Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 13:27:52 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: ./LiAu3.save/ file Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 52 51 14 1734 1655 250 Max 53 52 15 1739 1670 255 Sum 1901 1861 517 62525 59813 9093 bravais-lattice index = 14 lattice parameter (alat) = 7.5079 a.u. unit-cell volume = 423.2064 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 424.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.507881 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 Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Au read from file: /users/gautes/Pseudo/Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d39daeb1f194fdf5670f47ad6d8ea3dd Pseudo is Ultrasoft + core correction, Zval = 11.0 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 atomic species valence mass pseudopotential Li 3.00 6.94100 Li( 1.00) Au 11.00 196.96660 Au( 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= 307 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 2) = ( 0.0000000 0.0125000 -0.0000000), wk = 0.0032573 k( 3) = ( 0.0000000 0.0250000 -0.0000000), wk = 0.0032573 k( 4) = ( 0.0000000 0.0375000 -0.0000000), wk = 0.0032573 k( 5) = ( 0.0000000 0.0500000 -0.0000000), wk = 0.0032573 k( 6) = ( 0.0000000 0.0625000 -0.0000000), wk = 0.0032573 k( 7) = ( 0.0000000 0.0750000 -0.0000000), wk = 0.0032573 k( 8) = ( 0.0000000 0.0875000 -0.0000000), wk = 0.0032573 k( 9) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0032573 k( 10) = ( 0.0000000 0.1125000 -0.0000000), wk = 0.0032573 k( 11) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0032573 k( 12) = ( 0.0000000 0.1375000 -0.0000000), wk = 0.0032573 k( 13) = ( 0.0000000 0.1500000 -0.0000000), wk = 0.0032573 k( 14) = ( 0.0000000 0.1625000 -0.0000000), wk = 0.0032573 k( 15) = ( 0.0000000 0.1750000 -0.0000000), wk = 0.0032573 k( 16) = ( 0.0000000 0.1875000 -0.0000000), wk = 0.0032573 k( 17) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0032573 k( 18) = ( 0.0000000 0.2125000 -0.0000000), wk = 0.0032573 k( 19) = ( 0.0000000 0.2250000 -0.0000000), wk = 0.0032573 k( 20) = ( 0.0000000 0.2375000 -0.0000000), wk = 0.0032573 k( 21) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0032573 k( 22) = ( 0.0000000 0.2625000 -0.0000000), wk = 0.0032573 k( 23) = ( 0.0000000 0.2750000 -0.0000000), wk = 0.0032573 k( 24) = ( 0.0000000 0.2875000 -0.0000000), wk = 0.0032573 k( 25) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0032573 k( 26) = ( 0.0000000 0.3125000 -0.0000000), wk = 0.0032573 k( 27) = ( 0.0000000 0.3250000 -0.0000000), wk = 0.0032573 k( 28) = ( 0.0000000 0.3375000 -0.0000000), wk = 0.0032573 k( 29) = ( 0.0000000 0.3500000 -0.0000000), wk = 0.0032573 k( 30) = ( 0.0000000 0.3625000 -0.0000000), wk = 0.0032573 k( 31) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0032573 k( 32) = ( 0.0000000 0.3875000 -0.0000000), wk = 0.0032573 k( 33) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0032573 k( 34) = ( 0.0000000 0.4125000 -0.0000000), wk = 0.0032573 k( 35) = ( 0.0000000 0.4250000 -0.0000000), wk = 0.0032573 k( 36) = ( 0.0000000 0.4375000 -0.0000000), wk = 0.0032573 k( 37) = ( 0.0000000 0.4500000 -0.0000000), wk = 0.0032573 k( 38) = ( 0.0000000 0.4625000 -0.0000000), wk = 0.0032573 k( 39) = ( 0.0000000 0.4750000 -0.0000000), wk = 0.0032573 k( 40) = ( 0.0000000 0.4875000 -0.0000000), wk = 0.0032573 k( 41) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032573 k( 42) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032573 k( 43) = ( 0.0125000 0.5000000 -0.0000000), wk = 0.0032573 k( 44) = ( 0.0250000 0.5000000 -0.0000000), wk = 0.0032573 k( 45) = ( 0.0375000 0.5000000 -0.0000000), wk = 0.0032573 k( 46) = ( 0.0500000 0.5000000 -0.0000000), wk = 0.0032573 k( 47) = ( 0.0625000 0.5000000 -0.0000000), wk = 0.0032573 k( 48) = ( 0.0750000 0.5000000 -0.0000000), wk = 0.0032573 k( 49) = ( 0.0875000 0.5000000 -0.0000000), wk = 0.0032573 k( 50) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0032573 k( 51) = ( 0.1125000 0.5000000 -0.0000000), wk = 0.0032573 k( 52) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0032573 k( 53) = ( 0.1375000 0.5000000 -0.0000000), wk = 0.0032573 k( 54) = ( 0.1500000 0.5000000 -0.0000000), wk = 0.0032573 k( 55) = ( 0.1625000 0.5000000 -0.0000000), wk = 0.0032573 k( 56) = ( 0.1750000 0.5000000 -0.0000000), wk = 0.0032573 k( 57) = ( 0.1875000 0.5000000 -0.0000000), wk = 0.0032573 k( 58) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0032573 k( 59) = ( 0.2125000 0.5000000 -0.0000000), wk = 0.0032573 k( 60) = ( 0.2250000 0.5000000 -0.0000000), wk = 0.0032573 k( 61) = ( 0.2375000 0.5000000 -0.0000000), wk = 0.0032573 k( 62) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0032573 k( 63) = ( 0.2625000 0.5000000 -0.0000000), wk = 0.0032573 k( 64) = ( 0.2750000 0.5000000 -0.0000000), wk = 0.0032573 k( 65) = ( 0.2875000 0.5000000 -0.0000000), wk = 0.0032573 k( 66) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0032573 k( 67) = ( 0.3125000 0.5000000 -0.0000000), wk = 0.0032573 k( 68) = ( 0.3250000 0.5000000 -0.0000000), wk = 0.0032573 k( 69) = ( 0.3375000 0.5000000 -0.0000000), wk = 0.0032573 k( 70) = ( 0.3500000 0.5000000 -0.0000000), wk = 0.0032573 k( 71) = ( 0.3625000 0.5000000 -0.0000000), wk = 0.0032573 k( 72) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0032573 k( 73) = ( 0.3875000 0.5000000 -0.0000000), wk = 0.0032573 k( 74) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0032573 k( 75) = ( 0.4125000 0.5000000 -0.0000000), wk = 0.0032573 k( 76) = ( 0.4250000 0.5000000 -0.0000000), wk = 0.0032573 k( 77) = ( 0.4375000 0.5000000 -0.0000000), wk = 0.0032573 k( 78) = ( 0.4500000 0.5000000 -0.0000000), wk = 0.0032573 k( 79) = ( 0.4625000 0.5000000 -0.0000000), wk = 0.0032573 k( 80) = ( 0.4750000 0.5000000 -0.0000000), wk = 0.0032573 k( 81) = ( 0.4875000 0.5000000 -0.0000000), wk = 0.0032573 k( 82) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032573 k( 83) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032573 k( 84) = ( 0.4910714 0.4910714 -0.0000000), wk = 0.0032573 k( 85) = ( 0.4821429 0.4821429 -0.0000000), wk = 0.0032573 k( 86) = ( 0.4732143 0.4732143 -0.0000000), wk = 0.0032573 k( 87) = ( 0.4642857 0.4642857 -0.0000000), wk = 0.0032573 k( 88) = ( 0.4553571 0.4553571 -0.0000000), wk = 0.0032573 k( 89) = ( 0.4464286 0.4464286 -0.0000000), wk = 0.0032573 k( 90) = ( 0.4375000 0.4375000 -0.0000000), wk = 0.0032573 k( 91) = ( 0.4285714 0.4285714 -0.0000000), wk = 0.0032573 k( 92) = ( 0.4196429 0.4196429 -0.0000000), wk = 0.0032573 k( 93) = ( 0.4107143 0.4107143 -0.0000000), wk = 0.0032573 k( 94) = ( 0.4017857 0.4017857 -0.0000000), wk = 0.0032573 k( 95) = ( 0.3928571 0.3928571 -0.0000000), wk = 0.0032573 k( 96) = ( 0.3839286 0.3839286 -0.0000000), wk = 0.0032573 k( 97) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0032573 k( 98) = ( 0.3660714 0.3660714 -0.0000000), wk = 0.0032573 k( 99) = ( 0.3571429 0.3571429 -0.0000000), wk = 0.0032573 k( 100) = ( 0.3482143 0.3482143 -0.0000000), wk = 0.0032573 k( 101) = ( 0.3392857 0.3392857 -0.0000000), wk = 0.0032573 k( 102) = ( 0.3303571 0.3303571 -0.0000000), wk = 0.0032573 k( 103) = ( 0.3214286 0.3214286 -0.0000000), wk = 0.0032573 k( 104) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0032573 k( 105) = ( 0.3035714 0.3035714 -0.0000000), wk = 0.0032573 k( 106) = ( 0.2946429 0.2946429 -0.0000000), wk = 0.0032573 k( 107) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0032573 k( 108) = ( 0.2767857 0.2767857 -0.0000000), wk = 0.0032573 k( 109) = ( 0.2678571 0.2678571 -0.0000000), wk = 0.0032573 k( 110) = ( 0.2589286 0.2589286 -0.0000000), wk = 0.0032573 k( 111) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0032573 k( 112) = ( 0.2410714 0.2410714 -0.0000000), wk = 0.0032573 k( 113) = ( 0.2321429 0.2321429 -0.0000000), wk = 0.0032573 k( 114) = ( 0.2232143 0.2232143 -0.0000000), wk = 0.0032573 k( 115) = ( 0.2142857 0.2142857 -0.0000000), wk = 0.0032573 k( 116) = ( 0.2053571 0.2053571 -0.0000000), wk = 0.0032573 k( 117) = ( 0.1964286 0.1964286 -0.0000000), wk = 0.0032573 k( 118) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0032573 k( 119) = ( 0.1785714 0.1785714 -0.0000000), wk = 0.0032573 k( 120) = ( 0.1696429 0.1696429 -0.0000000), wk = 0.0032573 k( 121) = ( 0.1607143 0.1607143 -0.0000000), wk = 0.0032573 k( 122) = ( 0.1517857 0.1517857 -0.0000000), wk = 0.0032573 k( 123) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0032573 k( 124) = ( 0.1339286 0.1339286 -0.0000000), wk = 0.0032573 k( 125) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0032573 k( 126) = ( 0.1160714 0.1160714 -0.0000000), wk = 0.0032573 k( 127) = ( 0.1071429 0.1071429 -0.0000000), wk = 0.0032573 k( 128) = ( 0.0982143 0.0982143 -0.0000000), wk = 0.0032573 k( 129) = ( 0.0892857 0.0892857 -0.0000000), wk = 0.0032573 k( 130) = ( 0.0803571 0.0803571 -0.0000000), wk = 0.0032573 k( 131) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0032573 k( 132) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0032573 k( 133) = ( 0.0535714 0.0535714 -0.0000000), wk = 0.0032573 k( 134) = ( 0.0446429 0.0446429 -0.0000000), wk = 0.0032573 k( 135) = ( 0.0357143 0.0357143 -0.0000000), wk = 0.0032573 k( 136) = ( 0.0267857 0.0267857 -0.0000000), wk = 0.0032573 k( 137) = ( 0.0178571 0.0178571 -0.0000000), wk = 0.0032573 k( 138) = ( 0.0089286 0.0089286 -0.0000000), wk = 0.0032573 k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 141) = ( 0.0072464 0.0072464 0.0072464), wk = 0.0032573 k( 142) = ( 0.0144928 0.0144927 0.0144927), wk = 0.0032573 k( 143) = ( 0.0217391 0.0217391 0.0217391), wk = 0.0032573 k( 144) = ( 0.0289855 0.0289855 0.0289855), wk = 0.0032573 k( 145) = ( 0.0362319 0.0362319 0.0362319), wk = 0.0032573 k( 146) = ( 0.0434783 0.0434783 0.0434783), wk = 0.0032573 k( 147) = ( 0.0507246 0.0507246 0.0507246), wk = 0.0032573 k( 148) = ( 0.0579710 0.0579710 0.0579710), wk = 0.0032573 k( 149) = ( 0.0652174 0.0652174 0.0652174), wk = 0.0032573 k( 150) = ( 0.0724638 0.0724638 0.0724638), wk = 0.0032573 k( 151) = ( 0.0797101 0.0797101 0.0797101), wk = 0.0032573 k( 152) = ( 0.0869565 0.0869565 0.0869565), wk = 0.0032573 k( 153) = ( 0.0942029 0.0942029 0.0942029), wk = 0.0032573 k( 154) = ( 0.1014493 0.1014493 0.1014493), wk = 0.0032573 k( 155) = ( 0.1086957 0.1086956 0.1086956), wk = 0.0032573 k( 156) = ( 0.1159420 0.1159420 0.1159420), wk = 0.0032573 k( 157) = ( 0.1231884 0.1231884 0.1231884), wk = 0.0032573 k( 158) = ( 0.1304348 0.1304348 0.1304348), wk = 0.0032573 k( 159) = ( 0.1376812 0.1376812 0.1376812), wk = 0.0032573 k( 160) = ( 0.1449275 0.1449275 0.1449275), wk = 0.0032573 k( 161) = ( 0.1521739 0.1521739 0.1521739), wk = 0.0032573 k( 162) = ( 0.1594203 0.1594203 0.1594203), wk = 0.0032573 k( 163) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0032573 k( 164) = ( 0.1739130 0.1739130 0.1739130), wk = 0.0032573 k( 165) = ( 0.1811594 0.1811594 0.1811594), wk = 0.0032573 k( 166) = ( 0.1884058 0.1884058 0.1884058), wk = 0.0032573 k( 167) = ( 0.1956522 0.1956522 0.1956522), wk = 0.0032573 k( 168) = ( 0.2028986 0.2028985 0.2028985), wk = 0.0032573 k( 169) = ( 0.2101449 0.2101449 0.2101449), wk = 0.0032573 k( 170) = ( 0.2173913 0.2173913 0.2173913), wk = 0.0032573 k( 171) = ( 0.2246377 0.2246377 0.2246377), wk = 0.0032573 k( 172) = ( 0.2318841 0.2318841 0.2318841), wk = 0.0032573 k( 173) = ( 0.2391304 0.2391304 0.2391304), wk = 0.0032573 k( 174) = ( 0.2463768 0.2463768 0.2463768), wk = 0.0032573 k( 175) = ( 0.2536232 0.2536232 0.2536232), wk = 0.0032573 k( 176) = ( 0.2608696 0.2608696 0.2608696), wk = 0.0032573 k( 177) = ( 0.2681159 0.2681159 0.2681159), wk = 0.0032573 k( 178) = ( 0.2753623 0.2753623 0.2753623), wk = 0.0032573 k( 179) = ( 0.2826087 0.2826087 0.2826087), wk = 0.0032573 k( 180) = ( 0.2898551 0.2898551 0.2898551), wk = 0.0032573 k( 181) = ( 0.2971014 0.2971014 0.2971014), wk = 0.0032573 k( 182) = ( 0.3043478 0.3043478 0.3043478), wk = 0.0032573 k( 183) = ( 0.3115942 0.3115942 0.3115942), wk = 0.0032573 k( 184) = ( 0.3188406 0.3188406 0.3188406), wk = 0.0032573 k( 185) = ( 0.3260870 0.3260870 0.3260870), wk = 0.0032573 k( 186) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0032573 k( 187) = ( 0.3405797 0.3405797 0.3405797), wk = 0.0032573 k( 188) = ( 0.3478261 0.3478261 0.3478261), wk = 0.0032573 k( 189) = ( 0.3550725 0.3550725 0.3550725), wk = 0.0032573 k( 190) = ( 0.3623188 0.3623188 0.3623188), wk = 0.0032573 k( 191) = ( 0.3695652 0.3695652 0.3695652), wk = 0.0032573 k( 192) = ( 0.3768116 0.3768116 0.3768116), wk = 0.0032573 k( 193) = ( 0.3840580 0.3840580 0.3840580), wk = 0.0032573 k( 194) = ( 0.3913044 0.3913043 0.3913043), wk = 0.0032573 k( 195) = ( 0.3985507 0.3985507 0.3985507), wk = 0.0032573 k( 196) = ( 0.4057971 0.4057971 0.4057971), wk = 0.0032573 k( 197) = ( 0.4130435 0.4130435 0.4130435), wk = 0.0032573 k( 198) = ( 0.4202899 0.4202899 0.4202899), wk = 0.0032573 k( 199) = ( 0.4275362 0.4275362 0.4275362), wk = 0.0032573 k( 200) = ( 0.4347826 0.4347826 0.4347826), wk = 0.0032573 k( 201) = ( 0.4420290 0.4420290 0.4420290), wk = 0.0032573 k( 202) = ( 0.4492754 0.4492754 0.4492754), wk = 0.0032573 k( 203) = ( 0.4565217 0.4565217 0.4565217), wk = 0.0032573 k( 204) = ( 0.4637681 0.4637681 0.4637681), wk = 0.0032573 k( 205) = ( 0.4710145 0.4710145 0.4710145), wk = 0.0032573 k( 206) = ( 0.4782609 0.4782609 0.4782609), wk = 0.0032573 k( 207) = ( 0.4855073 0.4855072 0.4855072), wk = 0.0032573 k( 208) = ( 0.4927536 0.4927536 0.4927536), wk = 0.0032573 k( 209) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032573 k( 210) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032573 k( 211) = ( 0.4910714 0.5000000 0.4910714), wk = 0.0032573 k( 212) = ( 0.4821429 0.5000000 0.4821429), wk = 0.0032573 k( 213) = ( 0.4732143 0.5000000 0.4732143), wk = 0.0032573 k( 214) = ( 0.4642857 0.5000000 0.4642857), wk = 0.0032573 k( 215) = ( 0.4553571 0.5000000 0.4553571), wk = 0.0032573 k( 216) = ( 0.4464286 0.5000000 0.4464286), wk = 0.0032573 k( 217) = ( 0.4375000 0.5000000 0.4375000), wk = 0.0032573 k( 218) = ( 0.4285714 0.5000000 0.4285714), wk = 0.0032573 k( 219) = ( 0.4196429 0.5000000 0.4196429), wk = 0.0032573 k( 220) = ( 0.4107143 0.5000000 0.4107143), wk = 0.0032573 k( 221) = ( 0.4017857 0.5000000 0.4017857), wk = 0.0032573 k( 222) = ( 0.3928571 0.5000000 0.3928571), wk = 0.0032573 k( 223) = ( 0.3839286 0.5000000 0.3839286), wk = 0.0032573 k( 224) = ( 0.3750000 0.5000000 0.3750000), wk = 0.0032573 k( 225) = ( 0.3660714 0.5000000 0.3660714), wk = 0.0032573 k( 226) = ( 0.3571429 0.5000000 0.3571429), wk = 0.0032573 k( 227) = ( 0.3482143 0.5000000 0.3482143), wk = 0.0032573 k( 228) = ( 0.3392857 0.5000000 0.3392857), wk = 0.0032573 k( 229) = ( 0.3303571 0.5000000 0.3303571), wk = 0.0032573 k( 230) = ( 0.3214286 0.5000000 0.3214286), wk = 0.0032573 k( 231) = ( 0.3125000 0.5000000 0.3125000), wk = 0.0032573 k( 232) = ( 0.3035714 0.5000000 0.3035714), wk = 0.0032573 k( 233) = ( 0.2946429 0.5000000 0.2946429), wk = 0.0032573 k( 234) = ( 0.2857143 0.5000000 0.2857143), wk = 0.0032573 k( 235) = ( 0.2767857 0.5000000 0.2767857), wk = 0.0032573 k( 236) = ( 0.2678571 0.5000000 0.2678571), wk = 0.0032573 k( 237) = ( 0.2589286 0.5000000 0.2589286), wk = 0.0032573 k( 238) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0032573 k( 239) = ( 0.2410714 0.5000000 0.2410714), wk = 0.0032573 k( 240) = ( 0.2321429 0.5000000 0.2321429), wk = 0.0032573 k( 241) = ( 0.2232143 0.5000000 0.2232143), wk = 0.0032573 k( 242) = ( 0.2142857 0.5000000 0.2142857), wk = 0.0032573 k( 243) = ( 0.2053571 0.5000000 0.2053571), wk = 0.0032573 k( 244) = ( 0.1964286 0.5000000 0.1964286), wk = 0.0032573 k( 245) = ( 0.1875000 0.5000000 0.1875000), wk = 0.0032573 k( 246) = ( 0.1785714 0.5000000 0.1785714), wk = 0.0032573 k( 247) = ( 0.1696429 0.5000000 0.1696429), wk = 0.0032573 k( 248) = ( 0.1607143 0.5000000 0.1607143), wk = 0.0032573 k( 249) = ( 0.1517857 0.5000000 0.1517857), wk = 0.0032573 k( 250) = ( 0.1428571 0.5000000 0.1428571), wk = 0.0032573 k( 251) = ( 0.1339286 0.5000000 0.1339286), wk = 0.0032573 k( 252) = ( 0.1250000 0.5000000 0.1250000), wk = 0.0032573 k( 253) = ( 0.1160714 0.5000000 0.1160714), wk = 0.0032573 k( 254) = ( 0.1071429 0.5000000 0.1071429), wk = 0.0032573 k( 255) = ( 0.0982143 0.5000000 0.0982143), wk = 0.0032573 k( 256) = ( 0.0892857 0.5000000 0.0892857), wk = 0.0032573 k( 257) = ( 0.0803571 0.5000000 0.0803571), wk = 0.0032573 k( 258) = ( 0.0714286 0.5000000 0.0714286), wk = 0.0032573 k( 259) = ( 0.0625000 0.5000000 0.0625000), wk = 0.0032573 k( 260) = ( 0.0535714 0.5000000 0.0535714), wk = 0.0032573 k( 261) = ( 0.0446429 0.5000000 0.0446429), wk = 0.0032573 k( 262) = ( 0.0357143 0.5000000 0.0357143), wk = 0.0032573 k( 263) = ( 0.0267857 0.5000000 0.0267857), wk = 0.0032573 k( 264) = ( 0.0178571 0.5000000 0.0178571), wk = 0.0032573 k( 265) = ( 0.0089286 0.5000000 0.0089286), wk = 0.0032573 k( 266) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032573 k( 267) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032573 k( 268) = ( 0.5000000 0.5000000 0.0125000), wk = 0.0032573 k( 269) = ( 0.5000000 0.5000000 0.0250000), wk = 0.0032573 k( 270) = ( 0.5000000 0.5000000 0.0375000), wk = 0.0032573 k( 271) = ( 0.5000000 0.5000000 0.0500000), wk = 0.0032573 k( 272) = ( 0.5000000 0.5000000 0.0625000), wk = 0.0032573 k( 273) = ( 0.5000000 0.5000000 0.0750000), wk = 0.0032573 k( 274) = ( 0.5000000 0.5000000 0.0875000), wk = 0.0032573 k( 275) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0032573 k( 276) = ( 0.5000000 0.5000000 0.1125000), wk = 0.0032573 k( 277) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0032573 k( 278) = ( 0.5000000 0.5000000 0.1375000), wk = 0.0032573 k( 279) = ( 0.5000000 0.5000000 0.1500000), wk = 0.0032573 k( 280) = ( 0.5000000 0.5000000 0.1625000), wk = 0.0032573 k( 281) = ( 0.5000000 0.5000000 0.1750000), wk = 0.0032573 k( 282) = ( 0.5000000 0.5000000 0.1875000), wk = 0.0032573 k( 283) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0032573 k( 284) = ( 0.5000000 0.5000000 0.2125000), wk = 0.0032573 k( 285) = ( 0.5000000 0.5000000 0.2250000), wk = 0.0032573 k( 286) = ( 0.5000000 0.5000000 0.2375000), wk = 0.0032573 k( 287) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0032573 k( 288) = ( 0.5000000 0.5000000 0.2625000), wk = 0.0032573 k( 289) = ( 0.5000000 0.5000000 0.2750000), wk = 0.0032573 k( 290) = ( 0.5000000 0.5000000 0.2875000), wk = 0.0032573 k( 291) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0032573 k( 292) = ( 0.5000000 0.5000000 0.3125000), wk = 0.0032573 k( 293) = ( 0.5000000 0.5000000 0.3250000), wk = 0.0032573 k( 294) = ( 0.5000000 0.5000000 0.3375000), wk = 0.0032573 k( 295) = ( 0.5000000 0.5000000 0.3500000), wk = 0.0032573 k( 296) = ( 0.5000000 0.5000000 0.3625000), wk = 0.0032573 k( 297) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0032573 k( 298) = ( 0.5000000 0.5000000 0.3875000), wk = 0.0032573 k( 299) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0032573 k( 300) = ( 0.5000000 0.5000000 0.4125000), wk = 0.0032573 k( 301) = ( 0.5000000 0.5000000 0.4250000), wk = 0.0032573 k( 302) = ( 0.5000000 0.5000000 0.4375000), wk = 0.0032573 k( 303) = ( 0.5000000 0.5000000 0.4500000), wk = 0.0032573 k( 304) = ( 0.5000000 0.5000000 0.4625000), wk = 0.0032573 k( 305) = ( 0.5000000 0.5000000 0.4750000), wk = 0.0032573 k( 306) = ( 0.5000000 0.5000000 0.4875000), wk = 0.0032573 k( 307) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032573 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 2) = ( 0.0000000 0.0125000 0.0000000), wk = 0.0032573 k( 3) = ( 0.0000000 0.0250000 0.0000000), wk = 0.0032573 k( 4) = ( 0.0000000 0.0375000 0.0000000), wk = 0.0032573 k( 5) = ( 0.0000000 0.0500000 0.0000000), wk = 0.0032573 k( 6) = ( 0.0000000 0.0625000 0.0000000), wk = 0.0032573 k( 7) = ( 0.0000000 0.0750000 0.0000000), wk = 0.0032573 k( 8) = ( 0.0000000 0.0875000 0.0000000), wk = 0.0032573 k( 9) = ( 0.0000000 0.1000000 0.0000000), wk = 0.0032573 k( 10) = ( 0.0000000 0.1125000 0.0000000), wk = 0.0032573 k( 11) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0032573 k( 12) = ( 0.0000000 0.1375000 0.0000000), wk = 0.0032573 k( 13) = ( 0.0000000 0.1500000 0.0000000), wk = 0.0032573 k( 14) = ( 0.0000000 0.1625000 0.0000000), wk = 0.0032573 k( 15) = ( 0.0000000 0.1750000 0.0000000), wk = 0.0032573 k( 16) = ( 0.0000000 0.1875000 0.0000000), wk = 0.0032573 k( 17) = ( 0.0000000 0.2000000 0.0000000), wk = 0.0032573 k( 18) = ( 0.0000000 0.2125000 0.0000000), wk = 0.0032573 k( 19) = ( 0.0000000 0.2250000 0.0000000), wk = 0.0032573 k( 20) = ( 0.0000000 0.2375000 0.0000000), wk = 0.0032573 k( 21) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0032573 k( 22) = ( 0.0000000 0.2625000 0.0000000), wk = 0.0032573 k( 23) = ( 0.0000000 0.2750000 0.0000000), wk = 0.0032573 k( 24) = ( 0.0000000 0.2875000 0.0000000), wk = 0.0032573 k( 25) = ( 0.0000000 0.3000000 0.0000000), wk = 0.0032573 k( 26) = ( 0.0000000 0.3125000 0.0000000), wk = 0.0032573 k( 27) = ( 0.0000000 0.3250000 0.0000000), wk = 0.0032573 k( 28) = ( 0.0000000 0.3375000 0.0000000), wk = 0.0032573 k( 29) = ( 0.0000000 0.3500000 0.0000000), wk = 0.0032573 k( 30) = ( 0.0000000 0.3625000 0.0000000), wk = 0.0032573 k( 31) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0032573 k( 32) = ( 0.0000000 0.3875000 0.0000000), wk = 0.0032573 k( 33) = ( 0.0000000 0.4000000 0.0000000), wk = 0.0032573 k( 34) = ( 0.0000000 0.4125000 0.0000000), wk = 0.0032573 k( 35) = ( 0.0000000 0.4250000 0.0000000), wk = 0.0032573 k( 36) = ( 0.0000000 0.4375000 0.0000000), wk = 0.0032573 k( 37) = ( 0.0000000 0.4500000 0.0000000), wk = 0.0032573 k( 38) = ( 0.0000000 0.4625000 0.0000000), wk = 0.0032573 k( 39) = ( 0.0000000 0.4750000 0.0000000), wk = 0.0032573 k( 40) = ( 0.0000000 0.4875000 0.0000000), wk = 0.0032573 k( 41) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032573 k( 42) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032573 k( 43) = ( 0.0125000 0.5000000 0.0000000), wk = 0.0032573 k( 44) = ( 0.0250000 0.5000000 0.0000000), wk = 0.0032573 k( 45) = ( 0.0375000 0.5000000 0.0000000), wk = 0.0032573 k( 46) = ( 0.0500000 0.5000000 0.0000000), wk = 0.0032573 k( 47) = ( 0.0625000 0.5000000 0.0000000), wk = 0.0032573 k( 48) = ( 0.0750000 0.5000000 0.0000000), wk = 0.0032573 k( 49) = ( 0.0875000 0.5000000 0.0000000), wk = 0.0032573 k( 50) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0032573 k( 51) = ( 0.1125000 0.5000000 0.0000000), wk = 0.0032573 k( 52) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0032573 k( 53) = ( 0.1375000 0.5000000 0.0000000), wk = 0.0032573 k( 54) = ( 0.1500000 0.5000000 0.0000000), wk = 0.0032573 k( 55) = ( 0.1625000 0.5000000 0.0000000), wk = 0.0032573 k( 56) = ( 0.1750000 0.5000000 0.0000000), wk = 0.0032573 k( 57) = ( 0.1875000 0.5000000 0.0000000), wk = 0.0032573 k( 58) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0032573 k( 59) = ( 0.2125000 0.5000000 0.0000000), wk = 0.0032573 k( 60) = ( 0.2250000 0.5000000 0.0000000), wk = 0.0032573 k( 61) = ( 0.2375000 0.5000000 0.0000000), wk = 0.0032573 k( 62) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0032573 k( 63) = ( 0.2625000 0.5000000 0.0000000), wk = 0.0032573 k( 64) = ( 0.2750000 0.5000000 0.0000000), wk = 0.0032573 k( 65) = ( 0.2875000 0.5000000 0.0000000), wk = 0.0032573 k( 66) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0032573 k( 67) = ( 0.3125000 0.5000000 0.0000000), wk = 0.0032573 k( 68) = ( 0.3250000 0.5000000 0.0000000), wk = 0.0032573 k( 69) = ( 0.3375000 0.5000000 0.0000000), wk = 0.0032573 k( 70) = ( 0.3500000 0.5000000 0.0000000), wk = 0.0032573 k( 71) = ( 0.3625000 0.5000000 0.0000000), wk = 0.0032573 k( 72) = ( 0.3750000 0.5000000 0.0000000), wk = 0.0032573 k( 73) = ( 0.3875000 0.5000000 0.0000000), wk = 0.0032573 k( 74) = ( 0.4000000 0.5000000 0.0000000), wk = 0.0032573 k( 75) = ( 0.4125000 0.5000000 0.0000000), wk = 0.0032573 k( 76) = ( 0.4250000 0.5000000 0.0000000), wk = 0.0032573 k( 77) = ( 0.4375000 0.5000000 0.0000000), wk = 0.0032573 k( 78) = ( 0.4500000 0.5000000 0.0000000), wk = 0.0032573 k( 79) = ( 0.4625000 0.5000000 0.0000000), wk = 0.0032573 k( 80) = ( 0.4750000 0.5000000 0.0000000), wk = 0.0032573 k( 81) = ( 0.4875000 0.5000000 0.0000000), wk = 0.0032573 k( 82) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032573 k( 83) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032573 k( 84) = ( 0.4910714 0.4910714 0.0000000), wk = 0.0032573 k( 85) = ( 0.4821429 0.4821429 0.0000000), wk = 0.0032573 k( 86) = ( 0.4732143 0.4732143 0.0000000), wk = 0.0032573 k( 87) = ( 0.4642857 0.4642857 0.0000000), wk = 0.0032573 k( 88) = ( 0.4553571 0.4553571 0.0000000), wk = 0.0032573 k( 89) = ( 0.4464286 0.4464286 0.0000000), wk = 0.0032573 k( 90) = ( 0.4375000 0.4375000 0.0000000), wk = 0.0032573 k( 91) = ( 0.4285714 0.4285714 0.0000000), wk = 0.0032573 k( 92) = ( 0.4196429 0.4196429 0.0000000), wk = 0.0032573 k( 93) = ( 0.4107143 0.4107143 0.0000000), wk = 0.0032573 k( 94) = ( 0.4017857 0.4017857 0.0000000), wk = 0.0032573 k( 95) = ( 0.3928571 0.3928571 0.0000000), wk = 0.0032573 k( 96) = ( 0.3839286 0.3839286 0.0000000), wk = 0.0032573 k( 97) = ( 0.3750000 0.3750000 0.0000000), wk = 0.0032573 k( 98) = ( 0.3660714 0.3660714 0.0000000), wk = 0.0032573 k( 99) = ( 0.3571429 0.3571429 0.0000000), wk = 0.0032573 k( 100) = ( 0.3482143 0.3482143 0.0000000), wk = 0.0032573 k( 101) = ( 0.3392857 0.3392857 0.0000000), wk = 0.0032573 k( 102) = ( 0.3303571 0.3303571 0.0000000), wk = 0.0032573 k( 103) = ( 0.3214286 0.3214286 0.0000000), wk = 0.0032573 k( 104) = ( 0.3125000 0.3125000 0.0000000), wk = 0.0032573 k( 105) = ( 0.3035714 0.3035714 0.0000000), wk = 0.0032573 k( 106) = ( 0.2946429 0.2946429 0.0000000), wk = 0.0032573 k( 107) = ( 0.2857143 0.2857143 0.0000000), wk = 0.0032573 k( 108) = ( 0.2767857 0.2767857 0.0000000), wk = 0.0032573 k( 109) = ( 0.2678571 0.2678571 0.0000000), wk = 0.0032573 k( 110) = ( 0.2589286 0.2589286 0.0000000), wk = 0.0032573 k( 111) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0032573 k( 112) = ( 0.2410714 0.2410714 0.0000000), wk = 0.0032573 k( 113) = ( 0.2321429 0.2321429 0.0000000), wk = 0.0032573 k( 114) = ( 0.2232143 0.2232143 0.0000000), wk = 0.0032573 k( 115) = ( 0.2142857 0.2142857 0.0000000), wk = 0.0032573 k( 116) = ( 0.2053571 0.2053571 0.0000000), wk = 0.0032573 k( 117) = ( 0.1964286 0.1964286 0.0000000), wk = 0.0032573 k( 118) = ( 0.1875000 0.1875000 0.0000000), wk = 0.0032573 k( 119) = ( 0.1785714 0.1785714 0.0000000), wk = 0.0032573 k( 120) = ( 0.1696429 0.1696429 0.0000000), wk = 0.0032573 k( 121) = ( 0.1607143 0.1607143 0.0000000), wk = 0.0032573 k( 122) = ( 0.1517857 0.1517857 0.0000000), wk = 0.0032573 k( 123) = ( 0.1428571 0.1428571 0.0000000), wk = 0.0032573 k( 124) = ( 0.1339286 0.1339286 0.0000000), wk = 0.0032573 k( 125) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0032573 k( 126) = ( 0.1160714 0.1160714 0.0000000), wk = 0.0032573 k( 127) = ( 0.1071429 0.1071429 0.0000000), wk = 0.0032573 k( 128) = ( 0.0982143 0.0982143 0.0000000), wk = 0.0032573 k( 129) = ( 0.0892857 0.0892857 0.0000000), wk = 0.0032573 k( 130) = ( 0.0803571 0.0803571 0.0000000), wk = 0.0032573 k( 131) = ( 0.0714286 0.0714286 0.0000000), wk = 0.0032573 k( 132) = ( 0.0625000 0.0625000 0.0000000), wk = 0.0032573 k( 133) = ( 0.0535714 0.0535714 0.0000000), wk = 0.0032573 k( 134) = ( 0.0446429 0.0446429 0.0000000), wk = 0.0032573 k( 135) = ( 0.0357143 0.0357143 0.0000000), wk = 0.0032573 k( 136) = ( 0.0267857 0.0267857 0.0000000), wk = 0.0032573 k( 137) = ( 0.0178571 0.0178571 0.0000000), wk = 0.0032573 k( 138) = ( 0.0089286 0.0089286 0.0000000), wk = 0.0032573 k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 141) = ( 0.0072464 0.0072464 0.0072464), wk = 0.0032573 k( 142) = ( 0.0144928 0.0144928 0.0144928), wk = 0.0032573 k( 143) = ( 0.0217391 0.0217391 0.0217391), wk = 0.0032573 k( 144) = ( 0.0289855 0.0289855 0.0289855), wk = 0.0032573 k( 145) = ( 0.0362319 0.0362319 0.0362319), wk = 0.0032573 k( 146) = ( 0.0434783 0.0434783 0.0434783), wk = 0.0032573 k( 147) = ( 0.0507246 0.0507246 0.0507246), wk = 0.0032573 k( 148) = ( 0.0579710 0.0579710 0.0579710), wk = 0.0032573 k( 149) = ( 0.0652174 0.0652174 0.0652174), wk = 0.0032573 k( 150) = ( 0.0724638 0.0724638 0.0724638), wk = 0.0032573 k( 151) = ( 0.0797101 0.0797101 0.0797101), wk = 0.0032573 k( 152) = ( 0.0869565 0.0869565 0.0869565), wk = 0.0032573 k( 153) = ( 0.0942029 0.0942029 0.0942029), wk = 0.0032573 k( 154) = ( 0.1014493 0.1014493 0.1014493), wk = 0.0032573 k( 155) = ( 0.1086957 0.1086957 0.1086957), wk = 0.0032573 k( 156) = ( 0.1159420 0.1159420 0.1159420), wk = 0.0032573 k( 157) = ( 0.1231884 0.1231884 0.1231884), wk = 0.0032573 k( 158) = ( 0.1304348 0.1304348 0.1304348), wk = 0.0032573 k( 159) = ( 0.1376812 0.1376812 0.1376812), wk = 0.0032573 k( 160) = ( 0.1449275 0.1449275 0.1449275), wk = 0.0032573 k( 161) = ( 0.1521739 0.1521739 0.1521739), wk = 0.0032573 k( 162) = ( 0.1594203 0.1594203 0.1594203), wk = 0.0032573 k( 163) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0032573 k( 164) = ( 0.1739130 0.1739130 0.1739130), wk = 0.0032573 k( 165) = ( 0.1811594 0.1811594 0.1811594), wk = 0.0032573 k( 166) = ( 0.1884058 0.1884058 0.1884058), wk = 0.0032573 k( 167) = ( 0.1956522 0.1956522 0.1956522), wk = 0.0032573 k( 168) = ( 0.2028986 0.2028986 0.2028986), wk = 0.0032573 k( 169) = ( 0.2101449 0.2101449 0.2101449), wk = 0.0032573 k( 170) = ( 0.2173913 0.2173913 0.2173913), wk = 0.0032573 k( 171) = ( 0.2246377 0.2246377 0.2246377), wk = 0.0032573 k( 172) = ( 0.2318841 0.2318841 0.2318841), wk = 0.0032573 k( 173) = ( 0.2391304 0.2391304 0.2391304), wk = 0.0032573 k( 174) = ( 0.2463768 0.2463768 0.2463768), wk = 0.0032573 k( 175) = ( 0.2536232 0.2536232 0.2536232), wk = 0.0032573 k( 176) = ( 0.2608696 0.2608696 0.2608696), wk = 0.0032573 k( 177) = ( 0.2681159 0.2681159 0.2681159), wk = 0.0032573 k( 178) = ( 0.2753623 0.2753623 0.2753623), wk = 0.0032573 k( 179) = ( 0.2826087 0.2826087 0.2826087), wk = 0.0032573 k( 180) = ( 0.2898551 0.2898551 0.2898551), wk = 0.0032573 k( 181) = ( 0.2971014 0.2971014 0.2971014), wk = 0.0032573 k( 182) = ( 0.3043478 0.3043478 0.3043478), wk = 0.0032573 k( 183) = ( 0.3115942 0.3115942 0.3115942), wk = 0.0032573 k( 184) = ( 0.3188406 0.3188406 0.3188406), wk = 0.0032573 k( 185) = ( 0.3260870 0.3260870 0.3260870), wk = 0.0032573 k( 186) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0032573 k( 187) = ( 0.3405797 0.3405797 0.3405797), wk = 0.0032573 k( 188) = ( 0.3478261 0.3478261 0.3478261), wk = 0.0032573 k( 189) = ( 0.3550725 0.3550725 0.3550725), wk = 0.0032573 k( 190) = ( 0.3623188 0.3623188 0.3623188), wk = 0.0032573 k( 191) = ( 0.3695652 0.3695652 0.3695652), wk = 0.0032573 k( 192) = ( 0.3768116 0.3768116 0.3768116), wk = 0.0032573 k( 193) = ( 0.3840580 0.3840580 0.3840580), wk = 0.0032573 k( 194) = ( 0.3913044 0.3913044 0.3913044), wk = 0.0032573 k( 195) = ( 0.3985507 0.3985507 0.3985507), wk = 0.0032573 k( 196) = ( 0.4057971 0.4057971 0.4057971), wk = 0.0032573 k( 197) = ( 0.4130435 0.4130435 0.4130435), wk = 0.0032573 k( 198) = ( 0.4202899 0.4202899 0.4202899), wk = 0.0032573 k( 199) = ( 0.4275362 0.4275362 0.4275362), wk = 0.0032573 k( 200) = ( 0.4347826 0.4347826 0.4347826), wk = 0.0032573 k( 201) = ( 0.4420290 0.4420290 0.4420290), wk = 0.0032573 k( 202) = ( 0.4492754 0.4492754 0.4492754), wk = 0.0032573 k( 203) = ( 0.4565217 0.4565217 0.4565217), wk = 0.0032573 k( 204) = ( 0.4637681 0.4637681 0.4637681), wk = 0.0032573 k( 205) = ( 0.4710145 0.4710145 0.4710145), wk = 0.0032573 k( 206) = ( 0.4782609 0.4782609 0.4782609), wk = 0.0032573 k( 207) = ( 0.4855073 0.4855073 0.4855073), wk = 0.0032573 k( 208) = ( 0.4927536 0.4927536 0.4927536), wk = 0.0032573 k( 209) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032573 k( 210) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032573 k( 211) = ( 0.4910714 0.5000000 0.4910714), wk = 0.0032573 k( 212) = ( 0.4821429 0.5000000 0.4821429), wk = 0.0032573 k( 213) = ( 0.4732143 0.5000000 0.4732143), wk = 0.0032573 k( 214) = ( 0.4642857 0.5000000 0.4642857), wk = 0.0032573 k( 215) = ( 0.4553571 0.5000000 0.4553571), wk = 0.0032573 k( 216) = ( 0.4464286 0.5000000 0.4464286), wk = 0.0032573 k( 217) = ( 0.4375000 0.5000000 0.4375000), wk = 0.0032573 k( 218) = ( 0.4285714 0.5000000 0.4285714), wk = 0.0032573 k( 219) = ( 0.4196429 0.5000000 0.4196429), wk = 0.0032573 k( 220) = ( 0.4107143 0.5000000 0.4107143), wk = 0.0032573 k( 221) = ( 0.4017857 0.5000000 0.4017857), wk = 0.0032573 k( 222) = ( 0.3928571 0.5000000 0.3928571), wk = 0.0032573 k( 223) = ( 0.3839286 0.5000000 0.3839286), wk = 0.0032573 k( 224) = ( 0.3750000 0.5000000 0.3750000), wk = 0.0032573 k( 225) = ( 0.3660714 0.5000000 0.3660714), wk = 0.0032573 k( 226) = ( 0.3571429 0.5000000 0.3571429), wk = 0.0032573 k( 227) = ( 0.3482143 0.5000000 0.3482143), wk = 0.0032573 k( 228) = ( 0.3392857 0.5000000 0.3392857), wk = 0.0032573 k( 229) = ( 0.3303571 0.5000000 0.3303571), wk = 0.0032573 k( 230) = ( 0.3214286 0.5000000 0.3214286), wk = 0.0032573 k( 231) = ( 0.3125000 0.5000000 0.3125000), wk = 0.0032573 k( 232) = ( 0.3035714 0.5000000 0.3035714), wk = 0.0032573 k( 233) = ( 0.2946429 0.5000000 0.2946429), wk = 0.0032573 k( 234) = ( 0.2857143 0.5000000 0.2857143), wk = 0.0032573 k( 235) = ( 0.2767857 0.5000000 0.2767857), wk = 0.0032573 k( 236) = ( 0.2678571 0.5000000 0.2678571), wk = 0.0032573 k( 237) = ( 0.2589286 0.5000000 0.2589286), wk = 0.0032573 k( 238) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0032573 k( 239) = ( 0.2410714 0.5000000 0.2410714), wk = 0.0032573 k( 240) = ( 0.2321429 0.5000000 0.2321429), wk = 0.0032573 k( 241) = ( 0.2232143 0.5000000 0.2232143), wk = 0.0032573 k( 242) = ( 0.2142857 0.5000000 0.2142857), wk = 0.0032573 k( 243) = ( 0.2053571 0.5000000 0.2053571), wk = 0.0032573 k( 244) = ( 0.1964286 0.5000000 0.1964286), wk = 0.0032573 k( 245) = ( 0.1875000 0.5000000 0.1875000), wk = 0.0032573 k( 246) = ( 0.1785714 0.5000000 0.1785714), wk = 0.0032573 k( 247) = ( 0.1696429 0.5000000 0.1696429), wk = 0.0032573 k( 248) = ( 0.1607143 0.5000000 0.1607143), wk = 0.0032573 k( 249) = ( 0.1517857 0.5000000 0.1517857), wk = 0.0032573 k( 250) = ( 0.1428571 0.5000000 0.1428571), wk = 0.0032573 k( 251) = ( 0.1339286 0.5000000 0.1339286), wk = 0.0032573 k( 252) = ( 0.1250000 0.5000000 0.1250000), wk = 0.0032573 k( 253) = ( 0.1160714 0.5000000 0.1160714), wk = 0.0032573 k( 254) = ( 0.1071429 0.5000000 0.1071429), wk = 0.0032573 k( 255) = ( 0.0982143 0.5000000 0.0982143), wk = 0.0032573 k( 256) = ( 0.0892857 0.5000000 0.0892857), wk = 0.0032573 k( 257) = ( 0.0803571 0.5000000 0.0803571), wk = 0.0032573 k( 258) = ( 0.0714286 0.5000000 0.0714286), wk = 0.0032573 k( 259) = ( 0.0625000 0.5000000 0.0625000), wk = 0.0032573 k( 260) = ( 0.0535714 0.5000000 0.0535714), wk = 0.0032573 k( 261) = ( 0.0446429 0.5000000 0.0446429), wk = 0.0032573 k( 262) = ( 0.0357143 0.5000000 0.0357143), wk = 0.0032573 k( 263) = ( 0.0267857 0.5000000 0.0267857), wk = 0.0032573 k( 264) = ( 0.0178571 0.5000000 0.0178571), wk = 0.0032573 k( 265) = ( 0.0089286 0.5000000 0.0089286), wk = 0.0032573 k( 266) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032573 k( 267) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032573 k( 268) = ( 0.5000000 0.5000000 0.0125000), wk = 0.0032573 k( 269) = ( 0.5000000 0.5000000 0.0250000), wk = 0.0032573 k( 270) = ( 0.5000000 0.5000000 0.0375000), wk = 0.0032573 k( 271) = ( 0.5000000 0.5000000 0.0500000), wk = 0.0032573 k( 272) = ( 0.5000000 0.5000000 0.0625000), wk = 0.0032573 k( 273) = ( 0.5000000 0.5000000 0.0750000), wk = 0.0032573 k( 274) = ( 0.5000000 0.5000000 0.0875000), wk = 0.0032573 k( 275) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0032573 k( 276) = ( 0.5000000 0.5000000 0.1125000), wk = 0.0032573 k( 277) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0032573 k( 278) = ( 0.5000000 0.5000000 0.1375000), wk = 0.0032573 k( 279) = ( 0.5000000 0.5000000 0.1500000), wk = 0.0032573 k( 280) = ( 0.5000000 0.5000000 0.1625000), wk = 0.0032573 k( 281) = ( 0.5000000 0.5000000 0.1750000), wk = 0.0032573 k( 282) = ( 0.5000000 0.5000000 0.1875000), wk = 0.0032573 k( 283) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0032573 k( 284) = ( 0.5000000 0.5000000 0.2125000), wk = 0.0032573 k( 285) = ( 0.5000000 0.5000000 0.2250000), wk = 0.0032573 k( 286) = ( 0.5000000 0.5000000 0.2375000), wk = 0.0032573 k( 287) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0032573 k( 288) = ( 0.5000000 0.5000000 0.2625000), wk = 0.0032573 k( 289) = ( 0.5000000 0.5000000 0.2750000), wk = 0.0032573 k( 290) = ( 0.5000000 0.5000000 0.2875000), wk = 0.0032573 k( 291) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0032573 k( 292) = ( 0.5000000 0.5000000 0.3125000), wk = 0.0032573 k( 293) = ( 0.5000000 0.5000000 0.3250000), wk = 0.0032573 k( 294) = ( 0.5000000 0.5000000 0.3375000), wk = 0.0032573 k( 295) = ( 0.5000000 0.5000000 0.3500000), wk = 0.0032573 k( 296) = ( 0.5000000 0.5000000 0.3625000), wk = 0.0032573 k( 297) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0032573 k( 298) = ( 0.5000000 0.5000000 0.3875000), wk = 0.0032573 k( 299) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0032573 k( 300) = ( 0.5000000 0.5000000 0.4125000), wk = 0.0032573 k( 301) = ( 0.5000000 0.5000000 0.4250000), wk = 0.0032573 k( 302) = ( 0.5000000 0.5000000 0.4375000), wk = 0.0032573 k( 303) = ( 0.5000000 0.5000000 0.4500000), wk = 0.0032573 k( 304) = ( 0.5000000 0.5000000 0.4625000), wk = 0.0032573 k( 305) = ( 0.5000000 0.5000000 0.4750000), wk = 0.0032573 k( 306) = ( 0.5000000 0.5000000 0.4875000), wk = 0.0032573 k( 307) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032573 Dense grid: 62525 G-vectors FFT dimensions: ( 50, 50, 50) Smooth grid: 59813 G-vectors FFT dimensions: ( 50, 50, 50) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.29 Mb ( 430, 44) NL pseudopotentials 0.38 Mb ( 215, 116) Each V/rho on FFT grid 0.08 Mb ( 5000) Each G-vector array 0.01 Mb ( 1739) G-vector shells 0.00 Mb ( 394) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.15 Mb ( 430, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.16 Mb ( 116, 2, 44) The potential is recalculated from file : ./LiAu3.save/charge-density.dat Starting wfc are 64 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.1 secs Computing kpt #: 2 total cpu time spent up to now is 2.7 secs Computing kpt #: 3 total cpu time spent up to now is 3.2 secs Computing kpt #: 4 total cpu time spent up to now is 3.8 secs Computing kpt #: 5 total cpu time spent up to now is 4.3 secs Computing kpt #: 6 total cpu time spent up to now is 4.9 secs Computing kpt #: 7 total cpu time spent up to now is 5.4 secs Computing kpt #: 8 total cpu time spent up to now is 6.0 secs Computing kpt #: 9 total cpu time spent up to now is 6.6 secs Computing kpt #: 10 total cpu time spent up to now is 7.1 secs Computing kpt #: 11 total cpu time spent up to now is 7.7 secs Computing kpt #: 12 total cpu time spent up to now is 8.3 secs Computing kpt #: 13 total cpu time spent up to now is 8.9 secs Computing kpt #: 14 total cpu time spent up to now is 9.5 secs Computing kpt #: 15 total cpu time spent up to now is 10.1 secs Computing kpt #: 16 total cpu time spent up to now is 10.7 secs Computing kpt #: 17 total cpu time spent up to now is 11.3 secs Computing kpt #: 18 total cpu time spent up to now is 11.9 secs Computing kpt #: 19 total cpu time spent up to now is 12.5 secs Computing kpt #: 20 total cpu time spent up to now is 13.1 secs Computing kpt #: 21 total cpu time spent up to now is 13.7 secs Computing kpt #: 22 total cpu time spent up to now is 14.3 secs Computing kpt #: 23 total cpu time spent up to now is 15.0 secs Computing kpt #: 24 total cpu time spent up to now is 15.8 secs Computing kpt #: 25 total cpu time spent up to now is 16.5 secs Computing kpt #: 26 total cpu time spent up to now is 17.2 secs Computing kpt #: 27 total cpu time spent up to now is 17.9 secs Computing kpt #: 28 total cpu time spent up to now is 18.9 secs Computing kpt #: 29 total cpu time spent up to now is 19.8 secs Computing kpt #: 30 total cpu time spent up to now is 20.8 secs Computing kpt #: 31 total cpu time spent up to now is 21.7 secs Computing kpt #: 32 total cpu time spent up to now is 22.7 secs Computing kpt #: 33 total cpu time spent up to now is 23.6 secs Computing kpt #: 34 total cpu time spent up to now is 24.5 secs Computing kpt #: 35 total cpu time spent up to now is 25.3 secs Computing kpt #: 36 total cpu time spent up to now is 26.1 secs Computing kpt #: 37 total cpu time spent up to now is 26.9 secs Computing kpt #: 38 total cpu time spent up to now is 27.6 secs Computing kpt #: 39 total cpu time spent up to now is 28.3 secs Computing kpt #: 40 total cpu time spent up to now is 29.0 secs Computing kpt #: 41 total cpu time spent up to now is 29.7 secs Computing kpt #: 42 total cpu time spent up to now is 30.4 secs Computing kpt #: 43 total cpu time spent up to now is 31.1 secs Computing kpt #: 44 total cpu time spent up to now is 31.8 secs Computing kpt #: 45 total cpu time spent up to now is 32.5 secs Computing kpt #: 46 total cpu time spent up to now is 33.3 secs Computing kpt #: 47 total cpu time spent up to now is 34.0 secs Computing kpt #: 48 total cpu time spent up to now is 34.7 secs Computing kpt #: 49 total cpu time spent up to now is 35.4 secs Computing kpt #: 50 total cpu time spent up to now is 36.1 secs Computing kpt #: 51 total cpu time spent up to now is 36.8 secs Computing kpt #: 52 total cpu time spent up to now is 37.5 secs Computing kpt #: 53 total cpu time spent up to now is 38.3 secs Computing kpt #: 54 total cpu time spent up to now is 39.0 secs Computing kpt #: 55 total cpu time spent up to now is 39.7 secs Computing kpt #: 56 total cpu time spent up to now is 40.4 secs Computing kpt #: 57 total cpu time spent up to now is 41.1 secs Computing kpt #: 58 total cpu time spent up to now is 41.8 secs Computing kpt #: 59 total cpu time spent up to now is 42.5 secs Computing kpt #: 60 total cpu time spent up to now is 43.2 secs Computing kpt #: 61 total cpu time spent up to now is 43.9 secs Computing kpt #: 62 total cpu time spent up to now is 44.6 secs Computing kpt #: 63 total cpu time spent up to now is 45.3 secs Computing kpt #: 64 total cpu time spent up to now is 46.1 secs Computing kpt #: 65 total cpu time spent up to now is 46.8 secs Computing kpt #: 66 total cpu time spent up to now is 47.5 secs Computing kpt #: 67 total cpu time spent up to now is 48.2 secs Computing kpt #: 68 total cpu time spent up to now is 48.9 secs Computing kpt #: 69 total cpu time spent up to now is 49.7 secs Computing kpt #: 70 total cpu time spent up to now is 50.4 secs Computing kpt #: 71 total cpu time spent up to now is 51.1 secs Computing kpt #: 72 total cpu time spent up to now is 51.9 secs Computing kpt #: 73 total cpu time spent up to now is 52.6 secs Computing kpt #: 74 total cpu time spent up to now is 53.4 secs Computing kpt #: 75 total cpu time spent up to now is 54.2 secs Computing kpt #: 76 total cpu time spent up to now is 55.0 secs Computing kpt #: 77 total cpu time spent up to now is 55.9 secs Computing kpt #: 78 total cpu time spent up to now is 56.8 secs Computing kpt #: 79 total cpu time spent up to now is 57.7 secs Computing kpt #: 80 total cpu time spent up to now is 58.7 secs Computing kpt #: 81 total cpu time spent up to now is 59.7 secs Computing kpt #: 82 total cpu time spent up to now is 61.0 secs Computing kpt #: 83 total cpu time spent up to now is 62.1 secs Computing kpt #: 84 total cpu time spent up to now is 63.1 secs Computing kpt #: 85 total cpu time spent up to now is 64.1 secs Computing kpt #: 86 total cpu time spent up to now is 65.1 secs Computing kpt #: 87 total cpu time spent up to now is 66.1 secs Computing kpt #: 88 total cpu time spent up to now is 67.1 secs Computing kpt #: 89 total cpu time spent up to now is 68.0 secs Computing kpt #: 90 total cpu time spent up to now is 68.9 secs Computing kpt #: 91 total cpu time spent up to now is 69.8 secs Computing kpt #: 92 total cpu time spent up to now is 70.8 secs Computing kpt #: 93 total cpu time spent up to now is 71.6 secs Computing kpt #: 94 total cpu time spent up to now is 72.4 secs Computing kpt #: 95 total cpu time spent up to now is 73.2 secs Computing kpt #: 96 total cpu time spent up to now is 74.0 secs Computing kpt #: 97 total cpu time spent up to now is 74.7 secs Computing kpt #: 98 total cpu time spent up to now is 75.5 secs Computing kpt #: 99 total cpu time spent up to now is 76.2 secs Computing kpt #: 100 total cpu time spent up to now is 77.0 secs Computing kpt #: 101 total cpu time spent up to now is 77.7 secs Computing kpt #: 102 total cpu time spent up to now is 78.4 secs Computing kpt #: 103 total cpu time spent up to now is 79.2 secs Computing kpt #: 104 total cpu time spent up to now is 79.9 secs Computing kpt #: 105 total cpu time spent up to now is 80.6 secs Computing kpt #: 106 total cpu time spent up to now is 81.3 secs Computing kpt #: 107 total cpu time spent up to now is 82.1 secs Computing kpt #: 108 total cpu time spent up to now is 82.8 secs Computing kpt #: 109 total cpu time spent up to now is 83.5 secs Computing kpt #: 110 total cpu time spent up to now is 84.2 secs Computing kpt #: 111 total cpu time spent up to now is 85.0 secs Computing kpt #: 112 total cpu time spent up to now is 85.7 secs Computing kpt #: 113 total cpu time spent up to now is 86.4 secs Computing kpt #: 114 total cpu time spent up to now is 87.2 secs Computing kpt #: 115 total cpu time spent up to now is 87.9 secs Computing kpt #: 116 total cpu time spent up to now is 88.7 secs Computing kpt #: 117 total cpu time spent up to now is 89.5 secs Computing kpt #: 118 total cpu time spent up to now is 90.3 secs Computing kpt #: 119 total cpu time spent up to now is 91.1 secs Computing kpt #: 120 total cpu time spent up to now is 91.8 secs Computing kpt #: 121 total cpu time spent up to now is 92.5 secs Computing kpt #: 122 total cpu time spent up to now is 93.2 secs Computing kpt #: 123 total cpu time spent up to now is 93.8 secs Computing kpt #: 124 total cpu time spent up to now is 94.4 secs Computing kpt #: 125 total cpu time spent up to now is 95.0 secs Computing kpt #: 126 total cpu time spent up to now is 95.6 secs Computing kpt #: 127 total cpu time spent up to now is 96.2 secs Computing kpt #: 128 total cpu time spent up to now is 96.8 secs Computing kpt #: 129 total cpu time spent up to now is 97.4 secs Computing kpt #: 130 total cpu time spent up to now is 97.9 secs Computing kpt #: 131 total cpu time spent up to now is 98.5 secs Computing kpt #: 132 total cpu time spent up to now is 99.1 secs Computing kpt #: 133 total cpu time spent up to now is 99.6 secs Computing kpt #: 134 total cpu time spent up to now is 100.2 secs Computing kpt #: 135 total cpu time spent up to now is 100.8 secs Computing kpt #: 136 total cpu time spent up to now is 101.3 secs Computing kpt #: 137 total cpu time spent up to now is 101.9 secs Computing kpt #: 138 total cpu time spent up to now is 102.4 secs Computing kpt #: 139 total cpu time spent up to now is 103.0 secs Computing kpt #: 140 total cpu time spent up to now is 103.5 secs Computing kpt #: 141 total cpu time spent up to now is 104.1 secs Computing kpt #: 142 total cpu time spent up to now is 104.6 secs Computing kpt #: 143 total cpu time spent up to now is 105.2 secs Computing kpt #: 144 total cpu time spent up to now is 105.8 secs Computing kpt #: 145 total cpu time spent up to now is 106.3 secs Computing kpt #: 146 total cpu time spent up to now is 106.9 secs Computing kpt #: 147 total cpu time spent up to now is 107.5 secs Computing kpt #: 148 total cpu time spent up to now is 108.0 secs Computing kpt #: 149 total cpu time spent up to now is 108.6 secs Computing kpt #: 150 total cpu time spent up to now is 109.2 secs Computing kpt #: 151 total cpu time spent up to now is 109.8 secs Computing kpt #: 152 total cpu time spent up to now is 110.3 secs Computing kpt #: 153 total cpu time spent up to now is 110.9 secs Computing kpt #: 154 total cpu time spent up to now is 111.5 secs Computing kpt #: 155 total cpu time spent up to now is 112.1 secs Computing kpt #: 156 total cpu time spent up to now is 112.8 secs Computing kpt #: 157 total cpu time spent up to now is 113.4 secs Computing kpt #: 158 total cpu time spent up to now is 114.0 secs Computing kpt #: 159 total cpu time spent up to now is 114.7 secs Computing kpt #: 160 total cpu time spent up to now is 115.3 secs Computing kpt #: 161 total cpu time spent up to now is 115.9 secs Computing kpt #: 162 total cpu time spent up to now is 116.6 secs Computing kpt #: 163 total cpu time spent up to now is 117.2 secs Computing kpt #: 164 total cpu time spent up to now is 117.9 secs Computing kpt #: 165 total cpu time spent up to now is 118.6 secs Computing kpt #: 166 total cpu time spent up to now is 119.2 secs Computing kpt #: 167 total cpu time spent up to now is 119.9 secs Computing kpt #: 168 total cpu time spent up to now is 120.6 secs Computing kpt #: 169 total cpu time spent up to now is 121.2 secs Computing kpt #: 170 total cpu time spent up to now is 121.8 secs Computing kpt #: 171 total cpu time spent up to now is 122.4 secs Computing kpt #: 172 total cpu time spent up to now is 123.1 secs Computing kpt #: 173 total cpu time spent up to now is 123.7 secs Computing kpt #: 174 total cpu time spent up to now is 124.3 secs Computing kpt #: 175 total cpu time spent up to now is 124.8 secs Computing kpt #: 176 total cpu time spent up to now is 125.4 secs Computing kpt #: 177 total cpu time spent up to now is 126.0 secs Computing kpt #: 178 total cpu time spent up to now is 126.6 secs Computing kpt #: 179 total cpu time spent up to now is 127.2 secs Computing kpt #: 180 total cpu time spent up to now is 127.7 secs Computing kpt #: 181 total cpu time spent up to now is 128.3 secs Computing kpt #: 182 total cpu time spent up to now is 128.9 secs Computing kpt #: 183 total cpu time spent up to now is 129.4 secs Computing kpt #: 184 total cpu time spent up to now is 130.0 secs Computing kpt #: 185 total cpu time spent up to now is 130.5 secs Computing kpt #: 186 total cpu time spent up to now is 131.1 secs Computing kpt #: 187 total cpu time spent up to now is 131.7 secs Computing kpt #: 188 total cpu time spent up to now is 132.2 secs Computing kpt #: 189 total cpu time spent up to now is 132.8 secs Computing kpt #: 190 total cpu time spent up to now is 133.3 secs Computing kpt #: 191 total cpu time spent up to now is 133.9 secs Computing kpt #: 192 total cpu time spent up to now is 134.4 secs Computing kpt #: 193 total cpu time spent up to now is 135.0 secs Computing kpt #: 194 total cpu time spent up to now is 135.6 secs Computing kpt #: 195 total cpu time spent up to now is 136.2 secs Computing kpt #: 196 total cpu time spent up to now is 136.8 secs Computing kpt #: 197 total cpu time spent up to now is 137.4 secs Computing kpt #: 198 total cpu time spent up to now is 138.0 secs Computing kpt #: 199 total cpu time spent up to now is 138.6 secs Computing kpt #: 200 total cpu time spent up to now is 139.2 secs Computing kpt #: 201 total cpu time spent up to now is 139.9 secs Computing kpt #: 202 total cpu time spent up to now is 140.5 secs Computing kpt #: 203 total cpu time spent up to now is 141.2 secs Computing kpt #: 204 total cpu time spent up to now is 141.9 secs Computing kpt #: 205 total cpu time spent up to now is 142.5 secs Computing kpt #: 206 total cpu time spent up to now is 143.2 secs Computing kpt #: 207 total cpu time spent up to now is 143.8 secs Computing kpt #: 208 total cpu time spent up to now is 144.5 secs Computing kpt #: 209 total cpu time spent up to now is 145.1 secs Computing kpt #: 210 total cpu time spent up to now is 145.6 secs Computing kpt #: 211 total cpu time spent up to now is 146.3 secs Computing kpt #: 212 total cpu time spent up to now is 147.0 secs Computing kpt #: 213 total cpu time spent up to now is 147.7 secs Computing kpt #: 214 total cpu time spent up to now is 148.4 secs Computing kpt #: 215 total cpu time spent up to now is 149.0 secs Computing kpt #: 216 total cpu time spent up to now is 149.6 secs Computing kpt #: 217 total cpu time spent up to now is 150.3 secs Computing kpt #: 218 total cpu time spent up to now is 151.0 secs Computing kpt #: 219 total cpu time spent up to now is 151.6 secs Computing kpt #: 220 total cpu time spent up to now is 152.2 secs Computing kpt #: 221 total cpu time spent up to now is 152.9 secs Computing kpt #: 222 total cpu time spent up to now is 153.5 secs Computing kpt #: 223 total cpu time spent up to now is 154.1 secs Computing kpt #: 224 total cpu time spent up to now is 154.7 secs Computing kpt #: 225 total cpu time spent up to now is 155.2 secs Computing kpt #: 226 total cpu time spent up to now is 155.8 secs Computing kpt #: 227 total cpu time spent up to now is 156.4 secs Computing kpt #: 228 total cpu time spent up to now is 157.0 secs Computing kpt #: 229 total cpu time spent up to now is 157.6 secs Computing kpt #: 230 total cpu time spent up to now is 158.1 secs Computing kpt #: 231 total cpu time spent up to now is 158.7 secs Computing kpt #: 232 total cpu time spent up to now is 159.3 secs Computing kpt #: 233 total cpu time spent up to now is 159.9 secs Computing kpt #: 234 total cpu time spent up to now is 160.5 secs Computing kpt #: 235 total cpu time spent up to now is 161.0 secs Computing kpt #: 236 total cpu time spent up to now is 161.6 secs Computing kpt #: 237 total cpu time spent up to now is 162.2 secs Computing kpt #: 238 total cpu time spent up to now is 162.7 secs Computing kpt #: 239 total cpu time spent up to now is 163.3 secs Computing kpt #: 240 total cpu time spent up to now is 163.9 secs Computing kpt #: 241 total cpu time spent up to now is 164.4 secs Computing kpt #: 242 total cpu time spent up to now is 165.0 secs Computing kpt #: 243 total cpu time spent up to now is 165.5 secs Computing kpt #: 244 total cpu time spent up to now is 166.1 secs Computing kpt #: 245 total cpu time spent up to now is 166.7 secs Computing kpt #: 246 total cpu time spent up to now is 167.2 secs Computing kpt #: 247 total cpu time spent up to now is 167.8 secs Computing kpt #: 248 total cpu time spent up to now is 168.4 secs Computing kpt #: 249 total cpu time spent up to now is 169.0 secs Computing kpt #: 250 total cpu time spent up to now is 169.5 secs Computing kpt #: 251 total cpu time spent up to now is 170.1 secs Computing kpt #: 252 total cpu time spent up to now is 170.7 secs Computing kpt #: 253 total cpu time spent up to now is 171.3 secs Computing kpt #: 254 total cpu time spent up to now is 171.9 secs Computing kpt #: 255 total cpu time spent up to now is 172.5 secs Computing kpt #: 256 total cpu time spent up to now is 173.1 secs Computing kpt #: 257 total cpu time spent up to now is 173.8 secs Computing kpt #: 258 total cpu time spent up to now is 174.4 secs Computing kpt #: 259 total cpu time spent up to now is 175.1 secs Computing kpt #: 260 total cpu time spent up to now is 176.8 secs Computing kpt #: 261 total cpu time spent up to now is 177.5 secs Computing kpt #: 262 total cpu time spent up to now is 178.2 secs Computing kpt #: 263 total cpu time spent up to now is 179.0 secs Computing kpt #: 264 total cpu time spent up to now is 179.7 secs Computing kpt #: 265 total cpu time spent up to now is 180.4 secs Computing kpt #: 266 total cpu time spent up to now is 181.1 secs Computing kpt #: 267 total cpu time spent up to now is 182.3 secs Computing kpt #: 268 total cpu time spent up to now is 183.3 secs Computing kpt #: 269 total cpu time spent up to now is 184.3 secs Computing kpt #: 270 total cpu time spent up to now is 185.3 secs Computing kpt #: 271 total cpu time spent up to now is 186.2 secs Computing kpt #: 272 total cpu time spent up to now is 187.1 secs Computing kpt #: 273 total cpu time spent up to now is 188.0 secs Computing kpt #: 274 total cpu time spent up to now is 188.9 secs Computing kpt #: 275 total cpu time spent up to now is 189.6 secs Computing kpt #: 276 total cpu time spent up to now is 190.4 secs Computing kpt #: 277 total cpu time spent up to now is 191.2 secs Computing kpt #: 278 total cpu time spent up to now is 191.9 secs Computing kpt #: 279 total cpu time spent up to now is 192.6 secs Computing kpt #: 280 total cpu time spent up to now is 193.3 secs Computing kpt #: 281 total cpu time spent up to now is 194.1 secs Computing kpt #: 282 total cpu time spent up to now is 194.8 secs Computing kpt #: 283 total cpu time spent up to now is 195.5 secs Computing kpt #: 284 total cpu time spent up to now is 196.3 secs Computing kpt #: 285 total cpu time spent up to now is 197.0 secs Computing kpt #: 286 total cpu time spent up to now is 197.7 secs Computing kpt #: 287 total cpu time spent up to now is 198.5 secs Computing kpt #: 288 total cpu time spent up to now is 199.2 secs Computing kpt #: 289 total cpu time spent up to now is 199.9 secs Computing kpt #: 290 total cpu time spent up to now is 200.6 secs Computing kpt #: 291 total cpu time spent up to now is 201.3 secs Computing kpt #: 292 total cpu time spent up to now is 202.0 secs Computing kpt #: 293 total cpu time spent up to now is 202.7 secs Computing kpt #: 294 total cpu time spent up to now is 203.5 secs Computing kpt #: 295 total cpu time spent up to now is 204.2 secs Computing kpt #: 296 total cpu time spent up to now is 204.9 secs Computing kpt #: 297 total cpu time spent up to now is 205.7 secs Computing kpt #: 298 total cpu time spent up to now is 206.4 secs Computing kpt #: 299 total cpu time spent up to now is 207.1 secs Computing kpt #: 300 total cpu time spent up to now is 207.8 secs Computing kpt #: 301 total cpu time spent up to now is 208.6 secs Computing kpt #: 302 total cpu time spent up to now is 209.3 secs Computing kpt #: 303 total cpu time spent up to now is 210.0 secs Computing kpt #: 304 total cpu time spent up to now is 210.7 secs Computing kpt #: 305 total cpu time spent up to now is 211.4 secs Computing kpt #: 306 total cpu time spent up to now is 212.2 secs Computing kpt #: 307 total cpu time spent up to now is 212.7 secs ethr = 2.78E-08, avg # of iterations = 24.2 total cpu time spent up to now is 212.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7497 PWs) bands (ev): -32.0628 -32.0628 4.1716 4.1716 6.4113 6.4113 6.8621 6.8621 6.8621 6.8621 6.8805 6.8805 7.2447 7.2447 7.2447 7.2447 9.7283 9.7283 9.7283 9.7283 10.2136 10.2136 10.9825 10.9825 10.9825 10.9825 11.7171 11.7171 11.8786 11.8786 12.4111 12.4111 12.4111 12.4111 14.5072 14.5072 14.5072 14.5072 15.1973 15.1973 19.3733 19.3733 19.3733 19.3733 k = 0.0000 0.0125-0.0000 ( 7477 PWs) bands (ev): -32.0628 -32.0628 4.1734 4.1734 6.4123 6.4123 6.8627 6.8627 6.8630 6.8630 6.8812 6.8812 7.2449 7.2449 7.2459 7.2459 9.7276 9.7276 9.7279 9.7279 10.2130 10.2130 10.9813 10.9813 10.9821 10.9821 11.7138 11.7138 11.8773 11.8773 12.4054 12.4054 12.4084 12.4084 14.5032 14.5032 14.5144 14.5144 15.1966 15.1966 19.3734 19.3734 19.3837 19.3837 k = 0.0000 0.0250-0.0000 ( 7477 PWs) bands (ev): -32.0628 -32.0628 4.1786 4.1786 6.4154 6.4154 6.8643 6.8643 6.8656 6.8656 6.8834 6.8834 7.2454 7.2454 7.2494 7.2494 9.7254 9.7254 9.7267 9.7267 10.2110 10.2110 10.9776 10.9776 10.9807 10.9807 11.7037 11.7037 11.8734 11.8734 12.3888 12.3888 12.4008 12.4008 14.4902 14.4902 14.5359 14.5359 15.1960 15.1960 19.3734 19.3734 19.4145 19.4145 k = 0.0000 0.0375-0.0000 ( 7469 PWs) bands (ev): -32.0628 -32.0628 4.1872 4.1872 6.4206 6.4206 6.8669 6.8669 6.8700 6.8700 6.8871 6.8871 7.2462 7.2462 7.2554 7.2554 9.7218 9.7218 9.7247 9.7247 10.2077 10.2077 10.9715 10.9715 10.9784 10.9784 11.6868 11.6868 11.8670 11.8670 12.3618 12.3618 12.3887 12.3887 14.4646 14.4646 14.5709 14.5709 15.1994 15.1994 19.3735 19.3735 19.4645 19.4645 k = 0.0000 0.0500-0.0000 ( 7457 PWs) bands (ev): -32.0628 -32.0628 4.1993 4.1993 6.4279 6.4279 6.8704 6.8704 6.8762 6.8762 6.8925 6.8925 7.2475 7.2475 7.2636 7.2636 9.7167 9.7167 9.7219 9.7219 10.2031 10.2031 10.9629 10.9629 10.9752 10.9752 11.6628 11.6628 11.8581 11.8581 12.3256 12.3256 12.3731 12.3731 14.4224 14.4224 14.6184 14.6184 15.2118 15.2118 19.3737 19.3737 19.5318 19.5318 k = 0.0000 0.0625-0.0000 ( 7441 PWs) bands (ev): -32.0627 -32.0627 4.2147 4.2147 6.4371 6.4371 6.8746 6.8746 6.8840 6.8840 6.8996 6.8996 7.2491 7.2491 7.2742 7.2742 9.7101 9.7101 9.7183 9.7183 10.1972 10.1972 10.9519 10.9519 10.9709 10.9709 11.6318 11.6318 11.8466 11.8466 12.2816 12.2816 12.3551 12.3551 14.3607 14.3607 14.6771 14.6771 15.2374 15.2374 19.3739 19.3739 19.6141 19.6141 k = 0.0000 0.0750-0.0000 ( 7433 PWs) bands (ev): -32.0627 -32.0627 4.2336 4.2336 6.4483 6.4483 6.8794 6.8794 6.8936 6.8936 6.9085 6.9085 7.2512 7.2512 7.2872 7.2872 9.7022 9.7022 9.7140 9.7140 10.1901 10.1901 10.9385 10.9385 10.9656 10.9656 11.5935 11.5935 11.8326 11.8326 12.2310 12.2310 12.3358 12.3358 14.2785 14.2785 14.7459 14.7459 15.2781 15.2781 19.3742 19.3742 19.7090 19.7090 k = 0.0000 0.0875-0.0000 ( 7429 PWs) bands (ev): -32.0627 -32.0627 4.2558 4.2558 6.4615 6.4615 6.8849 6.8849 6.9049 6.9049 6.9192 6.9192 7.2538 7.2538 7.3024 7.3024 9.6927 9.6927 9.7089 9.7089 10.1817 10.1817 10.9228 10.9228 10.9591 10.9591 11.5482 11.5482 11.8159 11.8160 12.1753 12.1753 12.3162 12.3162 14.1775 14.1775 14.8234 14.8234 15.3336 15.3336 19.3746 19.3746 19.8138 19.8138 k = 0.0000 0.1000-0.0000 ( 7433 PWs) bands (ev): -32.0627 -32.0627 4.2814 4.2814 6.4765 6.4765 6.8910 6.8910 6.9178 6.9178 6.9316 6.9316 7.2570 7.2570 7.3198 7.3198 9.6818 9.6818 9.7031 9.7031 10.1721 10.1721 10.9047 10.9047 10.9514 10.9514 11.4962 11.4962 11.7968 11.7968 12.1158 12.1158 12.2970 12.2970 14.0601 14.0601 14.9085 14.9085 15.4024 15.4024 19.3750 19.3750 19.9260 19.9260 k = 0.0000 0.1125-0.0000 ( 7429 PWs) bands (ev): -32.0627 -32.0627 4.3101 4.3101 6.4934 6.4934 6.8975 6.8975 6.9324 6.9324 6.9459 6.9459 7.2608 7.2608 7.3395 7.3395 9.6694 9.6694 9.6965 9.6965 10.1613 10.1613 10.8843 10.8843 10.9424 10.9424 11.4380 11.4380 11.7750 11.7750 12.0538 12.0538 12.2787 12.2787 13.9294 13.9294 15.0002 15.0002 15.4827 15.4827 19.3756 19.3756 20.0431 20.0431 k = 0.0000 0.1250-0.0000 ( 7441 PWs) bands (ev): -32.0627 -32.0627 4.3421 4.3421 6.5120 6.5120 6.9047 6.9047 6.9485 6.9485 6.9618 6.9618 7.2654 7.2654 7.3613 7.3613 9.6556 9.6556 9.6893 9.6893 10.1494 10.1494 10.8617 10.8617 10.9319 10.9320 11.3741 11.3741 11.7504 11.7504 11.9906 11.9906 12.2616 12.2616 13.7880 13.7880 15.0975 15.0975 15.5728 15.5728 19.3763 19.3763 20.1629 20.1629 k = 0.0000 0.1375-0.0000 ( 7428 PWs) bands (ev): -32.0627 -32.0627 4.3773 4.3773 6.5322 6.5322 6.9123 6.9123 6.9661 6.9661 6.9795 6.9795 7.2708 7.2708 7.3852 7.3852 9.6402 9.6402 9.6815 9.6815 10.1363 10.1363 10.8369 10.8369 10.9199 10.9199 11.3053 11.3053 11.7229 11.7229 11.9273 11.9273 12.2457 12.2457 13.6384 13.6384 15.1999 15.1999 15.6711 15.6711 19.3772 19.3772 20.2832 20.2832 k = 0.0000 0.1500-0.0000 ( 7452 PWs) bands (ev): -32.0627 -32.0627 4.4155 4.4155 6.5539 6.5539 6.9205 6.9205 6.9852 6.9852 6.9987 6.9987 7.2772 7.2772 7.4112 7.4112 9.6234 9.6234 9.6729 9.6729 10.1222 10.1222 10.8100 10.8100 10.9060 10.9060 11.2323 11.2323 11.6921 11.6921 11.8653 11.8653 12.2310 12.2310 13.4827 13.4827 15.3065 15.3065 15.7763 15.7763 19.3782 19.3782 20.4022 20.4022 k = 0.0000 0.1625-0.0000 ( 7452 PWs) bands (ev): -32.0626 -32.0626 4.4566 4.4566 6.5769 6.5769 6.9290 6.9290 7.0057 7.0057 7.0196 7.0196 7.2848 7.2848 7.4390 7.4390 9.6050 9.6050 9.6638 9.6638 10.1070 10.1070 10.7808 10.7808 10.8902 10.8902 11.1561 11.1561 11.6574 11.6574 11.8060 11.8060 12.2171 12.2171 13.3225 13.3225 15.4168 15.4168 15.8876 15.8876 19.3794 19.3794 20.5182 20.5182 k = 0.0000 0.1750-0.0000 ( 7444 PWs) bands (ev): -32.0626 -32.0626 4.5007 4.5007 6.6013 6.6013 6.9380 6.9380 7.0275 7.0275 7.0420 7.0420 7.2938 7.2938 7.4687 7.4687 9.5850 9.5850 9.6541 9.6541 10.0909 10.0909 10.7495 10.7495 10.8723 10.8723 11.0773 11.0773 11.6182 11.6182 11.7508 11.7508 12.2038 12.2038 13.1597 13.1597 15.5304 15.5304 16.0040 16.0040 19.3809 19.3809 20.6299 20.6299 k = 0.0000 0.1875-0.0000 ( 7444 PWs) bands (ev): -32.0626 -32.0626 4.5475 4.5475 6.6266 6.6266 6.9474 6.9474 7.0506 7.0506 7.0658 7.0658 7.3043 7.3043 7.5000 7.5000 9.5633 9.5633 9.6438 9.6438 10.0738 10.0738 10.7158 10.7158 10.8521 10.8521 10.9968 10.9968 11.5741 11.5741 11.7009 11.7009 12.1905 12.1905 12.9958 12.9958 15.6470 15.6470 16.1249 16.1249 19.3825 19.3825 20.7360 20.7360 k = 0.0000 0.2000-0.0000 ( 7436 PWs) bands (ev): -32.0626 -32.0626 4.5969 4.5969 6.6529 6.6529 6.9571 6.9571 7.0747 7.0747 7.0912 7.0912 7.3166 7.3166 7.5330 7.5330 9.5400 9.5400 9.6329 9.6329 10.0559 10.0559 10.6794 10.6794 10.8295 10.8295 10.9156 10.9156 11.5257 11.5257 11.6562 11.6562 12.1763 12.1763 12.8326 12.8326 15.7660 15.7660 16.2499 16.2499 19.3844 19.3844 20.8357 20.8357 k = 0.0000 0.2125-0.0000 ( 7440 PWs) bands (ev): -32.0626 -32.0626 4.6489 4.6489 6.6797 6.6797 6.9671 6.9671 7.0998 7.0998 7.1179 7.1179 7.3311 7.3311 7.5673 7.5673 9.5150 9.5150 9.6215 9.6215 10.0372 10.0372 10.6395 10.6395 10.8045 10.8045 10.8352 10.8352 11.4745 11.4745 11.6160 11.6160 12.1595 12.1595 12.6729 12.6729 15.8873 15.8873 16.3783 16.3783 19.3866 19.3866 20.9283 20.9283 k = 0.0000 0.2250-0.0000 ( 7448 PWs) bands (ev): -32.0625 -32.0625 4.7032 4.7032 6.7069 6.7069 6.9774 6.9774 7.1260 7.1260 7.1460 7.1460 7.3478 7.3478 7.6029 7.6029 9.4881 9.4881 9.6095 9.6095 10.0179 10.0179 10.5945 10.5945 10.7576 10.7576 10.7771 10.7771 11.4218 11.4218 11.5793 11.5793 12.1360 12.1360 12.5213 12.5213 16.0106 16.0106 16.5099 16.5099 19.3890 19.3890 21.0134 21.0134 k = 0.0000 0.2375-0.0000 ( 7448 PWs) bands (ev): -32.0625 -32.0625 4.7596 4.7596 6.7343 6.7343 6.9878 6.9878 7.1530 7.1530 7.1754 7.1754 7.3672 7.3672 7.6397 7.6397 9.4593 9.4593 9.5969 9.5969 9.9981 9.9981 10.5418 10.5418 10.6860 10.6860 10.7474 10.7474 11.3688 11.3688 11.5453 11.5453 12.0960 12.0960 12.3885 12.3885 16.1355 16.1355 16.6444 16.6444 19.3917 19.3917 21.0909 21.0909 k = 0.0000 0.2500-0.0000 ( 7464 PWs) bands (ev): -32.0625 -32.0625 4.8180 4.8180 6.7614 6.7614 6.9983 6.9983 7.1809 7.1809 7.2059 7.2059 7.3894 7.3894 7.6772 7.6772 9.4285 9.4285 9.5837 9.5837 9.9779 9.9779 10.4787 10.4787 10.6235 10.6235 10.7158 10.7158 11.3158 11.3158 11.5137 11.5137 12.0213 12.0213 12.2934 12.2934 16.2619 16.2619 16.7815 16.7815 19.3947 19.3947 21.1609 21.1609 k = 0.0000 0.2625-0.0000 ( 7464 PWs) bands (ev): -32.0625 -32.0625 4.8780 4.8780 6.7880 6.7880 7.0090 7.0090 7.2097 7.2097 7.2376 7.2376 7.4146 7.4146 7.7155 7.7155 9.3957 9.3957 9.5697 9.5697 9.9575 9.9575 10.4053 10.4053 10.5702 10.5702 10.6826 10.6826 11.2631 11.2631 11.4846 11.4846 11.9072 11.9072 12.2415 12.2415 16.3895 16.3895 16.9209 16.9209 19.3979 19.3979 21.2235 21.2235 k = 0.0000 0.2750-0.0000 ( 7460 PWs) bands (ev): -32.0625 -32.0625 4.9395 4.9395 6.8139 6.8139 7.0196 7.0196 7.2397 7.2397 7.2702 7.2702 7.4428 7.4428 7.7541 7.7541 9.3607 9.3607 9.5550 9.5550 9.9373 9.9373 10.3246 10.3246 10.5236 10.5236 10.6484 10.6484 11.2105 11.2105 11.4578 11.4578 11.7724 11.7724 12.2147 12.2147 16.5181 16.5181 17.0625 17.0625 19.4014 19.4014 21.2793 21.2793 k = 0.0000 0.2875-0.0000 ( 7452 PWs) bands (ev): -32.0624 -32.0624 5.0022 5.0022 6.8387 6.8387 7.0302 7.0302 7.2709 7.2709 7.3038 7.3038 7.4741 7.4741 7.7929 7.7929 9.3235 9.3235 9.5394 9.5394 9.9176 9.9176 10.2393 10.2393 10.4810 10.4810 10.6137 10.6137 11.1579 11.1579 11.4334 11.4334 11.6319 11.6319 12.1989 12.1989 16.6474 16.6474 17.2060 17.2060 19.4052 19.4052 21.3286 21.3286 k = 0.0000 0.3000-0.0000 ( 7452 PWs) bands (ev): -32.0624 -32.0624 5.0657 5.0657 6.8623 6.8623 7.0406 7.0406 7.3035 7.3035 7.3381 7.3381 7.5085 7.5085 7.8315 7.8315 9.2841 9.2841 9.5227 9.5227 9.8987 9.8987 10.1511 10.1511 10.4410 10.4410 10.5789 10.5789 11.1052 11.1052 11.4115 11.4115 11.4923 11.4923 12.1883 12.1883 16.7772 16.7772 17.3514 17.3514 19.4092 19.4092 21.3719 21.3719 k = 0.0000 0.3125-0.0000 ( 7476 PWs) bands (ev): -32.0624 -32.0624 5.1296 5.1296 6.8845 6.8845 7.0509 7.0509 7.3377 7.3377 7.3731 7.3731 7.5457 7.5457 7.8696 7.8696 9.2424 9.2424 9.5049 9.5049 9.8811 9.8811 10.0610 10.0610 10.4029 10.4029 10.5448 10.5448 11.0522 11.0522 11.3568 11.3568 11.3919 11.3919 12.1804 12.1804 16.9071 16.9071 17.4985 17.4985 19.4134 19.4134 21.4098 21.4098 k = 0.0000 0.3250-0.0000 ( 7476 PWs) bands (ev): -32.0624 -32.0624 5.1935 5.1935 6.9052 6.9052 7.0610 7.0610 7.3735 7.3735 7.4085 7.4085 7.5857 7.5857 7.9069 7.9069 9.1985 9.1985 9.4859 9.4859 9.8653 9.8653 9.9693 9.9693 10.3662 10.3662 10.5117 10.5117 10.9990 10.9990 11.2273 11.2273 11.3746 11.3746 12.1742 12.1742 17.0369 17.0369 17.6471 17.6471 19.4177 19.4177 21.4428 21.4428 k = 0.0000 0.3375-0.0000 ( 7472 PWs) bands (ev): -32.0624 -32.0624 5.2570 5.2570 6.9244 6.9244 7.0707 7.0707 7.4110 7.4110 7.4442 7.4442 7.6283 7.6283 7.9430 7.9430 9.1524 9.1524 9.4657 9.4657 9.8516 9.8516 9.8763 9.8763 10.3309 10.3309 10.4801 10.4801 10.9456 10.9456 11.1052 11.1052 11.3594 11.3594 12.1692 12.1692 17.1662 17.1662 17.7971 17.7971 19.4221 19.4221 21.3632 21.3632 k = 0.0000 0.3500-0.0000 ( 7464 PWs) bands (ev): -32.0624 -32.0624 5.3195 5.3195 6.9421 6.9421 7.0800 7.0800 7.4501 7.4501 7.4800 7.4800 7.6735 7.6735 7.9775 7.9775 9.1041 9.1041 9.4443 9.4443 9.7822 9.7822 9.8406 9.8406 10.2970 10.2970 10.4502 10.4502 10.8923 10.8923 10.9915 10.9915 11.3461 11.3461 12.1650 12.1650 17.2945 17.2945 17.9485 17.9485 19.4265 19.4265 21.2577 21.2577 k = 0.0000 0.3625-0.0000 ( 7460 PWs) bands (ev): -32.0623 -32.0623 5.3804 5.3804 6.9585 6.9585 7.0890 7.0890 7.4905 7.4905 7.5155 7.5155 7.7211 7.7211 8.0101 8.0101 9.0539 9.0539 9.4219 9.4219 9.6875 9.6875 9.8325 9.8325 10.2643 10.2643 10.4224 10.4224 10.8393 10.8393 10.8870 10.8870 11.3345 11.3345 12.1615 12.1615 17.4214 17.4214 18.1011 18.1011 19.4307 19.4307 21.1522 21.1522 k = 0.0000 0.3750-0.0000 ( 7464 PWs) bands (ev): -32.0623 -32.0623 5.4393 5.4393 6.9736 6.9736 7.0973 7.0973 7.5319 7.5319 7.5506 7.5506 7.7710 7.7710 8.0404 8.0404 9.0017 9.0017 9.3989 9.3989 9.5924 9.5924 9.8275 9.8275 10.2330 10.2330 10.3968 10.3968 10.7870 10.7870 10.7925 10.7925 11.3245 11.3245 12.1585 12.1585 17.5461 17.5461 18.2548 18.2548 19.4348 19.4348 21.0472 21.0472 k = 0.0000 0.3875-0.0000 ( 7472 PWs) bands (ev): -32.0623 -32.0623 5.4954 5.4954 6.9874 6.9874 7.1052 7.1052 7.5740 7.5740 7.5848 7.5848 7.8232 7.8232 8.0680 8.0680 8.9479 8.9479 9.3758 9.3758 9.4978 9.4978 9.8256 9.8256 10.2031 10.2031 10.3734 10.3734 10.7083 10.7083 10.7357 10.7357 11.3159 11.3159 12.1559 12.1559 17.6679 17.6679 18.4095 18.4095 19.4385 19.4385 20.9435 20.9435 k = 0.0000 0.4000-0.0000 ( 7480 PWs) bands (ev): -32.0623 -32.0623 5.5480 5.5480 7.0001 7.0001 7.1123 7.1123 7.6163 7.6163 7.6178 7.6178 7.8778 7.8778 8.0927 8.0927 8.8925 8.8925 9.3529 9.3529 9.4045 9.4045 9.8269 9.8269 10.1747 10.1747 10.3524 10.3524 10.6347 10.6347 10.6861 10.6861 11.3086 11.3086 12.1537 12.1537 17.7858 17.7858 18.5651 18.5651 19.4418 19.4418 20.8421 20.8421 k = 0.0000 0.4125-0.0000 ( 7464 PWs) bands (ev): -32.0623 -32.0623 5.5965 5.5965 7.0117 7.0117 7.1188 7.1188 7.6490 7.6490 7.6580 7.6580 7.9345 7.9345 8.1142 8.1142 8.8356 8.8356 9.3141 9.3141 9.3310 9.3310 9.8309 9.8309 10.1480 10.1480 10.3336 10.3336 10.5714 10.5714 10.6387 10.6387 11.3024 11.3024 12.1518 12.1518 17.8985 17.8985 18.7215 18.7215 19.4444 19.4444 20.7442 20.7442 k = 0.0000 0.4250-0.0000 ( 7472 PWs) bands (ev): -32.0623 -32.0623 5.6402 5.6402 7.0221 7.0221 7.1246 7.1246 7.6780 7.6780 7.6983 7.6983 7.9936 7.9936 8.1324 8.1324 8.7773 8.7773 9.2282 9.2282 9.3106 9.3106 9.8373 9.8373 10.1234 10.1234 10.3172 10.3172 10.5184 10.5184 10.5944 10.5944 11.2972 11.2972 12.1502 12.1502 18.0044 18.0044 18.8784 18.8784 19.4463 19.4463 20.6515 20.6515 k = 0.0000 0.4375-0.0000 ( 7456 PWs) bands (ev): -32.0623 -32.0623 5.6785 5.6785 7.0312 7.0312 7.1295 7.1295 7.7041 7.7041 7.7362 7.7362 8.0549 8.0549 8.1472 8.1472 8.7173 8.7173 9.1488 9.1488 9.2923 9.2923 9.8455 9.8455 10.1012 10.1012 10.3030 10.3030 10.4750 10.4750 10.5541 10.5541 11.2930 11.2930 12.1489 12.1489 18.1016 18.1016 19.0358 19.0358 19.4474 19.4474 20.5661 20.5661 k = 0.0000 0.4500-0.0000 ( 7468 PWs) bands (ev): -32.0623 -32.0623 5.7107 5.7107 7.0389 7.0389 7.1336 7.1336 7.7268 7.7268 7.7704 7.7704 8.1184 8.1184 8.1588 8.1588 8.6555 8.6555 9.0786 9.0786 9.2766 9.2766 9.8545 9.8545 10.0820 10.0820 10.2911 10.2911 10.4407 10.4407 10.5188 10.5188 11.2896 11.2896 12.1479 12.1479 18.1876 18.1876 19.1934 19.1934 19.4476 19.4476 20.4904 20.4907 k = 0.0000 0.4625-0.0000 ( 7480 PWs) bands (ev): -32.0623 -32.0623 5.7363 5.7363 7.0452 7.0452 7.1368 7.1368 7.7454 7.7454 7.7995 7.7995 8.1674 8.1674 8.1839 8.1839 8.5916 8.5916 9.0201 9.0201 9.2639 9.2639 9.8634 9.8634 10.0664 10.0664 10.2814 10.2814 10.4149 10.4149 10.4896 10.4896 11.2870 11.2870 12.1471 12.1471 18.2594 18.2594 19.3504 19.3504 19.4471 19.4471 20.3345 20.3345 k = 0.0000 0.4750-0.0000 ( 7480 PWs) bands (ev): -32.0623 -32.0623 5.7549 5.7549 7.0498 7.0498 7.1392 7.1392 7.7592 7.7592 7.8219 7.8219 8.1732 8.1732 8.2511 8.2511 8.5256 8.5256 8.9761 8.9761 9.2546 9.2546 9.8711 9.8711 10.0548 10.0548 10.2742 10.2742 10.3969 10.3969 10.4678 10.4678 11.2852 11.2852 12.1465 12.1465 18.3140 18.3140 19.4462 19.4462 19.5055 19.5055 20.1787 20.1787 k = 0.0000 0.4875-0.0000 ( 7472 PWs) bands (ev): -32.0623 -32.0623 5.7662 5.7662 7.0526 7.0526 7.1406 7.1406 7.7678 7.7678 7.8360 7.8360 8.1766 8.1766 8.3196 8.3196 8.4580 8.4580 8.9487 8.9487 9.2489 9.2489 9.8762 9.8762 10.0476 10.0476 10.2698 10.2698 10.3863 10.3863 10.4542 10.4542 11.2841 11.2841 12.1462 12.1462 18.3482 18.3482 19.4454 19.4454 19.6525 19.6525 20.0313 20.0313 k = 0.0000 0.5000-0.0000 ( 7464 PWs) bands (ev): -32.0623 -32.0623 5.7700 5.7700 7.0535 7.0535 7.1410 7.1410 7.7706 7.7706 7.8409 7.8409 8.1777 8.1777 8.3836 8.3836 8.3942 8.3942 8.9394 8.9394 9.2470 9.2470 9.8780 9.8780 10.0452 10.0452 10.2682 10.2682 10.3828 10.3828 10.4496 10.4496 11.2838 11.2838 12.1461 12.1461 18.3599 18.3599 19.4451 19.4451 19.7416 19.7416 19.9421 19.9421 k = 0.0000 0.5000-0.0000 ( 7464 PWs) bands (ev): -32.0623 -32.0623 5.7700 5.7700 7.0535 7.0535 7.1410 7.1410 7.7706 7.7706 7.8409 7.8409 8.1777 8.1777 8.3836 8.3836 8.3942 8.3942 8.9394 8.9394 9.2470 9.2470 9.8780 9.8780 10.0452 10.0452 10.2682 10.2682 10.3828 10.3828 10.4496 10.4496 11.2838 11.2838 12.1461 12.1461 18.3599 18.3599 19.4451 19.4451 19.7416 19.7416 19.9421 19.9421 k = 0.0125 0.5000-0.0000 ( 7480 PWs) bands (ev): -32.0623 -32.0623 5.7716 5.7716 7.0546 7.0546 7.1417 7.1417 7.7677 7.7677 7.8432 7.8432 8.1763 8.1763 8.3746 8.3746 8.4039 8.4039 8.9384 8.9384 9.2465 9.2465 9.8781 9.8781 10.0437 10.0437 10.2712 10.2712 10.3852 10.3852 10.4498 10.4498 11.2836 11.2836 12.1433 12.1433 18.3440 18.3440 19.4003 19.4003 19.7987 19.7987 19.9317 19.9317 k = 0.0250 0.5000-0.0000 ( 7488 PWs) bands (ev): -32.0623 -32.0623 5.7765 5.7765 7.0577 7.0577 7.1438 7.1438 7.7597 7.7597 7.8491 7.8491 8.1721 8.1721 8.3623 8.3623 8.4183 8.4183 8.9355 8.9355 9.2452 9.2452 9.8781 9.8781 10.0398 10.0398 10.2796 10.2796 10.3924 10.3924 10.4504 10.4504 11.2832 11.2832 12.1350 12.1350 18.2954 18.2954 19.3208 19.3208 19.8891 19.8891 19.9223 19.9223 k = 0.0375 0.5000-0.0000 ( 7482 PWs) bands (ev): -32.0623 -32.0623 5.7845 5.7845 7.0629 7.0629 7.1472 7.1472 7.7483 7.7483 7.8571 7.8571 8.1655 8.1655 8.3499 8.3499 8.4338 8.4338 8.9307 8.9307 9.2429 9.2429 9.8780 9.8780 10.0343 10.0343 10.2916 10.2916 10.4049 10.4049 10.4516 10.4516 11.2826 11.2826 12.1214 12.1214 18.2131 18.2131 19.2528 19.2528 19.8265 19.8265 20.0418 20.0418 k = 0.0500 0.5000-0.0000 ( 7474 PWs) bands (ev): -32.0623 -32.0623 5.7957 5.7957 7.0701 7.0701 7.1520 7.1520 7.7347 7.7347 7.8660 7.8660 8.1569 8.1569 8.3375 8.3375 8.4501 8.4501 8.9244 8.9244 9.2397 9.2397 9.8777 9.8777 10.0286 10.0286 10.3051 10.3051 10.4230 10.4230 10.4538 10.4538 11.2819 11.2819 12.1024 12.1024 18.0989 18.0989 19.2077 19.2077 19.7276 19.7276 20.1364 20.1364 k = 0.0625 0.5000-0.0000 ( 7478 PWs) bands (ev): -32.0623 -32.0623 5.8101 5.8101 7.0794 7.0794 7.1581 7.1581 7.7193 7.7193 7.8751 7.8751 8.1469 8.1469 8.3249 8.3249 8.4670 8.4670 8.9168 8.9168 9.2356 9.2356 9.8767 9.8767 10.0237 10.0237 10.3185 10.3185 10.4425 10.4425 10.4615 10.4615 11.2812 11.2812 12.0783 12.0783 17.9581 17.9581 19.1832 19.1832 19.6061 19.6061 20.1787 20.1787 k = 0.0750 0.5000-0.0000 ( 7484 PWs) bands (ev): -32.0622 -32.0622 5.8276 5.8276 7.0906 7.0906 7.1655 7.1655 7.7026 7.7026 7.8842 7.8842 8.1359 8.1359 8.3118 8.3118 8.4844 8.4844 8.9083 8.9083 9.2305 9.2305 9.8749 9.8749 10.0204 10.0204 10.3309 10.3309 10.4503 10.4503 10.4873 10.4873 11.2806 11.2806 12.0494 12.0494 17.7974 17.7974 19.1671 19.1671 19.4797 19.4797 20.2007 20.2007 k = 0.0875 0.5000-0.0000 ( 7472 PWs) bands (ev): -32.0622 -32.0622 5.8482 5.8482 7.1037 7.1037 7.1743 7.1743 7.6847 7.6847 7.8928 7.8928 8.1244 8.1244 8.2982 8.2982 8.5021 8.5021 8.8991 8.8991 9.2246 9.2246 9.8721 9.8721 10.0192 10.0192 10.3422 10.3422 10.4529 10.4529 10.5238 10.5238 11.2805 11.2805 12.0159 12.0159 17.6231 17.6231 19.1263 19.1263 19.3838 19.3838 20.2220 20.2220 k = 0.1000 0.5000-0.0000 ( 7484 PWs) bands (ev): -32.0622 -32.0622 5.8718 5.8718 7.1186 7.1186 7.1843 7.1843 7.6659 7.6659 7.9009 7.9009 8.1128 8.1128 8.2841 8.2841 8.5199 8.5199 8.8897 8.8897 9.2178 9.2178 9.8682 9.8682 10.0202 10.0202 10.3525 10.3525 10.4545 10.4545 10.5657 10.5657 11.2810 11.2810 11.9782 11.9782 17.4399 17.4399 19.0199 19.0199 19.3599 19.3599 20.2465 20.2465 k = 0.1125 0.5000-0.0000 ( 7480 PWs) bands (ev): -32.0622 -32.0622 5.8984 5.8984 7.1353 7.1353 7.1957 7.1957 7.6462 7.6462 7.9083 7.9083 8.1014 8.1014 8.2695 8.2695 8.5377 8.5377 8.8804 8.8804 9.2103 9.2103 9.8634 9.8634 10.0232 10.0232 10.3619 10.3619 10.4556 10.4556 10.6114 10.6114 11.2826 11.2826 11.9365 11.9365 17.2514 17.2514 18.8687 18.8687 19.3876 19.3876 20.2749 20.2749 k = 0.1250 0.5000-0.0000 ( 7474 PWs) bands (ev): -32.0622 -32.0622 5.9279 5.9279 7.1535 7.1535 7.2084 7.2084 7.6258 7.6258 7.9148 7.9148 8.0905 8.0905 8.2547 8.2547 8.5553 8.5553 8.8715 8.8715 9.2022 9.2022 9.8579 9.8579 10.0279 10.0279 10.3706 10.3706 10.4562 10.4562 10.6597 10.6597 11.2857 11.2857 11.8912 11.8912 17.0599 17.0599 18.7003 18.7003 19.4389 19.4389 20.3073 20.3073 k = 0.1375 0.5000-0.0000 ( 7476 PWs) bands (ev): -32.0622 -32.0622 5.9602 5.9602 7.1729 7.1729 7.2224 7.2224 7.6050 7.6050 7.9201 7.9201 8.0802 8.0802 8.2400 8.2400 8.5723 8.5723 8.8633 8.8633 9.1935 9.1935 9.8520 9.8520 10.0338 10.0338 10.3783 10.3783 10.4563 10.4563 10.7098 10.7098 11.2907 11.2907 11.8428 11.8428 16.8674 16.8674 18.5246 18.5246 19.5038 19.5038 20.3436 20.3436 k = 0.1500 0.5000-0.0000 ( 7480 PWs) bands (ev): -32.0622 -32.0622 5.9952 5.9952 7.1932 7.1932 7.2380 7.2380 7.5839 7.5839 7.9241 7.9241 8.0705 8.0705 8.2256 8.2256 8.5886 8.5886 8.8563 8.8563 9.1845 9.1845 9.8459 9.8459 10.0404 10.0404 10.3849 10.3849 10.4560 10.4560 10.7605 10.7605 11.2985 11.2985 11.7917 11.7917 16.6752 16.6752 18.3453 18.3453 19.5785 19.5785 20.3836 20.3836 k = 0.1625 0.5000-0.0000 ( 7486 PWs) bands (ev): -32.0622 -32.0622 6.0328 6.0328 7.2137 7.2137 7.2554 7.2554 7.5629 7.5629 7.9267 7.9267 8.0615 8.0615 8.2122 8.2122 8.6038 8.6038 8.8507 8.8507 9.1753 9.1753 9.8400 9.8400 10.0472 10.0472 10.3900 10.3900 10.4555 10.4555 10.8107 10.8107 11.3099 11.3099 11.7382 11.7382 16.4845 16.4845 18.1640 18.1640 19.6610 19.6610 20.4273 20.4273 k = 0.1750 0.5000-0.0000 ( 7482 PWs) bands (ev): -32.0622 -32.0622 6.0730 6.0730 7.2336 7.2336 7.2751 7.2751 7.5425 7.5425 7.9277 7.9277 8.0527 8.0527 8.2003 8.2003 8.6174 8.6174 8.8470 8.8470 9.1660 9.1660 9.8343 9.8343 10.0538 10.0538 10.3929 10.3929 10.4555 10.4555 10.8590 10.8590 11.3260 11.3260 11.6830 11.6830 16.2961 16.2961 17.9817 17.9817 19.7501 19.7501 20.4745 20.4745 k = 0.1875 0.5000-0.0000 ( 7482 PWs) bands (ev): -32.0622 -32.0622 6.1154 6.1154 7.2520 7.2520 7.2972 7.2972 7.5233 7.5233 7.9271 7.9271 8.0439 8.0439 8.1906 8.1906 8.6290 8.6290 8.8454 8.8454 9.1567 9.1567 9.8290 9.8290 10.0598 10.0598 10.3927 10.3927 10.4567 10.4567 10.9036 10.9036 11.3478 11.3478 11.6266 11.6266 16.1108 16.1108 17.7991 17.7991 19.8449 19.8449 20.5252 20.5252 k = 0.2000 0.5000-0.0000 ( 7476 PWs) bands (ev): -32.0622 -32.0622 6.1601 6.1601 7.2680 7.2680 7.3217 7.3217 7.5063 7.5063 7.9251 7.9251 8.0348 8.0348 8.1834 8.1834 8.6384 8.6384 8.8463 8.8463 9.1477 9.1477 9.8242 9.8242 10.0647 10.0647 10.3887 10.3887 10.4598 10.4598 10.9429 10.9429 11.3761 11.3761 11.5704 11.5704 15.9293 15.9293 17.6165 17.6165 19.9446 19.9446 20.5794 20.5794 k = 0.2125 0.5000-0.0000 ( 7488 PWs) bands (ev): -32.0622 -32.0622 6.2067 6.2067 7.2808 7.2808 7.3477 7.3477 7.4930 7.4930 7.9217 7.9217 8.0249 8.0249 8.1792 8.1792 8.6453 8.6453 8.8497 8.8497 9.1390 9.1390 9.8200 9.8200 10.0683 10.0683 10.3809 10.3809 10.4647 10.4647 10.9755 10.9755 11.4083 11.4083 11.5182 11.5182 15.7523 15.7523 17.4344 17.4344 20.0487 20.0487 20.6370 20.6370 k = 0.2250 0.5000-0.0000 ( 7480 PWs) bands (ev): -32.0621 -32.0621 6.2552 6.2552 7.2892 7.2892 7.3743 7.3743 7.4853 7.4853 7.9174 7.9174 8.0145 8.0145 8.1780 8.1780 8.6497 8.6497 8.8553 8.8553 9.1311 9.1311 9.8162 9.8162 10.0703 10.0703 10.3698 10.3698 10.4712 10.4712 11.0005 11.0005 11.4182 11.4182 11.4972 11.4972 15.5804 15.5804 17.2529 17.2529 20.1565 20.1565 20.6978 20.6978 k = 0.2375 0.5000-0.0000 ( 7480 PWs) bands (ev): -32.0621 -32.0621 6.3052 6.3052 7.2921 7.2921 7.4001 7.4001 7.4860 7.4860 7.9121 7.9121 8.0037 8.0037 8.1795 8.1795 8.6520 8.6520 8.8627 8.8627 9.1240 9.1240 9.8129 9.8129 10.0704 10.0704 10.3559 10.3559 10.4789 10.4789 11.0179 11.0179 11.3764 11.3764 11.5371 11.5371 15.4140 15.4140 17.0723 17.0723 20.2676 20.2676 20.7620 20.7620 k = 0.2500 0.5000-0.0000 ( 7482 PWs) bands (ev): -32.0621 -32.0621 6.3565 6.3565 7.2888 7.2888 7.4237 7.4237 7.4966 7.4966 7.9062 7.9062 7.9929 7.9929 8.1833 8.1833 8.6525 8.6525 8.8711 8.8711 9.1181 9.1181 9.8101 9.8101 10.0682 10.0682 10.3397 10.3397 10.4875 10.4875 11.0278 11.0278 11.3227 11.3227 11.5977 11.5977 15.2538 15.2538 16.8928 16.8928 20.3813 20.3813 20.8294 20.8294 k = 0.2625 0.5000-0.0000 ( 7484 PWs) bands (ev): -32.0621 -32.0621 6.4088 6.4088 7.2800 7.2800 7.4448 7.4448 7.5167 7.5167 7.8998 7.8998 7.9828 7.9828 8.1890 8.1890 8.6517 8.6517 8.8796 8.8796 9.1140 9.1140 9.8076 9.8076 10.0634 10.0634 10.3219 10.3219 10.4966 10.4966 11.0303 11.0303 11.2690 11.2690 11.6673 11.6673 15.1001 15.1001 16.7145 16.7145 20.4972 20.4972 20.9000 20.9000 k = 0.2750 0.5000-0.0000 ( 7476 PWs) bands (ev): -32.0621 -32.0621 6.4618 6.4618 7.2672 7.2672 7.4647 7.4647 7.5431 7.5431 7.8932 7.8932 7.9739 7.9739 8.1962 8.1962 8.6501 8.6501 8.8874 8.8874 9.1118 9.1118 9.8054 9.8054 10.0559 10.0559 10.3028 10.3028 10.5062 10.5062 11.0251 11.0251 11.2181 11.2181 11.7434 11.7434 14.9536 14.9536 16.5376 16.5376 20.6146 20.6146 20.9738 20.9738 k = 0.2875 0.5000-0.0000 ( 7484 PWs) bands (ev): -32.0621 -32.0621 6.5151 6.5151 7.2519 7.2519 7.4844 7.4844 7.5728 7.5728 7.8865 7.8865 7.9666 7.9666 8.2046 8.2046 8.6482 8.6482 8.8936 8.8936 9.1122 9.1122 9.8033 9.8033 10.0453 10.0453 10.2830 10.2830 10.5162 10.5162 11.0112 11.0112 11.1723 11.1723 11.8246 11.8246 14.8146 14.8146 16.3623 16.3623 20.7330 20.7330 21.0508 21.0508 k = 0.3000 0.5000-0.0000 ( 7472 PWs) bands (ev): -32.0621 -32.0621 6.5683 6.5683 7.2353 7.2353 7.5043 7.5043 7.6038 7.6038 7.8800 7.8800 7.9617 7.9617 8.2138 8.2138 8.6463 8.6463 8.8976 8.8976 9.1154 9.1154 9.8011 9.8011 10.0315 10.0315 10.2628 10.2628 10.5265 10.5265 10.9878 10.9878 11.1336 11.1336 11.9101 11.9101 14.6836 14.6836 16.1885 16.1885 20.8515 20.8515 21.1312 21.1312 k = 0.3125 0.5000-0.0000 ( 7480 PWs) bands (ev): -32.0621 -32.0621 6.6209 6.6209 7.2182 7.2182 7.5245 7.5245 7.6346 7.6346 7.8740 7.8740 7.9595 7.9595 8.2237 8.2237 8.6447 8.6447 8.8988 8.8988 9.1215 9.1215 9.7987 9.7987 10.0144 10.0144 10.2427 10.2427 10.5370 10.5370 10.9554 10.9554 11.1020 11.1020 11.9996 11.9996 14.5608 14.5608 16.0166 16.0166 20.9695 20.9695 21.2149 21.2149 k = 0.3250 0.5000-0.0000 ( 7480 PWs) bands (ev): -32.0621 -32.0621 6.6726 6.6726 7.2011 7.2011 7.5446 7.5446 7.6640 7.6640 7.8687 7.8687 7.9609 7.9609 8.2340 8.2340 8.6438 8.6438 8.8973 8.8973 9.1303 9.1303 9.7958 9.7958 9.9942 9.9942 10.2228 10.2228 10.5477 10.5477 10.9170 10.9170 11.0752 11.0752 12.0926 12.0926 14.4467 14.4467 15.8465 15.8465 21.0858 21.0858 21.3022 21.3022 k = 0.3375 0.5000-0.0000 ( 7480 PWs) bands (ev): -32.0621 -32.0621 6.7228 6.7228 7.1843 7.1843 7.5645 7.5645 7.6909 7.6909 7.8641 7.8641 7.9666 7.9666 8.2446 8.2446 8.6437 8.6437 8.8931 8.8931 9.1416 9.1416 9.7922 9.7922 9.9712 9.9712 10.2034 10.2034 10.5586 10.5586 10.8759 10.8759 11.0507 11.0507 12.1888 12.1888 14.3413 14.3413 15.6783 15.6783 21.1995 21.1995 21.3932 21.3932 k = 0.3500 0.5000-0.0000 ( 7480 PWs) bands (ev): -32.0620 -32.0620 6.7710 6.7710 7.1682 7.1682 7.5838 7.5838 7.7143 7.7143 7.8604 7.8604 7.9775 7.9775 8.2554 8.2554 8.6445 8.6445 8.8865 8.8865 9.1547 9.1547 9.7877 9.7877 9.9459 9.9459 10.1844 10.1844 10.5697 10.5697 10.8346 10.8346 11.0265 11.0265 12.2882 12.2882 14.2448 14.2448 15.5122 15.5122 21.3094 21.3094 21.4882 21.4882 k = 0.3625 0.5000-0.0000 ( 7490 PWs) bands (ev): -32.0620 -32.0620 6.8166 6.8166 7.1529 7.1529 7.6024 7.6024 7.7338 7.7338 7.8572 7.8572 7.9938 7.9938 8.2664 8.2664 8.6464 8.6464 8.8777 8.8777 9.1693 9.1693 9.7820 9.7820 9.9189 9.9189 10.1658 10.1658 10.5809 10.5809 10.7945 10.7945 11.0018 11.0018 12.3906 12.3906 14.1573 14.1573 15.3482 15.3482 21.4147 21.4147 21.5867 21.5867 k = 0.3750 0.5000-0.0000 ( 7490 PWs) bands (ev): -32.0620 -32.0620 6.8593 6.8593 7.1386 7.1386 7.6201 7.6201 7.7495 7.7495 7.8544 7.8544 8.0153 8.0153 8.2777 8.2777 8.6495 8.6495 8.8671 8.8671 9.1848 9.1848 9.7748 9.7748 9.8911 9.8911 10.1477 10.1477 10.5922 10.5922 10.7567 10.7567 10.9764 10.9764 12.4958 12.4958 14.0787 14.0787 15.1865 15.1865 21.5150 21.5150 21.6882 21.6882 k = 0.3875 0.5000-0.0000 ( 7490 PWs) bands (ev): -32.0620 -32.0620 6.8986 6.8986 7.1255 7.1255 7.6366 7.6366 7.7622 7.7622 7.8518 7.8518 8.0407 8.0407 8.2895 8.2895 8.6536 8.6536 8.8547 8.8547 9.2009 9.2009 9.7658 9.7658 9.8635 9.8635 10.1302 10.1302 10.6036 10.6036 10.7218 10.7218 10.9503 10.9503 12.6040 12.6040 14.0089 14.0089 15.0271 15.0271 21.6101 21.6101 21.7915 21.7915 k = 0.4000 0.5000-0.0000 ( 7480 PWs) bands (ev): -32.0620 -32.0620 6.9341 6.9341 7.1135 7.1135 7.6519 7.6519 7.7726 7.7726 7.8493 7.8493 8.0685 8.0685 8.3022 8.3022 8.6586 8.6586 8.8407 8.8407 9.2170 9.2170 9.7546 9.7546 9.8371 9.8371 10.1132 10.1132 10.6149 10.6149 10.6904 10.6904 10.9239 10.9239 12.7149 12.7149 13.9475 13.9475 14.8700 14.8700 21.7002 21.7002 21.8952 21.8952 k = 0.4125 0.5000-0.0000 ( 7472 PWs) bands (ev): -32.0620 -32.0620 6.9656 6.9656 7.1027 7.1027 7.6658 7.6658 7.7816 7.7816 7.8468 7.8468 8.0965 8.0965 8.3163 8.3163 8.6642 8.6642 8.8253 8.8253 9.2328 9.2328 9.7412 9.7412 9.8132 9.8132 10.0971 10.0971 10.6251 10.6251 10.6637 10.6637 10.8976 10.8976 12.8287 12.8287 13.8945 13.8945 14.7155 14.7155 21.7850 21.7850 21.9984 21.9984 k = 0.4250 0.5000-0.0000 ( 7468 PWs) bands (ev): -32.0620 -32.0620 6.9928 6.9928 7.0933 7.0933 7.6781 7.6781 7.7896 7.7896 7.8443 7.8443 8.1230 8.1230 8.3323 8.3323 8.6703 8.6703 8.8088 8.8088 9.2479 9.2479 9.7256 9.7256 9.7926 9.7926 10.0822 10.0822 10.6258 10.6258 10.6506 10.6506 10.8717 10.8717 12.9453 12.9453 13.8493 13.8493 14.5634 14.5634 21.8643 21.8643 22.1001 22.1001 k = 0.4375 0.5000-0.0000 ( 7456 PWs) bands (ev): -32.0620 -32.0620 7.0157 7.0157 7.0853 7.0853 7.6888 7.6888 7.7969 7.7969 7.8417 7.8417 8.1461 8.1461 8.3505 8.3505 8.6763 8.6763 8.7913 8.7913 9.2620 9.2620 9.7088 9.7088 9.7756 9.7756 10.0686 10.0686 10.6099 10.6099 10.6582 10.6582 10.8466 10.8466 13.0646 13.0646 13.8119 13.8119 14.4139 14.4139 21.9372 21.9372 22.1994 22.1994 k = 0.4500 0.5000-0.0000 ( 7464 PWs) bands (ev): -32.0620 -32.0620 7.0342 7.0342 7.0786 7.0786 7.6977 7.6977 7.8037 7.8037 7.8390 7.8390 8.1649 8.1649 8.3705 8.3705 8.6820 8.6820 8.7736 8.7736 9.2745 9.2745 9.6923 9.6923 9.7620 9.7620 10.0568 10.0568 10.5934 10.5934 10.6708 10.6708 10.8226 10.8226 13.1867 13.1867 13.7817 13.7817 14.2671 14.2671 22.0026 22.0026 22.2948 22.2948 k = 0.4625 0.5000-0.0000 ( 7462 PWs) bands (ev): -32.0620 -32.0620 7.0486 7.0486 7.0735 7.0735 7.7048 7.7048 7.8100 7.8100 7.8360 7.8360 8.1790 8.1790 8.3907 8.3907 8.6869 8.6869 8.7566 8.7566 9.2850 9.2850 9.6777 9.6777 9.7513 9.7513 10.0472 10.0472 10.5800 10.5800 10.6845 10.6845 10.8001 10.8001 13.3115 13.3115 13.7585 13.7585 14.1231 14.1231 22.0587 22.0587 22.3832 22.3832 k = 0.4750 0.5000-0.0000 ( 7464 PWs) bands (ev): -32.0620 -32.0620 7.0587 7.0587 7.0697 7.0697 7.7099 7.7099 7.8156 7.8156 7.8328 7.8328 8.1885 8.1885 8.4087 8.4087 8.6907 8.6907 8.7420 8.7420 9.2929 9.2929 9.6664 9.6664 9.7436 9.7436 10.0400 10.0400 10.5703 10.5703 10.6989 10.6989 10.7794 10.7794 13.4388 13.4388 13.7420 13.7420 13.9822 13.9822 22.1027 22.1027 22.4588 22.4588 k = 0.4875 0.5000-0.0000 ( 7452 PWs) bands (ev): -32.0620 -32.0620 7.0647 7.0647 7.0675 7.0675 7.7130 7.7130 7.8207 7.8207 7.8293 7.8293 8.1939 8.1939 8.4213 8.4213 8.6930 8.6930 8.7318 8.7318 9.2979 9.2979 9.6593 9.6593 9.7389 9.7389 10.0356 10.0356 10.5644 10.5644 10.7128 10.7128 10.7618 10.7618 13.5680 13.5680 13.7312 13.7312 13.8458 13.8458 22.1313 22.1313 22.5124 22.5124 k = 0.5000 0.5000-0.0000 ( 7452 PWs) bands (ev): -32.0620 -32.0620 7.0667 7.0667 7.0668 7.0668 7.7140 7.7140 7.8250 7.8250 7.8256 7.8256 8.1957 8.1957 8.4259 8.4259 8.6938 8.6938 8.7282 8.7282 9.2996 9.2996 9.6569 9.6569 9.7373 9.7373 10.0341 10.0341 10.5625 10.5625 10.7205 10.7205 10.7528 10.7528 13.6819 13.6819 13.7050 13.7050 13.7520 13.7520 22.1413 22.1413 22.5322 22.5322 k = 0.5000 0.5000-0.0000 ( 7452 PWs) bands (ev): -32.0620 -32.0620 7.0667 7.0667 7.0668 7.0668 7.7140 7.7140 7.8250 7.8250 7.8256 7.8256 8.1957 8.1957 8.4259 8.4259 8.6938 8.6938 8.7282 8.7282 9.2996 9.2996 9.6569 9.6569 9.7373 9.7373 10.0341 10.0341 10.5625 10.5625 10.7205 10.7205 10.7528 10.7528 13.6819 13.6819 13.7050 13.7050 13.7520 13.7520 22.1413 22.1413 22.5322 22.5322 k = 0.4911 0.4911-0.0000 ( 7452 PWs) bands (ev): -32.0620 -32.0620 7.0633 7.0633 7.0689 7.0689 7.7129 7.7129 7.8207 7.8207 7.8293 7.8293 8.1939 8.1939 8.4212 8.4212 8.6930 8.6930 8.7319 8.7319 9.2979 9.2979 9.6593 9.6593 9.7389 9.7389 10.0356 10.0356 10.5645 10.5645 10.7127 10.7127 10.7619 10.7619 13.5679 13.5679 13.7285 13.7285 13.8487 13.8487 22.1308 22.1308 22.5129 22.5129 k = 0.4821 0.4821-0.0000 ( 7466 PWs) bands (ev): -32.0620 -32.0620 7.0531 7.0531 7.0753 7.0753 7.7097 7.7097 7.8160 7.8160 7.8325 7.8325 8.1886 8.1886 8.4077 8.4077 8.6905 8.6905 8.7424 8.7424 9.2932 9.2932 9.6664 9.6664 9.7438 9.7438 10.0402 10.0402 10.5705 10.5705 10.6988 10.6988 10.7796 10.7796 13.4421 13.4421 13.7307 13.7307 13.9907 13.9907 22.0971 22.0971 22.4668 22.4668 k = 0.4732 0.4732-0.0000 ( 7458 PWs) bands (ev): -32.0620 -32.0620 7.0361 7.0361 7.0860 7.0860 7.7041 7.7041 7.8113 7.8113 7.8347 7.8347 8.1800 8.1800 8.3874 8.3874 8.6862 8.6862 8.7576 8.7576 9.2866 9.2866 9.6770 9.6770 9.7520 9.7520 10.0480 10.0480 10.5804 10.5804 10.6846 10.6846 10.7999 10.7999 13.3220 13.3220 13.7330 13.7330 14.1394 14.1394 22.0357 22.0357 22.4088 22.4088 k = 0.4643 0.4643-0.0000 ( 7462 PWs) bands (ev): -32.0620 -32.0620 7.0127 7.0127 7.1007 7.1007 7.6960 7.6960 7.8069 7.8069 7.8359 7.8359 8.1683 8.1683 8.3620 8.3620 8.6800 8.6800 8.7753 8.7753 9.2799 9.2799 9.6899 9.6899 9.7633 9.7633 10.0589 10.0589 10.5941 10.5941 10.6711 10.6711 10.8213 10.8213 13.2091 13.2091 13.7359 13.7359 14.2931 14.2931 21.9444 21.9444 22.3450 22.3450 k = 0.4554 0.4554-0.0000 ( 7464 PWs) bands (ev): -32.0620 -32.0620 6.9829 6.9829 7.1195 7.1195 7.6854 7.6854 7.8027 7.8027 7.8360 7.8360 8.1539 8.1539 8.3332 8.3332 8.6719 8.6719 8.7935 8.7935 9.2746 9.2746 9.7040 9.7040 9.7774 9.7774 10.0729 10.0729 10.6113 10.6113 10.6589 10.6589 10.8432 10.8432 13.1042 13.1042 13.7396 13.7396 14.4513 14.4513 21.8267 21.8267 22.2781 22.2781 k = 0.4464 0.4464-0.0000 ( 7460 PWs) bands (ev): -32.0620 -32.0620 6.9472 6.9472 7.1421 7.1421 7.6724 7.6724 7.7986 7.7986 7.8352 7.8352 8.1372 8.1372 8.3023 8.3023 8.6617 8.6617 8.8105 8.8105 9.2725 9.2725 9.7184 9.7184 9.7940 9.7940 10.0902 10.0902 10.6300 10.6300 10.6499 10.6499 10.8647 10.8647 13.0081 13.0081 13.7441 13.7441 14.6137 14.6137 21.6893 21.6893 22.2102 22.2102 k = 0.4375 0.4375-0.0000 ( 7470 PWs) bands (ev): -32.0620 -32.0620 6.9058 6.9058 7.1682 7.1682 7.6572 7.6572 7.7941 7.7941 7.8333 7.8333 8.1185 8.1185 8.2701 8.2701 8.6495 8.6495 8.8252 8.8252 9.2750 9.2750 9.7327 9.7327 9.8123 9.8123 10.1104 10.1104 10.6322 10.6322 10.6619 10.6619 10.8854 10.8854 12.9217 12.9217 13.7494 13.7494 14.7800 14.7800 21.5384 21.5384 22.1427 22.1427 k = 0.4286 0.4286-0.0000 ( 7470 PWs) bands (ev): -32.0620 -32.0620 6.8592 6.8592 7.1974 7.1974 7.6402 7.6402 7.7889 7.7889 7.8306 7.8306 8.0982 8.0982 8.2375 8.2375 8.6352 8.6352 8.8368 8.8368 9.2829 9.2829 9.7466 9.7466 9.8317 9.8317 10.1335 10.1335 10.6237 10.6237 10.6889 10.6889 10.9044 10.9044 12.8458 12.8458 13.7556 13.7556 14.9500 14.9500 21.3783 21.3783 22.0764 22.0764 k = 0.4196 0.4196-0.0000 ( 7465 PWs) bands (ev): -32.0620 -32.0620 6.8077 6.8077 7.2293 7.2293 7.6217 7.6217 7.7825 7.7825 7.8267 7.8267 8.0766 8.0766 8.2051 8.2051 8.6192 8.6192 8.8453 8.8453 9.2966 9.2966 9.7598 9.7598 9.8520 9.8520 10.1589 10.1589 10.6154 10.6154 10.7200 10.7200 10.9212 10.9212 12.7812 12.7812 13.7625 13.7625 15.1236 15.1236 21.2121 21.2121 22.0117 22.0117 k = 0.4107 0.4107-0.0000 ( 7471 PWs) bands (ev): -32.0620 -32.0620 6.7517 6.7517 7.2631 7.2631 7.6022 7.6022 7.7749 7.7749 7.8213 7.8213 8.0540 8.0540 8.1736 8.1736 8.6018 8.6018 8.8509 8.8509 9.3157 9.3157 9.7723 9.7723 9.8729 9.8729 10.1861 10.1861 10.6082 10.6082 10.7542 10.7542 10.9353 10.9353 12.7287 12.7287 13.7703 13.7703 15.3006 15.3006 21.0418 21.0418 21.9487 21.9487 k = 0.4018 0.4018-0.0000 ( 7471 PWs) bands (ev): -32.0620 -32.0620 6.6917 6.6917 7.2977 7.2977 7.5822 7.5822 7.7662 7.7662 7.8140 7.8140 8.0307 8.0307 8.1436 8.1436 8.5838 8.5838 8.8541 8.8541 9.3395 9.3395 9.7839 9.7839 9.8944 9.8944 10.2144 10.2144 10.6027 10.6027 10.7909 10.7909 10.9462 10.9462 12.6886 12.6886 13.7789 13.7789 15.4808 15.4808 20.8686 20.8686 21.8876 21.8876 k = 0.3929 0.3929-0.0000 ( 7475 PWs) bands (ev): -32.0621 -32.0621 6.6280 6.6280 7.3314 7.3314 7.5626 7.5626 7.7565 7.7565 7.8040 7.8040 8.0070 8.0070 8.1158 8.1158 8.5659 8.5659 8.8558 8.8558 9.3668 9.3668 9.7947 9.7947 9.9166 9.9166 10.2429 10.2429 10.5996 10.5996 10.8295 10.8295 10.9543 10.9543 12.6614 12.6614 13.7883 13.7883 15.6642 15.6642 20.6936 20.6936 21.8283 21.8283 k = 0.3839 0.3839-0.0000 ( 7485 PWs) bands (ev): -32.0621 -32.0621 6.5611 6.5611 7.3619 7.3619 7.5445 7.5445 7.7462 7.7462 7.7912 7.7912 7.9833 7.9833 8.0908 8.0908 8.5491 8.5491 8.8565 8.8565 9.3963 9.3963 9.8052 9.8052 9.9394 9.9394 10.2703 10.2703 10.5996 10.5996 10.8693 10.8693 10.9600 10.9600 12.6467 12.6467 13.7985 13.7985 15.8505 15.8505 20.5175 20.5175 21.7706 21.7706 k = 0.3750 0.3750-0.0000 ( 7485 PWs) bands (ev): -32.0621 -32.0621 6.4913 6.4913 7.3852 7.3852 7.5295 7.5295 7.7350 7.7350 7.7762 7.7762 7.9599 7.9599 8.0690 8.0690 8.5348 8.5348 8.8568 8.8568 9.4268 9.4268 9.8157 9.8157 9.9631 9.9631 10.2954 10.2954 10.6039 10.6039 10.9078 10.9078 10.9660 10.9660 12.6443 12.6443 13.8096 13.8096 16.0396 16.0396 20.3408 20.3408 21.7145 21.7145 k = 0.3661 0.3661-0.0000 ( 7487 PWs) bands (ev): -32.0621 -32.0621 6.4192 6.4192 7.3973 7.3973 7.5197 7.5197 7.7213 7.7213 7.7613 7.7613 7.9373 7.9373 8.0509 8.0509 8.5240 8.5240 8.8571 8.8571 9.4568 9.4568 9.8273 9.8273 9.9875 9.9875 10.3170 10.3170 10.6135 10.6135 10.9352 10.9352 10.9824 10.9824 12.6533 12.6533 13.8214 13.8214 16.2314 16.2314 20.1640 20.1640 21.6598 21.6598 k = 0.3571 0.3571-0.0000 ( 7483 PWs) bands (ev): -32.0621 -32.0621 6.3449 6.3449 7.3961 7.3961 7.5142 7.5142 7.7019 7.7019 7.7501 7.7501 7.9155 7.9155 8.0375 8.0375 8.5180 8.5180 8.8578 8.8578 9.4850 9.4850 9.8409 9.8409 10.0127 10.0127 10.3340 10.3340 10.6292 10.6292 10.9432 10.9432 11.0180 11.0180 12.6729 12.6729 13.8341 13.8341 16.4256 16.4256 19.9875 19.9875 21.6065 21.6065 k = 0.3482 0.3482-0.0000 ( 7487 PWs) bands (ev): -32.0621 -32.0621 6.2689 6.2689 7.3847 7.3847 7.5085 7.5085 7.6762 7.6762 7.7427 7.7427 7.8940 7.8940 8.0302 8.0302 8.5184 8.5184 8.8593 8.8593 9.5100 9.5100 9.8577 9.8577 10.0385 10.0385 10.3463 10.3463 10.6514 10.6514 10.9434 10.9434 11.0618 11.0618 12.7019 12.7019 13.8476 13.8476 16.6221 16.6221 19.8115 19.8115 21.5542 21.5542 k = 0.3393 0.3393-0.0000 ( 7481 PWs) bands (ev): -32.0621 -32.0621 6.1915 6.1915 7.3674 7.3674 7.4983 7.4983 7.6464 7.6464 7.7357 7.7357 7.8715 7.8715 8.0302 8.0302 8.5263 8.5263 8.8621 8.8621 9.5309 9.5309 9.8786 9.8786 10.0650 10.0650 10.3541 10.3541 10.6795 10.6795 10.9419 10.9419 11.1081 11.1081 12.7393 12.7393 13.8619 13.8619 16.8205 16.8205 19.6365 19.6365 21.5029 21.5029 k = 0.3304 0.3304-0.0000 ( 7479 PWs) bands (ev): -32.0621 -32.0621 6.1129 6.1129 7.3472 7.3472 7.4817 7.4817 7.6148 7.6148 7.7261 7.7261 7.8466 7.8466 8.0368 8.0368 8.5434 8.5434 8.8666 8.8666 9.5474 9.5474 9.9041 9.9041 10.0921 10.0921 10.3587 10.3587 10.7125 10.7125 10.9407 10.9407 11.1555 11.1555 12.7838 12.7838 13.8770 13.8770 17.0204 17.0204 19.4629 19.4629 21.4524 21.4524 k = 0.3214 0.3214-0.0000 ( 7477 PWs) bands (ev): -32.0622 -32.0622 6.0336 6.0336 7.3254 7.3254 7.4587 7.4587 7.5828 7.5828 7.7130 7.7130 7.8186 7.8186 8.0472 8.0472 8.5708 8.5708 8.8733 8.8733 9.5596 9.5596 9.9340 9.9340 10.1197 10.1197 10.3613 10.3613 10.7495 10.7495 10.9406 10.9406 11.2034 11.2034 12.8345 12.8345 13.8929 13.8929 17.2213 17.2213 19.2912 19.2912 21.4026 21.4026 k = 0.3125 0.3125-0.0000 ( 7473 PWs) bands (ev): -32.0622 -32.0622 5.9537 5.9537 7.3031 7.3031 7.4300 7.4300 7.5515 7.5515 7.6968 7.6968 7.7875 7.7875 8.0570 8.0570 8.6097 8.6097 8.8829 8.8829 9.5683 9.5683 9.9672 9.9672 10.1477 10.1477 10.3631 10.3631 10.7893 10.7893 10.9422 10.9422 11.2516 11.2516 12.8904 12.8904 13.9096 13.9096 17.4222 17.4222 19.1223 19.1223 21.3534 21.3534 k = 0.3036 0.3036-0.0000 ( 7483 PWs) bands (ev): -32.0622 -32.0622 5.8736 5.8736 7.2805 7.2805 7.3965 7.3965 7.5214 7.5214 7.6785 7.6785 7.7538 7.7538 8.0627 8.0627 8.6599 8.6599 8.8961 8.8961 9.5746 9.5746 10.0024 10.0024 10.1761 10.1761 10.3656 10.3656 10.8309 10.8309 10.9461 10.9461 11.2998 11.2998 12.9507 12.9507 13.9271 13.9271 17.6214 17.6214 18.9577 18.9577 21.3047 21.3047 k = 0.2946 0.2946-0.0000 ( 7485 PWs) bands (ev): -32.0622 -32.0622 5.7934 5.7934 7.2579 7.2579 7.3592 7.3592 7.4923 7.4923 7.6587 7.6587 7.7179 7.7179 8.0620 8.0620 8.7205 8.7205 8.9139 8.9139 9.5795 9.5795 10.0378 10.0378 10.2052 10.2052 10.3701 10.3701 10.8733 10.8733 10.9527 10.9527 11.3478 11.3478 13.0145 13.0145 13.9453 13.9453 17.8148 17.8148 18.8014 18.8014 21.2566 21.2566 k = 0.2857 0.2857-0.0000 ( 7481 PWs) bands (ev): -32.0622 -32.0622 5.7134 5.7134 7.2357 7.2357 7.3191 7.3191 7.4643 7.4643 7.6380 7.6380 7.6806 7.6806 8.0543 8.0543 8.7884 8.7884 8.9384 8.9384 9.5838 9.5838 10.0712 10.0712 10.2353 10.2353 10.3780 10.3780 10.9144 10.9144 10.9640 10.9640 11.3955 11.3955 13.0813 13.0813 13.9642 13.9642 17.9910 17.9910 18.6642 18.6642 21.2091 21.2091 k = 0.2768 0.2768-0.0000 ( 7485 PWs) bands (ev): -32.0623 -32.0623 5.6337 5.6337 7.2137 7.2137 7.2772 7.2772 7.4369 7.4369 7.6167 7.6167 7.6424 7.6424 8.0396 8.0396 8.8573 8.8573 8.9742 8.9742 9.5882 9.5882 10.1005 10.1005 10.2668 10.2668 10.3905 10.3905 10.9477 10.9477 10.9860 10.9860 11.4427 11.4427 13.1504 13.1504 13.9839 13.9839 18.1112 18.1112 18.5847 18.5847 21.1625 21.1625 k = 0.2679 0.2679-0.0000 ( 7477 PWs) bands (ev): -32.0623 -32.0623 5.5548 5.5548 7.1923 7.1923 7.2340 7.2340 7.4101 7.4101 7.5939 7.5939 7.6048 7.6048 8.0186 8.0186 8.9162 8.9162 9.0309 9.0309 9.5932 9.5932 10.1239 10.1239 10.3004 10.3004 10.4087 10.4087 10.9685 10.9685 11.0232 11.0232 11.4894 11.4894 13.2214 13.2214 14.0043 14.0043 18.1028 18.1028 18.6348 18.6348 21.1171 21.1171 k = 0.2589 0.2589-0.0000 ( 7477 PWs) bands (ev): -32.0623 -32.0623 5.4766 5.4766 7.1712 7.1712 7.1902 7.1902 7.3836 7.3836 7.5611 7.5611 7.5769 7.5769 7.9923 7.9923 8.9608 8.9608 9.1112 9.1112 9.5989 9.5989 10.1408 10.1408 10.3360 10.3360 10.4327 10.4327 10.9854 10.9854 11.0667 11.0667 11.5355 11.5355 13.2938 13.2938 14.0254 14.0254 17.9949 17.9949 18.7845 18.7845 21.0738 21.0738 k = 0.2500 0.2500-0.0000 ( 7443 PWs) bands (ev): -32.0623 -32.0623 5.3994 5.3994 7.1453 7.1453 7.1516 7.1516 7.3573 7.3573 7.5223 7.5223 7.5553 7.5553 7.9616 7.9616 8.9984 8.9984 9.2060 9.2060 9.6058 9.6058 10.1521 10.1521 10.3726 10.3726 10.4626 10.4626 11.0031 11.0031 11.1118 11.1118 11.5808 11.5808 13.3671 13.3671 14.0472 14.0472 17.8542 17.8542 18.9657 18.9657 21.0335 21.0335 k = 0.2411 0.2411-0.0000 ( 7451 PWs) bands (ev): -32.0623 -32.0623 5.3233 5.3233 7.1017 7.1017 7.1314 7.1314 7.3314 7.3314 7.4829 7.4829 7.5346 7.5346 7.9274 7.9274 9.0342 9.0342 9.3084 9.3084 9.6138 9.6138 10.1593 10.1593 10.4091 10.4091 10.4976 10.4976 11.0226 11.0226 11.1573 11.1573 11.6254 11.6254 13.4411 13.4411 14.0696 14.0696 17.7036 17.7036 19.1536 19.1536 20.9980 20.9980 k = 0.2321 0.2321-0.0000 ( 7449 PWs) bands (ev): -32.0624 -32.0624 5.2486 5.2486 7.0580 7.0580 7.1122 7.1122 7.3057 7.3057 7.4439 7.4439 7.5145 7.5145 7.8906 7.8906 9.0702 9.0702 9.4147 9.4147 9.6235 9.6235 10.1641 10.1641 10.4448 10.4448 10.5368 10.5368 11.0446 11.0446 11.2026 11.2026 11.6691 11.6691 13.5153 13.5153 14.0926 14.0926 17.5500 17.5500 19.3386 19.3386 20.9699 20.9699 k = 0.2232 0.2232-0.0000 ( 7457 PWs) bands (ev): -32.0624 -32.0624 5.1754 5.1754 7.0149 7.0149 7.0937 7.0937 7.2802 7.2802 7.4053 7.4053 7.4949 7.4949 7.8518 7.8518 9.1067 9.1067 9.5204 9.5204 9.6369 9.6369 10.1682 10.1682 10.4794 10.4794 10.5789 10.5789 11.0693 11.0693 11.2476 11.2476 11.7119 11.7119 13.5894 13.5894 14.1162 14.1162 17.3960 17.3960 19.5136 19.5136 20.9533 20.9533 k = 0.2143 0.2143-0.0000 ( 7457 PWs) bands (ev): -32.0624 -32.0624 5.1038 5.1038 6.9724 6.9724 7.0760 7.0760 7.2550 7.2550 7.3673 7.3673 7.4759 7.4759 7.8119 7.8119 9.1439 9.1439 9.6062 9.6062 9.6714 9.6714 10.1734 10.1734 10.5132 10.5132 10.6223 10.6223 11.0973 11.0973 11.2920 11.2920 11.7538 11.7538 13.6632 13.6632 14.1405 14.1405 17.2426 17.2426 19.6714 19.6714 20.9541 20.9541 k = 0.2054 0.2054-0.0000 ( 7457 PWs) bands (ev): -32.0624 -32.0624 5.0341 5.0341 6.9308 6.9308 7.0589 7.0589 7.2301 7.2301 7.3302 7.3302 7.4575 7.4575 7.7713 7.7713 9.1815 9.1815 9.6365 9.6365 9.7596 9.7596 10.1818 10.1818 10.5463 10.5463 10.6661 10.6661 11.1287 11.1287 11.3357 11.3357 11.7947 11.7947 13.7362 13.7362 14.1654 14.1654 17.0907 17.0907 19.8035 19.8035 20.9797 20.9797 k = 0.1964 0.1964-0.0000 ( 7455 PWs) bands (ev): -32.0625 -32.0625 4.9662 4.9662 6.8902 6.8902 7.0425 7.0425 7.2055 7.2055 7.2940 7.2940 7.4398 7.4398 7.7306 7.7306 9.2195 9.2195 9.6503 9.6503 9.8580 9.8580 10.1975 10.1975 10.5788 10.5788 10.7092 10.7092 11.1639 11.1639 11.3785 11.3785 11.8346 11.8346 13.8082 13.8082 14.1909 14.1909 16.9406 16.9406 19.9017 19.9017 21.0368 21.0368 k = 0.1875 0.1875-0.0000 ( 7449 PWs) bands (ev): -32.0625 -32.0625 4.9004 4.9004 6.8507 6.8507 7.0268 7.0268 7.1813 7.1813 7.2588 7.2588 7.4228 7.4228 7.6903 7.6903 9.2574 9.2574 9.6615 9.6615 9.9453 9.9453 10.2269 10.2269 10.6108 10.6108 10.7514 10.7514 11.2033 11.2033 11.4205 11.4205 11.8736 11.8736 13.8788 13.8788 14.2172 14.2172 16.7927 16.7927 19.9624 19.9624 21.1268 21.1268 k = 0.1786 0.1786-0.0000 ( 7457 PWs) bands (ev): -32.0625 -32.0625 4.8368 4.8368 6.8125 6.8125 7.0119 7.0119 7.1575 7.1575 7.2248 7.2248 7.4064 7.4064 7.6507 7.6507 9.2951 9.2951 9.6716 9.6716 10.0104 10.0104 10.2787 10.2787 10.6423 10.6423 10.7924 10.7924 11.2468 11.2468 11.4614 11.4614 11.9115 11.9115 13.9474 13.9474 14.2443 14.2443 16.6474 16.6474 19.9888 19.9888 21.2322 21.2322 k = 0.1696 0.1696-0.0000 ( 7445 PWs) bands (ev): -32.0625 -32.0625 4.7756 4.7756 6.7756 6.7756 6.9977 6.9977 7.1341 7.1341 7.1919 7.1919 7.3908 7.3908 7.6121 7.6121 9.3324 9.3324 9.6810 9.6810 10.0507 10.0507 10.3533 10.3533 10.6733 10.6733 10.8329 10.8329 11.2947 11.2947 11.5014 11.5014 11.9484 11.9484 14.0136 14.0136 14.2726 14.2726 16.5049 16.5049 19.9884 19.9884 21.2150 21.2150 k = 0.1607 0.1607-0.0000 ( 7441 PWs) bands (ev): -32.0625 -32.0625 4.7167 4.7167 6.7401 6.7401 6.9842 6.9842 7.1113 7.1113 7.1604 7.1604 7.3760 7.3760 7.5749 7.5749 9.3689 9.3689 9.6896 9.6896 10.0743 10.0743 10.4409 10.4409 10.7038 10.7038 10.8737 10.8737 11.3465 11.3465 11.5405 11.5405 11.9843 11.9843 14.0766 14.0766 14.3022 14.3022 16.3656 16.3656 19.9692 19.9692 21.0981 21.0981 k = 0.1518 0.1518-0.0000 ( 7437 PWs) bands (ev): -32.0626 -32.0626 4.6604 4.6604 6.7061 6.7061 6.9714 6.9714 7.0890 7.0890 7.1302 7.1302 7.3619 7.3619 7.5393 7.5393 9.4044 9.4044 9.6973 9.6973 10.0895 10.0895 10.5305 10.5305 10.7338 10.7338 10.9168 10.9168 11.4020 11.4020 11.5788 11.5788 12.0192 12.0192 14.1354 14.1354 14.3339 14.3339 16.2298 16.2298 19.9375 19.9375 20.9698 20.9698 k = 0.1429 0.1429-0.0000 ( 7439 PWs) bands (ev): -32.0626 -32.0626 4.6068 4.6068 6.6737 6.6737 6.9594 6.9594 7.0672 7.0672 7.1014 7.1014 7.3486 7.3486 7.5054 7.5054 9.4388 9.4388 9.7042 9.7042 10.1010 10.1010 10.6140 10.6140 10.7633 10.7633 10.9647 10.9647 11.4604 11.4604 11.6167 11.6167 12.0531 12.0531 14.1892 14.1892 14.3679 14.3679 16.0979 16.0979 19.8979 19.8979 20.8380 20.8380 k = 0.1339 0.1339-0.0000 ( 7427 PWs) bands (ev): -32.0626 -32.0626 4.5558 4.5558 6.6430 6.6430 6.9481 6.9481 7.0462 7.0462 7.0741 7.0741 7.3360 7.3360 7.4735 7.4735 9.4718 9.4718 9.7101 9.7101 10.1108 10.1108 10.6859 10.6859 10.7923 10.7923 11.0201 11.0201 11.5204 11.5204 11.6550 11.6550 12.0861 12.0861 14.2370 14.2370 14.4048 14.4048 15.9706 15.9706 19.8534 19.8534 20.7050 20.7050 k = 0.1250 0.1250-0.0000 ( 7437 PWs) bands (ev): -32.0626 -32.0626 4.5078 4.5078 6.6140 6.6140 6.9375 6.9375 7.0259 7.0259 7.0484 7.0484 7.3243 7.3243 7.4435 7.4435 9.5033 9.5033 9.7150 9.7150 10.1201 10.1201 10.7434 10.7434 10.8204 10.8204 11.0839 11.0839 11.5798 11.5798 11.6958 11.6958 12.1181 12.1181 14.2786 14.2786 14.4442 14.4442 15.8484 15.8484 19.8062 19.8062 20.5718 20.5718 k = 0.1161 0.1161-0.0000 ( 7437 PWs) bands (ev): -32.0626 -32.0626 4.4626 4.4626 6.5867 6.5867 6.9276 6.9276 7.0063 7.0063 7.0243 7.0243 7.3133 7.3133 7.4156 7.4156 9.5332 9.5332 9.7190 9.7190 10.1294 10.1294 10.7878 10.7878 10.8469 10.8469 11.1544 11.1544 11.6347 11.6347 11.7423 11.7423 12.1493 12.1493 14.3143 14.3143 14.4847 14.4847 15.7322 15.7322 19.7580 19.7580 20.4397 20.4397 k = 0.1071 0.1071-0.0000 ( 7441 PWs) bands (ev): -32.0627 -32.0627 4.4205 4.4205 6.5613 6.5613 6.9185 6.9185 6.9876 6.9876 7.0020 7.0020 7.3032 7.3032 7.3898 7.3898 9.5612 9.5612 9.7222 9.7222 10.1386 10.1386 10.8226 10.8226 10.8708 10.8708 11.2281 11.2281 11.6810 11.6810 11.7980 11.7980 12.1795 12.1795 14.3452 14.3452 14.5244 14.5244 15.6231 15.6231 19.7098 19.7098 20.3098 20.3098 k = 0.0982 0.0982-0.0000 ( 7445 PWs) bands (ev): -32.0627 -32.0627 4.3815 4.3815 6.5378 6.5378 6.9100 6.9100 6.9697 6.9697 6.9815 6.9815 7.2939 7.2939 7.3661 7.3661 9.5872 9.5872 9.7246 9.7246 10.1479 10.1479 10.8509 10.8509 10.8918 10.8918 11.3012 11.3012 11.7182 11.7182 11.8625 11.8625 12.2088 12.2088 14.3721 14.3721 14.5610 14.5610 15.5225 15.5225 19.6627 19.6627 20.1833 20.1833 k = 0.0893 0.0893-0.0000 ( 7433 PWs) bands (ev): -32.0627 -32.0627 4.3456 4.3456 6.5161 6.5161 6.9022 6.9022 6.9527 6.9527 6.9630 6.9630 7.2853 7.2853 7.3447 7.3447 9.6113 9.6113 9.7264 9.7264 10.1572 10.1572 10.8750 10.8750 10.9098 10.9098 11.3711 11.3711 11.7486 11.7486 11.9324 11.9324 12.2372 12.2372 14.3958 14.3958 14.5919 14.5919 15.4323 15.4323 19.6174 19.6174 20.0613 20.0613 k = 0.0804 0.0804-0.0000 ( 7427 PWs) bands (ev): -32.0627 -32.0627 4.3130 4.3130 6.4964 6.4964 6.8952 6.8952 6.9366 6.9366 6.9466 6.9466 7.2776 7.2776 7.3254 7.3254 9.6332 9.6332 9.7276 9.7276 10.1663 10.1663 10.8959 10.8959 10.9251 10.9251 11.4360 11.4360 11.7743 11.7743 12.0044 12.0044 12.2646 12.2646 14.4170 14.4170 14.6146 14.6146 15.3547 15.3547 19.5747 19.5747 19.9451 19.9451 k = 0.0714 0.0714-0.0000 ( 7437 PWs) bands (ev): -32.0627 -32.0627 4.2836 4.2836 6.4787 6.4787 6.8888 6.8888 6.9217 6.9217 6.9322 6.9322 7.2707 7.2707 7.3082 7.3082 9.6530 9.6530 9.7283 9.7283 10.1751 10.1751 10.9143 10.9143 10.9381 10.9381 11.4949 11.4949 11.7965 11.7965 12.0758 12.0758 12.2907 12.2907 14.4357 14.4357 14.6266 14.6266 15.2919 15.2919 19.5350 19.5350 19.8361 19.8361 k = 0.0625 0.0625-0.0000 ( 7437 PWs) bands (ev): -32.0627 -32.0627 4.2575 4.2575 6.4630 6.4630 6.8830 6.8830 6.9081 6.9081 6.9196 6.9196 7.2646 7.2646 7.2932 7.2932 9.6705 9.6705 9.7287 9.7287 10.1833 10.1833 10.9303 10.9303 10.9491 10.9491 11.5472 11.5472 11.8158 11.8158 12.1445 12.1445 12.3153 12.3153 14.4522 14.4522 14.6266 14.6266 15.2457 15.2457 19.4988 19.4988 19.7355 19.7355 k = 0.0536 0.0536-0.0000 ( 7437 PWs) bands (ev): -32.0627 -32.0627 4.2349 4.2349 6.4494 6.4494 6.8779 6.8779 6.8961 6.8961 6.9088 6.9088 7.2593 7.2593 7.2802 7.2802 9.6858 9.6858 9.7289 9.7289 10.1908 10.1908 10.9442 10.9442 10.9583 10.9583 11.5926 11.5926 11.8324 11.8324 12.2085 12.2085 12.3382 12.3382 14.4666 14.4666 14.6149 14.6149 15.2157 15.2157 19.4666 19.4666 19.6447 19.6447 k = 0.0446 0.0446-0.0000 ( 7451 PWs) bands (ev): -32.0627 -32.0627 4.2156 4.2156 6.4378 6.4378 6.8734 6.8734 6.8859 6.8859 6.8999 6.8999 7.2548 7.2548 7.2693 7.2693 9.6987 9.6987 9.7288 9.7288 10.1975 10.1975 10.9559 10.9559 10.9659 10.9659 11.6309 11.6309 11.8464 11.8464 12.2663 12.2663 12.3588 12.3588 14.4789 14.4789 14.5945 14.5945 15.1996 15.1996 19.4388 19.4388 19.5651 19.5651 k = 0.0357 0.0357-0.0000 ( 7459 PWs) bands (ev): -32.0628 -32.0628 4.1998 4.1998 6.4282 6.4282 6.8696 6.8696 6.8774 6.8774 6.8927 6.8927 7.2512 7.2512 7.2604 7.2604 9.7093 9.7093 9.7287 9.7287 10.2031 10.2031 10.9655 10.9655 10.9720 10.9720 11.6621 11.6621 11.8579 11.8579 12.3161 12.3161 12.3766 12.3766 14.4890 14.4890 14.5697 14.5697 15.1932 15.1932 19.4156 19.4156 19.4978 19.4978 k = 0.0268 0.0268-0.0000 ( 7471 PWs) bands (ev): -32.0628 -32.0628 4.1875 4.1875 6.4208 6.4208 6.8664 6.8664 6.8707 6.8707 6.8872 6.8872 7.2483 7.2483 7.2535 7.2535 9.7176 9.7176 9.7286 9.7286 10.2077 10.2077 10.9729 10.9729 10.9766 10.9766 11.6863 11.6863 11.8669 11.8669 12.3566 12.3566 12.3913 12.3913 14.4969 14.4969 14.5453 14.5453 15.1926 15.1926 19.3972 19.3972 19.4442 19.4442 k = 0.0179 0.0179-0.0000 ( 7471 PWs) bands (ev): -32.0628 -32.0628 4.1787 4.1787 6.4155 6.4155 6.8641 6.8641 6.8659 6.8659 6.8834 6.8834 7.2463 7.2463 7.2486 7.2486 9.7235 9.7235 9.7284 9.7284 10.2110 10.2110 10.9783 10.9783 10.9799 10.9799 11.7035 11.7035 11.8734 11.8734 12.3865 12.3865 12.4021 12.4021 14.5026 14.5026 14.5250 14.5250 15.1945 15.1945 19.3840 19.3840 19.4051 19.4051 k = 0.0089 0.0089-0.0000 ( 7471 PWs) bands (ev): -32.0628 -32.0628 4.1734 4.1734 6.4123 6.4123 6.8626 6.8626 6.8631 6.8631 6.8812 6.8812 7.2451 7.2451 7.2457 7.2457 9.7271 9.7271 9.7283 9.7283 10.2130 10.2130 10.9815 10.9815 10.9819 10.9819 11.7137 11.7137 11.8773 11.8773 12.4049 12.4049 12.4088 12.4088 14.5060 14.5060 14.5118 14.5118 15.1965 15.1965 19.3760 19.3760 19.3813 19.3813 k = 0.0000 0.0000 0.0000 ( 7497 PWs) bands (ev): -32.0628 -32.0628 4.1716 4.1716 6.4113 6.4113 6.8621 6.8621 6.8621 6.8621 6.8805 6.8805 7.2447 7.2447 7.2447 7.2447 9.7283 9.7283 9.7283 9.7283 10.2136 10.2136 10.9825 10.9825 10.9825 10.9825 11.7171 11.7171 11.8786 11.8786 12.4111 12.4111 12.4111 12.4111 14.5072 14.5072 14.5072 14.5072 15.1973 15.1973 19.3733 19.3733 19.3733 19.3733 k = 0.0000 0.0000 0.0000 ( 7497 PWs) bands (ev): -32.0628 -32.0628 4.1716 4.1716 6.4113 6.4113 6.8621 6.8621 6.8621 6.8621 6.8805 6.8805 7.2447 7.2447 7.2447 7.2447 9.7283 9.7283 9.7283 9.7283 10.2136 10.2136 10.9825 10.9825 10.9825 10.9825 11.7171 11.7171 11.8786 11.8786 12.4111 12.4111 12.4111 12.4111 14.5072 14.5072 14.5072 14.5072 15.1973 15.1973 19.3733 19.3733 19.3733 19.3733 k = 0.0072 0.0072 0.0072 ( 7469 PWs) bands (ev): -32.0628 -32.0628 4.1734 4.1734 6.4123 6.4123 6.8626 6.8626 6.8631 6.8631 6.8812 6.8812 7.2452 7.2452 7.2455 7.2455 9.7270 9.7270 9.7284 9.7284 10.2130 10.2130 10.9816 10.9816 10.9818 10.9818 11.7138 11.7138 11.8773 11.8773 12.4048 12.4048 12.4090 12.4090 14.5082 14.5082 14.5096 14.5096 15.1965 15.1965 19.3785 19.3785 19.3787 19.3787 k = 0.0145 0.0145 0.0145 ( 7469 PWs) bands (ev): -32.0628 -32.0628 4.1786 4.1786 6.4155 6.4155 6.8640 6.8640 6.8660 6.8660 6.8834 6.8834 7.2469 7.2469 7.2480 7.2480 9.7232 9.7232 9.7288 9.7288 10.2110 10.2110 10.9788 10.9788 10.9795 10.9795 11.7036 11.7036 11.8734 11.8734 12.3863 12.3863 12.4027 12.4027 14.5112 14.5112 14.5167 14.5167 15.1940 15.1940 19.3940 19.3940 19.3947 19.3947 k = 0.0217 0.0217 0.0217 ( 7469 PWs) bands (ev): -32.0628 -32.0628 4.1873 4.1873 6.4207 6.4207 6.8662 6.8662 6.8708 6.8708 6.8871 6.8871 7.2496 7.2496 7.2521 7.2521 9.7169 9.7169 9.7294 9.7294 10.2078 10.2078 10.9741 10.9741 10.9756 10.9756 11.6867 11.6867 11.8670 11.8670 12.3559 12.3559 12.3924 12.3924 14.5162 14.5162 14.5282 14.5282 15.1900 15.1900 19.4197 19.4197 19.4211 19.4211 k = 0.0290 0.0290 0.0290 ( 7463 PWs) bands (ev): -32.0628 -32.0628 4.1995 4.1995 6.4281 6.4281 6.8692 6.8692 6.8775 6.8775 6.8925 6.8925 7.2535 7.2535 7.2578 7.2578 9.7080 9.7080 9.7302 9.7302 10.2033 10.2033 10.9675 10.9675 10.9703 10.9703 11.6630 11.6630 11.8581 11.8581 12.3146 12.3146 12.3785 12.3785 14.5231 14.5231 14.5434 14.5434 15.1845 15.1845 19.4554 19.4554 19.4577 19.4577 k = 0.0362 0.0362 0.0362 ( 7445 PWs) bands (ev): -32.0627 -32.0627 4.2151 4.2151 6.4375 6.4375 6.8729 6.8729 6.8860 6.8860 6.8996 6.8996 7.2585 7.2585 7.2653 7.2653 9.6965 9.6965 9.7313 9.7313 10.1978 10.1978 10.9589 10.9589 10.9634 10.9634 11.6326 11.6326 11.8466 11.8466 12.2633 12.2633 12.3613 12.3613 14.5315 14.5315 14.5616 14.5616 15.1776 15.1776 19.5007 19.5007 19.5040 19.5040 k = 0.0435 0.0435 0.0435 ( 7442 PWs) bands (ev): -32.0627 -32.0627 4.2341 4.2341 6.4490 6.4490 6.8772 6.8772 6.8964 6.8964 6.9083 6.9083 7.2646 7.2646 7.2744 7.2744 9.6824 9.6824 9.7326 9.7326 10.1914 10.1914 10.9483 10.9483 10.9550 10.9550 11.5954 11.5954 11.8325 11.8325 12.2032 12.2032 12.3413 12.3413 14.5415 14.5415 14.5821 14.5821 15.1697 15.1697 19.5553 19.5553 19.5595 19.5595 k = 0.0507 0.0507 0.0507 ( 7436 PWs) bands (ev): -32.0627 -32.0627 4.2565 4.2565 6.4626 6.4626 6.8822 6.8822 6.9085 6.9085 6.9186 6.9186 7.2718 7.2718 7.2852 7.2852 9.6656 9.6656 9.7342 9.7342 10.1840 10.1840 10.9354 10.9354 10.9452 10.9452 11.5519 11.5519 11.8155 11.8155 12.1356 12.1356 12.3192 12.3192 14.5527 14.5527 14.6041 14.6041 15.1607 15.1607 19.6187 19.6187 19.6236 19.6236 k = 0.0580 0.0580 0.0580 ( 7433 PWs) bands (ev): -32.0627 -32.0627 4.2822 4.2822 6.4782 6.4782 6.8879 6.8879 6.9223 6.9223 6.9305 6.9305 7.2803 7.2803 7.2978 7.2978 9.6461 9.6461 9.7360 9.7360 10.1760 10.1760 10.9201 10.9201 10.9339 10.9339 11.5021 11.5021 11.7955 11.7955 12.0617 12.0617 12.2956 12.2956 14.5648 14.5648 14.6269 14.6269 15.1510 15.1510 19.6903 19.6903 19.6958 19.6958 k = 0.0652 0.0652 0.0652 ( 7439 PWs) bands (ev): -32.0627 -32.0627 4.3112 4.3112 6.4958 6.4958 6.8943 6.8943 6.9378 6.9378 6.9438 6.9438 7.2899 7.2899 7.3122 7.3122 9.6240 9.6240 9.7379 9.7379 10.1673 10.1673 10.9022 10.9022 10.9212 10.9212 11.4466 11.4466 11.7723 11.7723 11.9830 11.9830 12.2710 12.2710 14.5778 14.5778 14.6500 14.6500 15.1405 15.1405 19.7693 19.7693 19.7751 19.7751 k = 0.0725 0.0725 0.0725 ( 7439 PWs) bands (ev): -32.0627 -32.0627 4.3434 4.3434 6.5155 6.5155 6.9015 6.9015 6.9547 6.9547 6.9584 6.9584 7.3008 7.3008 7.3284 7.3284 9.5993 9.5993 9.7401 9.7401 10.1581 10.1581 10.8815 10.8815 10.9072 10.9072 11.3857 11.3857 11.7454 11.7454 11.9007 11.9007 12.2461 12.2461 14.5911 14.5911 14.6727 14.6727 15.1296 15.1296 19.8551 19.8551 19.8608 19.8608 k = 0.0797 0.0797 0.0797 ( 7433 PWs) bands (ev): -32.0627 -32.0627 4.3788 4.3788 6.5372 6.5372 6.9096 6.9096 6.9730 6.9730 6.9742 6.9742 7.3130 7.3130 7.3464 7.3464 9.5720 9.5720 9.7425 9.7425 10.1483 10.1483 10.8575 10.8575 10.8917 10.8917 11.3199 11.3199 11.7149 11.7149 11.8163 11.8163 12.2215 12.2215 14.6047 14.6047 14.6947 14.6947 15.1183 15.1183 19.9466 19.9466 19.9520 19.9520 k = 0.0870 0.0870 0.0870 ( 7433 PWs) bands (ev): -32.0626 -32.0626 4.4173 4.4173 6.5608 6.5608 6.9185 6.9185 6.9912 6.9912 6.9926 6.9926 7.3265 7.3265 7.3663 7.3663 9.5424 9.5424 9.7449 9.7449 10.1380 10.1380 10.8297 10.8297 10.8749 10.8749 11.2499 11.2499 11.6806 11.6806 11.7310 11.7310 12.1977 12.1977 14.6182 14.6182 14.7157 14.7157 15.1068 15.1068 20.0426 20.0426 20.0476 20.0476 k = 0.0942 0.0942 0.0942 ( 7439 PWs) bands (ev): -32.0626 -32.0626 4.4587 4.4587 6.5864 6.5864 6.9284 6.9284 7.0091 7.0091 7.0133 7.0133 7.3414 7.3414 7.3881 7.3881 9.5105 9.5105 9.7475 9.7475 10.1270 10.1270 10.7976 10.7976 10.8567 10.8567 11.1762 11.1762 11.6424 11.6424 11.6463 11.6463 12.1749 12.1749 14.6314 14.6314 14.7353 14.7353 15.0950 15.0950 20.1418 20.1418 20.1465 20.1465 k = 0.1014 0.1014 0.1014 ( 7439 PWs) bands (ev): -32.0626 -32.0626 4.5031 4.5031 6.6140 6.6140 6.9393 6.9393 7.0279 7.0279 7.0349 7.0349 7.3579 7.3579 7.4118 7.4118 9.4765 9.4765 9.7501 9.7501 10.1152 10.1152 10.7606 10.7606 10.8370 10.8370 11.0997 11.0997 11.5637 11.5637 11.6006 11.6006 12.1535 12.1535 14.6440 14.6440 14.7534 14.7534 15.0831 15.0831 20.2424 20.2424 20.2472 20.2472 k = 0.1087 0.1087 0.1087 ( 7445 PWs) bands (ev): -32.0626 -32.0626 4.5502 4.5502 6.6433 6.6433 6.9514 6.9514 7.0474 7.0474 7.0573 7.0573 7.3759 7.3759 7.4375 7.4375 9.4406 9.4406 9.7526 9.7526 10.1023 10.1023 10.7179 10.7179 10.8159 10.8159 11.0213 11.0213 11.4847 11.4847 11.5552 11.5552 12.1336 12.1336 14.6558 14.6558 14.7699 14.7699 15.0711 15.0711 20.3420 20.3420 20.3481 20.3481 k = 0.1159 0.1159 0.1159 ( 7457 PWs) bands (ev): -32.0626 -32.0626 4.6000 4.6000 6.6745 6.6745 6.9646 6.9646 7.0675 7.0675 7.0802 7.0802 7.3956 7.3956 7.4650 7.4650 9.4031 9.4031 9.7550 9.7550 10.0879 10.0879 10.6691 10.6691 10.7929 10.7929 10.9423 10.9423 11.4105 11.4105 11.5068 11.5068 12.1150 12.1150 14.6666 14.6666 14.7846 14.7846 15.0588 15.0588 20.4377 20.4377 20.4471 20.4471 k = 0.1232 0.1232 0.1232 ( 7457 PWs) bands (ev): -32.0626 -32.0626 4.6522 4.6522 6.7075 6.7075 6.9791 6.9791 7.0881 7.0881 7.1033 7.1033 7.4171 7.4171 7.4946 7.4946 9.3643 9.3643 9.7570 9.7570 10.0714 10.0714 10.6137 10.6137 10.7669 10.7669 10.8648 10.8648 11.3423 11.3423 11.4555 11.4555 12.0979 12.0979 14.6763 14.6763 14.7976 14.7976 15.0463 15.0463 20.5255 20.5255 20.5413 20.5413 k = 0.1304 0.1304 0.1304 ( 7445 PWs) bands (ev): -32.0625 -32.0625 4.7069 4.7069 6.7422 6.7422 6.9949 6.9949 7.1090 7.1090 7.1265 7.1265 7.4404 7.4404 7.5260 7.5260 9.3244 9.3244 9.7584 9.7584 10.0521 10.0521 10.5521 10.5521 10.7337 10.7337 10.7944 10.7944 11.2807 11.2807 11.4019 11.4019 12.0821 12.0821 14.6847 14.6847 14.8088 14.8088 15.0335 15.0335 20.6003 20.6003 20.6273 20.6273 k = 0.1377 0.1377 0.1377 ( 7445 PWs) bands (ev): -32.0625 -32.0625 4.7637 4.7637 6.7784 6.7784 7.0123 7.0123 7.1303 7.1303 7.1495 7.1495 7.4657 7.4657 7.5592 7.5592 9.2838 9.2838 9.7589 9.7589 10.0290 10.0290 10.4849 10.4849 10.6820 10.6820 10.7438 10.7438 11.2259 11.2259 11.3465 11.3465 12.0675 12.0675 14.6917 14.6917 14.8182 14.8182 15.0202 15.0202 20.6559 20.6559 20.7005 20.7005 k = 0.1449 0.1449 0.1449 ( 7451 PWs) bands (ev): -32.0625 -32.0625 4.8225 4.8225 6.8162 6.8162 7.0312 7.0312 7.1516 7.1516 7.1721 7.1721 7.4930 7.4930 7.5941 7.5941 9.2428 9.2428 9.7579 9.7579 10.0007 10.0007 10.4134 10.4134 10.6168 10.6168 10.7096 10.7096 11.1777 11.1777 11.2897 11.2897 12.0539 12.0539 14.6972 14.6972 14.8258 14.8258 15.0062 15.0062 20.6856 20.6856 20.7553 20.7553 k = 0.1522 0.1522 0.1522 ( 7457 PWs) bands (ev): -32.0625 -32.0625 4.8831 4.8831 6.8553 6.8553 7.0519 7.0519 7.1731 7.1731 7.1941 7.1941 7.5222 7.5222 7.6307 7.6307 9.2018 9.2018 9.7545 9.7545 9.9660 9.9660 10.3395 10.3395 10.5523 10.5523 10.6794 10.6794 11.1354 11.1354 11.2320 11.2320 12.0412 12.0412 14.7013 14.7013 14.8316 14.8316 14.9915 14.9915 20.6844 20.6844 20.7857 20.7857 k = 0.1594 0.1594 0.1594 ( 7463 PWs) bands (ev): -32.0625 -32.0625 4.9452 4.9452 6.8955 6.8955 7.0745 7.0745 7.1946 7.1946 7.2153 7.2153 7.5533 7.5533 7.6688 7.6688 9.1613 9.1613 9.7476 9.7476 9.9235 9.9235 10.2658 10.2658 10.4938 10.4938 10.6494 10.6494 11.0984 11.0984 11.1740 11.1740 12.0294 12.0294 14.7038 14.7038 14.8356 14.8356 14.9758 14.9758 20.6503 20.6503 20.7868 20.7868 k = 0.1667 0.1667 0.1667 ( 7463 PWs) bands (ev): -32.0624 -32.0624 5.0086 5.0086 6.9367 6.9367 7.0992 7.0992 7.2161 7.2161 7.2356 7.2356 7.5861 7.5861 7.7082 7.7082 9.1215 9.1215 9.7354 9.7354 9.8726 9.8726 10.1953 10.1953 10.4432 10.4432 10.6189 10.6189 11.0660 11.0660 11.1161 11.1161 12.0183 12.0183 14.7047 14.7047 14.8379 14.8379 14.9590 14.9590 20.5852 20.5852 20.7560 20.7560 k = 0.1739 0.1739 0.1739 ( 7463 PWs) bands (ev): -32.0624 -32.0624 5.0731 5.0731 6.9785 6.9785 7.1261 7.1261 7.2376 7.2376 7.2548 7.2548 7.6205 7.6205 7.7487 7.7487 9.0832 9.0832 9.7152 9.7152 9.8134 9.8134 10.1317 10.1317 10.4010 10.4010 10.5874 10.5874 11.0374 11.0374 11.0590 11.0590 12.0078 12.0078 14.7041 14.7041 14.8384 14.8384 14.9408 14.9408 20.4942 20.4942 20.6946 20.6946 k = 0.1812 0.1812 0.1812 ( 7463 PWs) bands (ev): -32.0624 -32.0624 5.1382 5.1382 7.0205 7.0205 7.1555 7.1555 7.2590 7.2590 7.2728 7.2728 7.6563 7.6563 7.7900 7.7900 9.0467 9.0467 9.6847 9.6847 9.7469 9.7469 10.0786 10.0786 10.3664 10.3664 10.5550 10.5550 11.0032 11.0032 11.0123 11.0123 11.9979 11.9979 14.7018 14.7018 14.8371 14.8371 14.9211 14.9211 20.3830 20.3830 20.6069 20.6069 k = 0.1884 0.1884 0.1884 ( 7463 PWs) bands (ev): -32.0624 -32.0624 5.2037 5.2037 7.0621 7.0621 7.1874 7.1874 7.2805 7.2805 7.2896 7.2896 7.6930 7.6930 7.8321 7.8321 9.0128 9.0128 9.6423 9.6423 9.6746 9.6746 10.0384 10.0384 10.3381 10.3381 10.5217 10.5217 10.9492 10.9492 10.9900 10.9900 11.9885 11.9885 14.6980 14.6980 14.8341 14.8341 14.8998 14.8998 20.2569 20.2569 20.4982 20.4982 k = 0.1957 0.1957 0.1957 ( 7469 PWs) bands (ev): -32.0623 -32.0623 5.2693 5.2693 7.1027 7.1027 7.2221 7.2221 7.3023 7.3023 7.3051 7.3051 7.7303 7.7303 7.8745 7.8745 8.9820 8.9820 9.5892 9.5892 9.5984 9.5984 10.0111 10.0111 10.3140 10.3140 10.4879 10.4879 10.8976 10.8976 10.9705 10.9705 11.9796 11.9796 14.6925 14.6925 14.8293 14.8293 14.8768 14.8768 20.1201 20.1201 20.3738 20.3738 k = 0.2029 0.2029 0.2029 ( 7481 PWs) bands (ev): -32.0623 -32.0623 5.3347 5.3347 7.1415 7.1415 7.2594 7.2594 7.3190 7.3190 7.3247 7.3247 7.7678 7.7678 7.9172 7.9172 8.9551 8.9551 9.5200 9.5200 9.5285 9.5285 9.9944 9.9944 10.2921 10.2921 10.4545 10.4545 10.8488 10.8488 10.9533 10.9533 11.9711 11.9711 14.6851 14.6851 14.8228 14.8228 14.8521 14.8521 19.9760 19.9760 20.2377 20.2377 k = 0.2101 0.2101 0.2101 ( 7481 PWs) bands (ev): -32.0623 -32.0623 5.3993 5.3993 7.1777 7.1777 7.2990 7.2990 7.3314 7.3314 7.3483 7.3483 7.8048 7.8048 7.9600 7.9600 8.9326 8.9326 9.4408 9.4408 9.4641 9.4641 9.9854 9.9854 10.2699 10.2699 10.4228 10.4228 10.8033 10.8033 10.9384 10.9384 11.9629 11.9629 14.6755 14.6755 14.8144 14.8144 14.8260 14.8260 19.8272 19.8272 20.0934 20.0934 k = 0.2174 0.2174 0.2174 ( 7499 PWs) bands (ev): -32.0623 -32.0623 5.4630 5.4630 7.2103 7.2103 7.3401 7.3401 7.3419 7.3419 7.3737 7.3737 7.8408 7.8408 8.0029 8.0029 8.9154 8.9154 9.3625 9.3625 9.3993 9.3993 9.9816 9.9816 10.2448 10.2448 10.3946 10.3946 10.7613 10.7613 10.9257 10.9257 11.9551 11.9551 14.6633 14.6633 14.7988 14.7988 14.8041 14.8041 19.6754 19.6754 19.9432 19.9432 k = 0.2246 0.2246 0.2246 ( 7499 PWs) bands (ev): -32.0623 -32.0623 5.5254 5.5254 7.2383 7.2383 7.3505 7.3505 7.3812 7.3812 7.4025 7.4025 7.8751 7.8751 8.0462 8.0462 8.9036 8.9036 9.2863 9.2863 9.3370 9.3370 9.9815 9.9815 10.2148 10.2148 10.3716 10.3716 10.7231 10.7231 10.9150 10.9150 11.9477 11.9477 14.6477 14.6477 14.7712 14.7712 14.7919 14.7919 19.5221 19.5221 19.7890 19.7890 k = 0.2319 0.2319 0.2319 ( 7481 PWs) bands (ev): -32.0622 -32.0622 5.5862 5.5862 7.2611 7.2611 7.3569 7.3569 7.4178 7.4178 7.4382 7.4382 7.9069 7.9069 8.0906 8.0906 8.8972 8.8972 9.2141 9.2141 9.2792 9.2792 9.9838 9.9838 10.1792 10.1792 10.3542 10.3542 10.6887 10.6887 10.9065 10.9065 11.9406 11.9406 14.6275 14.6275 14.7442 14.7442 14.7776 14.7776 19.3685 19.3685 19.6323 19.6323 k = 0.2391 0.2391 0.2391 ( 7478 PWs) bands (ev): -32.0622 -32.0622 5.6449 5.6449 7.2783 7.2783 7.3607 7.3607 7.4480 7.4480 7.4814 7.4814 7.9355 7.9355 8.1369 8.1369 8.8950 8.8950 9.1481 9.1481 9.2280 9.2280 9.9879 9.9879 10.1389 10.1389 10.3416 10.3416 10.6584 10.6584 10.9000 10.9000 11.9337 11.9337 14.6017 14.6017 14.7190 14.7190 14.7613 14.7613 19.2153 19.2153 19.4741 19.4741 k = 0.2464 0.2464 0.2464 ( 7466 PWs) bands (ev): -32.0622 -32.0622 5.7015 5.7015 7.2902 7.2902 7.3617 7.3617 7.4739 7.4739 7.5280 7.5280 7.9601 7.9601 8.1866 8.1866 8.8934 8.8934 9.0928 9.0928 9.1848 9.1848 9.9932 9.9932 10.0953 10.0953 10.3322 10.3322 10.6321 10.6321 10.8955 10.8955 11.9272 11.9272 14.5696 14.5696 14.6960 14.6960 14.7427 14.7427 19.0635 19.0635 19.3153 19.3153 k = 0.2536 0.2536 0.2536 ( 7466 PWs) bands (ev): -32.0622 -32.0622 5.7557 5.7557 7.2968 7.2968 7.3595 7.3595 7.4948 7.4948 7.5766 7.5766 7.9800 7.9800 8.2409 8.2409 8.8849 8.8849 9.0563 9.0563 9.1510 9.1510 9.9995 9.9995 10.0500 10.0500 10.3248 10.3248 10.6100 10.6100 10.8931 10.8931 11.9210 11.9210 14.5315 14.5315 14.6750 14.6750 14.7219 14.7219 18.9135 18.9135 19.1566 19.1566 k = 0.2609 0.2609 0.2609 ( 7475 PWs) bands (ev): -32.0622 -32.0622 5.8073 5.8073 7.2986 7.2986 7.3538 7.3538 7.5097 7.5097 7.6266 7.6266 7.9949 7.9949 8.3012 8.3012 8.8617 8.8617 9.0464 9.0464 9.1276 9.1276 10.0043 10.0043 10.0065 10.0065 10.3185 10.3185 10.5921 10.5921 10.8927 10.8927 11.9151 11.9151 14.4880 14.4880 14.6553 14.6553 14.6986 14.6986 18.7660 18.7660 18.9987 18.9987 k = 0.2681 0.2681 0.2681 ( 7469 PWs) bands (ev): -32.0621 -32.0621 5.8563 5.8563 7.2955 7.2955 7.3441 7.3441 7.5178 7.5178 7.6775 7.6775 8.0049 8.0049 8.3686 8.3686 8.8272 8.8272 9.0594 9.0594 9.1149 9.1149 9.9591 9.9591 10.0142 10.0142 10.3125 10.3125 10.5786 10.5786 10.8944 10.8944 11.9094 11.9094 14.4400 14.4400 14.6361 14.6361 14.6727 14.6727 18.6215 18.6215 18.8421 18.8421 k = 0.2754 0.2754 0.2754 ( 7466 PWs) bands (ev): -32.0621 -32.0621 5.9025 5.9025 7.2877 7.2877 7.3302 7.3302 7.5190 7.5190 7.7286 7.7286 8.0102 8.0102 8.4434 8.4434 8.7903 8.7903 9.0862 9.0862 9.1130 9.1130 9.9156 9.9156 10.0223 10.0223 10.3065 10.3065 10.5695 10.5695 10.8982 10.8982 11.9041 11.9041 14.3882 14.3882 14.6166 14.6166 14.6442 14.6442 18.4803 18.4803 18.6871 18.6871 k = 0.2826 0.2826 0.2826 ( 7475 PWs) bands (ev): -32.0621 -32.0621 5.9460 5.9460 7.2753 7.2753 7.3119 7.3119 7.5139 7.5139 7.7791 7.7791 8.0118 8.0118 8.5258 8.5258 8.7566 8.7566 9.1204 9.1204 9.1213 9.1213 9.8747 9.8747 10.0310 10.0310 10.3005 10.3005 10.5647 10.5647 10.9041 10.9041 11.8991 11.8991 14.3328 14.3328 14.5965 14.5965 14.6127 14.6127 18.3428 18.3428 18.5343 18.5343 k = 0.2899 0.2899 0.2899 ( 7469 PWs) bands (ev): -32.0621 -32.0621 5.9868 5.9868 7.2582 7.2582 7.2890 7.2890 7.5031 7.5031 7.8281 7.8281 8.0106 8.0106 8.6152 8.6152 8.7293 8.7293 9.1388 9.1388 9.1581 9.1581 9.8376 9.8376 10.0401 10.0401 10.2945 10.2945 10.5641 10.5641 10.9121 10.9121 11.8944 11.8944 14.2745 14.2745 14.5753 14.5753 14.5783 14.5783 18.2095 18.2095 18.3841 18.3841 k = 0.2971 0.2971 0.2971 ( 7469 PWs) bands (ev): -32.0621 -32.0621 6.0249 6.0249 7.2368 7.2368 7.2618 7.2618 7.4878 7.4878 7.8747 7.8747 8.0076 8.0076 8.7015 8.7015 8.7194 8.7194 9.1642 9.1642 9.1964 9.1964 9.8058 9.8058 10.0498 10.0498 10.2890 10.2890 10.5676 10.5676 10.9222 10.9222 11.8900 11.8900 14.2133 14.2133 14.5406 14.5406 14.5528 14.5528 18.0807 18.0807 18.2367 18.2367 k = 0.3043 0.3043 0.3043 ( 7469 PWs) bands (ev): -32.0621 -32.0621 6.0605 6.0605 7.2112 7.2112 7.2303 7.2303 7.4687 7.4687 7.9179 7.9179 8.0039 8.0039 8.6972 8.6972 8.8148 8.8148 9.1962 9.1962 9.2326 9.2326 9.7811 9.7811 10.0602 10.0602 10.2844 10.2844 10.5749 10.5749 10.9343 10.9343 11.8860 11.8860 14.1497 14.1497 14.4997 14.4997 14.5286 14.5286 17.9566 17.9566 18.0925 18.0925 k = 0.3116 0.3116 0.3116 ( 7469 PWs) bands (ev): -32.0621 -32.0621 6.0937 6.0937 7.1818 7.1818 7.1952 7.1952 7.4467 7.4467 7.9568 7.9568 8.0002 8.0002 8.6962 8.6962 8.9211 8.9211 9.2334 9.2334 9.2640 9.2640 9.7656 9.7656 10.0712 10.0712 10.2815 10.2815 10.5859 10.5859 10.9485 10.9485 11.8824 11.8824 14.0837 14.0837 14.4553 14.4553 14.5026 14.5026 17.8376 17.8376 17.9519 17.9519 k = 0.3188 0.3188 0.3188 ( 7475 PWs) bands (ev): -32.0620 -32.0620 6.1245 6.1245 7.1490 7.1490 7.1568 7.1568 7.4226 7.4226 7.9905 7.9905 7.9969 7.9969 8.7050 8.7050 9.0305 9.0305 9.2747 9.2747 9.2883 9.2883 9.7614 9.7614 10.0831 10.0831 10.2807 10.2807 10.6005 10.6005 10.9648 10.9648 11.8792 11.8792 14.0157 14.0157 14.4073 14.4073 14.4745 14.4745 17.7239 17.7239 17.8153 17.8153 k = 0.3261 0.3261 0.3261 ( 7448 PWs) bands (ev): -32.0620 -32.0620 6.1531 6.1531 7.1134 7.1134 7.1159 7.1159 7.3970 7.3970 7.9943 7.9943 8.0186 8.0186 8.7234 8.7234 9.1403 9.1403 9.3049 9.3049 9.3188 9.3188 9.7702 9.7702 10.0960 10.0960 10.2829 10.2829 10.6190 10.6190 10.9831 10.9831 11.8764 11.8764 13.9458 13.9458 14.3557 14.3557 14.4441 14.4441 17.6157 17.6157 17.6828 17.6828 k = 0.3333 0.3333 0.3333 ( 7457 PWs) bands (ev): -32.0620 -32.0620 6.1797 6.1797 7.0731 7.0731 7.0754 7.0754 7.3704 7.3704 7.9926 7.9926 8.0410 8.0410 8.7511 8.7511 9.2408 9.2408 9.3208 9.3208 9.3648 9.3648 9.7927 9.7927 10.1101 10.1101 10.2887 10.2887 10.6415 10.6415 11.0036 11.0036 11.8740 11.8740 13.8743 13.8743 14.3003 14.3003 14.4113 14.4113 17.5132 17.5132 17.5549 17.5549 k = 0.3406 0.3406 0.3406 ( 7457 PWs) bands (ev): -32.0620 -32.0620 6.2043 6.2043 7.0289 7.0289 7.0358 7.0358 7.3433 7.3433 7.9917 7.9917 8.0582 8.0582 8.7870 8.7870 9.2845 9.2845 9.3819 9.3819 9.4116 9.4116 9.8287 9.8287 10.1256 10.1256 10.2988 10.2988 10.6686 10.6686 11.0262 11.0262 11.8723 11.8723 13.8014 13.8014 14.2412 14.2412 14.3757 14.3757 17.4165 17.4165 17.4318 17.4318 k = 0.3478 0.3478 0.3478 ( 7460 PWs) bands (ev): -32.0620 -32.0620 6.2272 6.2272 6.9839 6.9839 6.9950 6.9950 7.3160 7.3160 7.9916 7.9916 8.0707 8.0707 8.8298 8.8298 9.2829 9.2829 9.4585 9.4585 9.4738 9.4738 9.8790 9.8790 10.1425 10.1425 10.3134 10.3134 10.7009 10.7009 11.0510 11.0510 11.8710 11.8710 13.7274 13.7274 14.1783 14.1783 14.3373 14.3373 17.3138 17.3138 17.3256 17.3256 k = 0.3551 0.3551 0.3551 ( 7460 PWs) bands (ev): -32.0620 -32.0620 6.2483 6.2483 6.9387 6.9387 6.9535 6.9535 7.2889 7.2889 7.9921 7.9921 8.0792 8.0792 8.8781 8.8781 9.2725 9.2725 9.5046 9.5046 9.5569 9.5569 9.9451 9.9451 10.1612 10.1612 10.3331 10.3331 10.7392 10.7392 11.0780 11.0780 11.8705 11.8705 13.6524 13.6524 14.1118 14.1118 14.2958 14.2958 17.2012 17.2012 17.2407 17.2407 k = 0.3623 0.3623 0.3623 ( 7454 PWs) bands (ev): -32.0620 -32.0620 6.2678 6.2678 6.8938 6.8938 6.9118 6.9118 7.2621 7.2621 7.9932 7.9932 8.0843 8.0843 8.9305 8.9305 9.2595 9.2595 9.5492 9.5492 9.6231 9.6231 10.0268 10.0268 10.1818 10.1818 10.3579 10.3579 10.7845 10.7845 11.1074 11.1074 11.8707 11.8707 13.5767 13.5767 14.0417 14.0417 14.2512 14.2512 17.0942 17.0942 17.1616 17.1616 k = 0.3696 0.3696 0.3696 ( 7460 PWs) bands (ev): -32.0620 -32.0620 6.2858 6.2858 6.8496 6.8496 6.8705 6.8705 7.2359 7.2359 7.9948 7.9948 8.0868 8.0868 8.9856 8.9856 9.2459 9.2459 9.5916 9.5916 9.6720 9.6720 10.1197 10.1197 10.2043 10.2043 10.3891 10.3891 10.8379 10.8379 11.1392 11.1392 11.8717 11.8717 13.5007 13.5007 13.9682 13.9682 14.2034 14.2034 16.9930 16.9930 17.0883 17.0883 k = 0.3768 0.3768 0.3768 ( 7457 PWs) bands (ev): -32.0620 -32.0620 6.3024 6.3024 6.8064 6.8064 6.8298 6.8298 7.2104 7.2104 7.9966 7.9966 8.0872 8.0872 9.0416 9.0416 9.2336 9.2336 9.6315 9.6315 9.7069 9.7069 10.2143 10.2143 10.2287 10.2287 10.4297 10.4297 10.9003 10.9003 11.1736 11.1736 11.8738 11.8738 13.4246 13.4246 13.8915 13.8915 14.1524 14.1524 16.8978 16.8978 17.0207 17.0207 k = 0.3841 0.3841 0.3841 ( 7469 PWs) bands (ev): -32.0620 -32.0620 6.3176 6.3176 6.7645 6.7645 6.7900 6.7900 7.1859 7.1859 7.9986 7.9986 8.0858 8.0858 9.0958 9.0958 9.2250 9.2250 9.6683 9.6683 9.7317 9.7317 10.2549 10.2549 10.2972 10.2972 10.4869 10.4869 10.9725 10.9725 11.2107 11.2107 11.8771 11.8771 13.3486 13.3486 13.8118 13.8118 14.0983 14.0983 16.8085 16.8085 16.9587 16.9587 k = 0.3913 0.3913 0.3913 ( 7475 PWs) bands (ev): -32.0620 -32.0620 6.3315 6.3315 6.7241 6.7241 6.7517 6.7517 7.1624 7.1624 8.0008 8.0008 8.0830 8.0830 9.1400 9.1400 9.2279 9.2279 9.7019 9.7019 9.7494 9.7494 10.2826 10.2826 10.3579 10.3579 10.5660 10.5660 11.0549 11.0549 11.2506 11.2506 11.8818 11.8818 13.2732 13.2732 13.7295 13.7295 14.0412 14.0412 16.7253 16.7253 16.9019 16.9019 k = 0.3986 0.3986 0.3986 ( 7472 PWs) bands (ev): -32.0620 -32.0620 6.3442 6.3442 6.6857 6.6857 6.7148 6.7148 7.1401 7.1401 8.0031 8.0031 8.0791 8.0791 9.1589 9.1589 9.2570 9.2570 9.7322 9.7322 9.7625 9.7625 10.3115 10.3115 10.3995 10.3995 10.6601 10.6601 11.1474 11.1474 11.2936 11.2936 11.8884 11.8884 13.1987 13.1987 13.6447 13.6447 13.9814 13.9814 16.6481 16.6481 16.8503 16.8503 k = 0.4058 0.4058 0.4058 ( 7484 PWs) bands (ev): -32.0620 -32.0620 6.3558 6.3558 6.6492 6.6492 6.6799 6.6799 7.1191 7.1191 8.0053 8.0053 8.0745 8.0745 9.1586 9.1586 9.3054 9.3054 9.7591 9.7591 9.7724 9.7724 10.3410 10.3410 10.4302 10.4302 10.7587 10.7587 11.2489 11.2489 11.3397 11.3397 11.8973 11.8973 13.1256 13.1256 13.5580 13.5580 13.9193 13.9193 16.5767 16.5767 16.8035 16.8035 k = 0.4130 0.4130 0.4130 ( 7487 PWs) bands (ev): -32.0620 -32.0620 6.3662 6.3662 6.6149 6.6149 6.6469 6.6469 7.0993 7.0993 8.0075 8.0075 8.0692 8.0692 9.1530 9.1530 9.3585 9.3585 9.7805 9.7805 9.7830 9.7830 10.3706 10.3706 10.4549 10.4549 10.8557 10.8557 11.3573 11.3573 11.3890 11.3890 11.9094 11.9094 13.0541 13.0541 13.4696 13.4696 13.8553 13.8553 16.5109 16.5109 16.7614 16.7614 k = 0.4203 0.4203 0.4203 ( 7487 PWs) bands (ev): -32.0620 -32.0620 6.3755 6.3755 6.5829 6.5829 6.6162 6.6162 7.0810 7.0810 8.0096 8.0096 8.0636 8.0636 9.1465 9.1465 9.4110 9.4110 9.7878 9.7878 9.8039 9.8039 10.3997 10.3997 10.4757 10.4757 10.9485 10.9485 11.4415 11.4415 11.4693 11.4693 11.9259 11.9259 12.9848 12.9848 13.3800 13.3800 13.7903 13.7903 16.4504 16.4504 16.7237 16.7237 k = 0.4275 0.4275 0.4275 ( 7493 PWs) bands (ev): -32.0620 -32.0620 6.3837 6.3837 6.5533 6.5533 6.5878 6.5878 7.0641 7.0641 8.0115 8.0115 8.0578 8.0578 9.1403 9.1403 9.4609 9.4609 9.7950 9.7950 9.8221 9.8221 10.4278 10.4278 10.4937 10.4937 11.0359 11.0360 11.4972 11.4972 11.5801 11.5801 11.9490 11.9490 12.9183 12.9183 13.2895 13.2895 13.7249 13.7249 16.3947 16.3947 16.6902 16.6902 k = 0.4348 0.4348 0.4348 ( 7502 PWs) bands (ev): -32.0620 -32.0620 6.3908 6.3908 6.5263 6.5263 6.5620 6.5620 7.0488 7.0488 8.0134 8.0134 8.0520 8.0520 9.1347 9.1347 9.5067 9.5067 9.8030 9.8030 9.8378 9.8378 10.4542 10.4542 10.5095 10.5095 11.1176 11.1176 11.5560 11.5560 11.6832 11.6832 11.9823 11.9823 12.8552 12.8552 13.1987 13.1987 13.6603 13.6603 16.3434 16.3434 16.6606 16.6606 k = 0.4420 0.4420 0.4420 ( 7520 PWs) bands (ev): -32.0620 -32.0620 6.3968 6.3968 6.5019 6.5019 6.5389 6.5389 7.0350 7.0350 8.0150 8.0150 8.0464 8.0464 9.1298 9.1298 9.5473 9.5473 9.8124 9.8124 9.8514 9.8514 10.4787 10.4787 10.5234 10.5234 11.1929 11.1929 11.6174 11.6174 11.7710 11.7710 12.0306 12.0306 12.7961 12.7961 13.1081 13.1081 13.5977 13.5977 16.2957 16.2957 16.6347 16.6347 k = 0.4493 0.4493 0.4493 ( 7520 PWs) bands (ev): -32.0620 -32.0620 6.4017 6.4017 6.4803 6.4803 6.5186 6.5186 7.0227 7.0227 8.0165 8.0165 8.0411 8.0411 9.1257 9.1257 9.5817 9.5817 9.8237 9.8237 9.8629 9.8629 10.5009 10.5009 10.5355 10.5355 11.2612 11.2612 11.6813 11.6813 11.8389 11.8389 12.0950 12.0950 12.7418 12.7418 13.0183 13.0183 13.5388 13.5388 16.2510 16.2510 16.6124 16.6124 k = 0.4565 0.4565 0.4565 ( 7514 PWs) bands (ev): -32.0620 -32.0620 6.4055 6.4055 6.4614 6.4614 6.5013 6.5013 7.0121 7.0121 8.0178 8.0178 8.0362 8.0362 9.1222 9.1222 9.6095 9.6095 9.8368 9.8368 9.8726 9.8726 10.5204 10.5204 10.5461 10.5461 11.3216 11.3216 11.7467 11.7467 11.8902 11.8902 12.1686 12.1686 12.6934 12.6934 12.9301 12.9301 13.4852 13.4852 16.2086 16.2086 16.5934 16.5934 k = 0.4638 0.4638 0.4638 ( 7508 PWs) bands (ev): -32.0620 -32.0620 6.4080 6.4080 6.4453 6.4453 6.4872 6.4872 7.0030 7.0030 8.0189 8.0189 8.0319 8.0319 9.1194 9.1194 9.6308 9.6308 9.8512 9.8512 9.8805 9.8805 10.5372 10.5372 10.5551 10.5551 11.3734 11.3734 11.8128 11.8128 11.9315 11.9315 12.2403 12.2403 12.6517 12.6517 12.8448 12.8448 13.4388 13.4388 16.1680 16.1680 16.5776 16.5776 k = 0.4710 0.4710 0.4710 ( 7508 PWs) bands (ev): -32.0620 -32.0620 6.4093 6.4093 6.4321 6.4321 6.4763 6.4763 6.9956 6.9956 8.0198 8.0198 8.0282 8.0282 9.1172 9.1172 9.6463 9.6463 9.8656 9.8656 9.8869 9.8869 10.5510 10.5510 10.5625 10.5625 11.4160 11.4160 11.8779 11.8779 11.9671 11.9671 12.3015 12.3015 12.6182 12.6182 12.7638 12.7638 13.4013 13.4013 16.1293 16.1293 16.5648 16.5648 k = 0.4783 0.4783 0.4783 ( 7514 PWs) bands (ev): -32.0620 -32.0620 6.4096 6.4096 6.4218 6.4218 6.4685 6.4685 6.9899 6.9899 8.0205 8.0205 8.0253 8.0253 9.1156 9.1156 9.6571 9.6571 9.8787 9.8787 9.8918 9.8918 10.5619 10.5619 10.5683 10.5683 11.4490 11.4490 11.9394 11.9394 11.9980 11.9980 12.3468 12.3468 12.5938 12.5938 12.6901 12.6901 13.3737 13.3737 16.0941 16.0941 16.5550 16.5550 k = 0.4855 0.4855 0.4855 ( 7526 PWs) bands (ev): -32.0620 -32.0620 6.4092 6.4092 6.4144 6.4144 6.4635 6.4635 6.9858 6.9858 8.0210 8.0210 8.0231 8.0231 9.1144 9.1144 9.6640 9.6640 9.8891 9.8891 9.8953 9.8953 10.5696 10.5696 10.5725 10.5725 11.4724 11.4724 11.9927 11.9927 12.0227 12.0227 12.3751 12.3751 12.5785 12.5785 12.6279 12.6279 13.3556 13.3556 16.0650 16.0650 16.5481 16.5481 k = 0.4928 0.4928 0.4928 ( 7568 PWs) bands (ev): -32.0620 -32.0620 6.4087 6.4087 6.4100 6.4100 6.4607 6.4607 6.9833 6.9833 8.0213 8.0213 8.0218 8.0218 9.1137 9.1137 9.6679 9.6679 9.8957 9.8957 9.8973 9.8973 10.5743 10.5743 10.5750 10.5750 11.4864 11.4864 12.0307 12.0307 12.0391 12.0391 12.3891 12.3891 12.5709 12.5709 12.5846 12.5846 13.3458 13.3458 16.0455 16.0455 16.5439 16.5439 k = 0.5000 0.5000 0.5000 ( 7568 PWs) bands (ev): -32.0620 -32.0620 6.4085 6.4085 6.4085 6.4085 6.4599 6.4599 6.9825 6.9825 8.0214 8.0214 8.0214 8.0214 9.1135 9.1135 9.6691 9.6691 9.8980 9.8980 9.8980 9.8980 10.5759 10.5759 10.5759 10.5759 11.4910 11.4910 12.0448 12.0448 12.0448 12.0448 12.3932 12.3932 12.5687 12.5687 12.5687 12.5687 13.3428 13.3428 16.0387 16.0387 16.5426 16.5426 k = 0.5000 0.5000 0.5000 ( 7568 PWs) bands (ev): -32.0620 -32.0620 6.4085 6.4085 6.4085 6.4085 6.4599 6.4599 6.9825 6.9825 8.0214 8.0214 8.0214 8.0214 9.1135 9.1135 9.6691 9.6691 9.8980 9.8980 9.8980 9.8980 10.5759 10.5759 10.5759 10.5759 11.4910 11.4910 12.0448 12.0448 12.0448 12.0448 12.3932 12.3932 12.5687 12.5687 12.5687 12.5687 13.3428 13.3428 16.0387 16.0387 16.5426 16.5426 k = 0.4911 0.5000 0.4911 ( 7568 PWs) bands (ev): -32.0620 -32.0620 6.4088 6.4088 6.4099 6.4099 6.4608 6.4608 6.9833 6.9833 8.0213 8.0213 8.0218 8.0218 9.1137 9.1137 9.6678 9.6678 9.8958 9.8958 9.8972 9.8972 10.5741 10.5741 10.5753 10.5753 11.4864 11.4864 12.0300 12.0300 12.0395 12.0395 12.3891 12.3891 12.5713 12.5713 12.5844 12.5844 13.3458 13.3458 16.0456 16.0456 16.5446 16.5446 k = 0.4821 0.5000 0.4821 ( 7530 PWs) bands (ev): -32.0620 -32.0620 6.4097 6.4097 6.4140 6.4140 6.4635 6.4635 6.9858 6.9858 8.0211 8.0211 8.0231 8.0231 9.1144 9.1144 9.6640 9.6640 9.8892 9.8892 9.8950 9.8950 10.5686 10.5686 10.5734 10.5734 11.4723 11.4723 11.9895 11.9895 12.0251 12.0251 12.3755 12.3755 12.5792 12.5792 12.6275 12.6275 13.3555 13.3555 16.0656 16.0656 16.5507 16.5507 k = 0.4732 0.5000 0.4732 ( 7506 PWs) bands (ev): -32.0620 -32.0620 6.4111 6.4111 6.4206 6.4206 6.4685 6.4685 6.9900 6.9900 8.0207 8.0207 8.0252 8.0252 9.1156 9.1156 9.6572 9.6572 9.8785 9.8785 9.8913 9.8913 10.5595 10.5595 10.5704 10.5704 11.4488 11.4488 11.9312 11.9312 12.0044 12.0044 12.3504 12.3504 12.5909 12.5909 12.6901 12.6901 13.3733 13.3733 16.0959 16.0959 16.5617 16.5617 k = 0.4643 0.5000 0.4643 ( 7498 PWs) bands (ev): -32.0620 -32.0620 6.4127 6.4127 6.4291 6.4291 6.4764 6.4764 6.9958 6.9958 8.0201 8.0201 8.0280 8.0280 9.1173 9.1173 9.6470 9.6470 9.8644 9.8644 9.8865 9.8865 10.5469 10.5469 10.5662 10.5662 11.4160 11.4160 11.8614 11.8614 11.9809 11.9809 12.3143 12.3143 12.6033 12.6033 12.7658 12.7658 13.4009 13.4009 16.1328 16.1328 16.5785 16.5785 k = 0.4554 0.5000 0.4554 ( 7498 PWs) bands (ev): -32.0620 -32.0620 6.4143 6.4143 6.4390 6.4390 6.4880 6.4880 7.0033 7.0033 8.0193 8.0193 8.0316 8.0316 9.1195 9.1195 9.6326 9.6326 9.8475 9.8475 9.8808 9.8808 10.5306 10.5306 10.5610 10.5610 11.3741 11.3741 11.7838 11.7838 11.9570 11.9570 12.2696 12.2696 12.6123 12.6123 12.8505 12.8505 13.4402 13.4402 16.1721 16.1721 16.6025 16.6025 k = 0.4464 0.5000 0.4464 ( 7502 PWs) bands (ev): -32.0620 -32.0620 6.4158 6.4158 6.4498 6.4498 6.5038 6.5038 7.0124 7.0124 8.0184 8.0184 8.0358 8.0358 9.1223 9.1223 9.6136 9.6136 9.8284 9.8284 9.8743 9.8743 10.5109 10.5109 10.5548 10.5548 11.3232 11.3232 11.7010 11.7010 11.9341 11.9341 12.2192 12.2192 12.6151 12.6151 12.9419 12.9419 13.4919 13.4919 16.2101 16.2101 16.6353 16.6353 k = 0.4375 0.5000 0.4375 ( 7502 PWs) bands (ev): -32.0620 -32.0620 6.4169 6.4169 6.4614 6.4614 6.5240 6.5240 7.0232 7.0232 8.0173 8.0173 8.0406 8.0406 9.1258 9.1258 9.5893 9.5893 9.8078 9.8078 9.8674 9.8674 10.4878 10.4878 10.5477 10.5477 11.2634 11.2634 11.6151 11.6151 11.9126 11.9126 12.1656 12.1656 12.6102 12.6102 13.0389 13.0389 13.5559 13.5559 16.2441 16.2441 16.6781 16.6781 k = 0.4286 0.5000 0.4286 ( 7508 PWs) bands (ev): -32.0620 -32.0620 6.4178 6.4178 6.4738 6.4738 6.5484 6.5484 7.0356 7.0356 8.0161 8.0161 8.0458 8.0458 9.1299 9.1299 9.5596 9.5596 9.7859 9.7859 9.8601 9.8601 10.4613 10.4613 10.5398 10.5398 11.1943 11.1943 11.5288 11.5288 11.8926 11.8926 12.1112 12.1112 12.5975 12.5975 13.1405 13.1405 13.6313 13.6313 16.2728 16.2728 16.7315 16.7315 k = 0.4196 0.5000 0.4196 ( 7492 PWs) bands (ev): -32.0620 -32.0620 6.4183 6.4183 6.4873 6.4873 6.5767 6.5767 7.0497 7.0497 8.0147 8.0147 8.0512 8.0512 9.1349 9.1349 9.5248 9.5248 9.7630 9.7630 9.8522 9.8522 10.4317 10.4317 10.5310 10.5310 11.1155 11.1155 11.4449 11.4449 11.8737 11.8737 12.0573 12.0573 12.5778 12.5778 13.2463 13.2463 13.7167 13.7167 16.2961 16.2961 16.7952 16.7952 k = 0.4107 0.5000 0.4107 ( 7480 PWs) bands (ev): -32.0620 -32.0620 6.4185 6.4185 6.5019 6.5019 6.6085 6.6085 7.0653 7.0653 8.0131 8.0131 8.0569 8.0569 9.1407 9.1407 9.4856 9.4856 9.7389 9.7389 9.8433 9.8433 10.3993 10.3993 10.5214 10.5214 11.0272 11.0272 11.3659 11.3659 11.8552 11.8552 12.0051 12.0051 12.5520 12.5520 13.3558 13.3558 13.8107 13.8107 16.3146 16.3146 16.8683 16.8683 k = 0.4018 0.5000 0.4018 ( 7476 PWs) bands (ev): -32.0620 -32.0620 6.4184 6.4184 6.5178 6.5178 6.6437 6.6437 7.0825 7.0825 8.0113 8.0113 8.0624 8.0624 9.1474 9.1474 9.4426 9.4426 9.7135 9.7135 9.8325 9.8325 10.3644 10.3644 10.5108 10.5108 10.9308 10.9308 11.2932 11.2932 11.8360 11.8360 11.9557 11.9557 12.5212 12.5212 13.4688 13.4688 13.9118 13.9118 16.3292 16.3292 16.9493 16.9493 k = 0.3929 0.5000 0.3929 ( 7476 PWs) bands (ev): -32.0620 -32.0620 6.4180 6.4180 6.5350 6.5350 6.6818 6.6818 7.1012 7.1012 8.0094 8.0094 8.0678 8.0678 9.1550 9.1550 9.3968 9.3968 9.6867 9.6867 9.8186 9.8186 10.3272 10.3272 10.4991 10.4991 10.8293 10.8293 11.2270 11.2270 11.8146 11.8146 11.9105 11.9105 12.4863 12.4863 13.5850 13.5850 14.0190 14.0190 16.3411 16.3411 17.0371 17.0371 k = 0.3839 0.5000 0.3839 ( 7474 PWs) bands (ev): -32.0620 -32.0620 6.4174 6.4174 6.5535 6.5535 6.7227 6.7227 7.1214 7.1214 8.0072 8.0072 8.0726 8.0726 9.1635 9.1635 9.3492 9.3492 9.6586 9.6586 9.7997 9.7997 10.2881 10.2881 10.4855 10.4855 10.7275 10.7275 11.1666 11.1666 11.7883 11.7883 11.8718 11.8718 12.4482 12.4482 13.7043 13.7043 14.1313 14.1313 16.3511 16.3511 17.1304 17.1304 k = 0.3750 0.5000 0.3750 ( 7486 PWs) bands (ev): -32.0620 -32.0620 6.4165 6.4165 6.5732 6.5732 6.7662 6.7662 7.1432 7.1432 8.0048 8.0048 8.0767 8.0767 9.1727 9.1727 9.3008 9.3008 9.6291 9.6291 9.7739 9.7739 10.2468 10.2468 10.4680 10.4680 10.6321 10.6321 11.1110 11.1110 11.7549 11.7549 11.8414 11.8414 12.4076 12.4076 13.8263 13.8263 14.2481 14.2481 16.3597 16.3597 17.2282 17.2282 k = 0.3661 0.5000 0.3661 ( 7478 PWs) bands (ev): -32.0620 -32.0620 6.4153 6.4153 6.5941 6.5941 6.8120 6.8120 7.1663 7.1663 8.0021 8.0021 8.0799 8.0799 9.1810 9.1810 9.2540 9.2540 9.5982 9.5982 9.7385 9.7385 10.2025 10.2025 10.4417 10.4417 10.5540 10.5540 11.0594 11.0594 11.7156 11.7156 11.8180 11.8180 12.3649 12.3649 13.9511 13.9511 14.3688 14.3688 16.3675 16.3675 17.3295 17.3295 k = 0.3571 0.5000 0.3571 ( 7464 PWs) bands (ev): -32.0620 -32.0620 6.4137 6.4137 6.6163 6.6163 6.8599 6.8599 7.1909 7.1909 7.9990 7.9990 8.0818 8.0818 9.1777 9.1777 9.2199 9.2199 9.5659 9.5659 9.6913 9.6913 10.1536 10.1536 10.4011 10.4011 10.5047 10.5047 11.0109 11.0109 11.6729 11.6729 11.7987 11.7987 12.3207 12.3207 14.0782 14.0782 14.4928 14.4928 16.3749 16.3749 17.4335 17.4335 k = 0.3482 0.5000 0.3482 ( 7468 PWs) bands (ev): -32.0620 -32.0620 6.4119 6.4119 6.6395 6.6395 6.9096 6.9096 7.2167 7.2167 7.9955 7.9955 8.0822 8.0822 9.1423 9.1423 9.2197 9.2197 9.5322 9.5322 9.6309 9.6309 10.0994 10.0994 10.3571 10.3571 10.4778 10.4778 10.9651 10.9651 11.6286 11.6286 11.7813 11.7813 12.2753 12.2753 14.2078 14.2078 14.6199 14.6199 16.3822 16.3822 17.5393 17.5393 k = 0.3393 0.5000 0.3393 ( 7464 PWs) bands (ev): -32.0620 -32.0620 6.4097 6.4097 6.6639 6.6639 6.9609 6.9609 7.2439 7.2439 7.9914 7.9914 8.0809 8.0809 9.0974 9.0974 9.2304 9.2304 9.4957 9.4957 9.5585 9.5585 10.0419 10.0419 10.3235 10.3235 10.4596 10.4596 10.9213 10.9213 11.5839 11.5839 11.7648 11.7648 12.2291 12.2291 14.3395 14.3395 14.7497 14.7497 16.3898 16.3898 17.6464 17.6464 k = 0.3304 0.5000 0.3304 ( 7468 PWs) bands (ev): -32.0620 -32.0620 6.4070 6.4070 6.6894 6.6894 7.0136 7.0136 7.2721 7.2721 7.9864 7.9864 8.0778 8.0778 9.0525 9.0525 9.2417 9.2417 9.4473 9.4473 9.4864 9.4864 9.9850 9.9850 10.3025 10.3025 10.4446 10.4446 10.8793 10.8793 11.5390 11.5390 11.7486 11.7486 12.1823 12.1823 14.4732 14.4732 14.8820 14.8820 16.3978 16.3978 17.7541 17.7541 k = 0.3214 0.5000 0.3214 ( 7470 PWs) bands (ev): -32.0620 -32.0620 6.4038 6.4038 6.7158 6.7158 7.0672 7.0672 7.3015 7.3015 7.9803 7.9803 8.0731 8.0731 9.0090 9.0090 9.2466 9.2466 9.3700 9.3700 9.4394 9.4394 9.9320 9.9320 10.2916 10.2916 10.4309 10.4309 10.8386 10.8386 11.4943 11.4943 11.7324 11.7324 12.1353 12.1353 14.6089 14.6089 15.0166 15.0166 16.4064 16.4064 17.8616 17.8616 k = 0.3125 0.5000 0.3125 ( 7478 PWs) bands (ev): -32.0620 -32.0620 6.4001 6.4001 6.7433 6.7433 7.1216 7.1216 7.3318 7.3318 7.9725 7.9725 8.0669 8.0669 8.9670 8.9670 9.2146 9.2146 9.3127 9.3127 9.4021 9.4021 9.8849 9.8849 10.2882 10.2882 10.4178 10.4178 10.7991 10.7991 11.4499 11.4499 11.7158 11.7158 12.0883 12.0883 14.7464 14.7464 15.1534 15.1534 16.4159 16.4159 17.9685 17.9685 k = 0.3036 0.5000 0.3036 ( 7470 PWs) bands (ev): -32.0620 -32.0620 6.3958 6.3958 6.7716 6.7716 7.1764 7.1764 7.3629 7.3629 7.9624 7.9624 8.0597 8.0597 8.9254 8.9254 9.1268 9.1268 9.3050 9.3050 9.3668 9.3668 9.8454 9.8454 10.2900 10.2900 10.4052 10.4052 10.7605 10.7605 11.4059 11.4059 11.6987 11.6987 12.0417 12.0417 14.8856 14.8856 15.2922 15.2922 16.4264 16.4264 18.0742 18.0742 k = 0.2946 0.5000 0.2946 ( 7470 PWs) bands (ev): -32.0620 -32.0620 6.3908 6.3908 6.8007 6.8007 7.2313 7.2313 7.3947 7.3947 7.9493 7.9493 8.0523 8.0523 8.8801 8.8801 9.0293 9.0293 9.3051 9.3051 9.3343 9.3343 9.8151 9.8151 10.2954 10.2954 10.3930 10.3930 10.7228 10.7228 11.3625 11.3625 11.6810 11.6810 11.9956 11.9956 15.0263 15.0263 15.4328 15.4328 16.4382 16.4382 18.1782 18.1782 k = 0.2857 0.5000 0.2857 ( 7480 PWs) bands (ev): -32.0620 -32.0620 6.3850 6.3850 6.8306 6.8306 7.2860 7.2860 7.4269 7.4269 7.9328 7.9328 8.0452 8.0452 8.8200 8.8200 8.9465 8.9465 9.2886 9.2886 9.3160 9.3160 9.7957 9.7957 10.3031 10.3031 10.3815 10.3815 10.6859 10.6859 11.3198 11.3198 11.6624 11.6624 11.9506 11.9506 15.1684 15.1684 15.5751 15.5751 16.4514 16.4514 18.2801 18.2801 k = 0.2768 0.5000 0.2768 ( 7470 PWs) bands (ev): -32.0620 -32.0620 6.3783 6.3783 6.8611 6.8611 7.3402 7.3402 7.4592 7.4592 7.9127 7.9127 8.0389 8.0389 8.7349 8.7349 8.8922 8.8922 9.2572 9.2572 9.3072 9.3072 9.7884 9.7884 10.3112 10.3112 10.3714 10.3714 10.6499 10.6499 11.2780 11.2780 11.6426 11.6426 11.9069 11.9069 15.3119 15.3119 15.7192 15.7192 16.4663 16.4663 18.3795 18.3795 k = 0.2679 0.5000 0.2679 ( 7474 PWs) bands (ev): -32.0620 -32.0620 6.3706 6.3706 6.8923 6.8923 7.3935 7.3935 7.4913 7.4913 7.8892 7.8892 8.0337 8.0337 8.6352 8.6352 8.8574 8.8574 9.2242 9.2242 9.2937 9.2937 9.7931 9.7931 10.3174 10.3174 10.3643 10.3643 10.6150 10.6150 11.2371 11.2371 11.6213 11.6213 11.8653 11.8653 15.4565 15.4565 15.8648 15.8648 16.4831 16.4831 18.4760 18.4760 k = 0.2589 0.5000 0.2589 ( 7468 PWs) bands (ev): -32.0620 -32.0620 6.3617 6.3617 6.9239 6.9239 7.4454 7.4454 7.5227 7.5227 7.8629 7.8629 8.0295 8.0295 8.5325 8.5325 8.8317 8.8317 9.1917 9.1917 9.2746 9.2746 9.8087 9.8087 10.3182 10.3182 10.3625 10.3625 10.5819 10.5819 11.1974 11.1974 11.5982 11.5982 11.8262 11.8262 15.6020 15.6020 16.0118 16.0118 16.5021 16.5021 18.5695 18.5695 k = 0.2500 0.5000 0.2500 ( 7480 PWs) bands (ev): -32.0621 -32.0621 6.3516 6.3516 6.9559 6.9559 7.4956 7.4956 7.5526 7.5526 7.8348 7.8348 8.0261 8.0261 8.4319 8.4319 8.8107 8.8107 9.1600 9.1600 9.2514 9.2514 9.8331 9.8331 10.3129 10.3129 10.3655 10.3655 10.5516 10.5516 11.1590 11.1590 11.5730 11.5730 11.7904 11.7904 15.7483 15.7483 16.1603 16.1603 16.5236 16.5236 18.6598 18.6598 k = 0.2411 0.5000 0.2411 ( 7472 PWs) bands (ev): -32.0621 -32.0621 6.3402 6.3402 6.9882 6.9882 7.5433 7.5433 7.5799 7.5799 7.8062 7.8062 8.0235 8.0235 8.3362 8.3362 8.7925 8.7925 9.1294 9.1294 9.2259 9.2259 9.8639 9.8639 10.3043 10.3043 10.3682 10.3682 10.5261 10.5261 11.1222 11.1222 11.5454 11.5454 11.7584 11.7584 15.8951 15.8951 16.3100 16.3100 16.5480 16.5480 18.7467 18.7467 k = 0.2321 0.5000 0.2321 ( 7482 PWs) bands (ev): -32.0621 -32.0621 6.3272 6.3272 7.0207 7.0207 7.5854 7.5854 7.6049 7.6049 7.7788 7.7788 8.0214 8.0214 8.2478 8.2478 8.7762 8.7762 9.0999 9.0999 9.2001 9.2001 9.8987 9.8987 10.2944 10.2944 10.3656 10.3656 10.5082 10.5082 11.0871 11.0871 11.5155 11.5155 11.7305 11.7305 16.0419 16.0419 16.4610 16.4610 16.5759 16.5759 18.8302 18.8302 k = 0.2232 0.5000 0.2232 ( 7478 PWs) bands (ev): -32.0621 -32.0621 6.3126 6.3126 7.0530 7.0530 7.6076 7.6076 7.6375 7.6375 7.7551 7.7551 8.0198 8.0198 8.1696 8.1696 8.7610 8.7610 9.0716 9.0716 9.1755 9.1755 9.9352 9.9352 10.2842 10.2842 10.3550 10.3550 10.4999 10.4999 11.0540 11.0540 11.4838 11.4838 11.7070 11.7070 16.1878 16.1878 16.6049 16.6049 16.6164 16.6164 18.9103 18.9103 k = 0.2143 0.5000 0.2143 ( 7474 PWs) bands (ev): -32.0621 -32.0621 6.2962 6.2962 7.0850 7.0850 7.6086 7.6086 7.6729 7.6729 7.7378 7.7378 8.0188 8.0188 8.1053 8.1053 8.7462 8.7462 9.0442 9.0442 9.1535 9.1535 9.9713 9.9713 10.2734 10.2734 10.3381 10.3381 10.5000 10.5000 11.0231 11.0231 11.4510 11.4510 11.6877 11.6877 16.3312 16.3312 16.6460 16.6460 16.7669 16.7669 18.9871 18.9871 k = 0.2054 0.5000 0.2054 ( 7480 PWs) bands (ev): -32.0621 -32.0621 6.2780 6.2780 7.1164 7.1164 7.5955 7.5955 7.6910 7.6910 7.7361 7.7361 8.0185 8.0185 8.0597 8.0597 8.7316 8.7316 9.0178 9.0178 9.1352 9.1352 10.0047 10.0047 10.2599 10.2599 10.3210 10.3210 10.5047 10.5047 10.9946 10.9946 11.4181 11.4181 11.6727 11.6727 16.4679 16.4679 16.6950 16.6950 16.9212 16.9212 19.0608 19.0608 k = 0.1964 0.5000 0.1964 ( 7476 PWs) bands (ev): -32.0621 -32.0621 6.2579 6.2579 7.1467 7.1467 7.5734 7.5734 7.6736 7.6736 7.7603 7.7603 8.0191 8.0191 8.0353 8.0353 8.7170 8.7170 8.9924 8.9924 9.1211 9.1211 10.0332 10.0332 10.2406 10.2406 10.3106 10.3106 10.5109 10.5109 10.9683 10.9683 11.3863 11.3863 11.6618 11.6618 16.5872 16.5872 16.7651 16.7651 17.0764 17.0764 19.1314 19.1314 k = 0.1875 0.5000 0.1875 ( 7464 PWs) bands (ev): -32.0621 -32.0621 6.2359 6.2359 7.1753 7.1753 7.5473 7.5473 7.6393 7.6393 7.7898 7.7898 8.0182 8.0182 8.0328 8.0328 8.7022 8.7022 8.9680 8.9680 9.1115 9.1115 10.0547 10.0547 10.2150 10.2150 10.3102 10.3102 10.5161 10.5161 10.9440 10.9440 11.3566 11.3566 11.6551 11.6551 16.6766 16.6766 16.8691 16.8691 17.2325 17.2325 19.1993 19.1993 k = 0.1786 0.5000 0.1786 ( 7468 PWs) bands (ev): -32.0621 -32.0621 6.2120 6.2120 7.2012 7.2012 7.5197 7.5197 7.5985 7.5985 7.8181 7.8181 8.0161 8.0161 8.0458 8.0458 8.6873 8.6873 8.9450 8.9450 9.1063 9.1063 10.0684 10.0684 10.1858 10.1858 10.3181 10.3181 10.5190 10.5190 10.9211 10.9211 11.3303 11.3303 11.6529 11.6529 16.7440 16.7440 16.9991 16.9991 17.3894 17.3894 19.2646 19.2646 k = 0.1696 0.5000 0.1696 ( 7496 PWs) bands (ev): -32.0621 -32.0621 6.1864 6.1864 7.2230 7.2230 7.4914 7.4914 7.5588 7.5588 7.8441 7.8441 8.0152 8.0152 8.0662 8.0662 8.6725 8.6725 8.9238 8.9238 9.1053 9.1053 10.0747 10.0747 10.1553 10.1553 10.3317 10.3317 10.5186 10.5186 10.8986 10.8986 11.3084 11.3084 11.6556 11.6556 16.8044 16.8044 17.1401 17.1401 17.5470 17.5470 19.3277 19.3277 k = 0.1607 0.5000 0.1607 ( 7480 PWs) bands (ev): -32.0621 -32.0621 6.1591 6.1591 7.2391 7.2391 7.4605 7.4605 7.5276 7.5276 7.8673 7.8673 8.0152 8.0152 8.0903 8.0903 8.6579 8.6579 8.9047 8.9047 9.1078 9.1078 10.0745 10.0745 10.1254 10.1254 10.3484 10.3484 10.5147 10.5147 10.8754 10.8754 11.2915 11.2915 11.6635 11.6635 16.8649 16.8649 17.2853 17.2853 17.7051 17.7051 19.3887 19.3887 k = 0.1518 0.5000 0.1518 ( 7460 PWs) bands (ev): -32.0621 -32.0621 6.1305 6.1305 7.2474 7.2474 7.4256 7.4256 7.5106 7.5106 7.8874 7.8874 8.0163 8.0163 8.1159 8.1159 8.6437 8.6437 8.8881 8.8881 9.1134 9.1134 10.0678 10.0678 10.0984 10.0984 10.3660 10.3660 10.5075 10.5075 10.8503 10.8503 11.2796 11.2796 11.6771 11.6771 16.9281 16.9281 17.4316 17.4316 17.8637 17.8637 19.4478 19.4478 k = 0.1429 0.5000 0.1429 ( 7468 PWs) bands (ev): -32.0622 -32.0622 6.1008 6.1008 7.2472 7.2472 7.3890 7.3890 7.5074 7.5074 7.9039 7.9039 8.0189 8.0189 8.1414 8.1414 8.6299 8.6299 8.8746 8.8746 9.1215 9.1215 10.0514 10.0514 10.0797 10.0797 10.3829 10.3829 10.4973 10.4973 10.8225 10.8225 11.2723 11.2723 11.6964 11.6964 16.9953 16.9953 17.5780 17.5780 18.0225 18.0225 19.5055 19.5055 k = 0.1339 0.5000 0.1339 ( 7464 PWs) bands (ev): -32.0622 -32.0622 6.0703 6.0703 7.2394 7.2394 7.3536 7.3536 7.5149 7.5149 7.9161 7.9161 8.0236 8.0236 8.1659 8.1659 8.6163 8.6163 8.8644 8.8644 9.1314 9.1314 10.0274 10.0274 10.0684 10.0684 10.3981 10.3981 10.4848 10.4848 10.7920 10.7920 11.2687 11.2687 11.7214 11.7214 17.0672 17.0672 17.7235 17.7235 18.1814 18.1814 19.5617 19.5617 k = 0.1250 0.5000 0.1250 ( 7472 PWs) bands (ev): -32.0622 -32.0622 6.0395 6.0395 7.2260 7.2260 7.3208 7.3208 7.5297 7.5297 7.9238 7.9238 8.0308 8.0308 8.1889 8.1889 8.6028 8.6028 8.8579 8.8579 9.1428 9.1428 10.0023 10.0023 10.0594 10.0594 10.4111 10.4111 10.4709 10.4709 10.7589 10.7589 11.2675 11.2675 11.7515 11.7515 17.1442 17.1442 17.8674 17.8674 18.3402 18.3402 19.6169 19.6169 k = 0.1161 0.5000 0.1161 ( 7470 PWs) bands (ev): -32.0622 -32.0622 6.0088 6.0088 7.2092 7.2092 7.2912 7.2912 7.5489 7.5489 7.9271 7.9271 8.0405 8.0405 8.2101 8.2101 8.5891 8.5891 8.8551 8.8551 9.1550 9.1550 9.9786 9.9786 10.0510 10.0510 10.4210 10.4210 10.4566 10.4566 10.7237 10.7237 11.2679 11.2679 11.7859 11.7859 17.2265 17.2265 18.0092 18.0092 18.4985 18.4985 19.6711 19.6711 k = 0.1071 0.5000 0.1071 ( 7462 PWs) bands (ev): -32.0622 -32.0622 5.9785 5.9785 7.1909 7.1909 7.2649 7.2649 7.5705 7.5705 7.9268 7.9268 8.0521 8.0521 8.2294 8.2294 8.5751 8.5751 8.8559 8.8559 9.1676 9.1676 9.9570 9.9570 10.0432 10.0432 10.4247 10.4247 10.4455 10.4455 10.6872 10.6872 11.2691 11.2691 11.8235 11.8235 17.3142 17.3142 18.1484 18.1484 18.6561 18.6561 19.7244 19.7244 k = 0.0982 0.5000 0.0982 ( 7454 PWs) bands (ev): -32.0622 -32.0622 5.9491 5.9491 7.1720 7.1720 7.2419 7.2419 7.5931 7.5931 7.9237 7.9237 8.0650 8.0650 8.2469 8.2469 8.5607 8.5607 8.8600 8.8600 9.1800 9.1800 9.9380 9.9380 10.0363 10.0363 10.4160 10.4160 10.4446 10.4446 10.6498 10.6498 11.2707 11.2707 11.8630 11.8630 17.4072 17.4072 18.2843 18.2843 18.8125 18.8125 19.7771 19.7771 k = 0.0893 0.5000 0.0893 ( 7454 PWs) bands (ev): -32.0622 -32.0622 5.9209 5.9209 7.1535 7.1535 7.2220 7.2220 7.6159 7.6159 7.9184 7.9184 8.0787 8.0787 8.2628 8.2628 8.5457 8.5457 8.8666 8.8666 9.1919 9.1919 9.9218 9.9218 10.0304 10.0304 10.4013 10.4013 10.4476 10.4476 10.6123 10.6123 11.2725 11.2725 11.9032 11.9032 17.5053 17.5053 18.4163 18.4163 18.9669 18.9669 19.8291 19.8291 k = 0.0804 0.5000 0.0804 ( 7462 PWs) bands (ev): -32.0622 -32.0622 5.8943 5.8943 7.1358 7.1358 7.2048 7.2048 7.6383 7.6383 7.9116 7.9116 8.0926 8.0926 8.2773 8.2773 8.5302 8.5302 8.8753 8.8753 9.2030 9.2030 9.9085 9.9085 10.0258 10.0258 10.3855 10.3855 10.4503 10.4503 10.5753 10.5753 11.2742 11.2742 11.9429 11.9429 17.6078 17.6078 18.5440 18.5440 19.1184 19.1184 19.8805 19.8805 k = 0.0714 0.5000 0.0714 ( 7458 PWs) bands (ev): -32.0622 -32.0622 5.8697 5.8697 7.1193 7.1193 7.1902 7.1902 7.6599 7.6599 7.9037 7.9037 8.1065 8.1065 8.2907 8.2907 8.5144 8.5144 8.8852 8.8852 9.2129 9.2129 9.8981 9.8981 10.0229 10.0229 10.3696 10.3696 10.4518 10.4518 10.5395 10.5395 11.2759 11.2759 11.9811 11.9811 17.7140 17.7140 18.6667 18.6667 19.2658 19.2658 19.9315 19.9315 k = 0.0625 0.5000 0.0625 ( 7482 PWs) bands (ev): -32.0622 -32.0622 5.8474 5.8474 7.1044 7.1044 7.1779 7.1779 7.6804 7.6804 7.8951 7.8951 8.1201 8.1201 8.3033 8.3033 8.4983 8.4983 8.8956 8.8956 9.2215 9.2215 9.8904 9.8904 10.0217 10.0217 10.3538 10.3538 10.4522 10.4522 10.5058 10.5058 11.2776 11.2776 12.0168 12.0168 17.8226 17.8226 18.7842 18.7842 19.4072 19.4072 19.9820 19.9820 k = 0.0536 0.5000 0.0536 ( 7478 PWs) bands (ev): -32.0622 -32.0622 5.8275 5.8275 7.0912 7.0912 7.1676 7.1676 7.6996 7.6996 7.8858 7.8858 8.1332 8.1332 8.3153 8.3153 8.4820 8.4820 8.9058 8.9058 9.2288 9.2288 9.8851 9.8851 10.0224 10.0224 10.3381 10.3381 10.4511 10.4511 10.4756 10.4756 11.2791 11.2791 12.0493 12.0493 17.9317 17.9317 18.8964 18.8964 19.5396 19.5396 20.0318 20.0318 k = 0.0446 0.5000 0.0446 ( 7486 PWs) bands (ev): -32.0623 -32.0623 5.8103 5.8103 7.0798 7.0798 7.1592 7.1592 7.7174 7.7174 7.8763 7.8763 8.1453 8.1453 8.3270 8.3270 8.4657 8.4657 8.9153 8.9153 9.2347 9.2347 9.8817 9.8817 10.0250 10.0250 10.3225 10.3225 10.4424 10.4424 10.4562 10.4562 11.2804 11.2804 12.0778 12.0778 18.0383 18.0383 19.0037 19.0037 19.6594 19.6594 20.0790 20.0790 k = 0.0357 0.5000 0.0357 ( 7468 PWs) bands (ev): -32.0622 -32.0622 5.7960 5.7960 7.0704 7.0704 7.1525 7.1525 7.7335 7.7335 7.8667 7.8667 8.1561 8.1561 8.3385 8.3385 8.4496 8.4496 8.9236 8.9236 9.2393 9.2393 9.8797 9.8797 10.0292 10.0292 10.3070 10.3070 10.4220 10.4220 10.4527 10.4527 11.2816 11.2816 12.1018 12.1018 18.1386 18.1386 19.1070 19.1070 19.7616 19.7616 20.1105 20.1105 k = 0.0268 0.5000 0.0268 ( 7484 PWs) bands (ev): -32.0623 -32.0623 5.7847 5.7847 7.0631 7.0631 7.1474 7.1474 7.7478 7.7478 7.8575 7.8575 8.1651 8.1651 8.3502 8.3502 8.4337 8.4337 8.9304 8.9304 9.2428 9.2428 9.8787 9.8787 10.0345 10.0345 10.2924 10.2924 10.4047 10.4047 10.4514 10.4514 11.2825 11.2825 12.1210 12.1210 18.2274 18.2274 19.2080 19.2080 19.8418 19.8418 20.0592 20.0592 k = 0.0179 0.5000 0.0179 ( 7484 PWs) bands (ev): -32.0623 -32.0623 5.7766 5.7766 7.0578 7.0578 7.1439 7.1439 7.7595 7.7595 7.8493 7.8493 8.1719 8.1719 8.3622 8.3622 8.4184 8.4184 8.9354 8.9354 9.2451 9.2451 9.8782 9.8782 10.0397 10.0397 10.2799 10.2799 10.3924 10.3924 10.4504 10.4504 11.2832 11.2832 12.1348 12.1348 18.2980 18.2980 19.3072 19.3072 19.8956 19.8956 19.9288 19.9288 k = 0.0089 0.5000 0.0089 ( 7480 PWs) bands (ev): -32.0623 -32.0623 5.7717 5.7717 7.0546 7.0546 7.1417 7.1417 7.7676 7.7676 7.8432 7.8432 8.1762 8.1762 8.3745 8.3745 8.4041 8.4041 8.9384 8.9384 9.2465 9.2465 9.8781 9.8781 10.0437 10.0437 10.2713 10.2713 10.3852 10.3852 10.4498 10.4498 11.2836 11.2836 12.1433 12.1433 18.3440 18.3440 19.3984 19.3984 19.8006 19.8006 19.9317 19.9317 k = 0.0000 0.5000-0.0000 ( 7464 PWs) bands (ev): -32.0623 -32.0623 5.7700 5.7700 7.0535 7.0535 7.1410 7.1410 7.7706 7.7706 7.8409 7.8409 8.1777 8.1777 8.3836 8.3836 8.3942 8.3942 8.9394 8.9394 9.2470 9.2470 9.8780 9.8780 10.0452 10.0452 10.2682 10.2682 10.3828 10.3828 10.4496 10.4496 11.2838 11.2838 12.1461 12.1461 18.3599 18.3599 19.4451 19.4451 19.7416 19.7416 19.9421 19.9421 k = 0.5000 0.5000-0.0000 ( 7452 PWs) bands (ev): -32.0620 -32.0620 7.0667 7.0667 7.0668 7.0668 7.7140 7.7140 7.8250 7.8250 7.8256 7.8256 8.1957 8.1957 8.4259 8.4259 8.6938 8.6938 8.7282 8.7282 9.2996 9.2996 9.6569 9.6569 9.7373 9.7373 10.0341 10.0341 10.5625 10.5625 10.7205 10.7205 10.7528 10.7528 13.6819 13.6819 13.7050 13.7050 13.7520 13.7520 22.1413 22.1413 22.5322 22.5322 k = 0.5000 0.5000 0.0125 ( 7452 PWs) bands (ev): -32.0620 -32.0620 7.0653 7.0653 7.0655 7.0655 7.6970 7.6970 7.8230 7.8230 7.8392 7.8392 8.1946 8.1946 8.4283 8.4283 8.6980 8.6980 8.7305 8.7305 9.3017 9.3017 9.6590 9.6590 9.7351 9.7351 10.0343 10.0343 10.5666 10.5666 10.7215 10.7215 10.7534 10.7534 13.6794 13.6794 13.7047 13.7047 13.7533 13.7533 22.0843 22.0843 22.4260 22.4260 k = 0.5000 0.5000 0.0250 ( 7452 PWs) bands (ev): -32.0620 -32.0620 7.0611 7.0611 7.0616 7.0616 7.6598 7.6598 7.8155 7.8155 7.8681 7.8681 8.1914 8.1914 8.4355 8.4355 8.7100 8.7100 8.7376 8.7376 9.3081 9.3081 9.6655 9.6655 9.7285 9.7285 10.0352 10.0352 10.5789 10.5789 10.7244 10.7244 10.7555 10.7555 13.6725 13.6725 13.7037 13.7037 13.7568 13.7568 21.9368 21.9368 22.2246 22.2246 k = 0.5000 0.5000 0.0375 ( 7460 PWs) bands (ev): -32.0620 -32.0620 7.0542 7.0542 7.0551 7.0551 7.6151 7.6151 7.8032 7.8032 7.8988 7.8988 8.1866 8.1866 8.4480 8.4480 8.7293 8.7293 8.7491 8.7491 9.3185 9.3185 9.6763 9.6763 9.7177 9.7177 10.0373 10.0373 10.5986 10.5986 10.7283 10.7283 10.7597 10.7597 13.6621 13.6621 13.7019 13.7019 13.7614 13.7614 21.7411 21.7411 22.0026 22.0026 k = 0.5000 0.5000 0.0500 ( 7452 PWs) bands (ev): -32.0620 -32.0620 7.0447 7.0447 7.0462 7.0462 7.5672 7.5672 7.7865 7.7865 7.9269 7.9269 8.1810 8.1810 8.4660 8.4660 8.7547 8.7547 8.7646 8.7646 9.3330 9.3330 9.6912 9.6912 9.7030 9.7030 10.0412 10.0412 10.6248 10.6248 10.7322 10.7322 10.7674 10.7674 13.6490 13.6490 13.6995 13.6995 13.7664 13.7664 21.5245 21.5245 21.7752 21.7752 k = 0.5000 0.5000 0.0625 ( 7456 PWs) bands (ev): -32.0620 -32.0620 7.0326 7.0326 7.0349 7.0349 7.5177 7.5177 7.7657 7.7657 7.9510 7.9510 8.1751 8.1751 8.4898 8.4898 8.7838 8.7838 8.7852 8.7852 9.3513 9.3513 9.6850 9.6850 9.7104 9.7104 10.0475 10.0475 10.6565 10.6565 10.7352 10.7352 10.7791 10.7791 13.6337 13.6337 13.6962 13.6962 13.7712 13.7712 21.2991 21.2991 21.5466 21.5466 k = 0.5000 0.5000 0.0750 ( 7460 PWs) bands (ev): -32.0620 -32.0620 7.0183 7.0183 7.0214 7.0214 7.4673 7.4673 7.7415 7.7415 7.9706 7.9706 8.1693 8.1693 8.5194 8.5194 8.8062 8.8062 8.8197 8.8197 9.3732 9.3732 9.6643 9.6643 9.7335 9.7335 10.0565 10.0565 10.6927 10.6927 10.7373 10.7373 10.7951 10.7951 13.6166 13.6166 13.6923 13.6923 13.7756 13.7756 21.0706 21.0706 21.3185 21.3185 k = 0.5000 0.5000 0.0875 ( 7460 PWs) bands (ev): -32.0620 -32.0620 7.0018 7.0018 7.0059 7.0059 7.4167 7.4167 7.7144 7.7144 7.9859 7.9859 8.1638 8.1638 8.5544 8.5544 8.8313 8.8313 8.8571 8.8571 9.3983 9.3983 9.6418 9.6418 9.7606 9.7606 10.0687 10.0687 10.7326 10.7326 10.7389 10.7389 10.8149 10.8149 13.5977 13.5977 13.6875 13.6875 13.7794 13.7794 20.8414 20.8414 21.0918 21.0918 k = 0.5000 0.5000 0.1000 ( 7472 PWs) bands (ev): -32.0620 -32.0620 6.9834 6.9834 6.9885 6.9885 7.3660 7.3660 7.6850 7.6850 7.9973 7.9973 8.1589 8.1589 8.5942 8.5942 8.8588 8.8588 8.8967 8.8967 9.4261 9.4261 9.6183 9.6183 9.7914 9.7914 10.0839 10.0839 10.7403 10.7403 10.7754 10.7754 10.8383 10.8383 13.5773 13.5773 13.6818 13.6818 13.7824 13.7824 20.6130 20.6130 20.8672 20.8672 k = 0.5000 0.5000 0.1125 ( 7460 PWs) bands (ev): -32.0620 -32.0620 6.9633 6.9633 6.9695 6.9695 7.3157 7.3157 7.6538 7.6538 8.0055 8.0055 8.1544 8.1544 8.6380 8.6380 8.8882 8.8882 8.9377 8.9377 9.4560 9.4560 9.5950 9.5950 9.8257 9.8257 10.1024 10.1024 10.7418 10.7418 10.8204 10.8204 10.8650 10.8650 13.5552 13.5552 13.6752 13.6752 13.7847 13.7847 20.3864 20.3864 20.6449 20.6449 k = 0.5000 0.5000 0.1250 ( 7472 PWs) bands (ev): -32.0620 -32.0620 6.9417 6.9417 6.9490 6.9490 7.2658 7.2658 7.6213 7.6213 8.0112 8.0112 8.1504 8.1504 8.6853 8.6853 8.9193 8.9193 8.9794 8.9794 9.4859 9.4859 9.5746 9.5746 9.8633 9.8633 10.1240 10.1240 10.7434 10.7434 10.8672 10.8672 10.8950 10.8950 13.5317 13.5317 13.6677 13.6677 13.7862 13.7862 20.1620 20.1620 20.4253 20.4253 k = 0.5000 0.5000 0.1375 ( 7472 PWs) bands (ev): -32.0620 -32.0620 6.9189 6.9189 6.9272 6.9272 7.2166 7.2166 7.5880 7.5880 8.0150 8.0150 8.1467 8.1467 8.7351 8.7351 8.9518 8.9518 9.0210 9.0210 9.5073 9.5073 9.5659 9.5659 9.9039 9.9039 10.1488 10.1488 10.7454 10.7454 10.9154 10.9154 10.9281 10.9281 13.5066 13.5066 13.6590 13.6590 13.7868 13.7868 19.9404 19.9404 20.2088 20.2088 k = 0.5000 0.5000 0.1500 ( 7480 PWs) bands (ev): -32.0620 -32.0620 6.8950 6.8950 6.9045 6.9045 7.1683 7.1683 7.5542 7.5542 8.0175 8.0175 8.1432 8.1432 8.7870 8.7870 8.9854 8.9854 9.0617 9.0617 9.5044 9.5044 9.5852 9.5852 9.9473 9.9473 10.1767 10.1767 10.7480 10.7480 10.9642 10.9642 10.9645 10.9645 13.4802 13.4802 13.6493 13.6493 13.7865 13.7865 19.7219 19.7219 19.9956 19.9956 k = 0.5000 0.5000 0.1625 ( 7464 PWs) bands (ev): -32.0620 -32.0620 6.8703 6.8703 6.8808 6.8808 7.1209 7.1209 7.5202 7.5202 8.0190 8.0190 8.1398 8.1398 8.8404 8.8404 9.0198 9.0198 9.1006 9.1006 9.4900 9.4900 9.6204 9.6204 9.9931 9.9931 10.2078 10.2078 10.7513 10.7513 11.0033 11.0033 11.0143 11.0143 13.4523 13.4523 13.6383 13.6383 13.7853 13.7853 19.5069 19.5069 19.7859 19.7859 k = 0.5000 0.5000 0.1750 ( 7472 PWs) bands (ev): -32.0620 -32.0620 6.8450 6.8450 6.8566 6.8566 7.0745 7.0745 7.4862 7.4862 8.0198 8.0198 8.1364 8.1364 8.8948 8.8948 9.0550 9.0550 9.1365 9.1365 9.4757 9.4757 9.6607 9.6607 10.0409 10.0409 10.2421 10.2421 10.7556 10.7556 11.0454 11.0454 11.0645 11.0645 13.4231 13.4231 13.6259 13.6259 13.7830 13.7830 19.2956 19.2956 19.5800 19.5800 k = 0.5000 0.5000 0.1875 ( 7488 PWs) bands (ev): -32.0620 -32.0620 6.8193 6.8193 6.8319 6.8319 7.0294 7.0294 7.4526 7.4526 8.0201 8.0201 8.1328 8.1328 8.9499 8.9499 9.0908 9.0908 9.1678 9.1678 9.4656 9.4656 9.7034 9.7034 10.0902 10.0902 10.2794 10.2794 10.7613 10.7613 11.0903 11.0903 11.1149 11.1149 13.3926 13.3926 13.6121 13.6121 13.7796 13.7796 19.0883 19.0883 19.3782 19.3782 k = 0.5000 0.5000 0.2000 ( 7472 PWs) bands (ev): -32.0620 -32.0620 6.7934 6.7934 6.8069 6.8069 6.9855 6.9855 7.4194 7.4194 8.0202 8.0202 8.1291 8.1291 9.0053 9.0053 9.1271 9.1271 9.1928 9.1928 9.4619 9.4619 9.7477 9.7477 10.1404 10.1404 10.3197 10.3197 10.7687 10.7687 11.1379 11.1379 11.1652 11.1652 13.3609 13.3609 13.5967 13.5967 13.7750 13.7750 18.8852 18.8852 19.1807 19.1807 k = 0.5000 0.5000 0.2125 ( 7480 PWs) bands (ev): -32.0620 -32.0620 6.7674 6.7674 6.7818 6.7818 6.9430 6.9430 7.3868 7.3868 8.0201 8.0201 8.1252 8.1252 9.0605 9.0605 9.1639 9.1639 9.2097 9.2097 9.4663 9.4663 9.7932 9.7932 10.1909 10.1909 10.3631 10.3631 10.7783 10.7783 11.1882 11.1882 11.2153 11.2153 13.3280 13.3280 13.5796 13.5796 13.7693 13.7693 18.6867 18.6867 18.9878 18.9878 k = 0.5000 0.5000 0.2250 ( 7488 PWs) bands (ev): -32.0620 -32.0620 6.7415 6.7415 6.7567 6.7567 6.9019 6.9019 7.3551 7.3551 8.0199 8.0199 8.1210 8.1210 9.1150 9.1150 9.2011 9.2011 9.2182 9.2182 9.4792 9.4792 9.8396 9.8396 10.2408 10.2408 10.4094 10.4094 10.7909 10.7909 11.2411 11.2411 11.2650 11.2650 13.2940 13.2940 13.5605 13.5605 13.7621 13.7621 18.4930 18.4930 18.7998 18.7998 k = 0.5000 0.5000 0.2375 ( 7480 PWs) bands (ev): -32.0620 -32.0620 6.7159 6.7159 6.7318 6.7318 6.8623 6.8623 7.3241 7.3241 8.0197 8.0197 8.1164 8.1164 9.1683 9.1683 9.2195 9.2195 9.2392 9.2392 9.4994 9.4994 9.8865 9.8865 10.2892 10.2892 10.4585 10.4585 10.8073 10.8073 11.2965 11.2965 11.3143 11.3143 13.2589 13.2589 13.5394 13.5394 13.7536 13.7536 18.3044 18.3044 18.6169 18.6169 k = 0.5000 0.5000 0.2500 ( 7488 PWs) bands (ev): -32.0620 -32.0620 6.6907 6.6907 6.7072 6.7072 6.8243 6.8243 7.2942 7.2942 8.0196 8.0196 8.1115 8.1115 9.2158 9.2158 9.2192 9.2192 9.2787 9.2787 9.5246 9.5246 9.9339 9.9339 10.3350 10.3350 10.5102 10.5102 10.8285 10.8285 11.3542 11.3542 11.3628 11.3628 13.2229 13.2229 13.5161 13.5161 13.7435 13.7435 18.1212 18.1212 18.4396 18.4396 k = 0.5000 0.5000 0.2625 ( 7480 PWs) bands (ev): -32.0620 -32.0620 6.6660 6.6660 6.6829 6.6829 6.7880 6.7880 7.2654 7.2654 8.0194 8.0194 8.1064 8.1064 9.2090 9.2090 9.2664 9.2664 9.3205 9.3205 9.5529 9.5529 9.9813 9.9813 10.3771 10.3771 10.5645 10.5645 10.8554 10.8554 11.4107 11.4107 11.4141 11.4141 13.1861 13.1861 13.4903 13.4903 13.7318 13.7318 17.9436 17.9436 18.2681 18.2681 k = 0.5000 0.5000 0.2750 ( 7480 PWs) bands (ev): -32.0620 -32.0620 6.6420 6.6420 6.6592 6.6592 6.7534 6.7534 7.2376 7.2376 8.0193 8.0193 8.1009 8.1009 9.2006 9.2006 9.3092 9.3092 9.3652 9.3652 9.5825 9.5825 10.0287 10.0287 10.4145 10.4145 10.6210 10.6210 10.8889 10.8889 11.4576 11.4576 11.4760 11.4760 13.1485 13.1485 13.4618 13.4618 13.7184 13.7184 17.7719 17.7719 18.1027 18.1027 k = 0.5000 0.5000 0.2875 ( 7472 PWs) bands (ev): -32.0620 -32.0620 6.6188 6.6188 6.6361 6.6361 6.7206 6.7206 7.2111 7.2111 8.0193 8.0193 8.0951 8.0951 9.1915 9.1915 9.3476 9.3476 9.4120 9.4120 9.6124 9.6124 10.0758 10.0758 10.4465 10.4465 10.6796 10.6796 10.9297 10.9297 11.5036 11.5036 11.5397 11.5397 13.1103 13.1103 13.4306 13.4306 13.7032 13.7032 17.6065 17.6065 17.9438 17.9438 k = 0.5000 0.5000 0.3000 ( 7496 PWs) bands (ev): -32.0620 -32.0620 6.5964 6.5964 6.6136 6.6136 6.6897 6.6897 7.1859 7.1859 8.0193 8.0193 8.0892 8.0892 9.1823 9.1823 9.3829 9.3829 9.4596 9.4596 9.6420 9.6420 10.1223 10.1223 10.4732 10.4732 10.7399 10.7399 10.9776 10.9776 11.5486 11.5486 11.6048 11.6048 13.0715 13.0715 13.3963 13.3963 13.6862 13.6862 17.4476 17.4476 17.7918 17.7918 k = 0.5000 0.5000 0.3125 ( 7484 PWs) bands (ev): -32.0620 -32.0620 6.5750 6.5750 6.5919 6.5919 6.6607 6.6607 7.1619 7.1619 8.0193 8.0193 8.0831 8.0831 9.1734 9.1734 9.4158 9.4158 9.5067 9.5067 9.6708 9.6708 10.1680 10.1680 10.4948 10.4948 10.8016 10.8016 11.0323 11.0323 11.5924 11.5924 11.6712 11.6712 13.0323 13.0323 13.3588 13.3588 13.6672 13.6672 17.2955 17.2955 17.6470 17.6470 k = 0.5000 0.5000 0.3250 ( 7496 PWs) bands (ev): -32.0620 -32.0620 6.5546 6.5546 6.5709 6.5709 6.6337 6.6337 7.1393 7.1393 8.0194 8.0194 8.0769 8.0769 9.1650 9.1650 9.4467 9.4467 9.5526 9.5526 9.6984 9.6984 10.2126 10.2126 10.5121 10.5121 10.8644 10.8644 11.0930 11.0930 11.6352 11.6352 11.7384 11.7384 12.9929 12.9929 13.3179 13.3179 13.6463 13.6463 17.1505 17.1505 17.5097 17.5097 k = 0.5000 0.5000 0.3375 ( 7496 PWs) bands (ev): -32.0620 -32.0620 6.5353 6.5353 6.5508 6.5508 6.6087 6.6087 7.1182 7.1182 8.0195 8.0195 8.0707 8.0707 9.1573 9.1573 9.4757 9.4757 9.5967 9.5967 9.7247 9.7247 10.2560 10.2560 10.5257 10.5257 10.9279 10.9279 11.1588 11.1588 11.6767 11.6767 11.8060 11.8060 12.9533 12.9533 13.2735 13.2735 13.6236 13.6236 17.0127 17.0127 17.3805 17.3805 k = 0.5000 0.5000 0.3500 ( 7488 PWs) bands (ev): -32.0620 -32.0620 6.5172 6.5172 6.5316 6.5316 6.5858 6.5858 7.0984 7.0984 8.0197 8.0197 8.0646 8.0646 9.1502 9.1502 9.5030 9.5030 9.6386 9.6386 9.7494 9.7494 10.2978 10.2978 10.5366 10.5366 10.9914 10.9914 11.2289 11.2289 11.7171 11.7171 11.8735 11.8735 12.9137 12.9137 13.2256 13.2256 13.5991 13.5991 16.8824 16.8824 17.2595 17.2595 k = 0.5000 0.5000 0.3625 ( 7488 PWs) bands (ev): -32.0620 -32.0620 6.5004 6.5004 6.5134 6.5134 6.5649 6.5649 7.0802 7.0802 8.0199 8.0199 8.0587 8.0587 9.1438 9.1438 9.5284 9.5284 9.6781 9.6781 9.7724 9.7724 10.3377 10.3377 10.5452 10.5452 11.0545 11.0545 11.3025 11.3025 11.7562 11.7562 11.9403 11.9403 12.8744 12.8744 13.1740 13.1740 13.5731 13.5731 16.7599 16.7599 17.1471 17.1471 k = 0.5000 0.5000 0.3750 ( 7504 PWs) bands (ev): -32.0620 -32.0620 6.4848 6.4848 6.4963 6.4963 6.5461 6.5461 7.0634 7.0634 8.0201 8.0201 8.0529 8.0529 9.1381 9.1381 9.5520 9.5520 9.7149 9.7149 9.7937 9.7937 10.3755 10.3755 10.5520 10.5520 11.1166 11.1166 11.3790 11.3790 11.7940 11.7940 12.0058 12.0058 12.8355 12.8355 13.1188 13.1188 13.5458 13.5458 16.6454 16.6454 17.0437 17.0437 k = 0.5000 0.5000 0.3875 ( 7496 PWs) bands (ev): -32.0620 -32.0620 6.4706 6.4706 6.4805 6.4805 6.5293 6.5293 7.0482 7.0482 8.0203 8.0203 8.0475 8.0475 9.1331 9.1331 9.5736 9.5736 9.7487 9.7487 9.8132 9.8132 10.4108 10.4108 10.5576 10.5576 11.1768 11.1768 11.4576 11.4576 11.8306 11.8306 12.0692 12.0692 12.7972 12.7972 13.0603 13.0603 13.5177 13.5177 16.5391 16.5391 16.9495 16.9495 k = 0.5000 0.5000 0.4000 ( 7520 PWs) bands (ev): -32.0620 -32.0620 6.4577 6.4577 6.4659 6.4659 6.5145 6.5145 7.0345 7.0345 8.0205 8.0205 8.0424 8.0424 9.1288 9.1288 9.5932 9.5932 9.7793 9.7793 9.8307 9.8307 10.4434 10.4434 10.5620 10.5620 11.2344 11.2344 11.5377 11.5377 11.8658 11.8658 12.1297 12.1297 12.7598 12.7598 12.9986 12.9986 13.4893 13.4893 16.4413 16.4413 16.8647 16.8647 k = 0.5000 0.5000 0.4125 ( 7504 PWs) bands (ev): -32.0620 -32.0620 6.4463 6.4463 6.4528 6.4528 6.5015 6.5015 7.0223 7.0223 8.0207 8.0207 8.0377 8.0377 9.1250 9.1250 9.6107 9.6107 9.8067 9.8067 9.8463 9.8463 10.4731 10.4731 10.5656 10.5656 11.2885 11.2885 11.6186 11.6186 11.8995 11.8995 12.1864 12.1864 12.7238 12.7238 12.9344 12.9344 13.4611 13.4611 16.3525 16.3525 16.7895 16.7895 k = 0.5000 0.5000 0.4250 ( 7504 PWs) bands (ev): -32.0620 -32.0620 6.4364 6.4364 6.4413 6.4413 6.4903 6.4903 7.0118 7.0118 8.0208 8.0208 8.0336 8.0336 9.1219 9.1219 9.6260 9.6260 9.8306 9.8306 9.8599 9.8599 10.4994 10.4994 10.5686 10.5686 11.3382 11.3382 11.6994 11.6994 11.9315 11.9315 12.2383 12.2383 12.6894 12.6894 12.8682 12.8682 13.4341 13.4341 16.2733 16.2733 16.7242 16.7242 k = 0.5000 0.5000 0.4375 ( 7504 PWs) bands (ev): -32.0620 -32.0620 6.4279 6.4279 6.4314 6.4314 6.4810 6.4810 7.0029 7.0029 8.0210 8.0210 8.0299 8.0299 9.1192 9.1192 9.6390 9.6390 9.8511 9.8511 9.8715 9.8715 10.5222 10.5222 10.5709 10.5709 11.3824 11.3824 11.7789 11.7789 11.9613 11.9613 12.2843 12.2843 12.6574 12.6574 12.8012 12.8012 13.4090 13.4090 16.2042 16.2042 16.6688 16.6688 k = 0.5000 0.5000 0.4500 ( 7512 PWs) bands (ev): -32.0620 -32.0620 6.4209 6.4209 6.4232 6.4232 6.4734 6.4734 6.9955 6.9955 8.0211 8.0211 8.0269 8.0269 9.1171 9.1171 9.6498 9.6498 9.8679 9.8679 9.8810 9.8810 10.5412 10.5412 10.5728 10.5728 11.4201 11.4201 11.8555 11.8555 11.9882 11.9882 12.3234 12.3234 12.6286 12.6286 12.7353 12.7353 13.3867 13.3867 16.1461 16.1461 16.6234 16.6234 k = 0.5000 0.5000 0.4625 ( 7520 PWs) bands (ev): -32.0620 -32.0620 6.4155 6.4155 6.4168 6.4168 6.4674 6.4674 6.9898 6.9898 8.0213 8.0213 8.0245 8.0245 9.1155 9.1155 9.6582 9.6582 9.8810 9.8810 9.8884 9.8884 10.5563 10.5563 10.5741 10.5741 11.4505 11.4505 11.9262 11.9262 12.0113 12.0113 12.3545 12.3545 12.6041 12.6041 12.6733 12.6733 13.3683 13.3683 16.0998 16.0998 16.5880 16.5880 k = 0.5000 0.5000 0.4750 ( 7528 PWs) bands (ev): -32.0620 -32.0620 6.4116 6.4116 6.4122 6.4122 6.4632 6.4632 6.9857 6.9857 8.0213 8.0213 8.0228 8.0228 9.1144 9.1144 9.6642 9.6642 9.8904 9.8904 9.8937 9.8937 10.5671 10.5671 10.5751 10.5751 11.4728 11.4728 11.9865 11.9865 12.0293 12.0293 12.3766 12.3766 12.5851 12.5851 12.6199 12.6199 13.3543 13.3543 16.0661 16.0661 16.5628 16.5628 k = 0.5000 0.5000 0.4875 ( 7568 PWs) bands (ev): -32.0620 -32.0620 6.4093 6.4093 6.4094 6.4094 6.4607 6.4607 6.9833 6.9833 8.0214 8.0214 8.0218 8.0218 9.1137 9.1137 9.6679 9.6679 9.8961 9.8961 9.8969 9.8969 10.5737 10.5737 10.5757 10.5757 11.4865 11.4865 12.0291 12.0291 12.0408 12.0408 12.3892 12.3892 12.5729 12.5729 12.5824 12.5824 13.3457 13.3457 16.0456 16.0456 16.5476 16.5477 k = 0.5000 0.5000 0.5000 ( 7568 PWs) bands (ev): -32.0620 -32.0620 6.4085 6.4085 6.4085 6.4085 6.4599 6.4599 6.9825 6.9825 8.0214 8.0214 8.0214 8.0214 9.1135 9.1135 9.6691 9.6691 9.8980 9.8980 9.8980 9.8980 10.5759 10.5759 10.5759 10.5759 11.4910 11.4910 12.0448 12.0448 12.0448 12.0448 12.3932 12.3932 12.5687 12.5687 12.5687 12.5687 13.3428 13.3428 16.0387 16.0387 16.5426 16.5426 Writing output data file LiAu3.save init_run : 0.22s CPU 0.36s WALL ( 1 calls) electrons : 208.56s CPU 211.19s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.04s WALL ( 1 calls) potinit : 0.02s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 208.56s CPU 211.18s WALL ( 1 calls) v_of_rho : 0.01s 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 : 0.04s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.07s CPU 0.08s WALL ( 307 calls) cegterg : 190.84s CPU 192.91s WALL ( 503 calls) Called by sum_band: Called by *egterg: h_psi : 126.34s CPU 128.01s WALL ( 8227 calls) s_psi : 5.59s CPU 5.53s WALL ( 8227 calls) g_psi : 0.44s CPU 0.45s WALL ( 7417 calls) cdiaghg : 46.50s CPU 47.29s WALL ( 7724 calls) cegterg:over : 9.00s CPU 8.94s WALL ( 7417 calls) cegterg:upda : 8.83s CPU 8.75s WALL ( 7417 calls) cegterg:last : 4.26s CPU 4.29s WALL ( 1427 calls) cdiaghg:chol : 2.78s CPU 2.77s WALL ( 7724 calls) cdiaghg:inve : 1.59s CPU 1.60s WALL ( 7724 calls) cdiaghg:para : 2.91s CPU 2.75s WALL ( 15448 calls) Called by h_psi: h_psi:vloc : 113.32s CPU 114.93s WALL ( 8227 calls) h_psi:vnl : 12.60s CPU 12.65s WALL ( 8227 calls) add_vuspsi : 6.40s CPU 6.39s WALL ( 8227 calls) General routines calbec : 6.18s CPU 6.24s WALL ( 8227 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 107.83s CPU 109.28s WALL ( 823472 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.23s CPU 0.28s WALL ( 614 calls) Parallel routines fft_scatter : 37.22s CPU 37.51s WALL ( 823495 calls) PWSCF : 3m46.51s CPU 4m 6.56s WALL This run was terminated on: 13:31:59 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=