt #: 221 total cpu time spent up to now is 39.2 secs Computing kpt #: 222 total cpu time spent up to now is 39.4 secs Computing kpt #: 223 total cpu time spent up to now is 39.6 secs Computing kpt #: 224 total cpu time spent up to now is 39.7 secs Computing kpt #: 225 total cpu time spent up to now is 39.9 secs Computing kpt #: 226 total cpu time spent up to now is 40.1 secs Computing kpt #: 227 total cpu time spent up to now is 40.2 secs Computing kpt #: 228 total cpu time spent up to now is 40.4 secs Computing kpt #: 229 total cpu time spent up to now is 40.5 secs Computing kpt #: 230 total cpu time spent up to now is 40.7 secs Computing kpt #: 231 total cpu time spent up to now is 40.9 secs Computing kpt #: 232 total cpu time spent up to now is 41.0 secs Computing kpt #: 233 total cpu time spent up to now is 41.2 secs Computing kpt #: 234 total cpu time spent up to now is 41.4 secs Computing kpt #: 235 total cpu time spent up to now is 41.5 secs Computing kpt #: 236 total cpu time spent up to now is 41.7 secs Computing kpt #: 237 total cpu time spent up to now is 41.9 secs Computing kpt #: 238 total cpu time spent up to now is 42.0 secs Computing kpt #: 239 total cpu time spent up to now is 42.2 secs Computing kpt #: 240 total cpu time spent up to now is 42.3 secs Computing kpt #: 241 total cpu time spent up to now is 42.4 secs Computing kpt #: 242 total cpu time spent up to now is 42.6 secs Computing kpt #: 243 total cpu time spent up to now is 42.7 secs Computing kpt #: 244 total cpu time spent up to now is 42.9 secs Computing kpt #: 245 total cpu time spent up to now is 43.0 secs Computing kpt #: 246 total cpu time spent up to now is 43.1 secs Computing kpt #: 247 total cpu time spent up to now is 43.3 secs Computing kpt #: 248 total cpu time spent up to now is 43.4 secs Computing kpt #: 249 total cpu time spent up to now is 43.5 secs Computing kpt #: 250 total cpu time spent up to now is 43.7 secs Computing kpt #: 251 total cpu time spent up to now is 43.8 secs Computing kpt #: 252 total cpu time spent up to now is 44.0 secs Computing kpt #: 253 total cpu time spent up to now is 44.1 secs Computing kpt #: 254 total cpu time spent up to now is 44.3 secs Computing kpt #: 255 total cpu time spent up to now is 44.4 secs Computing kpt #: 256 total cpu time spent up to now is 44.6 secs Computing kpt #: 257 total cpu time spent up to now is 44.8 secs Computing kpt #: 258 total cpu time spent up to now is 45.0 secs Computing kpt #: 259 total cpu time spent up to now is 45.2 secs Computing kpt #: 260 total cpu time spent up to now is 45.4 secs Computing kpt #: 261 total cpu time spent up to now is 45.6 secs Computing kpt #: 262 total cpu time spent up to now is 45.8 secs Computing kpt #: 263 total cpu time spent up to now is 46.0 secs Computing kpt #: 264 total cpu time spent up to now is 46.2 secs Computing kpt #: 265 total cpu time spent up to now is 46.4 secs Computing kpt #: 266 total cpu time spent up to now is 46.6 secs Computing kpt #: 267 total cpu time spent up to now is 46.9 secs Computing kpt #: 268 total cpu time spent up to now is 47.1 secs Computing kpt #: 269 total cpu time spent up to now is 47.2 secs Computing kpt #: 270 total cpu time spent up to now is 47.3 secs Computing kpt #: 271 total cpu time spent up to now is 47.5 secs Computing kpt #: 272 total cpu time spent up to now is 47.6 secs Computing kpt #: 273 total cpu time spent up to now is 47.8 secs Computing kpt #: 274 total cpu time spent up to now is 47.9 secs Computing kpt #: 275 total cpu time spent up to now is 48.0 secs Computing kpt #: 276 total cpu time spent up to now is 48.2 secs Computing kpt #: 277 total cpu time spent up to now is 48.5 secs Computing kpt #: 278 total cpu time spent up to now is 48.7 secs Computing kpt #: 279 total cpu time spent up to now is 49.0 secs Computing kpt #: 280 total cpu time spent up to now is 49.3 secs Computing kpt #: 281 total cpu time spent up to now is 49.5 secs Computing kpt #: 282 total cpu time spent up to now is 49.8 secs Computing kpt #: 283 total cpu time spent up to now is 50.0 secs Computing kpt #: 284 total cpu time spent up to now is 50.3 secs Computing kpt #: 285 total cpu time spent up to now is 50.6 secs Computing kpt #: 286 total cpu time spent up to now is 50.8 secs Computing kpt #: 287 total cpu time spent up to now is 51.1 secs Computing kpt #: 288 total cpu time spent up to now is 51.2 secs Computing kpt #: 289 total cpu time spent up to now is 51.3 secs Computing kpt #: 290 total cpu time spent up to now is 51.5 secs Computing kpt #: 291 total cpu time spent up to now is 51.8 secs Computing kpt #: 292 total cpu time spent up to now is 52.3 secs Computing kpt #: 293 total cpu time spent up to now is 52.6 secs Computing kpt #: 294 total cpu time spent up to now is 52.9 secs Computing kpt #: 295 total cpu time spent up to now is 53.2 secs Computing kpt #: 296 total cpu time spent up to now is 53.5 secs Computing kpt #: 297 total cpu time spent up to now is 53.7 secs Computing kpt #: 298 total cpu time spent up to now is 53.9 secs Computing kpt #: 299 total cpu time spent up to now is 54.2 secs Computing kpt #: 300 total cpu time spent up to now is 54.4 secs Computing kpt #: 301 total cpu time spent up to now is 54.6 secs Computing kpt #: 302 total cpu time spent up to now is 54.8 secs Computing kpt #: 303 total cpu time spent up to now is 55.1 secs Computing kpt #: 304 total cpu time spent up to now is 55.3 secs Computing kpt #: 305 total cpu time spent up to now is 55.5 secs Computing kpt #: 306 total cpu time spent up to now is 55.8 secs Computing kpt #: 307 total cpu time spent up to now is 56.0 secs Computing kpt #: 308 total cpu time spent up to now is 56.3 secs Computing kpt #: 309 total cpu time spent up to now is 56.4 secs ethr = 4.55E-08, avg # of iterations = 25.1 total cpu time spent up to now is 56.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1935 PWs) bands (ev): -26.4320 -26.4320 -9.1574 -9.1574 -8.0018 -8.0018 -8.0018 -8.0018 1.1941 1.1941 1.1941 1.1941 2.6086 2.6086 2.9309 2.9309 2.9309 2.9309 3.1582 3.1582 11.0051 11.0051 11.0051 11.0051 12.5322 12.5322 13.9242 13.9242 13.9242 13.9242 k = 0.0000 0.0125-0.0000 ( 1935 PWs) bands (ev): -26.4320 -26.4320 -9.1575 -9.1575 -8.0021 -8.0021 -8.0018 -8.0018 1.1941 1.1941 1.1943 1.1943 2.6105 2.6105 2.9310 2.9310 2.9312 2.9312 3.1581 3.1581 11.0020 11.0020 11.0052 11.0052 12.5289 12.5289 13.9090 13.9090 13.9116 13.9116 k = 0.0000 0.0250-0.0000 ( 1959 PWs) bands (ev): -26.4319 -26.4319 -9.1578 -9.1578 -8.0030 -8.0030 -8.0017 -8.0017 1.1942 1.1942 1.1948 1.1948 2.6161 2.6161 2.9312 2.9312 2.9319 2.9319 3.1579 3.1579 10.9926 10.9926 11.0054 11.0054 12.5192 12.5192 13.8659 13.8659 13.8761 13.8761 k = 0.0000 0.0375-0.0000 ( 1967 PWs) bands (ev): -26.4318 -26.4318 -9.1583 -9.1583 -8.0045 -8.0045 -8.0016 -8.0016 1.1944 1.1944 1.1957 1.1957 2.6255 2.6255 2.9315 2.9315 2.9331 2.9331 3.1576 3.1576 10.9763 10.9763 11.0059 11.0059 12.5039 12.5039 13.8009 13.8009 13.8224 13.8224 k = 0.0000 0.0500-0.0000 ( 1967 PWs) bands (ev): -26.4317 -26.4317 -9.1590 -9.1590 -8.0065 -8.0065 -8.0014 -8.0014 1.1947 1.1947 1.1969 1.1969 2.6385 2.6385 2.9320 2.9320 2.9348 2.9348 3.1572 3.1572 10.9524 10.9524 11.0066 11.0066 12.4842 12.4842 13.7210 13.7210 13.7559 13.7559 k = 0.0000 0.0625-0.0000 ( 1967 PWs) bands (ev): -26.4315 -26.4315 -9.1600 -9.1600 -8.0091 -8.0091 -8.0011 -8.0011 1.1950 1.1950 1.1984 1.1984 2.6551 2.6551 2.9326 2.9326 2.9370 2.9370 3.1567 3.1567 10.9198 10.9198 11.0074 11.0074 12.4615 12.4615 13.6326 13.6326 13.6810 13.6810 k = 0.0000 0.0750-0.0000 ( 1967 PWs) bands (ev): -26.4312 -26.4312 -9.1611 -9.1611 -8.0122 -8.0122 -8.0008 -8.0008 1.1953 1.1953 1.2003 1.2003 2.6753 2.6753 2.9334 2.9334 2.9399 2.9399 3.1560 3.1560 10.8774 10.8774 11.0085 11.0085 12.4375 12.4375 13.5408 13.5408 13.6007 13.6007 k = 0.0000 0.0875-0.0000 ( 1975 PWs) bands (ev): -26.4310 -26.4310 -9.1624 -9.1624 -8.0158 -8.0158 -8.0005 -8.0005 1.1958 1.1958 1.2024 1.2024 2.6989 2.6989 2.9342 2.9342 2.9434 2.9434 3.1553 3.1553 10.8242 10.8242 11.0097 11.0097 12.4136 12.4136 13.4498 13.4498 13.5173 13.5173 k = 0.0000 0.1000-0.0000 ( 1983 PWs) bands (ev): -26.4307 -26.4307 -9.1640 -9.1640 -8.0199 -8.0199 -8.0001 -8.0001 1.1963 1.1963 1.2048 1.2048 2.7258 2.7258 2.9352 2.9352 2.9479 2.9479 3.1545 3.1545 10.7593 10.7593 11.0110 11.0110 12.3909 12.3909 13.3629 13.3629 13.4321 13.4321 k = 0.0000 0.1125-0.0000 ( 1983 PWs) bands (ev): -26.4303 -26.4303 -9.1657 -9.1657 -8.0244 -8.0244 -7.9996 -7.9996 1.1969 1.1969 1.2075 1.2075 2.7555 2.7555 2.9363 2.9363 2.9534 2.9534 3.1535 3.1535 10.6822 10.6822 11.0125 11.0125 12.3697 12.3697 13.2828 13.2828 13.3462 13.3462 k = 0.0000 0.1250-0.0000 ( 1991 PWs) bands (ev): -26.4299 -26.4299 -9.1676 -9.1676 -8.0293 -8.0293 -7.9991 -7.9991 1.1975 1.1975 1.2103 1.2103 2.7876 2.7876 2.9375 2.9375 2.9606 2.9606 3.1525 3.1525 10.5930 10.5930 11.0142 11.0142 12.3498 12.3498 13.2125 13.2125 13.2604 13.2604 k = 0.0000 0.1375-0.0000 ( 1983 PWs) bands (ev): -26.4295 -26.4295 -9.1696 -9.1696 -8.0346 -8.0346 -7.9986 -7.9986 1.1981 1.1981 1.2134 1.2134 2.8210 2.8210 2.9388 2.9388 2.9703 2.9703 3.1515 3.1515 10.4920 10.4920 11.0161 11.0161 12.3298 12.3298 13.1544 13.1544 13.1753 13.1753 k = 0.0000 0.1500-0.0000 ( 1983 PWs) bands (ev): -26.4291 -26.4291 -9.1719 -9.1719 -8.0402 -8.0402 -7.9980 -7.9980 1.1988 1.1988 1.2166 1.2166 2.8540 2.8540 2.9401 2.9401 2.9845 2.9845 3.1504 3.1504 10.3801 10.3801 11.0180 11.0180 12.3079 12.3079 13.0911 13.0911 13.1110 13.1110 k = 0.0000 0.1625-0.0000 ( 1983 PWs) bands (ev): -26.4286 -26.4286 -9.1743 -9.1743 -8.0461 -8.0461 -7.9974 -7.9974 1.1996 1.1996 1.2200 1.2200 2.8836 2.8836 2.9415 2.9415 3.0057 3.0057 3.1492 3.1492 10.2584 10.2584 11.0201 11.0201 12.2823 12.2823 13.0084 13.0084 13.0845 13.0845 k = 0.0000 0.1750-0.0000 ( 1983 PWs) bands (ev): -26.4281 -26.4281 -9.1768 -9.1768 -8.0522 -8.0522 -7.9968 -7.9968 1.2004 1.2004 1.2235 1.2235 2.9070 2.9070 2.9430 2.9430 3.0369 3.0369 3.1480 3.1480 10.1281 10.1281 11.0223 11.0223 12.2514 12.2514 12.9272 12.9272 13.0761 13.0761 k = 0.0000 0.1875-0.0000 ( 1975 PWs) bands (ev): -26.4276 -26.4276 -9.1795 -9.1795 -8.0585 -8.0585 -7.9961 -7.9961 1.2012 1.2012 1.2270 1.2270 2.9240 2.9240 2.9445 2.9445 3.0781 3.0781 3.1467 3.1467 9.9906 9.9906 11.0247 11.0247 12.2147 12.2147 12.8480 12.8480 13.0860 13.0860 k = 0.0000 0.2000-0.0000 ( 1984 PWs) bands (ev): -26.4271 -26.4271 -9.1823 -9.1823 -8.0650 -8.0650 -7.9955 -7.9955 1.2020 1.2020 1.2306 1.2306 2.9364 2.9364 2.9461 2.9461 3.1275 3.1275 3.1455 3.1455 9.8470 9.8470 11.0271 11.0271 12.1727 12.1727 12.7708 12.7708 13.1131 13.1131 k = 0.0000 0.2125-0.0000 ( 1980 PWs) bands (ev): -26.4265 -26.4265 -9.1852 -9.1852 -8.0716 -8.0716 -7.9948 -7.9948 1.2029 1.2029 1.2342 1.2342 2.9460 2.9460 2.9477 2.9477 3.1442 3.1442 3.1831 3.1831 9.6985 9.6985 11.0296 11.0296 12.1265 12.1265 12.6958 12.6958 13.1560 13.1560 k = 0.0000 0.2250-0.0000 ( 1980 PWs) bands (ev): -26.4260 -26.4260 -9.1882 -9.1882 -8.0782 -8.0782 -7.9940 -7.9940 1.2038 1.2038 1.2379 1.2379 2.9493 2.9493 2.9541 2.9541 3.1430 3.1430 3.2435 3.2435 9.5463 9.5463 11.0321 11.0321 12.0774 12.0774 12.6232 12.6232 13.2127 13.2127 k = 0.0000 0.2375-0.0000 ( 1980 PWs) bands (ev): -26.4254 -26.4254 -9.1913 -9.1913 -8.0848 -8.0848 -7.9933 -7.9933 1.2047 1.2047 1.2415 1.2415 2.9509 2.9509 2.9612 2.9612 3.1417 3.1417 3.3081 3.3081 9.3912 9.3912 11.0347 11.0347 12.0266 12.0266 12.5531 12.5531 13.2816 13.2816 k = 0.0000 0.2500-0.0000 ( 1980 PWs) bands (ev): -26.4249 -26.4249 -9.1944 -9.1944 -8.0914 -8.0914 -7.9926 -7.9926 1.2055 1.2055 1.2450 1.2450 2.9525 2.9525 2.9677 2.9677 3.1405 3.1405 3.3762 3.3762 9.2342 9.2342 11.0374 11.0374 11.9752 11.9752 12.4856 12.4856 13.3611 13.3611 k = 0.0000 0.2625-0.0000 ( 1980 PWs) bands (ev): -26.4243 -26.4243 -9.1976 -9.1976 -8.0979 -8.0979 -7.9919 -7.9919 1.2064 1.2064 1.2485 1.2485 2.9540 2.9540 2.9738 2.9738 3.1394 3.1394 3.4477 3.4477 9.0760 9.0760 11.0400 11.0400 11.9240 11.9240 12.4208 12.4208 13.4501 13.4501 k = 0.0000 0.2750-0.0000 ( 1980 PWs) bands (ev): -26.4238 -26.4238 -9.2008 -9.2008 -8.1044 -8.1044 -7.9911 -7.9911 1.2073 1.2073 1.2519 1.2519 2.9556 2.9556 2.9797 2.9797 3.1382 3.1382 3.5221 3.5221 8.9174 8.9174 11.0427 11.0427 11.8736 11.8736 12.3588 12.3588 13.5474 13.5474 k = 0.0000 0.2875-0.0000 ( 1980 PWs) bands (ev): -26.4232 -26.4232 -9.2040 -9.2040 -8.1106 -8.1106 -7.9904 -7.9904 1.2082 1.2082 1.2552 1.2552 2.9571 2.9571 2.9852 2.9852 3.1371 3.1371 3.5992 3.5992 8.7589 8.7589 11.0453 11.0453 11.8246 11.8246 12.2997 12.2997 13.6523 13.6523 k = 0.0000 0.3000-0.0000 ( 1968 PWs) bands (ev): -26.4227 -26.4227 -9.2072 -9.2072 -8.1167 -8.1167 -7.9897 -7.9897 1.2090 1.2090 1.2584 1.2584 2.9585 2.9585 2.9906 2.9906 3.1361 3.1361 3.6787 3.6787 8.6013 8.6013 11.0480 11.0480 11.7773 11.7773 12.2436 12.2436 13.7639 13.7639 k = 0.0000 0.3125-0.0000 ( 1972 PWs) bands (ev): -26.4222 -26.4222 -9.2103 -9.2103 -8.1226 -8.1226 -7.9890 -7.9890 1.2099 1.2099 1.2614 1.2614 2.9599 2.9599 2.9958 2.9958 3.1351 3.1351 3.7605 3.7605 8.4451 8.4451 11.0505 11.0505 11.7320 11.7320 12.1906 12.1906 13.8818 13.8818 k = 0.0000 0.3250-0.0000 ( 1980 PWs) bands (ev): -26.4216 -26.4216 -9.2134 -9.2134 -8.1282 -8.1282 -7.9884 -7.9884 1.2107 1.2107 1.2643 1.2643 2.9612 2.9612 3.0008 3.0008 3.1342 3.1342 3.8441 3.8441 8.2908 8.2908 11.0530 11.0530 11.6889 11.6889 12.1407 12.1407 14.0052 14.0052 k = 0.0000 0.3375-0.0000 ( 1984 PWs) bands (ev): -26.4212 -26.4212 -9.2164 -9.2164 -8.1335 -8.1335 -7.9877 -7.9877 1.2114 1.2114 1.2670 1.2670 2.9625 2.9625 3.0055 3.0055 3.1334 3.1334 3.9293 3.9293 8.1391 8.1391 11.0555 11.0555 11.6483 11.6483 12.0939 12.0939 14.1335 14.1335 k = 0.0000 0.3500-0.0000 ( 1984 PWs) bands (ev): -26.4207 -26.4207 -9.2192 -9.2192 -8.1385 -8.1385 -7.9871 -7.9871 1.2122 1.2122 1.2695 1.2695 2.9636 2.9636 3.0100 3.0100 3.1326 3.1326 4.0155 4.0155 7.9906 7.9906 11.0578 11.0578 11.6103 11.6103 12.0504 12.0504 14.2663 14.2663 k = 0.0000 0.3625-0.0000 ( 1992 PWs) bands (ev): -26.4202 -26.4202 -9.2220 -9.2220 -8.1433 -8.1433 -7.9866 -7.9866 1.2128 1.2128 1.2719 1.2719 2.9647 2.9647 3.0142 3.0142 3.1319 3.1319 4.1023 4.1023 7.8459 7.8459 11.0600 11.0600 11.5749 11.5749 12.0102 12.0102 14.4029 14.4029 k = 0.0000 0.3750-0.0000 ( 1988 PWs) bands (ev): -26.4198 -26.4198 -9.2245 -9.2245 -8.1476 -8.1476 -7.9860 -7.9860 1.2135 1.2135 1.2741 1.2741 2.9657 2.9657 3.0181 3.0181 3.1313 3.1313 4.1891 4.1891 7.7059 7.7059 11.0621 11.0621 11.5423 11.5423 11.9733 11.9733 14.5424 14.5424 k = 0.0000 0.3875-0.0000 ( 1996 PWs) bands (ev): -26.4195 -26.4195 -9.2269 -9.2269 -8.1516 -8.1516 -7.9855 -7.9855 1.2141 1.2141 1.2761 1.2761 2.9666 2.9666 3.0218 3.0218 3.1307 3.1307 4.2750 4.2750 7.5714 7.5714 11.0640 11.0640 11.5127 11.5127 11.9398 11.9398 14.6841 14.6841 k = 0.0000 0.4000-0.0000 ( 1988 PWs) bands (ev): -26.4191 -26.4191 -9.2292 -9.2292 -8.1552 -8.1552 -7.9851 -7.9851 1.2146 1.2146 1.2779 1.2779 2.9674 2.9674 3.0251 3.0251 3.1302 3.1302 4.3593 4.3593 7.4435 7.4435 11.0658 11.0658 11.4859 11.4859 11.9098 11.9098 14.7054 14.7054 k = 0.0000 0.4125-0.0000 ( 1988 PWs) bands (ev): -26.4188 -26.4188 -9.2311 -9.2311 -8.1585 -8.1585 -7.9847 -7.9847 1.2151 1.2151 1.2795 1.2795 2.9682 2.9682 3.0281 3.0281 3.1298 3.1298 4.4406 4.4406 7.3234 7.3234 11.0673 11.0673 11.4622 11.4622 11.8832 11.8832 14.7028 14.7028 k = 0.0000 0.4250-0.0000 ( 1988 PWs) bands (ev): -26.4185 -26.4185 -9.2329 -9.2329 -8.1613 -8.1613 -7.9843 -7.9843 1.2155 1.2155 1.2808 1.2808 2.9688 2.9688 3.0307 3.0307 3.1294 3.1294 4.5176 4.5176 7.2127 7.2127 11.0687 11.0687 11.4416 11.4416 11.8601 11.8601 14.7006 14.7006 k = 0.0000 0.4375-0.0000 ( 1996 PWs) bands (ev): -26.4183 -26.4183 -9.2344 -9.2344 -8.1637 -8.1637 -7.9840 -7.9840 1.2159 1.2159 1.2820 1.2820 2.9693 2.9693 3.0329 3.0329 3.1291 3.1291 4.5886 4.5886 7.1132 7.1132 11.0700 11.0700 11.4241 11.4241 11.8405 11.8405 14.6986 14.6986 k = 0.0000 0.4500-0.0000 ( 1992 PWs) bands (ev): -26.4181 -26.4181 -9.2357 -9.2357 -8.1657 -8.1657 -7.9838 -7.9838 1.2162 1.2162 1.2830 1.2830 2.9697 2.9697 3.0348 3.0348 3.1289 3.1289 4.6514 4.6514 7.0269 7.0269 11.0710 11.0710 11.4097 11.4097 11.8244 11.8244 14.6970 14.6970 k = 0.0000 0.4625-0.0000 ( 1992 PWs) bands (ev): -26.4179 -26.4179 -9.2367 -9.2367 -8.1672 -8.1672 -7.9836 -7.9836 1.2164 1.2164 1.2837 1.2837 2.9701 2.9701 3.0363 3.0363 3.1287 3.1287 4.7038 4.7038 6.9561 6.9561 11.0717 11.0717 11.3985 11.3985 11.8119 11.8119 14.6958 14.6958 k = 0.0000 0.4750-0.0000 ( 1984 PWs) bands (ev): -26.4178 -26.4178 -9.2374 -9.2374 -8.1683 -8.1683 -7.9834 -7.9834 1.2166 1.2166 1.2843 1.2843 2.9703 2.9703 3.0373 3.0373 3.1286 3.1286 4.7435 4.7435 6.9033 6.9033 11.0723 11.0723 11.3904 11.3904 11.8029 11.8029 14.6949 14.6949 k = 0.0000 0.4875-0.0000 ( 1984 PWs) bands (ev): -26.4178 -26.4178 -9.2378 -9.2378 -8.1690 -8.1690 -7.9833 -7.9833 1.2167 1.2167 1.2846 1.2846 2.9704 2.9704 3.0379 3.0379 3.1285 3.1285 4.7683 4.7683 6.8706 6.8706 11.0726 11.0726 11.3856 11.3856 11.7976 11.7976 14.6944 14.6944 k = 0.0000 0.5000-0.0000 ( 1984 PWs) bands (ev): -26.4177 -26.4177 -9.2380 -9.2380 -8.1692 -8.1692 -7.9833 -7.9833 1.2167 1.2167 1.2847 1.2847 2.9705 2.9705 3.0382 3.0382 3.1285 3.1285 4.7768 4.7768 6.8595 6.8595 11.0728 11.0728 11.3840 11.3840 11.7958 11.7958 14.6942 14.6942 k = 0.0000 0.5000-0.0000 ( 1984 PWs) bands (ev): -26.4177 -26.4177 -9.2380 -9.2380 -8.1692 -8.1692 -7.9833 -7.9833 1.2167 1.2167 1.2847 1.2847 2.9705 2.9705 3.0382 3.0382 3.1285 3.1285 4.7768 4.7768 6.8595 6.8595 11.0728 11.0728 11.3840 11.3840 11.7958 11.7958 14.6942 14.6942 k = 0.0125 0.5000-0.0000 ( 1984 PWs) bands (ev): -26.4177 -26.4177 -9.2380 -9.2380 -8.1692 -8.1692 -7.9835 -7.9835 1.2168 1.2168 1.2846 1.2846 2.9705 2.9705 3.0383 3.0383 3.1281 3.1281 4.7771 4.7771 6.8621 6.8621 11.0744 11.0744 11.3832 11.3832 11.7949 11.7949 14.6917 14.6917 k = 0.0250 0.5000-0.0000 ( 1984 PWs) bands (ev): -26.4177 -26.4177 -9.2382 -9.2382 -8.1693 -8.1693 -7.9840 -7.9840 1.2168 1.2168 1.2844 1.2844 2.9705 2.9705 3.0385 3.0385 3.1271 3.1271 4.7779 4.7779 6.8699 6.8699 11.0793 11.0793 11.3806 11.3806 11.7925 11.7925 14.6844 14.6844 k = 0.0375 0.5000-0.0000 ( 1990 PWs) bands (ev): -26.4176 -26.4176 -9.2384 -9.2384 -8.1695 -8.1695 -7.9848 -7.9848 1.2169 1.2169 1.2840 1.2840 2.9705 2.9705 3.0390 3.0390 3.1255 3.1255 4.7792 4.7792 6.8828 6.8828 11.0874 11.0874 11.3756 11.3756 11.7894 11.7894 14.6724 14.6724 k = 0.0500 0.5000-0.0000 ( 1990 PWs) bands (ev): -26.4174 -26.4174 -9.2387 -9.2387 -8.1696 -8.1696 -7.9860 -7.9860 1.2170 1.2170 1.2835 1.2835 2.9704 2.9704 3.0397 3.0397 3.1233 3.1233 4.7811 4.7811 6.9008 6.9008 11.0986 11.0986 11.3672 11.3672 11.7866 11.7866 14.6558 14.6558 k = 0.0625 0.5000-0.0000 ( 1994 PWs) bands (ev): -26.4172 -26.4172 -9.2391 -9.2391 -8.1699 -8.1699 -7.9875 -7.9875 1.2171 1.2171 1.2829 1.2829 2.9702 2.9702 3.0407 3.0407 3.1205 3.1205 4.7836 4.7836 6.9238 6.9238 11.1129 11.1129 11.3541 11.3541 11.7857 11.7857 14.6350 14.6350 k = 0.0750 0.5000-0.0000 ( 1994 PWs) bands (ev): -26.4170 -26.4170 -9.2396 -9.2396 -8.1703 -8.1703 -7.9892 -7.9892 1.2172 1.2172 1.2821 1.2821 2.9700 2.9700 3.0418 3.0418 3.1173 3.1173 4.7867 4.7867 6.9518 6.9518 11.1300 11.1300 11.3351 11.3351 11.7880 11.7880 14.6102 14.6102 k = 0.0875 0.5000-0.0000 ( 1994 PWs) bands (ev): -26.4168 -26.4168 -9.2402 -9.2402 -8.1707 -8.1707 -7.9912 -7.9912 1.2173 1.2173 1.2811 1.2811 2.9695 2.9695 3.0431 3.0431 3.1137 3.1137 4.7905 4.7905 6.9846 6.9846 11.1498 11.1498 11.3092 11.3092 11.7950 11.7951 14.5817 14.5817 k = 0.1000 0.5000-0.0000 ( 1986 PWs) bands (ev): -26.4165 -26.4165 -9.2408 -9.2408 -8.1712 -8.1712 -7.9934 -7.9934 1.2173 1.2173 1.2801 1.2801 2.9689 2.9689 3.0444 3.0444 3.1099 3.1099 4.7949 4.7949 7.0223 7.0223 11.1720 11.1720 11.2758 11.2758 11.8076 11.8076 14.5501 14.5501 k = 0.1125 0.5000-0.0000 ( 1994 PWs) bands (ev): -26.4161 -26.4161 -9.2416 -9.2416 -8.1719 -8.1719 -7.9958 -7.9958 1.2174 1.2174 1.2790 1.2790 2.9681 2.9681 3.0458 3.0458 3.1062 3.1062 4.8001 4.8001 7.0645 7.0645 11.1953 11.1953 11.2360 11.2360 11.8261 11.8261 14.5156 14.5156 k = 0.1250 0.5000-0.0000 ( 1990 PWs) bands (ev): -26.4158 -26.4158 -9.2425 -9.2425 -8.1726 -8.1726 -7.9983 -7.9983 1.2173 1.2173 1.2777 1.2777 2.9671 2.9671 3.0468 3.0468 3.1027 3.1027 4.8060 4.8060 7.1113 7.1113 11.1833 11.1833 11.2262 11.2262 11.8504 11.8504 14.4787 14.4787 k = 0.1375 0.5000-0.0000 ( 1990 PWs) bands (ev): -26.4154 -26.4154 -9.2434 -9.2434 -8.1735 -8.1735 -8.0010 -8.0010 1.2172 1.2172 1.2764 1.2764 2.9658 2.9658 3.0472 3.0472 3.1000 3.1000 4.8128 4.8128 7.1624 7.1624 11.1296 11.1296 11.2532 11.2532 11.8804 11.8804 14.4398 14.4398 k = 0.1500 0.5000-0.0000 ( 1988 PWs) bands (ev): -26.4150 -26.4150 -9.2444 -9.2444 -8.1745 -8.1745 -8.0036 -8.0036 1.2170 1.2170 1.2749 1.2749 2.9642 2.9642 3.0465 3.0465 3.0984 3.0984 4.8204 4.8204 7.2178 7.2178 11.0689 11.0689 11.2825 11.2825 11.9157 11.9157 14.3993 14.3993 k = 0.1625 0.5000-0.0000 ( 1984 PWs) bands (ev): -26.4146 -26.4146 -9.2455 -9.2455 -8.1757 -8.1757 -8.0064 -8.0064 1.2166 1.2166 1.2734 1.2734 2.9624 2.9624 3.0445 3.0445 3.0984 3.0984 4.8289 4.8289 7.2772 7.2772 11.0030 11.0030 11.3128 11.3128 11.9558 11.9558 14.3575 14.3575 k = 0.1750 0.5000-0.0000 ( 1984 PWs) bands (ev): -26.4141 -26.4141 -9.2467 -9.2467 -8.1771 -8.1771 -8.0091 -8.0091 1.2162 1.2162 1.2718 1.2718 2.9604 2.9604 3.0409 3.0409 3.1000 3.1000 4.8384 4.8384 7.3404 7.3404 10.9326 10.9326 11.3434 11.3434 12.0005 12.0005 14.3149 14.3149 k = 0.1875 0.5000-0.0000 ( 1988 PWs) bands (ev): -26.4136 -26.4136 -9.2480 -9.2480 -8.1787 -8.1787 -8.0117 -8.0117 1.2157 1.2157 1.2702 1.2702 2.9582 2.9582 3.0361 3.0361 3.1032 3.1032 4.8488 4.8488 7.4074 7.4074 10.8586 10.8586 11.3739 11.3739 12.0493 12.0493 14.2717 14.2717 k = 0.2000 0.5000-0.0000 ( 1984 PWs) bands (ev): -26.4131 -26.4131 -9.2493 -9.2493 -8.1804 -8.1804 -8.0143 -8.0143 1.2150 1.2150 1.2685 1.2685 2.9557 2.9557 3.0302 3.0302 3.1076 3.1076 4.8603 4.8603 7.4778 7.4778 10.7815 10.7815 11.4034 11.4034 12.1020 12.1020 14.2284 14.2284 k = 0.2125 0.5000-0.0000 ( 1984 PWs) bands (ev): -26.4126 -26.4126 -9.2507 -9.2507 -8.1823 -8.1823 -8.0167 -8.0167 1.2142 1.2142 1.2668 1.2668 2.9531 2.9531 3.0236 3.0236 3.1129 3.1129 4.8727 4.8727 7.5515 7.5515 10.7020 10.7020 11.4315 11.4315 12.1583 12.1583 14.1850 14.1850 k = 0.2250 0.5000-0.0000 ( 1986 PWs) bands (ev): -26.4121 -26.4121 -9.2521 -9.2521 -8.1843 -8.1843 -8.0190 -8.0190 1.2132 1.2132 1.2651 1.2651 2.9503 2.9503 3.0166 3.0166 3.1189 3.1189 4.8862 4.8862 7.6283 7.6283 10.6207 10.6207 11.4572 11.4572 12.2180 12.2180 14.1421 14.1421 k = 0.2375 0.5000-0.0000 ( 1990 PWs) bands (ev): -26.4116 -26.4116 -9.2537 -9.2537 -8.1866 -8.1866 -8.0211 -8.0211 1.2122 1.2122 1.2633 1.2633 2.9474 2.9474 3.0092 3.0092 3.1254 3.1254 4.9007 4.9007 7.7080 7.7080 10.5381 10.5381 11.4800 11.4800 12.2809 12.2809 14.0997 14.0997 k = 0.2500 0.5000-0.0000 ( 1998 PWs) bands (ev): -26.4111 -26.4111 -9.2552 -9.2552 -8.1890 -8.1890 -8.0231 -8.0231 1.2110 1.2110 1.2615 1.2615 2.9444 2.9444 3.0016 3.0016 3.1322 3.1322 4.9162 4.9162 7.7902 7.7902 10.4548 10.4548 11.4990 11.4990 12.3466 12.3466 14.0582 14.0582 k = 0.2625 0.5000-0.0000 ( 1998 PWs) bands (ev): -26.4106 -26.4106 -9.2568 -9.2568 -8.1915 -8.1915 -8.0248 -8.0248 1.2098 1.2098 1.2597 1.2597 2.9413 2.9413 2.9940 2.9940 3.1393 3.1393 4.9327 4.9327 7.8747 7.8747 10.3713 10.3713 11.5133 11.5133 12.4151 12.4151 14.0176 14.0176 k = 0.2750 0.5000-0.0000 ( 1998 PWs) bands (ev): -26.4100 -26.4100 -9.2584 -9.2584 -8.1941 -8.1941 -8.0264 -8.0264 1.2084 1.2084 1.2579 1.2579 2.9382 2.9382 2.9863 2.9863 3.1465 3.1465 4.9501 4.9501 7.9612 7.9612 10.2882 10.2882 11.5223 11.5223 12.4860 12.4860 13.9783 13.9783 k = 0.2875 0.5000-0.0000 ( 2002 PWs) bands (ev): -26.4095 -26.4095 -9.2600 -9.2600 -8.1968 -8.1968 -8.0277 -8.0277 1.2070 1.2070 1.2561 1.2561 2.9351 2.9351 2.9788 2.9788 3.1538 3.1538 4.9682 4.9682 8.0495 8.0495 10.2061 10.2061 11.5254 11.5254 12.5590 12.5590 13.9404 13.9404 k = 0.3000 0.5000-0.0000 ( 1998 PWs) bands (ev): -26.4090 -26.4090 -9.2617 -9.2617 -8.1996 -8.1996 -8.0289 -8.0289 1.2056 1.2056 1.2543 1.2543 2.9320 2.9320 2.9714 2.9714 3.1610 3.1610 4.9871 4.9871 8.1390 8.1390 10.1254 10.1254 11.5218 11.5218 12.6339 12.6339 13.9040 13.9040 k = 0.3125 0.5000-0.0000 ( 1992 PWs) bands (ev): -26.4085 -26.4085 -9.2633 -9.2633 -8.2024 -8.2024 -8.0299 -8.0299 1.2041 1.2041 1.2526 1.2526 2.9289 2.9289 2.9642 2.9642 3.1680 3.1680 5.0066 5.0066 8.2295 8.2295 10.0468 10.0468 11.5113 11.5113 12.7105 12.7105 13.8692 13.8692 k = 0.3250 0.5000-0.0000 ( 1996 PWs) bands (ev): -26.4080 -26.4080 -9.2649 -9.2649 -8.2051 -8.2051 -8.0308 -8.0308 1.2026 1.2026 1.2509 1.2509 2.9258 2.9258 2.9573 2.9573 3.1749 3.1749 5.0265 5.0265 8.3204 8.3204 9.9708 9.9708 11.4937 11.4937 12.7882 12.7882 13.8363 13.8363 k = 0.3375 0.5000-0.0000 ( 1996 PWs) bands (ev): -26.4076 -26.4076 -9.2665 -9.2665 -8.2079 -8.2079 -8.0315 -8.0315 1.2011 1.2011 1.2492 1.2492 2.9229 2.9229 2.9507 2.9507 3.1815 3.1815 5.0467 5.0467 8.4112 8.4112 9.8982 9.8982 11.4688 11.4688 12.8667 12.8667 13.8052 13.8052 k = 0.3500 0.5000-0.0000 ( 1998 PWs) bands (ev): -26.4072 -26.4072 -9.2680 -9.2680 -8.2105 -8.2105 -8.0320 -8.0320 1.1996 1.1996 1.2476 1.2476 2.9201 2.9201 2.9444 2.9444 3.1878 3.1878 5.0668 5.0668 8.5012 8.5012 9.8296 9.8296 11.4371 11.4371 12.9456 12.9456 13.7761 13.7761 k = 0.3625 0.5000-0.0000 ( 2002 PWs) bands (ev): -26.4067 -26.4067 -9.2694 -9.2694 -8.2131 -8.2131 -8.0325 -8.0325 1.1982 1.1982 1.2460 1.2460 2.9174 2.9174 2.9385 2.9385 3.1938 3.1938 5.0868 5.0868 8.5895 8.5895 9.7658 9.7658 11.3990 11.3990 13.0243 13.0243 13.7491 13.7491 k = 0.3750 0.5000-0.0000 ( 1992 PWs) bands (ev): -26.4064 -26.4064 -9.2708 -9.2708 -8.2156 -8.2156 -8.0328 -8.0328 1.1968 1.1968 1.2446 1.2446 2.9148 2.9148 2.9331 2.9331 3.1993 3.1993 5.1064 5.1064 8.6750 8.6750 9.7078 9.7078 11.3553 11.3553 13.1022 13.1022 13.7243 13.7243 k = 0.3875 0.5000-0.0000 ( 1996 PWs) bands (ev): -26.4060 -26.4060 -9.2721 -9.2721 -8.2178 -8.2178 -8.0331 -8.0331 1.1955 1.1955 1.2432 1.2432 2.9124 2.9124 2.9280 2.9280 3.2044 3.2044 5.1253 5.1253 8.7565 8.7565 9.6565 9.6565 11.3070 11.3070 13.1785 13.1785 13.7017 13.7017 k = 0.4000 0.5000-0.0000 ( 1994 PWs) bands (ev): -26.4057 -26.4057 -9.2733 -9.2733 -8.2200 -8.2200 -8.0332 -8.0332 1.1943 1.1943 1.2420 1.2420 2.9102 2.9102 2.9234 2.9234 3.2090 3.2090 5.1431 5.1431 8.8322 8.8322 9.6133 9.6133 11.2554 11.2554 13.2523 13.2523 13.6813 13.6813 k = 0.4125 0.5000-0.0000 ( 1994 PWs) bands (ev): -26.4054 -26.4054 -9.2744 -9.2744 -8.2219 -8.2219 -8.0334 -8.0334 1.1933 1.1933 1.2408 1.2408 2.9082 2.9082 2.9193 2.9193 3.2132 3.2132 5.1598 5.1598 8.9001 8.9001 9.5795 9.5795 11.2019 11.2019 13.3225 13.3225 13.6634 13.6634 k = 0.4250 0.5000-0.0000 ( 1994 PWs) bands (ev): -26.4051 -26.4051 -9.2754 -9.2754 -8.2236 -8.2236 -8.0335 -8.0335 1.1923 1.1923 1.2398 1.2398 2.9065 2.9065 2.9158 2.9158 3.2168 3.2168 5.1749 5.1749 8.9579 8.9579 9.5564 9.5564 11.1484 11.1484 13.3879 13.3879 13.6479 13.6479 k = 0.4375 0.5000-0.0000 ( 1994 PWs) bands (ev): -26.4049 -26.4049 -9.2762 -9.2762 -8.2250 -8.2250 -8.0335 -8.0335 1.1915 1.1915 1.2389 1.2389 2.9049 2.9049 2.9127 2.9127 3.2199 3.2199 5.1882 5.1882 9.0038 9.0038 9.5446 9.5446 11.0968 11.0968 13.4470 13.4470 13.6351 13.6351 k = 0.4500 0.5000-0.0000 ( 1986 PWs) bands (ev): -26.4047 -26.4047 -9.2769 -9.2769 -8.2262 -8.2262 -8.0335 -8.0335 1.1908 1.1908 1.2382 1.2382 2.9036 2.9036 2.9103 2.9103 3.2225 3.2225 5.1995 5.1995 9.0371 9.0371 9.5433 9.5433 11.0495 11.0495 13.4980 13.4980 13.6252 13.6252 k = 0.4625 0.5000-0.0000 ( 1990 PWs) bands (ev): -26.4046 -26.4046 -9.2774 -9.2774 -8.2272 -8.2272 -8.0335 -8.0335 1.1902 1.1902 1.2376 1.2376 2.9026 2.9026 2.9083 2.9083 3.2245 3.2245 5.2085 5.2085 9.0587 9.0587 9.5497 9.5497 11.0089 11.0089 13.5385 13.5385 13.6189 13.6189 k = 0.4750 0.5000-0.0000 ( 1996 PWs) bands (ev): -26.4045 -26.4045 -9.2778 -9.2778 -8.2279 -8.2279 -8.0336 -8.0336 1.1898 1.1898 1.2372 1.2372 2.9019 2.9019 2.9070 2.9070 3.2259 3.2259 5.2150 5.2150 9.0713 9.0713 9.5591 9.5591 10.9775 10.9775 13.5657 13.5657 13.6174 13.6174 k = 0.4875 0.5000-0.0000 ( 2000 PWs) bands (ev): -26.4044 -26.4044 -9.2781 -9.2781 -8.2283 -8.2283 -8.0336 -8.0336 1.1896 1.1896 1.2370 1.2370 2.9014 2.9014 2.9061 2.9061 3.2267 3.2267 5.2190 5.2190 9.0775 9.0775 9.5670 9.5670 10.9576 10.9576 13.5785 13.5785 13.6207 13.6207 k = 0.5000 0.5000-0.0000 ( 2000 PWs) bands (ev): -26.4044 -26.4044 -9.2782 -9.2782 -8.2284 -8.2284 -8.0336 -8.0336 1.1895 1.1895 1.2369 1.2369 2.9012 2.9012 2.9059 2.9059 3.2270 3.2270 5.2204 5.2204 9.0794 9.0794 9.5700 9.5700 10.9508 10.9508 13.5816 13.5816 13.6231 13.6231 k = 0.5000 0.5000-0.0000 ( 2000 PWs) bands (ev): -26.4044 -26.4044 -9.2782 -9.2782 -8.2284 -8.2284 -8.0336 -8.0336 1.1895 1.1895 1.2369 1.2369 2.9012 2.9012 2.9059 2.9059 3.2270 3.2270 5.2204 5.2204 9.0794 9.0794 9.5700 9.5700 10.9508 10.9508 13.5816 13.5816 13.6231 13.6231 k = 0.4912 0.4912-0.0000 ( 2000 PWs) bands (ev): -26.4044 -26.4044 -9.2781 -9.2781 -8.2283 -8.2283 -8.0336 -8.0336 1.1896 1.1896 1.2370 1.2370 2.9014 2.9014 2.9061 2.9061 3.2267 3.2267 5.2190 5.2190 9.0776 9.0776 9.5670 9.5670 10.9576 10.9576 13.5787 13.5787 13.6206 13.6206 k = 0.4825 0.4825-0.0000 ( 1999 PWs) bands (ev): -26.4045 -26.4045 -9.2778 -9.2778 -8.2279 -8.2279 -8.0336 -8.0336 1.1898 1.1898 1.2372 1.2372 2.9019 2.9019 2.9069 2.9069 3.2259 3.2259 5.2151 5.2151 9.0722 9.0722 9.5584 9.5584 10.9773 10.9773 13.5674 13.5674 13.6161 13.6161 k = 0.4737 0.4737-0.0000 ( 1985 PWs) bands (ev): -26.4046 -26.4046 -9.2774 -9.2774 -8.2272 -8.2272 -8.0336 -8.0336 1.1902 1.1902 1.2376 1.2376 2.9026 2.9026 2.9083 2.9083 3.2245 3.2245 5.2084 5.2084 9.0629 9.0629 9.5459 9.5459 11.0087 11.0087 13.5437 13.5437 13.6143 13.6143 k = 0.4649 0.4649-0.0000 ( 1983 PWs) bands (ev): -26.4047 -26.4047 -9.2769 -9.2769 -8.2262 -8.2262 -8.0335 -8.0335 1.1907 1.1907 1.2382 1.2382 2.9037 2.9037 2.9101 2.9101 3.2225 3.2225 5.1989 5.1989 9.0494 9.0494 9.5317 9.5317 11.0498 11.0498 13.5082 13.5082 13.6161 13.6161 k = 0.4561 0.4561-0.0000 ( 1987 PWs) bands (ev): -26.4049 -26.4049 -9.2762 -9.2762 -8.2250 -8.2250 -8.0335 -8.0335 1.1914 1.1914 1.2389 1.2389 2.9050 2.9050 2.9125 2.9125 3.2201 3.2201 5.1865 5.1865 9.0313 9.0313 9.5181 9.5181 11.0986 11.0986 13.4635 13.4635 13.6204 13.6204 k = 0.4474 0.4474-0.0000 ( 1987 PWs) bands (ev): -26.4051 -26.4051 -9.2753 -9.2753 -8.2235 -8.2235 -8.0335 -8.0335 1.1922 1.1922 1.2397 1.2397 2.9066 2.9066 2.9153 2.9153 3.2171 3.2171 5.1711 5.1711 9.0090 9.0090 9.5070 9.5070 11.1529 11.1529 13.4118 13.4118 13.6265 13.6265 k = 0.4386 0.4386-0.0000 ( 1987 PWs) bands (ev): -26.4054 -26.4054 -9.2743 -9.2743 -8.2218 -8.2218 -8.0335 -8.0335 1.1932 1.1932 1.2407 1.2407 2.9084 2.9084 2.9186 2.9186 3.2136 3.2136 5.1525 5.1525 8.9828 8.9828 9.4999 9.4999 11.2106 11.2106 13.3549 13.3549 13.6341 13.6341 k = 0.4298 0.4298-0.0000 ( 1985 PWs) bands (ev): -26.4057 -26.4057 -9.2731 -9.2731 -8.2197 -8.2197 -8.0335 -8.0335 1.1942 1.1942 1.2417 1.2417 2.9104 2.9104 2.9224 2.9224 3.2096 3.2096 5.1307 5.1307 8.9539 8.9539 9.4974 9.4974 11.2700 11.2700 13.2944 13.2944 13.6432 13.6432 k = 0.4211 0.4211-0.0000 ( 1983 PWs) bands (ev): -26.4060 -26.4060 -9.2718 -9.2718 -8.2174 -8.2174 -8.0334 -8.0334 1.1954 1.1954 1.2428 1.2428 2.9127 2.9127 2.9265 2.9265 3.2051 3.2051 5.1054 5.1054 8.9236 8.9236 9.4997 9.4997 11.3296 11.3296 13.2316 13.2316 13.6535 13.6535 k = 0.4123 0.4123-0.0000 ( 1989 PWs) bands (ev): -26.4064 -26.4064 -9.2704 -9.2704 -8.2149 -8.2149 -8.0334 -8.0334 1.1966 1.1966 1.2440 1.2440 2.9151 2.9151 2.9311 2.9311 3.2003 3.2003 5.0765 5.0765 8.8934 8.8934 9.5066 9.5066 11.3879 11.3879 13.1676 13.1676 13.6652 13.6652 k = 0.4035 0.4035-0.0000 ( 1993 PWs) bands (ev): -26.4068 -26.4068 -9.2688 -9.2688 -8.2120 -8.2120 -8.0333 -8.0333 1.1979 1.1979 1.2453 1.2453 2.9176 2.9176 2.9360 2.9360 3.1951 3.1951 5.0439 5.0439 8.8649 8.8649 9.5175 9.5175 11.4439 11.4439 13.1033 13.1033 13.6781 13.6781 k = 0.3947 0.3947-0.0000 ( 1993 PWs) bands (ev): -26.4072 -26.4072 -9.2670 -9.2670 -8.2090 -8.2090 -8.0332 -8.0332 1.1993 1.1993 1.2465 1.2465 2.9202 2.9202 2.9412 2.9412 3.1895 3.1895 5.0075 5.0075 8.8393 8.8393 9.5323 9.5323 11.4968 11.4968 13.0394 13.0394 13.6922 13.6922 k = 0.3860 0.3860-0.0000 ( 1989 PWs) bands (ev): -26.4077 -26.4077 -9.2651 -9.2651 -8.2056 -8.2056 -8.0331 -8.0331 1.2007 1.2007 1.2478 1.2478 2.9229 2.9229 2.9467 2.9467 3.1835 3.1835 4.9673 4.9673 8.8176 8.8176 9.5503 9.5503 11.5459 11.5459 12.9767 12.9767 13.7076 13.7076 k = 0.3772 0.3772-0.0000 ( 2001 PWs) bands (ev): -26.4082 -26.4082 -9.2631 -9.2631 -8.2021 -8.2021 -8.0329 -8.0329 1.2021 1.2021 1.2490 1.2490 2.9257 2.9257 2.9524 2.9524 3.1773 3.1773 4.9232 4.9232 8.8010 8.8010 9.5713 9.5713 11.5905 11.5905 12.9156 12.9156 13.7241 13.7241 k = 0.3684 0.3684-0.0000 ( 1995 PWs) bands (ev): -26.4087 -26.4087 -9.2609 -9.2609 -8.1983 -8.1983 -8.0327 -8.0327 1.2035 1.2035 1.2502 1.2502 2.9284 2.9284 2.9584 2.9584 3.1709 3.1709 4.8752 4.8752 8.7900 8.7900 9.5949 9.5949 11.6304 11.6304 12.8566 12.8566 13.7418 13.7418 k = 0.3596 0.3596-0.0000 ( 2003 PWs) bands (ev): -26.4093 -26.4093 -9.2586 -9.2586 -8.1942 -8.1942 -8.0325 -8.0325 1.2050 1.2050 1.2513 1.2513 2.9312 2.9312 2.9644 2.9644 3.1643 3.1643 4.8236 4.8236 8.7852 8.7852 9.6209 9.6209 11.6654 11.6654 12.8002 12.8002 13.7608 13.7608 k = 0.3509 0.3509-0.0000 ( 2007 PWs) bands (ev): -26.4099 -26.4099 -9.2562 -9.2562 -8.1899 -8.1899 -8.0322 -8.0322 1.2063 1.2063 1.2523 1.2523 2.9338 2.9338 2.9706 2.9706 3.1575 3.1575 4.7683 4.7683 8.7871 8.7871 9.6491 9.6491 11.6954 11.6954 12.7466 12.7466 13.7808 13.7808 k = 0.3421 0.3421-0.0000 ( 2007 PWs) bands (ev): -26.4105 -26.4105 -9.2537 -9.2537 -8.1855 -8.1855 -8.0319 -8.0319 1.2077 1.2077 1.2532 1.2532 2.9364 2.9364 2.9767 2.9767 3.1507 3.1507 4.7096 4.7096 8.7960 8.7960 9.6793 9.6793 11.7204 11.7204 12.6962 12.6962 13.8020 13.8020 k = 0.3333 0.3333-0.0000 ( 2003 PWs) bands (ev): -26.4111 -26.4111 -9.2511 -9.2511 -8.1807 -8.1807 -8.0316 -8.0316 1.2089 1.2089 1.2539 1.2539 2.9388 2.9388 2.9829 2.9829 3.1438 3.1438 4.6477 4.6477 8.8118 8.8118 9.7112 9.7112 11.7405 11.7405 12.6492 12.6492 13.8244 13.8244 k = 0.3246 0.3246-0.0000 ( 2007 PWs) bands (ev): -26.4118 -26.4118 -9.2483 -9.2483 -8.1758 -8.1758 -8.0312 -8.0312 1.2101 1.2101 1.2546 1.2546 2.9412 2.9412 2.9889 2.9889 3.1369 3.1369 4.5829 4.5829 8.8348 8.8348 9.7449 9.7449 11.7560 11.7560 12.6057 12.6057 13.8478 13.8478 k = 0.3158 0.3158-0.0000 ( 2003 PWs) bands (ev): -26.4125 -26.4125 -9.2455 -9.2455 -8.1707 -8.1707 -8.0308 -8.0308 1.2112 1.2112 1.2550 1.2550 2.9433 2.9433 2.9948 2.9948 3.1302 3.1302 4.5154 4.5154 8.8649 8.8649 9.7801 9.7801 11.7672 11.7672 12.5660 12.5660 13.8723 13.8723 k = 0.3070 0.3070-0.0000 ( 1993 PWs) bands (ev): -26.4132 -26.4132 -9.2425 -9.2425 -8.1654 -8.1654 -8.0303 -8.0303 1.2122 1.2122 1.2553 1.2553 2.9453 2.9453 3.0004 3.0004 3.1237 3.1237 4.4457 4.4457 8.9020 8.9020 9.8167 9.8167 11.7745 11.7745 12.5302 12.5302 13.8978 13.8978 k = 0.2982 0.2982-0.0000 ( 1993 PWs) bands (ev): -26.4139 -26.4139 -9.2395 -9.2395 -8.1600 -8.1600 -8.0297 -8.0297 1.2131 1.2131 1.2554 1.2554 2.9470 2.9470 3.0055 3.0055 3.1175 3.1175 4.3740 4.3740 8.9459 8.9459 9.8546 9.8546 11.7782 11.7782 12.4984 12.4984 13.9243 13.9243 k = 0.2895 0.2895-0.0000 ( 1989 PWs) bands (ev): -26.4146 -26.4146 -9.2364 -9.2364 -8.1544 -8.1544 -8.0291 -8.0291 1.2139 1.2139 1.2552 1.2552 2.9485 2.9485 3.0102 3.0102 3.1117 3.1117 4.3007 4.3007 8.9964 8.9964 9.8938 9.8938 11.7787 11.7787 12.4708 12.4708 13.9518 13.9518 k = 0.2807 0.2807-0.0000 ( 1989 PWs) bands (ev): -26.4153 -26.4153 -9.2333 -9.2333 -8.1486 -8.1486 -8.0285 -8.0285 1.2145 1.2145 1.2549 1.2549 2.9498 2.9498 3.0141 3.0141 3.1066 3.1066 4.2261 4.2261 9.0533 9.0533 9.9341 9.9341 11.7766 11.7766 12.4473 12.4473 13.9801 13.9801 k = 0.2719 0.2719-0.0000 ( 1989 PWs) bands (ev): -26.4161 -26.4161 -9.2301 -9.2301 -8.1427 -8.1427 -8.0278 -8.0278 1.2150 1.2150 1.2543 1.2543 2.9508 2.9508 3.0171 3.0171 3.1022 3.1022 4.1507 4.1507 9.1162 9.1162 9.9755 9.9755 11.7723 11.7723 12.4281 12.4281 14.0094 14.0094 k = 0.2632 0.2632-0.0000 ( 1979 PWs) bands (ev): -26.4168 -26.4168 -9.2268 -9.2268 -8.1367 -8.1367 -8.0270 -8.0270 1.2154 1.2154 1.2535 1.2535 2.9515 2.9515 3.0190 3.0190 3.0989 3.0989 4.0746 4.0746 9.1849 9.1849 10.0179 10.0179 11.7663 11.7663 12.4132 12.4132 14.0395 14.0395 k = 0.2544 0.2544-0.0000 ( 1979 PWs) bands (ev): -26.4176 -26.4176 -9.2235 -9.2235 -8.1306 -8.1306 -8.0262 -8.0262 1.2156 1.2156 1.2525 1.2525 2.9520 2.9520 3.0197 3.0197 3.0967 3.0967 3.9983 3.9983 9.2589 9.2589 10.0612 10.0612 11.7590 11.7590 12.4026 12.4026 14.0703 14.0703 k = 0.2456 0.2456-0.0000 ( 1979 PWs) bands (ev): -26.4184 -26.4184 -9.2201 -9.2201 -8.1244 -8.1244 -8.0253 -8.0253 1.2157 1.2157 1.2513 1.2513 2.9522 2.9522 3.0190 3.0190 3.0956 3.0956 3.9221 3.9221 9.3379 9.3379 10.1054 10.1054 11.7510 11.7510 12.3964 12.3964 14.1019 14.1019 k = 0.2368 0.2368-0.0000 ( 1973 PWs) bands (ev): -26.4191 -26.4191 -9.2168 -9.2168 -8.1181 -8.1181 -8.0244 -8.0244 1.2156 1.2156 1.2499 1.2499 2.9522 2.9522 3.0172 3.0172 3.0957 3.0957 3.8463 3.8463 9.4215 9.4215 10.1504 10.1504 11.7427 11.7427 12.3946 12.3946 14.1340 14.1340 k = 0.2281 0.2281-0.0000 ( 1979 PWs) bands (ev): -26.4199 -26.4199 -9.2134 -9.2134 -8.1118 -8.1118 -8.0234 -8.0234 1.2154 1.2154 1.2482 1.2482 2.9518 2.9518 3.0142 3.0142 3.0966 3.0966 3.7713 3.7713 9.5090 9.5090 10.1962 10.1962 11.7346 11.7346 12.3973 12.3973 14.1666 14.1666 k = 0.2193 0.2193-0.0000 ( 1979 PWs) bands (ev): -26.4206 -26.4206 -9.2100 -9.2100 -8.1055 -8.1055 -8.0225 -8.0225 1.2150 1.2150 1.2464 1.2464 2.9512 2.9512 3.0105 3.0105 3.0982 3.0982 3.6973 3.6973 9.6000 9.6000 10.2427 10.2427 11.7272 11.7272 12.4043 12.4043 14.1996 14.1996 k = 0.2105 0.2105-0.0000 ( 1987 PWs) bands (ev): -26.4214 -26.4214 -9.2067 -9.2067 -8.0992 -8.0992 -8.0214 -8.0214 1.2145 1.2145 1.2444 1.2444 2.9503 2.9503 3.0061 3.0061 3.1002 3.1002 3.6246 3.6246 9.6939 9.6939 10.2899 10.2899 11.7212 11.7212 12.4157 12.4157 14.2322 14.2322 k = 0.2018 0.2018-0.0000 ( 1993 PWs) bands (ev): -26.4221 -26.4221 -9.2033 -9.2033 -8.0928 -8.0928 -8.0204 -8.0204 1.2139 1.2139 1.2422 1.2422 2.9491 2.9491 3.0014 3.0014 3.1023 3.1023 3.5536 3.5536 9.7898 9.7898 10.3378 10.3378 11.7169 11.7169 12.4315 12.4315 14.2433 14.2433 k = 0.1930 0.1930-0.0000 ( 1997 PWs) bands (ev): -26.4229 -26.4229 -9.2000 -9.2000 -8.0866 -8.0866 -8.0193 -8.0193 1.2132 1.2132 1.2398 1.2398 2.9477 2.9477 2.9963 2.9963 3.1043 3.1043 3.4847 3.4847 9.8869 9.8869 10.3865 10.3865 11.7152 11.7152 12.4516 12.4516 14.2007 14.2007 k = 0.1842 0.1842-0.0000 ( 1991 PWs) bands (ev): -26.4236 -26.4236 -9.1968 -9.1968 -8.0803 -8.0803 -8.0182 -8.0182 1.2124 1.2124 1.2373 1.2373 2.9459 2.9459 2.9912 2.9912 3.1058 3.1058 3.4182 3.4182 9.9842 9.9842 10.4358 10.4358 11.7168 11.7168 12.4760 12.4760 14.1560 14.1560 k = 0.1754 0.1754-0.0000 ( 1991 PWs) bands (ev): -26.4243 -26.4243 -9.1936 -9.1936 -8.0742 -8.0742 -8.0170 -8.0170 1.2114 1.2114 1.2347 1.2347 2.9437 2.9437 2.9860 2.9860 3.1065 3.1065 3.3548 3.3548 10.0806 10.0806 10.4857 10.4857 11.7224 11.7224 12.5047 12.5047 14.1123 14.1123 k = 0.1667 0.1667-0.0000 ( 1991 PWs) bands (ev): -26.4249 -26.4249 -9.1905 -9.1905 -8.0681 -8.0681 -8.0159 -8.0159 1.2104 1.2104 1.2320 1.2320 2.9411 2.9411 2.9807 2.9807 3.1055 3.1055 3.2956 3.2956 10.1748 10.1748 10.5363 10.5363 11.7330 11.7330 12.5377 12.5377 14.0698 14.0698 k = 0.1579 0.1579-0.0000 ( 1991 PWs) bands (ev): -26.4256 -26.4256 -9.1875 -9.1875 -8.0622 -8.0622 -8.0147 -8.0147 1.2094 1.2094 1.2292 1.2292 2.9379 2.9379 2.9755 2.9755 3.1011 3.1011 3.2427 3.2427 10.2655 10.2655 10.5873 10.5873 11.7495 11.7495 12.5750 12.5750 14.0290 14.0290 k = 0.1491 0.1491-0.0000 ( 1987 PWs) bands (ev): -26.4262 -26.4262 -9.1845 -9.1845 -8.0565 -8.0565 -8.0136 -8.0136 1.2082 1.2082 1.2264 1.2264 2.9336 2.9336 2.9704 2.9704 3.0896 3.0896 3.2002 3.2002 10.3512 10.3512 10.6383 10.6383 11.7731 11.7731 12.6165 12.6165 13.9901 13.9901 k = 0.1404 0.1404-0.0000 ( 1987 PWs) bands (ev): -26.4269 -26.4269 -9.1817 -9.1817 -8.0509 -8.0509 -8.0125 -8.0125 1.2071 1.2071 1.2235 1.2235 2.9276 2.9276 2.9655 2.9655 3.0669 3.0669 3.1731 3.1731 10.4310 10.4310 10.6888 10.6888 11.8047 11.8047 12.6624 12.6624 13.9536 13.9536 k = 0.1316 0.1316-0.0000 ( 1989 PWs) bands (ev): -26.4274 -26.4274 -9.1789 -9.1789 -8.0455 -8.0455 -8.0114 -8.0114 1.2059 1.2059 1.2207 1.2207 2.9185 2.9185 2.9607 2.9607 3.0358 3.0358 3.1602 3.1602 10.5043 10.5043 10.7377 10.7377 11.8449 11.8449 12.7127 12.7127 13.9198 13.9198 k = 0.1228 0.1228-0.0000 ( 1989 PWs) bands (ev): -26.4280 -26.4280 -9.1763 -9.1763 -8.0403 -8.0403 -8.0103 -8.0103 1.2047 1.2047 1.2179 1.2179 2.9036 2.9036 2.9561 2.9561 3.0056 3.0056 3.1549 3.1549 10.5709 10.5709 10.7837 10.7837 11.8939 11.8939 12.7678 12.7678 13.8893 13.8893 k = 0.1140 0.1140-0.0000 ( 1977 PWs) bands (ev): -26.4285 -26.4285 -9.1739 -9.1739 -8.0354 -8.0354 -8.0093 -8.0093 1.2035 1.2035 1.2151 1.2151 2.8806 2.8806 2.9520 2.9520 2.9828 2.9828 3.1529 3.1529 10.6313 10.6313 10.8256 10.8256 11.9512 11.9512 12.8278 12.8278 13.8626 13.8626 k = 0.1053 0.1053-0.0000 ( 1985 PWs) bands (ev): -26.4290 -26.4290 -9.1715 -9.1715 -8.0307 -8.0307 -8.0083 -8.0083 1.2023 1.2023 1.2124 1.2124 2.8507 2.8507 2.9483 2.9483 2.9683 2.9683 3.1524 3.1524 10.6861 10.6861 10.8625 10.8625 12.0153 12.0153 12.8934 12.8934 13.8403 13.8403 k = 0.0965 0.0965-0.0000 ( 1981 PWs) bands (ev): -26.4295 -26.4295 -9.1694 -9.1694 -8.0263 -8.0263 -8.0073 -8.0073 1.2011 1.2011 1.2098 1.2098 2.8176 2.8176 2.9451 2.9451 2.9591 2.9591 3.1526 3.1526 10.7358 10.7358 10.8940 10.8940 12.0841 12.0841 12.9650 12.9650 13.8231 13.8231 k = 0.0877 0.0877-0.0000 ( 1987 PWs) bands (ev): -26.4299 -26.4299 -9.1673 -9.1673 -8.0223 -8.0223 -8.0064 -8.0064 1.2000 1.2000 1.2073 1.2073 2.7845 2.7845 2.9424 2.9424 2.9527 2.9527 3.1532 3.1532 10.7810 10.7810 10.9201 10.9201 12.1549 12.1549 13.0432 13.0432 13.8115 13.8115 k = 0.0789 0.0789-0.0000 ( 1977 PWs) bands (ev): -26.4303 -26.4303 -9.1655 -9.1655 -8.0185 -8.0185 -8.0056 -8.0056 1.1990 1.1990 1.2050 1.2050 2.7529 2.7529 2.9401 2.9401 2.9478 2.9478 3.1539 3.1539 10.8221 10.8221 10.9414 10.9414 12.2245 12.2245 13.1288 13.1288 13.8060 13.8060 k = 0.0702 0.0702-0.0000 ( 1977 PWs) bands (ev): -26.4307 -26.4307 -9.1638 -9.1638 -8.0151 -8.0151 -8.0049 -8.0049 1.1980 1.1980 1.2028 1.2028 2.7237 2.7237 2.9380 2.9380 2.9439 2.9439 3.1547 3.1547 10.8591 10.8591 10.9583 10.9583 12.2901 12.2901 13.2219 13.2219 13.8070 13.8070 k = 0.0614 0.0614-0.0000 ( 1973 PWs) bands (ev): -26.4310 -26.4310 -9.1623 -9.1623 -8.0121 -8.0121 -8.0042 -8.0042 1.1972 1.1972 1.2009 1.2009 2.6974 2.6974 2.9363 2.9363 2.9407 2.9407 3.1554 3.1554 10.8923 10.8923 10.9717 10.9717 12.3493 12.3493 13.3223 13.3223 13.8143 13.8143 k = 0.0526 0.0526-0.0000 ( 1965 PWs) bands (ev): -26.4312 -26.4312 -9.1610 -9.1610 -8.0094 -8.0094 -8.0036 -8.0036 1.1964 1.1964 1.1991 1.1991 2.6742 2.6742 2.9349 2.9349 2.9380 2.9380 3.1561 3.1561 10.9214 10.9214 10.9820 10.9820 12.4005 12.4005 13.4287 13.4287 13.8274 13.8274 k = 0.0439 0.0439-0.0000 ( 1965 PWs) bands (ev): -26.4315 -26.4315 -9.1599 -9.1599 -8.0071 -8.0071 -8.0031 -8.0031 1.1957 1.1957 1.1976 1.1976 2.6544 2.6544 2.9337 2.9337 2.9358 2.9358 3.1567 3.1567 10.9465 10.9465 10.9899 10.9899 12.4429 12.4429 13.5387 13.5387 13.8453 13.8453 k = 0.0351 0.0351-0.0000 ( 1961 PWs) bands (ev): -26.4317 -26.4317 -9.1590 -9.1590 -8.0052 -8.0052 -8.0026 -8.0026 1.1951 1.1951 1.1964 1.1964 2.6380 2.6380 2.9327 2.9327 2.9340 2.9340 3.1572 3.1572 10.9673 10.9673 10.9958 10.9958 12.4765 12.4765 13.6484 13.6484 13.8662 13.8662 k = 0.0263 0.0263-0.0000 ( 1957 PWs) bands (ev): -26.4318 -26.4318 -9.1583 -9.1583 -8.0038 -8.0038 -8.0023 -8.0023 1.1947 1.1947 1.1954 1.1954 2.6252 2.6252 2.9319 2.9319 2.9327 2.9327 3.1576 3.1576 10.9837 10.9837 11.0000 11.0000 12.5016 12.5016 13.7518 13.7518 13.8876 13.8876 k = 0.0175 0.0175-0.0000 ( 1957 PWs) bands (ev): -26.4319 -26.4319 -9.1578 -9.1578 -8.0027 -8.0027 -8.0020 -8.0020 1.1943 1.1943 1.1947 1.1947 2.6160 2.6160 2.9314 2.9314 2.9317 2.9317 3.1579 3.1579 10.9955 10.9955 11.0029 11.0029 12.5188 12.5188 13.8402 13.8402 13.9064 13.9064 k = 0.0088 0.0088-0.0000 ( 1941 PWs) bands (ev): -26.4320 -26.4320 -9.1575 -9.1575 -8.0021 -8.0021 -8.0019 -8.0019 1.1942 1.1942 1.1942 1.1942 2.6105 2.6105 2.9310 2.9310 2.9311 2.9311 3.1581 3.1581 11.0027 11.0027 11.0045 11.0045 12.5289 12.5289 13.9018 13.9018 13.9195 13.9195 k = 0.0000 0.0000 0.0000 ( 1935 PWs) bands (ev): -26.4320 -26.4320 -9.1574 -9.1574 -8.0018 -8.0018 -8.0018 -8.0018 1.1941 1.1941 1.1941 1.1941 2.6086 2.6086 2.9309 2.9309 2.9309 2.9309 3.1582 3.1582 11.0051 11.0051 11.0051 11.0051 12.5322 12.5322 13.9242 13.9242 13.9242 13.9242 k = 0.0000 0.0000 0.0000 ( 1935 PWs) bands (ev): -26.4320 -26.4320 -9.1574 -9.1574 -8.0018 -8.0018 -8.0018 -8.0018 1.1941 1.1941 1.1941 1.1941 2.6086 2.6086 2.9309 2.9309 2.9309 2.9309 3.1582 3.1582 11.0051 11.0051 11.0051 11.0051 12.5322 12.5322 13.9242 13.9242 13.9242 13.9242 k = 0.0072 0.0072 0.0072 ( 1947 PWs) bands (ev): -26.4320 -26.4320 -9.1575 -9.1575 -8.0020 -8.0020 -8.0020 -8.0020 1.1942 1.1942 1.1942 1.1942 2.6105 2.6105 2.9311 2.9311 2.9311 2.9311 3.1581 3.1581 11.0030 11.0030 11.0042 11.0042 12.5288 12.5288 13.9000 13.9000 13.9207 13.9207 k = 0.0145 0.0145 0.0145 ( 1953 PWs) bands (ev): -26.4319 -26.4319 -9.1578 -9.1578 -8.0025 -8.0025 -8.0023 -8.0023 1.1944 1.1944 1.1946 1.1946 2.6162 2.6162 2.9315 2.9315 2.9316 2.9316 3.1579 3.1579 10.9967 10.9967 11.0015 11.0015 12.5183 12.5183 13.8349 13.8349 13.9104 13.9104 k = 0.0217 0.0217 0.0217 ( 1959 PWs) bands (ev): -26.4318 -26.4318 -9.1583 -9.1583 -8.0033 -8.0033 -8.0028 -8.0028 1.1949 1.1949 1.1952 1.1952 2.6256 2.6256 2.9322 2.9322 2.9324 2.9324 3.1576 3.1576 10.9864 10.9864 10.9971 10.9971 12.4998 12.4998 13.7445 13.7445 13.8937 13.8937 k = 0.0290 0.0290 0.0290 ( 1959 PWs) bands (ev): -26.4317 -26.4317 -9.1590 -9.1590 -8.0043 -8.0043 -8.0036 -8.0036 1.1955 1.1955 1.1961 1.1961 2.6387 2.6387 2.9332 2.9332 2.9336 2.9336 3.1572 3.1572 10.9722 10.9722 10.9910 10.9910 12.4718 12.4718 13.6430 13.6430 13.8709 13.8709 k = 0.0362 0.0362 0.0362 ( 1959 PWs) bands (ev): -26.4315 -26.4315 -9.1600 -9.1600 -8.0057 -8.0057 -8.0046 -8.0046 1.1962 1.1962 1.1972 1.1972 2.6554 2.6554 2.9345 2.9345 2.9351 2.9351 3.1567 3.1567 10.9544 10.9544 10.9833 10.9833 12.4328 12.4328 13.5407 13.5407 13.8427 13.8427 k = 0.0435 0.0435 0.0435 ( 1959 PWs) bands (ev): -26.4312 -26.4312 -9.1611 -9.1611 -8.0074 -8.0074 -8.0058 -8.0058 1.1971 1.1971 1.1985 1.1985 2.6757 2.6757 2.9360 2.9360 2.9371 2.9371 3.1561 3.1561 10.9331 10.9331 10.9741 10.9741 12.3810 12.3810 13.4445 13.4445 13.8097 13.8097 k = 0.0507 0.0507 0.0507 ( 1971 PWs) bands (ev): -26.4309 -26.4309 -9.1624 -9.1624 -8.0094 -8.0094 -8.0072 -8.0072 1.1982 1.1982 1.2000 1.2000 2.6994 2.6994 2.9378 2.9378 2.9394 2.9394 3.1554 3.1554 10.9088 10.9088 10.9635 10.9635 12.3158 12.3158 13.3584 13.3584 13.7722 13.7722 k = 0.0580 0.0580 0.0580 ( 1971 PWs) bands (ev): -26.4306 -26.4306 -9.1640 -9.1640 -8.0116 -8.0116 -8.0089 -8.0089 1.1995 1.1995 1.2017 1.2017 2.7263 2.7263 2.9399 2.9399 2.9422 2.9422 3.1546 3.1546 10.8815 10.8815 10.9516 10.9516 12.2373 12.2373 13.2839 13.2839 13.7309 13.7309 k = 0.0652 0.0652 0.0652 ( 1977 PWs) bands (ev): -26.4302 -26.4302 -9.1657 -9.1657 -8.0141 -8.0141 -8.0107 -8.0107 1.2008 1.2008 1.2035 1.2035 2.7563 2.7563 2.9422 2.9422 2.9456 2.9456 3.1539 3.1539 10.8517 10.8517 10.9385 10.9385 12.1473 12.1473 13.2209 13.2209 13.6861 13.6861 k = 0.0725 0.0725 0.0725 ( 1974 PWs) bands (ev): -26.4298 -26.4298 -9.1675 -9.1675 -8.0168 -8.0168 -8.0127 -8.0127 1.2023 1.2023 1.2054 1.2054 2.7888 2.7888 2.9448 2.9448 2.9499 2.9499 3.1532 3.1532 10.8195 10.8195 10.9245 10.9245 12.0481 12.0481 13.1676 13.1676 13.6384 13.6384 k = 0.0797 0.0797 0.0797 ( 1980 PWs) bands (ev): -26.4294 -26.4294 -9.1696 -9.1696 -8.0197 -8.0197 -8.0149 -8.0149 1.2040 1.2040 1.2074 1.2074 2.8231 2.8231 2.9476 2.9476 2.9554 2.9554 3.1528 3.1528 10.7852 10.7852 10.9095 10.9095 11.9427 11.9427 13.1217 13.1217 13.5880 13.5880 k = 0.0870 0.0870 0.0870 ( 1974 PWs) bands (ev): -26.4289 -26.4289 -9.1718 -9.1718 -8.0229 -8.0229 -8.0174 -8.0174 1.2057 1.2057 1.2095 1.2095 2.8580 2.8580 2.9507 2.9507 2.9632 2.9632 3.1528 3.1528 10.7488 10.7488 10.8936 10.8936 11.8340 11.8340 13.0812 13.0812 13.5353 13.5353 k = 0.0942 0.0942 0.0942 ( 1986 PWs) bands (ev): -26.4284 -26.4284 -9.1742 -9.1742 -8.0262 -8.0262 -8.0200 -8.0200 1.2076 1.2076 1.2116 1.2116 2.8905 2.8905 2.9540 2.9540 2.9756 2.9756 3.1536 3.1536 10.7107 10.7107 10.8770 10.8770 11.7242 11.7242 13.0441 13.0441 13.4808 13.4808 k = 0.1014 0.1014 0.1014 ( 1986 PWs) bands (ev): -26.4278 -26.4278 -9.1767 -9.1767 -8.0298 -8.0298 -8.0227 -8.0227 1.2096 1.2096 1.2138 1.2138 2.9161 2.9161 2.9575 2.9575 2.9960 2.9960 3.1563 3.1563 10.6708 10.6708 10.8597 10.8597 11.6154 11.6154 13.0092 13.0092 13.4248 13.4248 k = 0.1087 0.1087 0.1087 ( 1986 PWs) bands (ev): -26.4273 -26.4273 -9.1793 -9.1793 -8.0334 -8.0334 -8.0257 -8.0257 1.2116 1.2116 1.2159 1.2159 2.9328 2.9328 2.9612 2.9612 3.0243 3.0243 3.1628 3.1628 10.6292 10.6292 10.8417 10.8417 11.5091 11.5091 12.9754 12.9754 13.3676 13.3676 k = 0.1159 0.1159 0.1159 ( 1986 PWs) bands (ev): -26.4266 -26.4266 -9.1821 -9.1821 -8.0373 -8.0373 -8.0288 -8.0288 1.2138 1.2138 1.2180 1.2180 2.9433 2.9433 2.9652 2.9652 3.0537 3.0537 3.1770 3.1770 10.5861 10.5861 10.8231 10.8231 11.4066 11.4066 12.9422 12.9422 13.3098 13.3098 k = 0.1232 0.1232 0.1232 ( 1986 PWs) bands (ev): -26.4260 -26.4260 -9.1850 -9.1850 -8.0412 -8.0412 -8.0320 -8.0320 1.2160 1.2160 1.2200 1.2200 2.9509 2.9509 2.9693 2.9693 3.0757 3.0757 3.2041 3.2041 10.5415 10.5415 10.8037 10.8037 11.3086 11.3086 12.9094 12.9094 13.2517 13.2517 k = 0.1304 0.1304 0.1304 ( 1983 PWs) bands (ev): -26.4253 -26.4253 -9.1880 -9.1880 -8.0453 -8.0453 -8.0354 -8.0354 1.2183 1.2183 1.2220 1.2220 2.9571 2.9571 2.9736 2.9736 3.0875 3.0875 3.2450 3.2450 10.4955 10.4955 10.7836 10.7836 11.2158 11.2158 12.8768 12.8768 13.1938 13.1938 k = 0.1377 0.1377 0.1377 ( 1983 PWs) bands (ev): -26.4246 -26.4246 -9.1911 -9.1911 -8.0494 -8.0494 -8.0390 -8.0390 1.2207 1.2207 1.2239 1.2239 2.9626 2.9626 2.9781 2.9781 3.0923 3.0923 3.2957 3.2957 10.4482 10.4482 10.7627 10.7627 11.1288 11.1288 12.8447 12.8447 13.1365 13.1365 k = 0.1449 0.1449 0.1449 ( 1977 PWs) bands (ev): -26.4238 -26.4238 -9.1943 -9.1943 -8.0536 -8.0536 -8.0427 -8.0427 1.2230 1.2230 1.2257 1.2257 2.9679 2.9679 2.9828 2.9828 3.0931 3.0931 3.3526 3.3526 10.4000 10.4000 10.7408 10.7408 11.0475 11.0475 12.8133 12.8133 13.0804 13.0804 k = 0.1522 0.1522 0.1522 ( 1974 PWs) bands (ev): -26.4231 -26.4231 -9.1975 -9.1975 -8.0579 -8.0579 -8.0465 -8.0465 1.2255 1.2255 1.2273 1.2273 2.9729 2.9729 2.9876 2.9876 3.0918 3.0918 3.4136 3.4136 10.3510 10.3510 10.7179 10.7179 10.9722 10.9722 12.7829 12.7829 13.0259 13.0259 k = 0.1594 0.1594 0.1594 ( 1974 PWs) bands (ev): -26.4223 -26.4223 -9.2008 -9.2008 -8.0623 -8.0623 -8.0504 -8.0504 1.2279 1.2279 1.2288 1.2288 2.9779 2.9779 2.9926 2.9926 3.0891 3.0891 3.4776 3.4776 10.3015 10.3015 10.6936 10.6936 10.9027 10.9027 12.7539 12.7539 12.9735 12.9735 k = 0.1667 0.1667 0.1667 ( 1980 PWs) bands (ev): -26.4215 -26.4215 -9.2042 -9.2042 -8.0666 -8.0666 -8.0544 -8.0544 1.2302 1.2302 1.2304 1.2304 2.9829 2.9829 2.9978 2.9978 3.0856 3.0856 3.5439 3.5439 10.2519 10.2519 10.6678 10.6678 10.8389 10.8389 12.7267 12.7267 12.9237 12.9237 k = 0.1739 0.1739 0.1739 ( 1977 PWs) bands (ev): -26.4207 -26.4207 -9.2077 -9.2077 -8.0710 -8.0710 -8.0585 -8.0585 1.2315 1.2315 1.2329 1.2329 2.9878 2.9878 3.0031 3.0031 3.0814 3.0814 3.6120 3.6120 10.2024 10.2024 10.6404 10.6404 10.7805 10.7805 12.7017 12.7017 12.8772 12.8772 k = 0.1812 0.1812 0.1812 ( 1971 PWs) bands (ev): -26.4198 -26.4198 -9.2112 -9.2112 -8.0754 -8.0754 -8.0627 -8.0627 1.2326 1.2326 1.2354 1.2354 2.9928 2.9928 3.0085 3.0085 3.0767 3.0767 3.6818 3.6818 10.1533 10.1533 10.6110 10.6110 10.7275 10.7275 12.6793 12.6793 12.8342 12.8342 k = 0.1884 0.1884 0.1884 ( 1974 PWs) bands (ev): -26.4189 -26.4189 -9.2147 -9.2147 -8.0798 -8.0798 -8.0670 -8.0670 1.2336 1.2336 1.2379 1.2379 2.9977 2.9977 3.0141 3.0141 3.0718 3.0718 3.7528 3.7528 10.1046 10.1046 10.5795 10.5795 10.6797 10.6797 12.6599 12.6599 12.7954 12.7954 k = 0.1957 0.1957 0.1957 ( 1980 PWs) bands (ev): -26.4181 -26.4181 -9.2183 -9.2183 -8.0842 -8.0842 -8.0714 -8.0714 1.2344 1.2344 1.2404 1.2404 3.0026 3.0026 3.0199 3.0199 3.0666 3.0666 3.8249 3.8249 10.0563 10.0563 10.5457 10.5457 10.6371 10.6371 12.6438 12.6438 12.7612 12.7612 k = 0.2029 0.2029 0.2029 ( 1974 PWs) bands (ev): -26.4172 -26.4172 -9.2218 -9.2218 -8.0885 -8.0885 -8.0758 -8.0758 1.2351 1.2351 1.2429 1.2429 3.0074 3.0074 3.0257 3.0257 3.0614 3.0614 3.8978 3.8978 10.0081 10.0081 10.5094 10.5094 10.5999 10.5999 12.6314 12.6314 12.7320 12.7320 k = 0.2101 0.2101 0.2101 ( 1977 PWs) bands (ev): -26.4163 -26.4163 -9.2254 -9.2254 -8.0928 -8.0928 -8.0802 -8.0802 1.2357 1.2357 1.2454 1.2454 3.0119 3.0119 3.0317 3.0317 3.0564 3.0564 3.9715 3.9715 9.9599 9.9599 10.4704 10.4704 10.5683 10.5683 12.6228 12.6228 12.7080 12.7080 k = 0.2174 0.2174 0.2174 ( 1977 PWs) bands (ev): -26.4154 -26.4154 -9.2290 -9.2290 -8.0971 -8.0971 -8.0847 -8.0847 1.2362 1.2362 1.2478 1.2478 3.0157 3.0157 3.0378 3.0378 3.0520 3.0520 4.0456 4.0456 9.9112 9.9112 10.4288 10.4288 10.5425 10.5425 12.6184 12.6184 12.6897 12.6897 k = 0.2246 0.2246 0.2246 ( 1983 PWs) bands (ev): -26.4144 -26.4144 -9.2327 -9.2327 -8.1014 -8.1014 -8.0892 -8.0892 1.2366 1.2366 1.2503 1.2503 3.0181 3.0181 3.0441 3.0441 3.0489 3.0489 4.1202 4.1202 9.8618 9.8618 10.3844 10.3844 10.5227 10.5227 12.6183 12.6183 12.6771 12.6771 k = 0.2319 0.2319 0.2319 ( 1983 PWs) bands (ev): -26.4135 -26.4135 -9.2363 -9.2363 -8.1056 -8.1056 -8.0938 -8.0938 1.2369 1.2369 1.2526 1.2526 3.0183 3.0183 3.0482 3.0482 3.0504 3.0504 4.1951 4.1951 9.8111 9.8111 10.3373 10.3373 10.5092 10.5092 12.6226 12.6226 12.6704 12.6704 k = 0.2391 0.2391 0.2391 ( 1983 PWs) bands (ev): -26.4126 -26.4126 -9.2399 -9.2399 -8.1098 -8.1098 -8.0983 -8.0983 1.2372 1.2372 1.2550 1.2550 3.0160 3.0160 3.0500 3.0500 3.0569 3.0569 4.2702 4.2702 9.7591 9.7591 10.2877 10.2877 10.5019 10.5019 12.6314 12.6314 12.6697 12.6697 k = 0.2464 0.2464 0.2464 ( 1998 PWs) bands (ev): -26.4117 -26.4117 -9.2434 -9.2434 -8.1139 -8.1139 -8.1029 -8.1029 1.2375 1.2375 1.2573 1.2573 3.0118 3.0118 3.0539 3.0539 3.0635 3.0635 4.3454 4.3454 9.7054 9.7054 10.2356 10.2356 10.5007 10.5007 12.6447 12.6447 12.6749 12.6749 k = 0.2536 0.2536 0.2536 ( 1998 PWs) bands (ev): -26.4107 -26.4107 -9.2470 -9.2470 -8.1179 -8.1179 -8.1074 -8.1074 1.2378 1.2378 1.2596 1.2596 3.0067 3.0067 3.0589 3.0589 3.0702 3.0702 4.4207 4.4207 9.6503 9.6503 10.1812 10.1812 10.5053 10.5053 12.6625 12.6625 12.6860 12.6860 k = 0.2609 0.2609 0.2609 ( 1992 PWs) bands (ev): -26.4098 -26.4098 -9.2505 -9.2505 -8.1220 -8.1220 -8.1120 -8.1120 1.2381 1.2381 1.2618 1.2618 3.0012 3.0012 3.0646 3.0646 3.0770 3.0770 4.4960 4.4960 9.5935 9.5935 10.1248 10.1248 10.5151 10.5151 12.6848 12.6848 12.7029 12.7029 k = 0.2681 0.2681 0.2681 ( 1995 PWs) bands (ev): -26.4089 -26.4089 -9.2540 -9.2540 -8.1259 -8.1259 -8.1165 -8.1165 1.2385 1.2385 1.2640 1.2640 2.9955 2.9955 3.0707 3.0707 3.0839 3.0839 4.5713 4.5713 9.5354 9.5354 10.0667 10.0667 10.5295 10.5295 12.7115 12.7115 12.7254 12.7254 k = 0.2754 0.2754 0.2754 ( 1992 PWs) bands (ev): -26.4080 -26.4080 -9.2575 -9.2575 -8.1298 -8.1298 -8.1209 -8.1209 1.2390 1.2390 1.2662 1.2662 2.9898 2.9898 3.0772 3.0772 3.0909 3.0909 4.6465 4.6465 9.4761 9.4761 10.0071 10.0071 10.5477 10.5477 12.7425 12.7425 12.7532 12.7532 k = 0.2826 0.2826 0.2826 ( 1986 PWs) bands (ev): -26.4071 -26.4071 -9.2610 -9.2610 -8.1336 -8.1336 -8.1254 -8.1254 1.2396 1.2396 1.2682 1.2682 2.9842 2.9842 3.0839 3.0839 3.0980 3.0980 4.7218 4.7218 9.4158 9.4158 9.9463 9.9463 10.5684 10.5684 12.7778 12.7778 12.7863 12.7863 k = 0.2899 0.2899 0.2899 ( 1980 PWs) bands (ev): -26.4062 -26.4062 -9.2644 -9.2644 -8.1374 -8.1374 -8.1298 -8.1298 1.2403 1.2403 1.2703 1.2703 2.9788 2.9788 3.0909 3.0909 3.1052 3.1052 4.7972 4.7972 9.3548 9.3548 9.8846 9.8846 10.5905 10.5905 12.8172 12.8172 12.8243 12.8243 k = 0.2971 0.2971 0.2971 ( 1980 PWs) bands (ev): -26.4053 -26.4053 -9.2677 -9.2677 -8.1411 -8.1411 -8.1341 -8.1341 1.2412 1.2412 1.2723 1.2723 2.9737 2.9737 3.0980 3.0980 3.1124 3.1124 4.8726 4.8726 9.2934 9.2934 9.8222 9.8222 10.6125 10.6125 12.8606 12.8606 12.8670 12.8670 k = 0.3043 0.3043 0.3043 ( 1980 PWs) bands (ev): -26.4044 -26.4044 -9.2710 -9.2710 -8.1447 -8.1447 -8.1383 -8.1383 1.2422 1.2422 1.2742 1.2742 2.9688 2.9688 3.1053 3.1053 3.1197 3.1197 4.9481 4.9481 9.2317 9.2317 9.7596 9.7596 10.6325 10.6325 12.9078 12.9078 12.9142 12.9142 k = 0.3116 0.3116 0.3116 ( 1980 PWs) bands (ev): -26.4035 -26.4035 -9.2742 -9.2742 -8.1483 -8.1483 -8.1425 -8.1425 1.2435 1.2435 1.2761 1.2761 2.9643 2.9643 3.1127 3.1127 3.1271 3.1271 5.0239 5.0239 9.1700 9.1700 9.6969 9.6969 10.6486 10.6486 12.9587 12.9587 12.9656 12.9656 k = 0.3188 0.3188 0.3188 ( 1980 PWs) bands (ev): -26.4027 -26.4027 -9.2774 -9.2774 -8.1518 -8.1518 -8.1466 -8.1466 1.2449 1.2449 1.2779 1.2779 2.9601 2.9601 3.1202 3.1202 3.1344 3.1344 5.0999 5.0999 9.1085 9.1085 9.6345 9.6345 10.6587 10.6587 13.0131 13.0131 13.0210 13.0210 k = 0.3261 0.3261 0.3261 ( 1986 PWs) bands (ev): -26.4019 -26.4019 -9.2805 -9.2805 -8.1552 -8.1552 -8.1506 -8.1506 1.2466 1.2466 1.2797 1.2797 2.9562 2.9562 3.1278 3.1278 3.1418 3.1418 5.1764 5.1764 9.0476 9.0476 9.5725 9.5725 10.6603 10.6603 13.0708 13.0708 13.0801 13.0801 k = 0.3333 0.3333 0.3333 ( 1980 PWs) bands (ev): -26.4011 -26.4011 -9.2836 -9.2836 -8.1586 -8.1586 -8.1545 -8.1545 1.2485 1.2485 1.2814 1.2814 2.9527 2.9527 3.1355 3.1355 3.1492 3.1492 5.2532 5.2532 8.9873 8.9873 9.5113 9.5113 10.6512 10.6512 13.1318 13.1318 13.1428 13.1428 k = 0.3406 0.3406 0.3406 ( 1986 PWs) bands (ev): -26.4003 -26.4003 -9.2865 -9.2865 -8.1618 -8.1618 -8.1582 -8.1582 1.2505 1.2505 1.2831 1.2831 2.9495 2.9495 3.1433 3.1433 3.1566 3.1566 5.3306 5.3306 8.9279 8.9279 9.4510 9.4510 10.6293 10.6293 13.1958 13.1958 13.2087 13.2087 k = 0.3478 0.3478 0.3478 ( 1986 PWs) bands (ev): -26.3995 -26.3995 -9.2894 -9.2894 -8.1650 -8.1650 -8.1619 -8.1619 1.2528 1.2528 1.2847 1.2847 2.9468 2.9468 3.1511 3.1511 3.1639 3.1639 5.4087 5.4087 8.8696 8.8696 9.3920 9.3920 10.5930 10.5930 13.2626 13.2626 13.2777 13.2777 k = 0.3551 0.3551 0.3551 ( 1980 PWs) bands (ev): -26.3988 -26.3988 -9.2922 -9.2922 -8.1681 -8.1681 -8.1655 -8.1655 1.2553 1.2553 1.2863 1.2863 2.9443 2.9443 3.1589 3.1589 3.1712 3.1712 5.4875 5.4875 8.8124 8.8124 9.3343 9.3343 10.5414 10.5414 13.3320 13.3320 13.3495 13.3495 k = 0.3623 0.3623 0.3623 ( 1980 PWs) bands (ev): -26.3981 -26.3981 -9.2949 -9.2949 -8.1712 -8.1712 -8.1689 -8.1689 1.2580 1.2580 1.2877 1.2877 2.9423 2.9423 3.1667 3.1667 3.1784 3.1784 5.5672 5.5672 8.7567 8.7567 9.2782 9.2782 10.4746 10.4746 13.3855 13.3855 13.4045 13.4045 k = 0.3696 0.3696 0.3696 ( 1980 PWs) bands (ev): -26.3974 -26.3974 -9.2975 -9.2975 -8.1741 -8.1741 -8.1722 -8.1722 1.2608 1.2608 1.2892 1.2892 2.9405 2.9405 3.1744 3.1744 3.1854 3.1854 5.6477 5.6477 8.7025 8.7025 9.2238 9.2238 10.3935 10.3935 13.3961 13.3961 13.4784 13.4784 k = 0.3768 0.3768 0.3768 ( 1980 PWs) bands (ev): -26.3967 -26.3967 -9.3000 -9.3000 -8.1769 -8.1769 -8.1753 -8.1753 1.2638 1.2638 1.2905 1.2905 2.9390 2.9390 3.1820 3.1820 3.1923 3.1923 5.7292 5.7292 8.6499 8.6499 9.1714 9.1714 10.2995 10.2995 13.4251 13.4251 13.5547 13.5548 k = 0.3841 0.3841 0.3841 ( 1986 PWs) bands (ev): -26.3961 -26.3961 -9.3024 -9.3024 -8.1796 -8.1796 -8.1783 -8.1783 1.2669 1.2669 1.2918 1.2918 2.9379 2.9379 3.1895 3.1895 3.1991 3.1991 5.8117 5.8117 8.5990 8.5990 9.1212 9.1212 10.1947 10.1947 13.4709 13.4709 13.6328 13.6328 k = 0.3913 0.3913 0.3913 ( 1986 PWs) bands (ev): -26.3955 -26.3955 -9.3047 -9.3047 -8.1822 -8.1822 -8.1811 -8.1811 1.2701 1.2701 1.2930 1.2930 2.9370 2.9370 3.1969 3.1969 3.2057 3.2057 5.8952 5.8952 8.5499 8.5499 9.0731 9.0731 10.0812 10.0812 13.5312 13.5312 13.7126 13.7126 k = 0.3986 0.3986 0.3986 ( 1983 PWs) bands (ev): -26.3950 -26.3950 -9.3068 -9.3068 -8.1847 -8.1847 -8.1838 -8.1838 1.2733 1.2733 1.2942 1.2942 2.9363 2.9363 3.2040 3.2040 3.2120 3.2120 5.9798 5.9798 8.5026 8.5026 9.0275 9.0275 9.9612 9.9612 13.6039 13.6039 13.7937 13.7937 k = 0.4058 0.4058 0.4058 ( 1983 PWs) bands (ev): -26.3944 -26.3944 -9.3089 -9.3089 -8.1870 -8.1870 -8.1863 -8.1863 1.2765 1.2765 1.2953 1.2953 2.9359 2.9359 3.2109 3.2109 3.2180 3.2180 6.0653 6.0653 8.4572 8.4572 8.9844 8.9844 9.8369 9.8369 13.6867 13.6867 13.8758 13.8758 k = 0.4130 0.4130 0.4130 ( 1971 PWs) bands (ev): -26.3939 -26.3939 -9.3108 -9.3108 -8.1892 -8.1892 -8.1887 -8.1887 1.2797 1.2797 1.2963 1.2963 2.9356 2.9356 3.2175 3.2175 3.2238 3.2238 6.1517 6.1517 8.4135 8.4135 8.9440 8.9440 9.7103 9.7103 13.7776 13.7776 13.9587 13.9587 k = 0.4203 0.4203 0.4203 ( 1965 PWs) bands (ev): -26.3935 -26.3935 -9.3126 -9.3126 -8.1912 -8.1912 -8.1909 -8.1909 1.2828 1.2828 1.2972 1.2972 2.9355 2.9355 3.2238 3.2238 3.2293 3.2293 6.2387 6.2387 8.3715 8.3715 8.9064 8.9064 9.5832 9.5832 13.8743 13.8743 14.0420 14.0420 k = 0.4275 0.4275 0.4275 ( 1974 PWs) bands (ev): -26.3931 -26.3931 -9.3142 -9.3142 -8.1931 -8.1931 -8.1929 -8.1929 1.2858 1.2858 1.2981 1.2981 2.9355 2.9355 3.2297 3.2297 3.2344 3.2344 6.3261 6.3261 8.3311 8.3311 8.8717 8.8717 9.4576 9.4576 13.9748 13.9748 14.1252 14.1252 k = 0.4348 0.4348 0.4348 ( 1968 PWs) bands (ev): -26.3927 -26.3927 -9.3157 -9.3157 -8.1949 -8.1949 -8.1947 -8.1947 1.2886 1.2886 1.2989 1.2989 2.9356 2.9356 3.2352 3.2352 3.2391 3.2391 6.4134 6.4134 8.2920 8.2920 8.8399 8.8399 9.3352 9.3352 14.0771 14.0771 14.2081 14.2081 k = 0.4420 0.4420 0.4420 ( 1968 PWs) bands (ev): -26.3923 -26.3923 -9.3171 -9.3171 -8.1965 -8.1965 -8.1963 -8.1963 1.2913 1.2913 1.2996 1.2996 2.9357 2.9357 3.2402 3.2402 3.2434 3.2434 6.5000 6.5000 8.2539 8.2539 8.8113 8.8113 9.2179 9.2179 14.1786 14.1786 14.2901 14.2902 k = 0.4493 0.4493 0.4493 ( 1968 PWs) bands (ev): -26.3920 -26.3920 -9.3183 -9.3183 -8.1979 -8.1979 -8.1978 -8.1978 1.2937 1.2937 1.3002 1.3002 2.9359 2.9359 3.2448 3.2448 3.2473 3.2473 6.5851 6.5851 8.2167 8.2167 8.7858 8.7858 9.1077 9.1077 14.2767 14.2767 14.3710 14.3710 k = 0.4565 0.4565 0.4565 ( 1968 PWs) bands (ev): -26.3917 -26.3917 -9.3193 -9.3193 -8.1991 -8.1991 -8.1991 -8.1991 1.2959 1.2959 1.3008 1.3008 2.9361 2.9361 3.2488 3.2488 3.2507 3.2507 6.6674 6.6674 8.1800 8.1800 8.7636 8.7636 9.0068 9.0068 14.3681 14.3681 14.4503 14.4503 k = 0.4638 0.4638 0.4638 ( 1968 PWs) bands (ev): -26.3915 -26.3915 -9.3202 -9.3202 -8.2002 -8.2002 -8.2001 -8.2001 1.2978 1.2978 1.3012 1.3012 2.9364 2.9364 3.2523 3.2523 3.2536 3.2536 6.7453 6.7453 8.1439 8.1439 8.7447 8.7447 8.9173 8.9173 14.4496 14.4496 14.5269 14.5269 k = 0.4710 0.4710 0.4710 ( 1968 PWs) bands (ev): -26.3913 -26.3913 -9.3210 -9.3210 -8.2010 -8.2010 -8.2010 -8.2010 1.2994 1.2994 1.3016 1.3016 2.9366 2.9366 3.2551 3.2551 3.2560 3.2560 6.8165 6.8165 8.1090 8.1090 8.7291 8.7291 8.8413 8.8413 14.5189 14.5189 14.5985 14.5986 k = 0.4783 0.4783 0.4783 ( 1968 PWs) bands (ev): -26.3912 -26.3912 -9.3215 -9.3215 -8.2017 -8.2017 -8.2017 -8.2017 1.3007 1.3007 1.3019 1.3019 2.9368 2.9368 3.2574 3.2574 3.2579 3.2579 6.8780 6.8780 8.0769 8.0769 8.7170 8.7170 8.7807 8.7807 14.5748 14.5748 14.6608 14.6608 k = 0.4855 0.4855 0.4855 ( 1968 PWs) bands (ev): -26.3911 -26.3911 -9.3219 -9.3219 -8.2022 -8.2022 -8.2022 -8.2022 1.3016 1.3016 1.3021 1.3021 2.9369 2.9369 3.2590 3.2590 3.2593 3.2593 6.9262 6.9262 8.0502 8.0502 8.7083 8.7083 8.7367 8.7367 14.6163 14.6163 14.7092 14.7093 k = 0.4928 0.4928 0.4928 ( 1980 PWs) bands (ev): -26.3910 -26.3910 -9.3222 -9.3222 -8.2025 -8.2025 -8.2025 -8.2025 1.3021 1.3021 1.3023 1.3023 2.9370 2.9370 3.2600 3.2600 3.2601 3.2601 6.9572 6.9572 8.0322 8.0322 8.7031 8.7031 8.7102 8.7102 14.6419 14.6419 14.7400 14.7401 k = 0.5000 0.5000 0.5000 ( 2008 PWs) bands (ev): -26.3910 -26.3910 -9.3223 -9.3223 -8.2026 -8.2026 -8.2026 -8.2026 1.3023 1.3023 1.3023 1.3023 2.9370 2.9370 3.2604 3.2604 3.2604 3.2604 6.9680 6.9680 8.0257 8.0257 8.7013 8.7013 8.7013 8.7013 14.6505 14.6505 14.7504 14.7504 k = 0.5000 0.5000 0.5000 ( 2008 PWs) bands (ev): -26.3910 -26.3910 -9.3223 -9.3223 -8.2026 -8.2026 -8.2026 -8.2026 1.3023 1.3023 1.3023 1.3023 2.9370 2.9370 3.2604 3.2604 3.2604 3.2604 6.9680 6.9680 8.0257 8.0257 8.7013 8.7013 8.7013 8.7013 14.6505 14.6505 14.7504 14.7504 k = 0.4912 0.5000 0.4912 ( 1980 PWs) bands (ev): -26.3910 -26.3910 -9.3222 -9.3222 -8.2026 -8.2026 -8.2024 -8.2024 1.3021 1.3021 1.3023 1.3023 2.9370 2.9370 3.2599 3.2599 3.2602 3.2602 6.9575 6.9575 8.0320 8.0320 8.7029 8.7029 8.7101 8.7101 14.6419 14.6419 14.7374 14.7374 k = 0.4825 0.5000 0.4825 ( 1966 PWs) bands (ev): -26.3911 -26.3911 -9.3219 -9.3219 -8.2025 -8.2025 -8.2020 -8.2020 1.3016 1.3016 1.3021 1.3021 2.9369 2.9369 3.2587 3.2587 3.2596 3.2596 6.9271 6.9271 8.0496 8.0496 8.7075 8.7075 8.7366 8.7366 14.6141 14.6141 14.6996 14.6996 k = 0.4737 0.5000 0.4737 ( 1966 PWs) bands (ev): -26.3912 -26.3912 -9.3215 -9.3215 -8.2024 -8.2024 -8.2011 -8.2011 1.3008 1.3008 1.3019 1.3019 2.9368 2.9368 3.2567 3.2567 3.2588 3.2588 6.8801 6.8801 8.0756 8.0756 8.7153 8.7153 8.7804 8.7804 14.5650 14.5650 14.6413 14.6413 k = 0.4649 0.5000 0.4649 ( 1966 PWs) bands (ev): -26.3913 -26.3913 -9.3210 -9.3210 -8.2022 -8.2022 -8.2000 -8.2000 1.2996 1.2996 1.3015 1.3015 2.9366 2.9366 3.2538 3.2538 3.2575 3.2575 6.8200 6.8200 8.1066 8.1066 8.7260 8.7260 8.8412 8.8412 14.4955 14.4955 14.5681 14.5681 k = 0.4561 0.5000 0.4561 ( 1962 PWs) bands (ev): -26.3915 -26.3915 -9.3203 -9.3203 -8.2019 -8.2019 -8.1985 -8.1985 1.2981 1.2981 1.3011 1.3011 2.9364 2.9364 3.2502 3.2502 3.2559 3.2559 6.7506 6.7506 8.1400 8.1400 8.7397 8.7397 8.9178 8.9178 14.4091 14.4091 14.4852 14.4852 k = 0.4474 0.5000 0.4474 ( 1962 PWs) bands (ev): -26.3917 -26.3917 -9.3194 -9.3194 -8.2016 -8.2016 -8.1968 -8.1968 1.2962 1.2962 1.3005 1.3005 2.9361 2.9361 3.2459 3.2459 3.2540 3.2540 6.6748 6.6748 8.1740 8.1740 8.7562 8.7562 9.0086 9.0086 14.3101 14.3101 14.3960 14.3960 k = 0.4386 0.5000 0.4386 ( 1962 PWs) bands (ev): -26.3920 -26.3920 -9.3184 -9.3184 -8.2012 -8.2012 -8.1947 -8.1947 1.2941 1.2941 1.2999 1.2999 2.9359 2.9359 3.2408 3.2408 3.2518 3.2518 6.5949 6.5949 8.2078 8.2078 8.7756 8.7756 9.1119 9.1119 14.2025 14.2025 14.3026 14.3026 k = 0.4298 0.5000 0.4298 ( 1962 PWs) bands (ev): -26.3923 -26.3923 -9.3172 -9.3172 -8.2008 -8.2008 -8.1923 -8.1923 1.2918 1.2918 1.2992 1.2992 2.9356 2.9356 3.2351 3.2351 3.2492 3.2492 6.5127 6.5127 8.2412 8.2412 8.7976 8.7976 9.2259 9.2259 14.0899 14.0899 14.2062 14.2062 k = 0.4211 0.5000 0.4211 ( 1962 PWs) bands (ev): -26.3926 -26.3926 -9.3159 -9.3159 -8.2004 -8.2004 -8.1896 -8.1896 1.2892 1.2892 1.2984 1.2984 2.9353 2.9353 3.2288 3.2288 3.2463 3.2463 6.4295 6.4295 8.2741 8.2741 8.8222 8.8222 9.3488 9.3488 13.9750 13.9750 14.1078 14.1078 k = 0.4123 0.5000 0.4123 ( 1968 PWs) bands (ev): -26.3930 -26.3930 -9.3145 -9.3145 -8.1999 -8.1999 -8.1866 -8.1866 1.2863 1.2863 1.2976 1.2976 2.9351 2.9351 3.2219 3.2219 3.2431 3.2431 6.3462 6.3462 8.3065 8.3065 8.8493 8.8493 9.4791 9.4791 13.8599 13.8599 14.0080 14.0080 k = 0.4035 0.5000 0.4035 ( 1976 PWs) bands (ev): -26.3934 -26.3934 -9.3129 -9.3129 -8.1993 -8.1993 -8.1833 -8.1833 1.2833 1.2833 1.2967 1.2967 2.9349 2.9349 3.2145 3.2145 3.2396 3.2396 6.2635 6.2635 8.3384 8.3384 8.8788 8.8788 9.6157 9.6157 13.7465 13.7465 13.9075 13.9075 k = 0.3947 0.5000 0.3947 ( 1976 PWs) bands (ev): -26.3938 -26.3938 -9.3113 -9.3113 -8.1988 -8.1988 -8.1798 -8.1798 1.2801 1.2801 1.2957 1.2957 2.9348 2.9348 3.2066 3.2066 3.2358 3.2358 6.1821 6.1821 8.3694 8.3694 8.9107 8.9107 9.7573 9.7573 13.6362 13.6362 13.8067 13.8067 k = 0.3860 0.5000 0.3860 ( 1980 PWs) bands (ev): -26.3943 -26.3943 -9.3095 -9.3095 -8.1981 -8.1981 -8.1760 -8.1760 1.2768 1.2768 1.2946 1.2946 2.9348 2.9348 3.1984 3.1984 3.2317 3.2317 6.1022 6.1022 8.3992 8.3992 8.9450 8.9450 9.9032 9.9032 13.5302 13.5302 13.7060 13.7060 k = 0.3772 0.5000 0.3772 ( 1984 PWs) bands (ev): -26.3948 -26.3948 -9.3076 -9.3076 -8.1975 -8.1975 -8.1720 -8.1720 1.2734 1.2734 1.2935 1.2935 2.9349 2.9349 3.1898 3.1898 3.2274 3.2274 6.0243 6.0243 8.4274 8.4274 8.9818 8.9818 10.0525 10.0525 13.4297 13.4297 13.6055 13.6055 k = 0.3684 0.5000 0.3684 ( 1980 PWs) bands (ev): -26.3953 -26.3953 -9.3056 -9.3056 -8.1968 -8.1968 -8.1677 -8.1677 1.2700 1.2700 1.2924 1.2924 2.9351 2.9351 3.1809 3.1809 3.2229 3.2229 5.9485 5.9485 8.4531 8.4531 9.0212 9.0212 10.2045 10.2045 13.3357 13.3357 13.5057 13.5057 k = 0.3596 0.5000 0.3596 ( 1992 PWs) bands (ev): -26.3959 -26.3959 -9.3035 -9.3035 -8.1961 -8.1961 -8.1632 -8.1632 1.2664 1.2664 1.2912 1.2912 2.9355 2.9355 3.1718 3.1718 3.2181 3.2181 5.8751 5.8751 8.4758 8.4758 9.0632 9.0632 10.3583 10.3583 13.2491 13.2491 13.4067 13.4067 k = 0.3509 0.5000 0.3509 ( 1988 PWs) bands (ev): -26.3965 -26.3965 -9.3014 -9.3014 -8.1953 -8.1953 -8.1584 -8.1584 1.2629 1.2629 1.2900 1.2900 2.9360 2.9360 3.1625 3.1625 3.2131 3.2131 5.8041 5.8041 8.4947 8.4947 9.1081 9.1081 10.5134 10.5134 13.1708 13.1708 13.3086 13.3086 k = 0.3421 0.5000 0.3421 ( 1988 PWs) bands (ev): -26.3971 -26.3971 -9.2992 -9.2992 -8.1945 -8.1945 -8.1535 -8.1535 1.2594 1.2594 1.2888 1.2888 2.9367 2.9367 3.1532 3.1532 3.2079 3.2079 5.7357 5.7357 8.5089 8.5089 9.1560 9.1560 10.6688 10.6688 13.1017 13.1017 13.2116 13.2116 k = 0.3333 0.5000 0.3333 ( 1992 PWs) bands (ev): -26.3977 -26.3977 -9.2969 -9.2969 -8.1937 -8.1937 -8.1484 -8.1484 1.2560 1.2560 1.2875 1.2875 2.9376 2.9376 3.1438 3.1438 3.2025 3.2025 5.6700 5.6700 8.5177 8.5177 9.2070 9.2070 10.8238 10.8238 13.0423 13.0423 13.1158 13.1158 k = 0.3246 0.5000 0.3246 ( 1988 PWs) bands (ev): -26.3984 -26.3984 -9.2946 -9.2946 -8.1929 -8.1929 -8.1431 -8.1431 1.2526 1.2526 1.2863 1.2863 2.9387 2.9387 3.1344 3.1344 3.1969 3.1969 5.6070 5.6070 8.5205 8.5205 9.2613 9.2613 10.9773 10.9773 12.9933 12.9933 13.0213 13.0213 k = 0.3158 0.5000 0.3158 ( 1992 PWs) bands (ev): -26.3990 -26.3990 -9.2922 -9.2922 -8.1921 -8.1921 -8.1377 -8.1377 1.2493 1.2493 1.2850 1.2850 2.9400 2.9400 3.1252 3.1252 3.1912 3.1912 5.5467 5.5467 8.5169 8.5169 9.3187 9.3187 11.1283 11.1283 12.9282 12.9282 12.9552 12.9552 k = 0.3070 0.5000 0.3070 ( 1992 PWs) bands (ev): -26.3997 -26.3997 -9.2898 -9.2898 -8.1912 -8.1912 -8.1321 -8.1321 1.2462 1.2462 1.2838 1.2838 2.9415 2.9415 3.1160 3.1160 3.1854 3.1854 5.4892 5.4892 8.5064 8.5064 9.3793 9.3793 11.2754 11.2754 12.8367 12.8367 12.9282 12.9282 k = 0.2982 0.5000 0.2982 ( 1996 PWs) bands (ev): -26.4004 -26.4004 -9.2874 -9.2874 -8.1903 -8.1903 -8.1265 -8.1265 1.2432 1.2432 1.2826 1.2826 2.9433 2.9433 3.1071 3.1071 3.1795 3.1795 5.4345 5.4345 8.4890 8.4890 9.4429 9.4429 11.4171 11.4171 12.7467 12.7467 12.9125 12.9125 k = 0.2895 0.5000 0.2895 ( 1996 PWs) bands (ev): -26.4011 -26.4011 -9.2850 -9.2850 -8.1895 -8.1895 -8.1207 -8.1207 1.2404 1.2404 1.2814 1.2814 2.9453 2.9453 3.0984 3.0984 3.1735 3.1735 5.3825 5.3825 8.4646 8.4646 9.5093 9.5093 11.5516 11.5516 12.6584 12.6584 12.9081 12.9081 k = 0.2807 0.5000 0.2807 ( 1984 PWs) bands (ev): -26.4018 -26.4018 -9.2825 -9.2825 -8.1886 -8.1886 -8.1148 -8.1148 1.2377 1.2377 1.2802 1.2802 2.9475 2.9475 3.0901 3.0901 3.1674 3.1674 5.3332 5.3332 8.4335 8.4335 9.5784 9.5784 11.6770 11.6770 12.5718 12.5718 12.9148 12.9148 k = 0.2719 0.5000 0.2719 ( 1988 PWs) bands (ev): -26.4026 -26.4026 -9.2801 -9.2801 -8.1877 -8.1877 -8.1088 -8.1088 1.2353 1.2353 1.2791 1.2791 2.9500 2.9500 3.0821 3.0821 3.1613 3.1613 5.2866 5.2866 8.3959 8.3959 9.6499 9.6499 11.7912 11.7912 12.4871 12.4871 12.9322 12.9322 k = 0.2632 0.5000 0.2632 ( 1988 PWs) bands (ev): -26.4033 -26.4033 -9.2777 -9.2777 -8.1868 -8.1868 -8.1029 -8.1029 1.2330 1.2330 1.2781 1.2781 2.9526 2.9526 3.0745 3.0745 3.1552 3.1552 5.2426 5.2426 8.3523 8.3523 9.7236 9.7236 11.8920 11.8920 12.4042 12.4042 12.9599 12.9599 k = 0.2544 0.5000 0.2544 ( 1988 PWs) bands (ev): -26.4040 -26.4040 -9.2753 -9.2753 -8.1859 -8.1859 -8.0968 -8.0968 1.2310 1.2310 1.2771 1.2771 2.9554 2.9554 3.0674 3.0674 3.1491 3.1491 5.2012 5.2012 8.3033 8.3033 9.7992 9.7992 11.9778 11.9778 12.3233 12.3233 12.9971 12.9971 k = 0.2456 0.5000 0.2456 ( 1980 PWs) bands (ev): -26.4048 -26.4048 -9.2730 -9.2730 -8.1850 -8.1850 -8.0908 -8.0908 1.2292 1.2292 1.2761 1.2761 2.9584 2.9584 3.0608 3.0608 3.1431 3.1431 5.1624 5.1624 8.2493 8.2493 9.8764 9.8764 12.0474 12.0474 12.2444 12.2444 13.0431 13.0431 k = 0.2368 0.5000 0.2368 ( 1988 PWs) bands (ev): -26.4055 -26.4055 -9.2706 -9.2706 -8.1842 -8.1842 -8.0847 -8.0847 1.2275 1.2275 1.2753 1.2753 2.9614 2.9614 3.0549 3.0549 3.1371 3.1371 5.1260 5.1260 8.1911 8.1911 9.9551 9.9551 12.1002 12.1002 12.1678 12.1678 13.0973 13.0973 k = 0.2281 0.5000 0.2281 ( 1988 PWs) bands (ev): -26.4062 -26.4062 -9.2684 -9.2684 -8.1833 -8.1833 -8.0787 -8.0787 1.2261 1.2261 1.2745 1.2745 2.9643 2.9643 3.0497 3.0497 3.1312 3.1312 5.0921 5.0921 8.1293 8.1293 10.0349 10.0349 12.0917 12.0917 12.1387 12.1387 13.1587 13.1587 k = 0.2193 0.5000 0.2193 ( 1990 PWs) bands (ev): -26.4070 -26.4070 -9.2662 -9.2662 -8.1824 -8.1824 -8.0727 -8.0727 1.2249 1.2249 1.2739 1.2739 2.9672 2.9672 3.0453 3.0453 3.1255 3.1255 5.0604 5.0604 8.0646 8.0646 10.1155 10.1155 12.0196 12.0196 12.1604 12.1604 13.2267 13.2267 k = 0.2105 0.5000 0.2105 ( 1982 PWs) bands (ev): -26.4077 -26.4077 -9.2640 -9.2640 -8.1816 -8.1816 -8.0668 -8.0668 1.2238 1.2238 1.2733 1.2733 2.9699 2.9699 3.0417 3.0417 3.1199 3.1199 5.0311 5.0311 7.9975 7.9975 10.1967 10.1967 11.9494 11.9494 12.1696 12.1696 13.3004 13.3004 k = 0.2018 0.5000 0.2018 ( 1978 PWs) bands (ev): -26.4084 -26.4084 -9.2619 -9.2619 -8.1807 -8.1807 -8.0610 -8.0610 1.2229 1.2229 1.2729 1.2729 2.9722 2.9722 3.0392 3.0392 3.1146 3.1146 5.0038 5.0038 7.9287 7.9287 10.2783 10.2783 11.8813 11.8813 12.1677 12.1677 13.3791 13.3791 k = 0.1930 0.5000 0.1930 ( 1982 PWs) bands (ev): -26.4091 -26.4091 -9.2599 -9.2599 -8.1799 -8.1799 -8.0552 -8.0552 1.2221 1.2221 1.2726 1.2726 2.9740 2.9740 3.0377 3.0377 3.1095 3.1095 4.9787 4.9787 7.8588 7.8588 10.3598 10.3598 11.8157 11.8157 12.1569 12.1569 13.4617 13.4617 k = 0.1842 0.5000 0.1842 ( 1982 PWs) bands (ev): -26.4098 -26.4098 -9.2580 -9.2580 -8.1791 -8.1791 -8.0496 -8.0496 1.2215 1.2215 1.2724 1.2724 2.9752 2.9752 3.0374 3.0374 3.1047 3.1047 4.9555 4.9555 7.7883 7.7883 10.4411 10.4411 11.7524 11.7524 12.1389 12.1389 13.5475 13.5475 k = 0.1754 0.5000 0.1754 ( 1982 PWs) bands (ev): -26.4104 -26.4104 -9.2561 -9.2561 -8.1783 -8.1783 -8.0441 -8.0441 1.2210 1.2210 1.2724 1.2724 2.9759 2.9759 3.0380 3.0380 3.1003 3.1003 4.9343 4.9343 7.7178 7.7178 10.5217 10.5217 11.6917 11.6917 12.1155 12.1155 13.6355 13.6355 k = 0.1667 0.5000 0.1667 ( 1974 PWs) bands (ev): -26.4111 -26.4111 -9.2544 -9.2544 -8.1775 -8.1775 -8.0388 -8.0388 1.2205 1.2205 1.2725 1.2725 2.9761 2.9761 3.0395 3.0395 3.0963 3.0963 4.9149 4.9149 7.6477 7.6477 10.6014 10.6014 11.6334 11.6334 12.0881 12.0881 13.7247 13.7247 k = 0.1579 0.5000 0.1579 ( 1974 PWs) bands (ev): -26.4117 -26.4117 -9.2527 -9.2527 -8.1767 -8.1767 -8.0336 -8.0336 1.2202 1.2202 1.2728 1.2728 2.9759 2.9759 3.0417 3.0417 3.0930 3.0930 4.8972 4.8972 7.5786 7.5786 10.6797 10.6797 11.5778 11.5778 12.0580 12.0580 13.8140 13.8140 k = 0.1491 0.5000 0.1491 ( 1982 PWs) bands (ev): -26.4123 -26.4123 -9.2511 -9.2511 -8.1760 -8.1760 -8.0286 -8.0286 1.2198 1.2198 1.2732 1.2732 2.9755 2.9755 3.0440 3.0440 3.0903 3.0903 4.8811 4.8811 7.5107 7.5107 10.7563 10.7563 11.5248 11.5248 12.0261 12.0261 13.9026 13.9026 k = 0.1404 0.5000 0.1404 ( 1982 PWs) bands (ev): -26.4129 -26.4129 -9.2496 -9.2496 -8.1753 -8.1753 -8.0238 -8.0238 1.2196 1.2196 1.2737 1.2737 2.9748 2.9748 3.0463 3.0463 3.0886 3.0886 4.8666 4.8666 7.4447 7.4447 10.8308 10.8308 11.4745 11.4745 11.9936 11.9936 13.9895 13.9895 k = 0.1316 0.5000 0.1316 ( 1986 PWs) bands (ev): -26.4134 -26.4134 -9.2481 -9.2481 -8.1746 -8.1746 -8.0192 -8.0192 1.2193 1.2193 1.2743 1.2743 2.9742 2.9742 3.0480 3.0480 3.0881 3.0881 4.8535 4.8535 7.3807 7.3807 10.9026 10.9026 11.4269 11.4269 11.9612 11.9612 14.0737 14.0737 k = 0.1228 0.5000 0.1228 ( 1994 PWs) bands (ev): -26.4140 -26.4140 -9.2468 -9.2468 -8.1739 -8.1739 -8.0148 -8.0148 1.2190 1.2190 1.2750 1.2750 2.9735 2.9735 3.0491 3.0491 3.0888 3.0888 4.8418 4.8418 7.3192 7.3192 10.9713 10.9713 11.3822 11.3822 11.9296 11.9296 14.1544 14.1544 k = 0.1140 0.5000 0.1140 ( 1986 PWs) bands (ev): -26.4145 -26.4145 -9.2456 -9.2456 -8.1733 -8.1733 -8.0106 -8.0106 1.2188 1.2188 1.2759 1.2759 2.9728 2.9728 3.0493 3.0493 3.0908 3.0908 4.8313 4.8313 7.2604 7.2604 11.0364 11.0364 11.3403 11.3403 11.8997 11.8997 14.2307 14.2307 k = 0.1053 0.5000 0.1053 ( 1986 PWs) bands (ev): -26.4149 -26.4149 -9.2444 -9.2444 -8.1728 -8.1728 -8.0067 -8.0067 1.2186 1.2186 1.2768 1.2768 2.9723 2.9723 3.0488 3.0488 3.0938 3.0938 4.8220 4.8220 7.2048 7.2048 11.0971 11.0971 11.3013 11.3013 11.8720 11.8720 14.3020 14.3020 k = 0.0965 0.5000 0.0965 ( 1986 PWs) bands (ev): -26.4154 -26.4154 -9.2434 -9.2434 -8.1722 -8.1722 -8.0031 -8.0031 1.2183 1.2183 1.2777 1.2777 2.9718 2.9718 3.0478 3.0478 3.0975 3.0975 4.8138 4.8138 7.1525 7.1525 11.1530 11.1530 11.2653 11.2653 11.8472 11.8472 14.3677 14.3677 k = 0.0877 0.5000 0.0877 ( 1980 PWs) bands (ev): -26.4158 -26.4158 -9.2424 -9.2424 -8.1717 -8.1717 -7.9998 -7.9998 1.2181 1.2181 1.2786 1.2786 2.9714 2.9714 3.0466 3.0466 3.1015 3.1015 4.8067 4.8067 7.1038 7.1038 11.2032 11.2032 11.2323 11.2323 11.8260 11.8260 14.4274 14.4274 k = 0.0789 0.5000 0.0789 ( 1984 PWs) bands (ev): -26.4161 -26.4161 -9.2416 -9.2416 -8.1712 -8.1712 -7.9967 -7.9967 1.2179 1.2179 1.2796 1.2796 2.9711 2.9711 3.0452 3.0452 3.1057 3.1057 4.8004 4.8004 7.0590 7.0590 11.2021 11.2021 11.2473 11.2473 11.8088 11.8088 14.4808 14.4808 k = 0.0702 0.5000 0.0702 ( 1990 PWs) bands (ev): -26.4165 -26.4165 -9.2408 -9.2408 -8.1708 -8.1708 -7.9940 -7.9940 1.2177 1.2177 1.2805 1.2805 2.9709 2.9709 3.0439 3.0439 3.1099 3.1099 4.7951 4.7951 7.0183 7.0183 11.1752 11.1752 11.2846 11.2846 11.7961 11.7961 14.5279 14.5279 k = 0.0614 0.5000 0.0614 ( 1986 PWs) bands (ev): -26.4168 -26.4168 -9.2402 -9.2402 -8.1705 -8.1705 -7.9915 -7.9915 1.2175 1.2175 1.2814 1.2814 2.9707 2.9707 3.0426 3.0426 3.1138 3.1138 4.7905 4.7905 6.9819 6.9819 11.1513 11.1513 11.3150 11.3150 11.7880 11.7880 14.5686 14.5686 k = 0.0526 0.5000 0.0526 ( 1986 PWs) bands (ev): -26.4170 -26.4170 -9.2396 -9.2396 -8.1701 -8.1701 -7.9893 -7.9893 1.2173 1.2173 1.2822 1.2822 2.9706 2.9706 3.0415 3.0415 3.1174 3.1174 4.7867 4.7867 6.9499 6.9499 11.1305 11.1305 11.3386 11.3386 11.7842 11.7842 14.6032 14.6032 k = 0.0439 0.5000 0.0439 ( 1988 PWs) bands (ev): -26.4172 -26.4172 -9.2391 -9.2391 -8.1698 -8.1698 -7.9875 -7.9875 1.2171 1.2171 1.2829 1.2829 2.9705 2.9705 3.0405 3.0405 3.1206 3.1206 4.7836 4.7836 6.9226 6.9226 11.1129 11.1129 11.3560 11.3560 11.7838 11.7838 14.6318 14.6318 k = 0.0351 0.5000 0.0351 ( 1992 PWs) bands (ev): -26.4174 -26.4174 -9.2387 -9.2387 -8.1696 -8.1696 -7.9860 -7.9860 1.2170 1.2170 1.2835 1.2835 2.9705 2.9705 3.0397 3.0397 3.1234 3.1234 4.7811 4.7811 6.9001 6.9001 11.0985 11.0985 11.3680 11.3680 11.7860 11.7860 14.6547 14.6547 k = 0.0263 0.5000 0.0263 ( 1992 PWs) bands (ev): -26.4176 -26.4176 -9.2384 -9.2384 -8.1694 -8.1694 -7.9848 -7.9848 1.2169 1.2169 1.2840 1.2840 2.9705 2.9705 3.0390 3.0390 3.1256 3.1256 4.7792 4.7792 6.8824 6.8824 11.0872 11.0872 11.3759 11.3759 11.7892 11.7892 14.6722 14.6722 k = 0.0175 0.5000 0.0175 ( 1984 PWs) bands (ev): -26.4177 -26.4177 -9.2382 -9.2382 -8.1693 -8.1693 -7.9840 -7.9840 1.2168 1.2168 1.2844 1.2844 2.9705 2.9705 3.0385 3.0385 3.1272 3.1272 4.7778 4.7778 6.8697 6.8697 11.0792 11.0792 11.3807 11.3807 11.7925 11.7925 14.6845 14.6845 k = 0.0088 0.5000 0.0088 ( 1984 PWs) bands (ev): -26.4177 -26.4177 -9.2380 -9.2380 -8.1692 -8.1692 -7.9835 -7.9835 1.2168 1.2168 1.2846 1.2846 2.9705 2.9705 3.0382 3.0382 3.1281 3.1281 4.7770 4.7770 6.8621 6.8621 11.0744 11.0744 11.3832 11.3832 11.7949 11.7949 14.6918 14.6918 k = 0.0000 0.5000-0.0000 ( 1984 PWs) bands (ev): -26.4177 -26.4177 -9.2380 -9.2380 -8.1692 -8.1692 -7.9833 -7.9833 1.2167 1.2167 1.2847 1.2847 2.9705 2.9705 3.0382 3.0382 3.1285 3.1285 4.7768 4.7768 6.8595 6.8595 11.0728 11.0728 11.3840 11.3840 11.7958 11.7958 14.6942 14.6942 k = 0.5000 0.5000-0.0000 ( 2000 PWs) bands (ev): -26.4044 -26.4044 -9.2782 -9.2782 -8.2284 -8.2284 -8.0336 -8.0336 1.1895 1.1895 1.2369 1.2369 2.9012 2.9012 2.9059 2.9059 3.2270 3.2270 5.2204 5.2204 9.0794 9.0794 9.5700 9.5700 10.9508 10.9508 13.5816 13.5816 13.6231 13.6231 k = 0.5000 0.5000 0.0125 ( 2000 PWs) bands (ev): -26.4044 -26.4044 -9.2782 -9.2782 -8.2284 -8.2284 -8.0338 -8.0338 1.1897 1.1897 1.2370 1.2370 2.9018 2.9018 2.9059 2.9059 3.2271 3.2271 5.2215 5.2215 9.0778 9.0778 9.5684 9.5684 10.9539 10.9539 13.5831 13.5831 13.6246 13.6246 k = 0.5000 0.5000 0.0250 ( 2000 PWs) bands (ev): -26.4043 -26.4043 -9.2784 -9.2784 -8.2283 -8.2283 -8.0347 -8.0347 1.1903 1.1903 1.2373 1.2373 2.9034 2.9034 2.9061 2.9061 3.2272 3.2272 5.2247 5.2247 9.0731 9.0731 9.5637 9.5637 10.9631 10.9631 13.5878 13.5878 13.6289 13.6289 k = 0.5000 0.5000 0.0375 ( 1996 PWs) bands (ev): -26.4042 -26.4042 -9.2786 -9.2786 -8.2281 -8.2281 -8.0361 -8.0361 1.1914 1.1914 1.2379 1.2379 2.9061 2.9061 2.9065 2.9065 3.2273 3.2273 5.2302 5.2302 9.0653 9.0653 9.5558 9.5558 10.9785 10.9785 13.5955 13.5955 13.6362 13.6362 k = 0.5000 0.5000 0.0500 ( 2000 PWs) bands (ev): -26.4041 -26.4041 -9.2790 -9.2790 -8.2278 -8.2278 -8.0381 -8.0381 1.1928 1.1928 1.2387 1.2387 2.9070 2.9070 2.9099 2.9099 3.2276 3.2276 5.2379 5.2379 9.0546 9.0546 9.5450 9.5450 10.9999 10.9999 13.6063 13.6063 13.6462 13.6462 k = 0.5000 0.5000 0.0625 ( 2000 PWs) bands (ev): -26.4039 -26.4039 -9.2795 -9.2795 -8.2274 -8.2274 -8.0406 -8.0406 1.1947 1.1947 1.2397 1.2397 2.9076 2.9076 2.9148 2.9148 3.2279 3.2279 5.2478 5.2478 9.0409 9.0409 9.5312 9.5312 11.0275 11.0275 13.6200 13.6200 13.6590 13.6590 k = 0.5000 0.5000 0.0750 ( 2008 PWs) bands (ev): -26.4037 -26.4037 -9.2801 -9.2801 -8.2270 -8.2270 -8.0436 -8.0436 1.1969 1.1969 1.2410 1.2410 2.9083 2.9083 2.9206 2.9206 3.2282 3.2282 5.2599 5.2599 9.0244 9.0244 9.5146 9.5146 11.0611 11.0611 13.6365 13.6365 13.6745 13.6745 k = 0.5000 0.5000 0.0875 ( 2000 PWs) bands (ev): -26.4034 -26.4034 -9.2808 -9.2808 -8.2265 -8.2265 -8.0471 -8.0471 1.1995 1.1995 1.2424 1.2424 2.9091 2.9091 2.9275 2.9275 3.2287 3.2287 5.2744 5.2744 9.0053 9.0053 9.4954 9.4954 11.1008 11.1008 13.6557 13.6557 13.6927 13.6927 k = 0.5000 0.5000 0.1000 ( 2000 PWs) bands (ev): -26.4031 -26.4031 -9.2816 -9.2816 -8.2260 -8.2260 -8.0511 -8.0511 1.2024 1.2024 1.2440 1.2440 2.9100 2.9100 2.9353 2.9353 3.2292 3.2292 5.2912 5.2912 8.9838 8.9838 9.4737 9.4737 11.1465 11.1465 13.6755 13.6755 13.7134 13.7134 k = 0.5000 0.5000 0.1125 ( 2000 PWs) bands (ev): -26.4028 -26.4028 -9.2825 -9.2825 -8.2253 -8.2253 -8.0555 -8.0555 1.2056 1.2056 1.2458 1.2458 2.9111 2.9111 2.9440 2.9440 3.2298 3.2298 5.3105 5.3105 8.9600 8.9600 9.4498 9.4498 11.1982 11.1982 13.5497 13.5497 13.7057 13.7057 k = 0.5000 0.5000 0.1250 ( 2000 PWs) bands (ev): -26.4024 -26.4024 -9.2836 -9.2836 -8.2247 -8.2247 -8.0604 -8.0604 1.2091 1.2091 1.2477 1.2477 2.9122 2.9122 2.9536 2.9536 3.2305 3.2305 5.3321 5.3321 8.9341 8.9341 9.4239 9.4239 11.2559 11.2559 13.3392 13.3392 13.7319 13.7319 k = 0.5000 0.5000 0.1375 ( 2000 PWs) bands (ev): -26.4021 -26.4021 -9.2847 -9.2847 -8.2239 -8.2239 -8.0655 -8.0655 1.2128 1.2128 1.2498 1.2498 2.9133 2.9133 2.9639 2.9639 3.2312 3.2312 5.3563 5.3563 8.9063 8.9063 9.3961 9.3961 11.3194 11.3194 13.1283 13.1283 13.7614 13.7614 k = 0.5000 0.5000 0.1500 ( 2008 PWs) bands (ev): -26.4016 -26.4016 -9.2859 -9.2859 -8.2231 -8.2231 -8.0711 -8.0711 1.2168 1.2168 1.2520 1.2520 2.9145 2.9145 2.9751 2.9751 3.2320 3.2320 5.3831 5.3831 8.8769 8.8769 9.3667 9.3667 11.3888 11.3888 12.9179 12.9179 13.7933 13.7933 k = 0.5000 0.5000 0.1625 ( 2008 PWs) bands (ev): -26.4012 -26.4012 -9.2871 -9.2871 -8.2223 -8.2223 -8.0769 -8.0769 1.2209 1.2209 1.2543 1.2543 2.9158 2.9158 2.9869 2.9869 3.2329 3.2329 5.4125 5.4125 8.8460 8.8460 9.3360 9.3360 11.4639 11.4639 12.7085 12.7085 13.8273 13.8273 k = 0.5000 0.5000 0.1750 ( 2008 PWs) bands (ev): -26.4007 -26.4007 -9.2885 -9.2885 -8.2214 -8.2214 -8.0830 -8.0830 1.2251 1.2251 1.2567 1.2567 2.9171 2.9171 2.9993 2.9993 3.2339 3.2339 5.4446 5.4446 8.8140 8.8140 9.3041 9.3041 11.5448 11.5448 12.5005 12.5005 13.8633 13.8633 k = 0.5000 0.5000 0.1875 ( 2008 PWs) bands (ev): -26.4003 -26.4003 -9.2899 -9.2899 -8.2205 -8.2205 -8.0892 -8.0892 1.2295 1.2295 1.2591 1.2591 2.9184 2.9184 3.0123 3.0123 3.2349 3.2349 5.4795 5.4795 8.7809 8.7809 9.2713 9.2713 11.6313 11.6313 12.2939 12.2939 13.9011 13.9011 k = 0.5000 0.5000 0.2000 ( 2008 PWs) bands (ev): -26.3998 -26.3998 -9.2914 -9.2914 -8.2195 -8.2195 -8.0957 -8.0957 1.2340 1.2340 1.2617 1.2617 2.9197 2.9197 3.0256 3.0256 3.2360 3.2360 5.5173 5.5173 8.7471 8.7471 9.2379 9.2379 11.7233 11.7233 12.0892 12.0892 13.9406 13.9406 k = 0.5000 0.5000 0.2125 ( 2008 PWs) bands (ev): -26.3993 -26.3993 -9.2930 -9.2930 -8.2186 -8.2186 -8.1022 -8.1022 1.2384 1.2384 1.2642 1.2642 2.9210 2.9210 3.0394 3.0394 3.2372 3.2372 5.5580 5.5580 8.7128 8.7128 9.2040 9.2040 11.8208 11.8208 11.8865 11.8865 13.9814 13.9815 k = 0.5000 0.5000 0.2250 ( 2000 PWs) bands (ev): -26.3988 -26.3988 -9.2946 -9.2946 -8.2176 -8.2176 -8.1088 -8.1088 1.2429 1.2429 1.2668 1.2668 2.9223 2.9223 3.0534 3.0534 3.2384 3.2384 5.6016 5.6016 8.6780 8.6780 9.1699 9.1699 11.6861 11.6861 11.9237 11.9237 14.0236 14.0237 k = 0.5000 0.5000 0.2375 ( 1996 PWs) bands (ev): -26.3982 -26.3982 -9.2963 -9.2963 -8.2166 -8.2166 -8.1155 -8.1155 1.2474 1.2474 1.2694 1.2694 2.9235 2.9235 3.0676 3.0676 3.2396 3.2396 5.6483 5.6483 8.6431 8.6431 9.1358 9.1358 11.4881 11.4881 12.0318 12.0318 14.0668 14.0669 k = 0.5000 0.5000 0.2500 ( 1996 PWs) bands (ev): -26.3977 -26.3977 -9.2980 -9.2980 -8.2155 -8.2155 -8.1222 -8.1222 1.2518 1.2518 1.2719 1.2719 2.9248 2.9248 3.0819 3.0819 3.2410 3.2410 5.6980 5.6980 8.6082 8.6082 9.1020 9.1020 11.2928 11.2928 12.1450 12.1450 14.1109 14.1110 k = 0.5000 0.5000 0.2625 ( 1996 PWs) bands (ev): -26.3972 -26.3972 -9.2998 -9.2998 -8.2145 -8.2145 -8.1288 -8.1288 1.2562 1.2562 1.2745 1.2745 2.9259 2.9259 3.0962 3.0962 3.2423 3.2423 5.7509 5.7509 8.5736 8.5736 9.0685 9.0685 11.1005 11.1005 12.2632 12.2632 14.1554 14.1555 k = 0.5000 0.5000 0.2750 ( 1996 PWs) bands (ev): -26.3967 -26.3967 -9.3015 -9.3015 -8.2135 -8.2135 -8.1353 -8.1353 1.2605 1.2605 1.2770 1.2770 2.9271 2.9271 3.1103 3.1103 3.2437 3.2437 5.8068 5.8068 8.5392 8.5392 9.0356 9.0356 10.9112 10.9112 12.3862 12.3862 14.1939 14.1939 k = 0.5000 0.5000 0.2875 ( 1980 PWs) bands (ev): -26.3961 -26.3961 -9.3033 -9.3033 -8.2125 -8.2125 -8.1417 -8.1417 1.2646 1.2646 1.2794 1.2794 2.9282 2.9282 3.1243 3.1243 3.2450 3.2450 5.8659 5.8659 8.5053 8.5053 9.0035 9.0035 10.7254 10.7254 12.5138 12.5138 14.2352 14.2458 k = 0.5000 0.5000 0.3000 ( 1980 PWs) bands (ev): -26.3956 -26.3956 -9.3050 -9.3050 -8.2116 -8.2116 -8.1479 -8.1479 1.2686 1.2686 1.2818 1.2818 2.9292 2.9292 3.1380 3.1380 3.2464 3.2464 5.9281 5.9281 8.4720 8.4720 8.9723 8.9723 10.5432 10.5432 12.6459 12.6459 14.2761 14.2761 k = 0.5000 0.5000 0.3125 ( 1980 PWs) bands (ev): -26.3951 -26.3951 -9.3068 -9.3068 -8.2106 -8.2106 -8.1539 -8.1539 1.2724 1.2724 1.2841 1.2841 2.9302 2.9302 3.1512 3.1512 3.2478 3.2478 5.9933 5.9933 8.4394 8.4394 8.9422 8.9422 10.3650 10.3650 12.7821 12.7821 14.3166 14.3166 k = 0.5000 0.5000 0.3250 ( 1964 PWs) bands (ev): -26.3947 -26.3947 -9.3085 -9.3085 -8.2097 -8.2097 -8.1597 -8.1597 1.2761 1.2761 1.2863 1.2863 2.9311 2.9311 3.1641 3.1641 3.2492 3.2492 6.0614 6.0614 8.4075 8.4075 8.9134 8.9134 10.1912 10.1912 12.9223 12.9223 14.3564 14.3565 k = 0.5000 0.5000 0.3375 ( 1964 PWs) bands (ev): -26.3942 -26.3942 -9.3101 -9.3101 -8.2088 -8.2088 -8.1652 -8.1652 1.2796 1.2796 1.2883 1.2883 2.9319 2.9319 3.1763 3.1763 3.2505 3.2505 6.1323 6.1323 8.3763 8.3763 8.8860 8.8860 10.0221 10.0221 13.0661 13.0661 14.3952 14.3952 k = 0.5000 0.5000 0.3500 ( 1964 PWs) bands (ev): -26.3938 -26.3938 -9.3117 -9.3117 -8.2079 -8.2079 -8.1705 -8.1705 1.2828 1.2828 1.2903 1.2903 2.9327 2.9327 3.1880 3.1880 3.2518 3.2518 6.2058 6.2058 8.3458 8.3458 8.8600 8.8600 9.8582 9.8582 13.2131 13.2131 14.4328 14.4328 k = 0.5000 0.5000 0.3625 ( 1964 PWs) bands (ev): -26.3934 -26.3934 -9.3132 -9.3132 -8.2072 -8.2072 -8.1754 -8.1754 1.2858 1.2858 1.2922 1.2922 2.9334 2.9334 3.1989 3.1989 3.2530 3.2530 6.2816 6.2816 8.3160 8.3160 8.8358 8.8358 9.7003 9.7003 13.3629 13.3629 14.4688 14.4688 k = 0.5000 0.5000 0.3750 ( 1956 PWs) bands (ev): -26.3930 -26.3930 -9.3147 -9.3147 -8.2064 -8.2064 -8.1799 -8.1799 1.2886 1.2886 1.2939 1.2939 2.9340 2.9340 3.2092 3.2092 3.2542 3.2542 6.3593 6.3593 8.2866 8.2866 8.8133 8.8133 9.5490 9.5490 13.5147 13.5147 14.5031 14.5031 k = 0.5000 0.5000 0.3875 ( 1956 PWs) bands (ev): -26.3926 -26.3926 -9.3160 -9.3160 -8.2057 -8.2057 -8.1841 -8.1841 1.2912 1.2912 1.2954 1.2954 2.9346 2.9346 3.2186 3.2186 3.2553 3.2553 6.4384 6.4384 8.2574 8.2574 8.7926 8.7926 9.4053 9.4053 13.6680 13.6680 14.5352 14.5352 k = 0.5000 0.5000 0.4000 ( 1956 PWs) bands (ev): -26.3923 -26.3923 -9.3173 -9.3173 -8.2051 -8.2051 -8.1879 -8.1879 1.2935 1.2935 1.2968 1.2968 2.9351 2.9351 3.2271 3.2271 3.2563 3.2563 6.5182 6.5182 8.2281 8.2281 8.7739 8.7739 9.2703 9.2703 13.8217 13.8217 14.5651 14.5651 k = 0.5000 0.5000 0.4125 ( 1956 PWs) bands (ev): -26.3920 -26.3920 -9.3184 -9.3184 -8.2045 -8.2045 -8.1913 -8.1913 1.2955 1.2955 1.2981 1.2981 2.9356 2.9356 3.2347 3.2347 3.2572 3.2572 6.5977 6.5977 8.1985 8.1985 8.7571 8.7571 9.1457 9.1457 13.9743 13.9743 14.5924 14.5924 k = 0.5000 0.5000 0.4250 ( 1960 PWs) bands (ev): -26.3917 -26.3917 -9.3194 -9.3194 -8.2040 -8.2040 -8.1942 -8.1942 1.2973 1.2973 1.2992 1.2992 2.9360 2.9360 3.2414 3.2414 3.2580 3.2580 6.6757 6.6757 8.1680 8.1680 8.7425 8.7425 9.0330 9.0330 14.1240 14.1240 14.6170 14.6170 k = 0.5000 0.5000 0.4375 ( 1960 PWs) bands (ev): -26.3915 -26.3915 -9.3203 -9.3203 -8.2036 -8.2036 -8.1968 -8.1968 1.2988 1.2988 1.3001 1.3001 2.9363 2.9363 3.2472 3.2472 3.2587 3.2587 6.7503 6.7503 8.1368 8.1368 8.7300 8.7300 8.9343 8.9343 14.2679 14.2679 14.6390 14.6390 k = 0.5000 0.5000 0.4500 ( 1960 PWs) bands (ev): -26.3913 -26.3913 -9.3210 -9.3210 -8.2032 -8.2032 -8.1989 -8.1989 1.3001 1.3001 1.3009 1.3009 2.9366 2.9366 3.2519 3.2519 3.2593 3.2593 6.8192 6.8192 8.1054 8.1054 8.7198 8.7198 8.8514 8.8514 14.4014 14.4014 14.6588 14.6588 k = 0.5000 0.5000 0.4625 ( 1960 PWs) bands (ev): -26.3912 -26.3912 -9.3215 -9.3215 -8.2030 -8.2030 -8.2005 -8.2005 1.3011 1.3011 1.3015 1.3015 2.9368 2.9368 3.2556 3.2556 3.2598 3.2598 6.8793 6.8793 8.0755 8.0755 8.7117 8.7117 8.7859 8.7859 14.5170 14.5170 14.6783 14.6783 k = 0.5000 0.5000 0.4750 ( 1968 PWs) bands (ev): -26.3911 -26.3911 -9.3219 -9.3219 -8.2028 -8.2028 -8.2017 -8.2017 1.3018 1.3018 1.3020 1.3020 2.9369 2.9369 3.2582 3.2582 3.2601 3.2601 6.9266 6.9266 8.0498 8.0498 8.7060 8.7060 8.7389 8.7389 14.6011 14.6011 14.7028 14.7028 k = 0.5000 0.5000 0.4875 ( 1984 PWs) bands (ev): -26.3910 -26.3910 -9.3222 -9.3222 -8.2027 -8.2027 -8.2024 -8.2024 1.3022 1.3022 1.3022 1.3022 2.9370 2.9370 3.2598 3.2598 3.2603 3.2603 6.9573 6.9573 8.0321 8.0321 8.7025 8.7025 8.7107 8.7107 14.6410 14.6410 14.7347 14.7347 k = 0.5000 0.5000 0.5000 ( 2008 PWs) bands (ev): -26.3910 -26.3910 -9.3223 -9.3223 -8.2026 -8.2026 -8.2026 -8.2026 1.3023 1.3023 1.3023 1.3023 2.9370 2.9370 3.2604 3.2604 3.2604 3.2604 6.9680 6.9680 8.0257 8.0257 8.7013 8.7013 8.7013 8.7013 14.6505 14.6505 14.7504 14.7504 Writing output data file SrHg.save init_run : 0.20s CPU 0.38s WALL ( 1 calls) electrons : 53.10s CPU 54.38s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.10s WALL ( 1 calls) Called by electrons: c_bands : 53.09s CPU 54.38s 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 : 0.05s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.02s WALL ( 309 calls) cegterg : 50.20s CPU 51.13s WALL ( 509 calls) Called by sum_band: Called by *egterg: h_psi : 20.56s CPU 21.21s WALL ( 8588 calls) s_psi : 1.20s CPU 1.25s WALL ( 8588 calls) g_psi : 0.08s CPU 0.08s WALL ( 7770 calls) cdiaghg : 25.77s CPU 26.12s WALL ( 8079 calls) cegterg:over : 1.75s CPU 1.81s WALL ( 7770 calls) cegterg:upda : 1.20s CPU 1.29s WALL ( 7770 calls) cegterg:last : 0.83s CPU 0.75s WALL ( 1433 calls) cdiaghg:chol : 1.36s CPU 1.32s WALL ( 8079 calls) cdiaghg:inve : 0.54s CPU 0.53s WALL ( 8079 calls) cdiaghg:para : 1.61s CPU 1.62s WALL ( 16158 calls) Called by h_psi: h_psi:vloc : 17.86s CPU 18.39s WALL ( 8588 calls) h_psi:vnl : 2.66s CPU 2.77s WALL ( 8588 calls) add_vuspsi : 1.55s CPU 1.60s WALL ( 8588 calls) General routines calbec : 1.08s CPU 1.16s WALL ( 8588 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 16.22s CPU 16.55s WALL ( 511992 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.07s CPU 0.09s WALL ( 618 calls) Parallel routines fft_scatter : 10.12s CPU 10.26s WALL ( 512015 calls) PWSCF : 1m 0.63s CPU 1m 8.21s WALL This run was terminated on: 19:46:17 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=