Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 13:33:35 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: ./MnAu.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 34 26 8 924 600 101 Max 35 27 10 931 615 104 Sum 1245 949 293 33371 21879 3695 bravais-lattice index = 14 lattice parameter (alat) = 6.0887 a.u. unit-cell volume = 225.7216 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 26.00 number of Kohn-Sham states= 34 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 424.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.088697 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 Mn read from file: /users/gautes/Pseudo/Mn.rel-pbe-oncvpsp.UPF MD5 check sum: d838f0974ec4eb0180564ac5264e0bcc Pseudo is Norm-conserving, Zval = 15.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 1464 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 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 Mn 15.00 54.93800 Mn( 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= 376 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026596 k( 2) = ( 0.0000000 0.0102041 -0.0000000), wk = 0.0026596 k( 3) = ( 0.0000000 0.0204082 -0.0000000), wk = 0.0026596 k( 4) = ( 0.0000000 0.0306122 -0.0000000), wk = 0.0026596 k( 5) = ( 0.0000000 0.0408163 -0.0000000), wk = 0.0026596 k( 6) = ( 0.0000000 0.0510204 -0.0000000), wk = 0.0026596 k( 7) = ( 0.0000000 0.0612245 -0.0000000), wk = 0.0026596 k( 8) = ( 0.0000000 0.0714286 -0.0000000), wk = 0.0026596 k( 9) = ( 0.0000000 0.0816327 -0.0000000), wk = 0.0026596 k( 10) = ( 0.0000000 0.0918367 -0.0000000), wk = 0.0026596 k( 11) = ( 0.0000000 0.1020408 -0.0000000), wk = 0.0026596 k( 12) = ( 0.0000000 0.1122449 -0.0000000), wk = 0.0026596 k( 13) = ( 0.0000000 0.1224490 -0.0000000), wk = 0.0026596 k( 14) = ( 0.0000000 0.1326531 -0.0000000), wk = 0.0026596 k( 15) = ( 0.0000000 0.1428571 -0.0000000), wk = 0.0026596 k( 16) = ( 0.0000000 0.1530612 -0.0000000), wk = 0.0026596 k( 17) = ( 0.0000000 0.1632653 -0.0000000), wk = 0.0026596 k( 18) = ( 0.0000000 0.1734694 -0.0000000), wk = 0.0026596 k( 19) = ( 0.0000000 0.1836735 -0.0000000), wk = 0.0026596 k( 20) = ( 0.0000000 0.1938776 -0.0000000), wk = 0.0026596 k( 21) = ( 0.0000000 0.2040816 -0.0000000), wk = 0.0026596 k( 22) = ( 0.0000000 0.2142857 -0.0000000), wk = 0.0026596 k( 23) = ( 0.0000000 0.2244898 -0.0000000), wk = 0.0026596 k( 24) = ( 0.0000000 0.2346939 -0.0000000), wk = 0.0026596 k( 25) = ( 0.0000000 0.2448980 -0.0000000), wk = 0.0026596 k( 26) = ( 0.0000000 0.2551020 -0.0000000), wk = 0.0026596 k( 27) = ( 0.0000000 0.2653061 -0.0000000), wk = 0.0026596 k( 28) = ( 0.0000000 0.2755102 -0.0000000), wk = 0.0026596 k( 29) = ( 0.0000000 0.2857143 -0.0000000), wk = 0.0026596 k( 30) = ( 0.0000000 0.2959184 -0.0000000), wk = 0.0026596 k( 31) = ( 0.0000000 0.3061224 -0.0000000), wk = 0.0026596 k( 32) = ( 0.0000000 0.3163265 -0.0000000), wk = 0.0026596 k( 33) = ( 0.0000000 0.3265306 -0.0000000), wk = 0.0026596 k( 34) = ( 0.0000000 0.3367347 -0.0000000), wk = 0.0026596 k( 35) = ( 0.0000000 0.3469388 -0.0000000), wk = 0.0026596 k( 36) = ( 0.0000000 0.3571429 -0.0000000), wk = 0.0026596 k( 37) = ( 0.0000000 0.3673469 -0.0000000), wk = 0.0026596 k( 38) = ( 0.0000000 0.3775510 -0.0000000), wk = 0.0026596 k( 39) = ( 0.0000000 0.3877551 -0.0000000), wk = 0.0026596 k( 40) = ( 0.0000000 0.3979592 -0.0000000), wk = 0.0026596 k( 41) = ( 0.0000000 0.4081633 -0.0000000), wk = 0.0026596 k( 42) = ( 0.0000000 0.4183674 -0.0000000), wk = 0.0026596 k( 43) = ( 0.0000000 0.4285714 -0.0000000), wk = 0.0026596 k( 44) = ( 0.0000000 0.4387755 -0.0000000), wk = 0.0026596 k( 45) = ( 0.0000000 0.4489796 -0.0000000), wk = 0.0026596 k( 46) = ( 0.0000000 0.4591837 -0.0000000), wk = 0.0026596 k( 47) = ( 0.0000000 0.4693878 -0.0000000), wk = 0.0026596 k( 48) = ( 0.0000000 0.4795918 -0.0000000), wk = 0.0026596 k( 49) = ( 0.0000000 0.4897959 -0.0000000), wk = 0.0026596 k( 50) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026596 k( 51) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026596 k( 52) = ( 0.0102041 0.5000000 -0.0000000), wk = 0.0026596 k( 53) = ( 0.0204082 0.5000000 -0.0000000), wk = 0.0026596 k( 54) = ( 0.0306122 0.5000000 -0.0000000), wk = 0.0026596 k( 55) = ( 0.0408163 0.5000000 -0.0000000), wk = 0.0026596 k( 56) = ( 0.0510204 0.5000000 -0.0000000), wk = 0.0026596 k( 57) = ( 0.0612245 0.5000000 -0.0000000), wk = 0.0026596 k( 58) = ( 0.0714286 0.5000000 -0.0000000), wk = 0.0026596 k( 59) = ( 0.0816327 0.5000000 -0.0000000), wk = 0.0026596 k( 60) = ( 0.0918367 0.5000000 -0.0000000), wk = 0.0026596 k( 61) = ( 0.1020408 0.5000000 -0.0000000), wk = 0.0026596 k( 62) = ( 0.1122449 0.5000000 -0.0000000), wk = 0.0026596 k( 63) = ( 0.1224490 0.5000000 -0.0000000), wk = 0.0026596 k( 64) = ( 0.1326531 0.5000000 -0.0000000), wk = 0.0026596 k( 65) = ( 0.1428571 0.5000000 -0.0000000), wk = 0.0026596 k( 66) = ( 0.1530612 0.5000000 -0.0000000), wk = 0.0026596 k( 67) = ( 0.1632653 0.5000000 -0.0000000), wk = 0.0026596 k( 68) = ( 0.1734694 0.5000000 -0.0000000), wk = 0.0026596 k( 69) = ( 0.1836735 0.5000000 -0.0000000), wk = 0.0026596 k( 70) = ( 0.1938776 0.5000000 -0.0000000), wk = 0.0026596 k( 71) = ( 0.2040816 0.5000000 -0.0000000), wk = 0.0026596 k( 72) = ( 0.2142857 0.5000000 -0.0000000), wk = 0.0026596 k( 73) = ( 0.2244898 0.5000000 -0.0000000), wk = 0.0026596 k( 74) = ( 0.2346939 0.5000000 -0.0000000), wk = 0.0026596 k( 75) = ( 0.2448980 0.5000000 -0.0000000), wk = 0.0026596 k( 76) = ( 0.2551020 0.5000000 -0.0000000), wk = 0.0026596 k( 77) = ( 0.2653061 0.5000000 -0.0000000), wk = 0.0026596 k( 78) = ( 0.2755102 0.5000000 -0.0000000), wk = 0.0026596 k( 79) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0026596 k( 80) = ( 0.2959184 0.5000000 -0.0000000), wk = 0.0026596 k( 81) = ( 0.3061224 0.5000000 -0.0000000), wk = 0.0026596 k( 82) = ( 0.3163265 0.5000000 -0.0000000), wk = 0.0026596 k( 83) = ( 0.3265306 0.5000000 -0.0000000), wk = 0.0026596 k( 84) = ( 0.3367347 0.5000000 -0.0000000), wk = 0.0026596 k( 85) = ( 0.3469388 0.5000000 -0.0000000), wk = 0.0026596 k( 86) = ( 0.3571429 0.5000000 -0.0000000), wk = 0.0026596 k( 87) = ( 0.3673469 0.5000000 -0.0000000), wk = 0.0026596 k( 88) = ( 0.3775510 0.5000000 -0.0000000), wk = 0.0026596 k( 89) = ( 0.3877551 0.5000000 -0.0000000), wk = 0.0026596 k( 90) = ( 0.3979592 0.5000000 -0.0000000), wk = 0.0026596 k( 91) = ( 0.4081633 0.5000000 -0.0000000), wk = 0.0026596 k( 92) = ( 0.4183674 0.5000000 -0.0000000), wk = 0.0026596 k( 93) = ( 0.4285714 0.5000000 -0.0000000), wk = 0.0026596 k( 94) = ( 0.4387755 0.5000000 -0.0000000), wk = 0.0026596 k( 95) = ( 0.4489796 0.5000000 -0.0000000), wk = 0.0026596 k( 96) = ( 0.4591837 0.5000000 -0.0000000), wk = 0.0026596 k( 97) = ( 0.4693878 0.5000000 -0.0000000), wk = 0.0026596 k( 98) = ( 0.4795918 0.5000000 -0.0000000), wk = 0.0026596 k( 99) = ( 0.4897959 0.5000000 -0.0000000), wk = 0.0026596 k( 100) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026596 k( 101) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026596 k( 102) = ( 0.4927536 0.4927536 -0.0000000), wk = 0.0026596 k( 103) = ( 0.4855073 0.4855072 -0.0000000), wk = 0.0026596 k( 104) = ( 0.4782609 0.4782609 -0.0000000), wk = 0.0026596 k( 105) = ( 0.4710145 0.4710145 -0.0000000), wk = 0.0026596 k( 106) = ( 0.4637681 0.4637681 -0.0000000), wk = 0.0026596 k( 107) = ( 0.4565217 0.4565217 -0.0000000), wk = 0.0026596 k( 108) = ( 0.4492754 0.4492754 -0.0000000), wk = 0.0026596 k( 109) = ( 0.4420290 0.4420290 -0.0000000), wk = 0.0026596 k( 110) = ( 0.4347826 0.4347826 -0.0000000), wk = 0.0026596 k( 111) = ( 0.4275362 0.4275362 -0.0000000), wk = 0.0026596 k( 112) = ( 0.4202899 0.4202899 -0.0000000), wk = 0.0026596 k( 113) = ( 0.4130435 0.4130435 -0.0000000), wk = 0.0026596 k( 114) = ( 0.4057971 0.4057971 -0.0000000), wk = 0.0026596 k( 115) = ( 0.3985507 0.3985507 -0.0000000), wk = 0.0026596 k( 116) = ( 0.3913044 0.3913043 -0.0000000), wk = 0.0026596 k( 117) = ( 0.3840580 0.3840580 -0.0000000), wk = 0.0026596 k( 118) = ( 0.3768116 0.3768116 -0.0000000), wk = 0.0026596 k( 119) = ( 0.3695652 0.3695652 -0.0000000), wk = 0.0026596 k( 120) = ( 0.3623188 0.3623188 -0.0000000), wk = 0.0026596 k( 121) = ( 0.3550725 0.3550725 -0.0000000), wk = 0.0026596 k( 122) = ( 0.3478261 0.3478261 -0.0000000), wk = 0.0026596 k( 123) = ( 0.3405797 0.3405797 -0.0000000), wk = 0.0026596 k( 124) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0026596 k( 125) = ( 0.3260870 0.3260870 -0.0000000), wk = 0.0026596 k( 126) = ( 0.3188406 0.3188406 -0.0000000), wk = 0.0026596 k( 127) = ( 0.3115942 0.3115942 -0.0000000), wk = 0.0026596 k( 128) = ( 0.3043478 0.3043478 -0.0000000), wk = 0.0026596 k( 129) = ( 0.2971014 0.2971014 -0.0000000), wk = 0.0026596 k( 130) = ( 0.2898551 0.2898551 -0.0000000), wk = 0.0026596 k( 131) = ( 0.2826087 0.2826087 -0.0000000), wk = 0.0026596 k( 132) = ( 0.2753623 0.2753623 -0.0000000), wk = 0.0026596 k( 133) = ( 0.2681159 0.2681159 -0.0000000), wk = 0.0026596 k( 134) = ( 0.2608696 0.2608696 -0.0000000), wk = 0.0026596 k( 135) = ( 0.2536232 0.2536232 -0.0000000), wk = 0.0026596 k( 136) = ( 0.2463768 0.2463768 -0.0000000), wk = 0.0026596 k( 137) = ( 0.2391304 0.2391304 -0.0000000), wk = 0.0026596 k( 138) = ( 0.2318841 0.2318841 -0.0000000), wk = 0.0026596 k( 139) = ( 0.2246377 0.2246377 -0.0000000), wk = 0.0026596 k( 140) = ( 0.2173913 0.2173913 -0.0000000), wk = 0.0026596 k( 141) = ( 0.2101449 0.2101449 -0.0000000), wk = 0.0026596 k( 142) = ( 0.2028986 0.2028985 -0.0000000), wk = 0.0026596 k( 143) = ( 0.1956522 0.1956522 -0.0000000), wk = 0.0026596 k( 144) = ( 0.1884058 0.1884058 -0.0000000), wk = 0.0026596 k( 145) = ( 0.1811594 0.1811594 -0.0000000), wk = 0.0026596 k( 146) = ( 0.1739130 0.1739130 -0.0000000), wk = 0.0026596 k( 147) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0026596 k( 148) = ( 0.1594203 0.1594203 -0.0000000), wk = 0.0026596 k( 149) = ( 0.1521739 0.1521739 -0.0000000), wk = 0.0026596 k( 150) = ( 0.1449275 0.1449275 -0.0000000), wk = 0.0026596 k( 151) = ( 0.1376812 0.1376812 -0.0000000), wk = 0.0026596 k( 152) = ( 0.1304348 0.1304348 -0.0000000), wk = 0.0026596 k( 153) = ( 0.1231884 0.1231884 -0.0000000), wk = 0.0026596 k( 154) = ( 0.1159420 0.1159420 -0.0000000), wk = 0.0026596 k( 155) = ( 0.1086957 0.1086956 -0.0000000), wk = 0.0026596 k( 156) = ( 0.1014493 0.1014493 -0.0000000), wk = 0.0026596 k( 157) = ( 0.0942029 0.0942029 -0.0000000), wk = 0.0026596 k( 158) = ( 0.0869565 0.0869565 -0.0000000), wk = 0.0026596 k( 159) = ( 0.0797101 0.0797101 -0.0000000), wk = 0.0026596 k( 160) = ( 0.0724638 0.0724638 -0.0000000), wk = 0.0026596 k( 161) = ( 0.0652174 0.0652174 -0.0000000), wk = 0.0026596 k( 162) = ( 0.0579710 0.0579710 -0.0000000), wk = 0.0026596 k( 163) = ( 0.0507246 0.0507246 -0.0000000), wk = 0.0026596 k( 164) = ( 0.0434783 0.0434783 -0.0000000), wk = 0.0026596 k( 165) = ( 0.0362319 0.0362319 -0.0000000), wk = 0.0026596 k( 166) = ( 0.0289855 0.0289855 -0.0000000), wk = 0.0026596 k( 167) = ( 0.0217391 0.0217391 -0.0000000), wk = 0.0026596 k( 168) = ( 0.0144928 0.0144927 -0.0000000), wk = 0.0026596 k( 169) = ( 0.0072464 0.0072464 -0.0000000), wk = 0.0026596 k( 170) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026596 k( 171) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026596 k( 172) = ( 0.0058823 0.0058823 0.0058823), wk = 0.0026596 k( 173) = ( 0.0117647 0.0117647 0.0117647), wk = 0.0026596 k( 174) = ( 0.0176471 0.0176471 0.0176471), wk = 0.0026596 k( 175) = ( 0.0235294 0.0235294 0.0235294), wk = 0.0026596 k( 176) = ( 0.0294118 0.0294118 0.0294118), wk = 0.0026596 k( 177) = ( 0.0352941 0.0352941 0.0352941), wk = 0.0026596 k( 178) = ( 0.0411765 0.0411765 0.0411765), wk = 0.0026596 k( 179) = ( 0.0470588 0.0470588 0.0470588), wk = 0.0026596 k( 180) = ( 0.0529412 0.0529412 0.0529412), wk = 0.0026596 k( 181) = ( 0.0588235 0.0588235 0.0588235), wk = 0.0026596 k( 182) = ( 0.0647059 0.0647059 0.0647059), wk = 0.0026596 k( 183) = ( 0.0705882 0.0705882 0.0705882), wk = 0.0026596 k( 184) = ( 0.0764706 0.0764706 0.0764706), wk = 0.0026596 k( 185) = ( 0.0823529 0.0823529 0.0823529), wk = 0.0026596 k( 186) = ( 0.0882353 0.0882353 0.0882353), wk = 0.0026596 k( 187) = ( 0.0941176 0.0941176 0.0941176), wk = 0.0026596 k( 188) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0026596 k( 189) = ( 0.1058824 0.1058823 0.1058823), wk = 0.0026596 k( 190) = ( 0.1117647 0.1117647 0.1117647), wk = 0.0026596 k( 191) = ( 0.1176471 0.1176471 0.1176471), wk = 0.0026596 k( 192) = ( 0.1235294 0.1235294 0.1235294), wk = 0.0026596 k( 193) = ( 0.1294118 0.1294118 0.1294118), wk = 0.0026596 k( 194) = ( 0.1352941 0.1352941 0.1352941), wk = 0.0026596 k( 195) = ( 0.1411765 0.1411765 0.1411765), wk = 0.0026596 k( 196) = ( 0.1470588 0.1470588 0.1470588), wk = 0.0026596 k( 197) = ( 0.1529412 0.1529412 0.1529412), wk = 0.0026596 k( 198) = ( 0.1588235 0.1588235 0.1588235), wk = 0.0026596 k( 199) = ( 0.1647059 0.1647059 0.1647059), wk = 0.0026596 k( 200) = ( 0.1705882 0.1705882 0.1705882), wk = 0.0026596 k( 201) = ( 0.1764706 0.1764706 0.1764706), wk = 0.0026596 k( 202) = ( 0.1823529 0.1823529 0.1823529), wk = 0.0026596 k( 203) = ( 0.1882353 0.1882353 0.1882353), wk = 0.0026596 k( 204) = ( 0.1941177 0.1941176 0.1941176), wk = 0.0026596 k( 205) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0026596 k( 206) = ( 0.2058823 0.2058823 0.2058823), wk = 0.0026596 k( 207) = ( 0.2117647 0.2117647 0.2117647), wk = 0.0026596 k( 208) = ( 0.2176471 0.2176471 0.2176471), wk = 0.0026596 k( 209) = ( 0.2235294 0.2235294 0.2235294), wk = 0.0026596 k( 210) = ( 0.2294118 0.2294118 0.2294118), wk = 0.0026596 k( 211) = ( 0.2352941 0.2352941 0.2352941), wk = 0.0026596 k( 212) = ( 0.2411765 0.2411765 0.2411765), wk = 0.0026596 k( 213) = ( 0.2470588 0.2470588 0.2470588), wk = 0.0026596 k( 214) = ( 0.2529412 0.2529412 0.2529412), wk = 0.0026596 k( 215) = ( 0.2588235 0.2588235 0.2588235), wk = 0.0026596 k( 216) = ( 0.2647059 0.2647059 0.2647059), wk = 0.0026596 k( 217) = ( 0.2705882 0.2705882 0.2705882), wk = 0.0026596 k( 218) = ( 0.2764706 0.2764706 0.2764706), wk = 0.0026596 k( 219) = ( 0.2823529 0.2823529 0.2823529), wk = 0.0026596 k( 220) = ( 0.2882353 0.2882353 0.2882353), wk = 0.0026596 k( 221) = ( 0.2941177 0.2941176 0.2941176), wk = 0.0026596 k( 222) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0026596 k( 223) = ( 0.3058824 0.3058823 0.3058823), wk = 0.0026596 k( 224) = ( 0.3117647 0.3117647 0.3117647), wk = 0.0026596 k( 225) = ( 0.3176471 0.3176471 0.3176471), wk = 0.0026596 k( 226) = ( 0.3235294 0.3235294 0.3235294), wk = 0.0026596 k( 227) = ( 0.3294118 0.3294118 0.3294118), wk = 0.0026596 k( 228) = ( 0.3352941 0.3352941 0.3352941), wk = 0.0026596 k( 229) = ( 0.3411765 0.3411765 0.3411765), wk = 0.0026596 k( 230) = ( 0.3470588 0.3470588 0.3470588), wk = 0.0026596 k( 231) = ( 0.3529412 0.3529412 0.3529412), wk = 0.0026596 k( 232) = ( 0.3588235 0.3588235 0.3588235), wk = 0.0026596 k( 233) = ( 0.3647059 0.3647059 0.3647059), wk = 0.0026596 k( 234) = ( 0.3705882 0.3705882 0.3705882), wk = 0.0026596 k( 235) = ( 0.3764706 0.3764706 0.3764706), wk = 0.0026596 k( 236) = ( 0.3823529 0.3823529 0.3823529), wk = 0.0026596 k( 237) = ( 0.3882353 0.3882353 0.3882353), wk = 0.0026596 k( 238) = ( 0.3941176 0.3941176 0.3941176), wk = 0.0026596 k( 239) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0026596 k( 240) = ( 0.4058824 0.4058823 0.4058823), wk = 0.0026596 k( 241) = ( 0.4117647 0.4117647 0.4117647), wk = 0.0026596 k( 242) = ( 0.4176471 0.4176471 0.4176471), wk = 0.0026596 k( 243) = ( 0.4235294 0.4235294 0.4235294), wk = 0.0026596 k( 244) = ( 0.4294118 0.4294118 0.4294118), wk = 0.0026596 k( 245) = ( 0.4352941 0.4352941 0.4352941), wk = 0.0026596 k( 246) = ( 0.4411765 0.4411765 0.4411765), wk = 0.0026596 k( 247) = ( 0.4470588 0.4470588 0.4470588), wk = 0.0026596 k( 248) = ( 0.4529412 0.4529412 0.4529412), wk = 0.0026596 k( 249) = ( 0.4588235 0.4588235 0.4588235), wk = 0.0026596 k( 250) = ( 0.4647059 0.4647059 0.4647059), wk = 0.0026596 k( 251) = ( 0.4705882 0.4705882 0.4705882), wk = 0.0026596 k( 252) = ( 0.4764706 0.4764706 0.4764706), wk = 0.0026596 k( 253) = ( 0.4823529 0.4823529 0.4823529), wk = 0.0026596 k( 254) = ( 0.4882353 0.4882353 0.4882353), wk = 0.0026596 k( 255) = ( 0.4941177 0.4941176 0.4941176), wk = 0.0026596 k( 256) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026596 k( 257) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026596 k( 258) = ( 0.4927536 0.5000000 0.4927536), wk = 0.0026596 k( 259) = ( 0.4855073 0.5000000 0.4855072), wk = 0.0026596 k( 260) = ( 0.4782609 0.5000000 0.4782609), wk = 0.0026596 k( 261) = ( 0.4710145 0.5000000 0.4710145), wk = 0.0026596 k( 262) = ( 0.4637681 0.5000000 0.4637681), wk = 0.0026596 k( 263) = ( 0.4565217 0.5000000 0.4565217), wk = 0.0026596 k( 264) = ( 0.4492754 0.5000000 0.4492754), wk = 0.0026596 k( 265) = ( 0.4420290 0.5000000 0.4420290), wk = 0.0026596 k( 266) = ( 0.4347826 0.5000000 0.4347826), wk = 0.0026596 k( 267) = ( 0.4275362 0.5000000 0.4275362), wk = 0.0026596 k( 268) = ( 0.4202899 0.5000000 0.4202899), wk = 0.0026596 k( 269) = ( 0.4130435 0.5000000 0.4130435), wk = 0.0026596 k( 270) = ( 0.4057971 0.5000000 0.4057971), wk = 0.0026596 k( 271) = ( 0.3985507 0.5000000 0.3985507), wk = 0.0026596 k( 272) = ( 0.3913044 0.5000000 0.3913043), wk = 0.0026596 k( 273) = ( 0.3840580 0.5000000 0.3840580), wk = 0.0026596 k( 274) = ( 0.3768116 0.5000000 0.3768116), wk = 0.0026596 k( 275) = ( 0.3695652 0.5000000 0.3695652), wk = 0.0026596 k( 276) = ( 0.3623188 0.5000000 0.3623188), wk = 0.0026596 k( 277) = ( 0.3550725 0.5000000 0.3550725), wk = 0.0026596 k( 278) = ( 0.3478261 0.5000000 0.3478261), wk = 0.0026596 k( 279) = ( 0.3405797 0.5000000 0.3405797), wk = 0.0026596 k( 280) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0026596 k( 281) = ( 0.3260870 0.5000000 0.3260870), wk = 0.0026596 k( 282) = ( 0.3188406 0.5000000 0.3188406), wk = 0.0026596 k( 283) = ( 0.3115942 0.5000000 0.3115942), wk = 0.0026596 k( 284) = ( 0.3043478 0.5000000 0.3043478), wk = 0.0026596 k( 285) = ( 0.2971014 0.5000000 0.2971014), wk = 0.0026596 k( 286) = ( 0.2898551 0.5000000 0.2898551), wk = 0.0026596 k( 287) = ( 0.2826087 0.5000000 0.2826087), wk = 0.0026596 k( 288) = ( 0.2753623 0.5000000 0.2753623), wk = 0.0026596 k( 289) = ( 0.2681159 0.5000000 0.2681159), wk = 0.0026596 k( 290) = ( 0.2608696 0.5000000 0.2608696), wk = 0.0026596 k( 291) = ( 0.2536232 0.5000000 0.2536232), wk = 0.0026596 k( 292) = ( 0.2463768 0.5000000 0.2463768), wk = 0.0026596 k( 293) = ( 0.2391304 0.5000000 0.2391304), wk = 0.0026596 k( 294) = ( 0.2318841 0.5000000 0.2318841), wk = 0.0026596 k( 295) = ( 0.2246377 0.5000000 0.2246377), wk = 0.0026596 k( 296) = ( 0.2173913 0.5000000 0.2173913), wk = 0.0026596 k( 297) = ( 0.2101449 0.5000000 0.2101449), wk = 0.0026596 k( 298) = ( 0.2028986 0.5000000 0.2028985), wk = 0.0026596 k( 299) = ( 0.1956522 0.5000000 0.1956522), wk = 0.0026596 k( 300) = ( 0.1884058 0.5000000 0.1884058), wk = 0.0026596 k( 301) = ( 0.1811594 0.5000000 0.1811594), wk = 0.0026596 k( 302) = ( 0.1739130 0.5000000 0.1739130), wk = 0.0026596 k( 303) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0026596 k( 304) = ( 0.1594203 0.5000000 0.1594203), wk = 0.0026596 k( 305) = ( 0.1521739 0.5000000 0.1521739), wk = 0.0026596 k( 306) = ( 0.1449275 0.5000000 0.1449275), wk = 0.0026596 k( 307) = ( 0.1376812 0.5000000 0.1376812), wk = 0.0026596 k( 308) = ( 0.1304348 0.5000000 0.1304348), wk = 0.0026596 k( 309) = ( 0.1231884 0.5000000 0.1231884), wk = 0.0026596 k( 310) = ( 0.1159420 0.5000000 0.1159420), wk = 0.0026596 k( 311) = ( 0.1086957 0.5000000 0.1086956), wk = 0.0026596 k( 312) = ( 0.1014493 0.5000000 0.1014493), wk = 0.0026596 k( 313) = ( 0.0942029 0.5000000 0.0942029), wk = 0.0026596 k( 314) = ( 0.0869565 0.5000000 0.0869565), wk = 0.0026596 k( 315) = ( 0.0797101 0.5000000 0.0797101), wk = 0.0026596 k( 316) = ( 0.0724638 0.5000000 0.0724638), wk = 0.0026596 k( 317) = ( 0.0652174 0.5000000 0.0652174), wk = 0.0026596 k( 318) = ( 0.0579710 0.5000000 0.0579710), wk = 0.0026596 k( 319) = ( 0.0507246 0.5000000 0.0507246), wk = 0.0026596 k( 320) = ( 0.0434783 0.5000000 0.0434783), wk = 0.0026596 k( 321) = ( 0.0362319 0.5000000 0.0362319), wk = 0.0026596 k( 322) = ( 0.0289855 0.5000000 0.0289855), wk = 0.0026596 k( 323) = ( 0.0217391 0.5000000 0.0217391), wk = 0.0026596 k( 324) = ( 0.0144928 0.5000000 0.0144927), wk = 0.0026596 k( 325) = ( 0.0072464 0.5000000 0.0072464), wk = 0.0026596 k( 326) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026596 k( 327) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026596 k( 328) = ( 0.5000000 0.5000000 0.0102041), wk = 0.0026596 k( 329) = ( 0.5000000 0.5000000 0.0204082), wk = 0.0026596 k( 330) = ( 0.5000000 0.5000000 0.0306122), wk = 0.0026596 k( 331) = ( 0.5000000 0.5000000 0.0408163), wk = 0.0026596 k( 332) = ( 0.5000000 0.5000000 0.0510204), wk = 0.0026596 k( 333) = ( 0.5000000 0.5000000 0.0612245), wk = 0.0026596 k( 334) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0026596 k( 335) = ( 0.5000000 0.5000000 0.0816326), wk = 0.0026596 k( 336) = ( 0.5000000 0.5000000 0.0918367), wk = 0.0026596 k( 337) = ( 0.5000000 0.5000000 0.1020408), wk = 0.0026596 k( 338) = ( 0.5000000 0.5000000 0.1122449), wk = 0.0026596 k( 339) = ( 0.5000000 0.5000000 0.1224490), wk = 0.0026596 k( 340) = ( 0.5000000 0.5000000 0.1326531), wk = 0.0026596 k( 341) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0026596 k( 342) = ( 0.5000000 0.5000000 0.1530612), wk = 0.0026596 k( 343) = ( 0.5000000 0.5000000 0.1632653), wk = 0.0026596 k( 344) = ( 0.5000000 0.5000000 0.1734694), wk = 0.0026596 k( 345) = ( 0.5000000 0.5000000 0.1836735), wk = 0.0026596 k( 346) = ( 0.5000000 0.5000000 0.1938775), wk = 0.0026596 k( 347) = ( 0.5000000 0.5000000 0.2040816), wk = 0.0026596 k( 348) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0026596 k( 349) = ( 0.5000000 0.5000000 0.2244898), wk = 0.0026596 k( 350) = ( 0.5000000 0.5000000 0.2346939), wk = 0.0026596 k( 351) = ( 0.5000000 0.5000000 0.2448980), wk = 0.0026596 k( 352) = ( 0.5000000 0.5000000 0.2551020), wk = 0.0026596 k( 353) = ( 0.5000000 0.5000000 0.2653061), wk = 0.0026596 k( 354) = ( 0.5000000 0.5000000 0.2755102), wk = 0.0026596 k( 355) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0026596 k( 356) = ( 0.5000000 0.5000000 0.2959184), wk = 0.0026596 k( 357) = ( 0.5000000 0.5000000 0.3061224), wk = 0.0026596 k( 358) = ( 0.5000000 0.5000000 0.3163265), wk = 0.0026596 k( 359) = ( 0.5000000 0.5000000 0.3265306), wk = 0.0026596 k( 360) = ( 0.5000000 0.5000000 0.3367347), wk = 0.0026596 k( 361) = ( 0.5000000 0.5000000 0.3469388), wk = 0.0026596 k( 362) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0026596 k( 363) = ( 0.5000000 0.5000000 0.3673469), wk = 0.0026596 k( 364) = ( 0.5000000 0.5000000 0.3775510), wk = 0.0026596 k( 365) = ( 0.5000000 0.5000000 0.3877551), wk = 0.0026596 k( 366) = ( 0.5000000 0.5000000 0.3979592), wk = 0.0026596 k( 367) = ( 0.5000000 0.5000000 0.4081633), wk = 0.0026596 k( 368) = ( 0.5000000 0.5000000 0.4183673), wk = 0.0026596 k( 369) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0026596 k( 370) = ( 0.5000000 0.5000000 0.4387755), wk = 0.0026596 k( 371) = ( 0.5000000 0.5000000 0.4489796), wk = 0.0026596 k( 372) = ( 0.5000000 0.5000000 0.4591837), wk = 0.0026596 k( 373) = ( 0.5000000 0.5000000 0.4693878), wk = 0.0026596 k( 374) = ( 0.5000000 0.5000000 0.4795918), wk = 0.0026596 k( 375) = ( 0.5000000 0.5000000 0.4897959), wk = 0.0026596 k( 376) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026596 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026596 k( 2) = ( 0.0000000 0.0102041 0.0000000), wk = 0.0026596 k( 3) = ( 0.0000000 0.0204082 0.0000000), wk = 0.0026596 k( 4) = ( 0.0000000 0.0306122 0.0000000), wk = 0.0026596 k( 5) = ( 0.0000000 0.0408163 0.0000000), wk = 0.0026596 k( 6) = ( 0.0000000 0.0510204 0.0000000), wk = 0.0026596 k( 7) = ( 0.0000000 0.0612245 0.0000000), wk = 0.0026596 k( 8) = ( 0.0000000 0.0714286 0.0000000), wk = 0.0026596 k( 9) = ( 0.0000000 0.0816327 0.0000000), wk = 0.0026596 k( 10) = ( 0.0000000 0.0918367 0.0000000), wk = 0.0026596 k( 11) = ( 0.0000000 0.1020408 0.0000000), wk = 0.0026596 k( 12) = ( 0.0000000 0.1122449 0.0000000), wk = 0.0026596 k( 13) = ( 0.0000000 0.1224490 0.0000000), wk = 0.0026596 k( 14) = ( 0.0000000 0.1326531 0.0000000), wk = 0.0026596 k( 15) = ( 0.0000000 0.1428571 0.0000000), wk = 0.0026596 k( 16) = ( 0.0000000 0.1530612 0.0000000), wk = 0.0026596 k( 17) = ( 0.0000000 0.1632653 0.0000000), wk = 0.0026596 k( 18) = ( 0.0000000 0.1734694 0.0000000), wk = 0.0026596 k( 19) = ( 0.0000000 0.1836735 0.0000000), wk = 0.0026596 k( 20) = ( 0.0000000 0.1938776 0.0000000), wk = 0.0026596 k( 21) = ( 0.0000000 0.2040816 0.0000000), wk = 0.0026596 k( 22) = ( 0.0000000 0.2142857 0.0000000), wk = 0.0026596 k( 23) = ( 0.0000000 0.2244898 0.0000000), wk = 0.0026596 k( 24) = ( 0.0000000 0.2346939 0.0000000), wk = 0.0026596 k( 25) = ( 0.0000000 0.2448980 0.0000000), wk = 0.0026596 k( 26) = ( 0.0000000 0.2551020 0.0000000), wk = 0.0026596 k( 27) = ( 0.0000000 0.2653061 0.0000000), wk = 0.0026596 k( 28) = ( 0.0000000 0.2755102 0.0000000), wk = 0.0026596 k( 29) = ( 0.0000000 0.2857143 0.0000000), wk = 0.0026596 k( 30) = ( 0.0000000 0.2959184 0.0000000), wk = 0.0026596 k( 31) = ( 0.0000000 0.3061224 0.0000000), wk = 0.0026596 k( 32) = ( 0.0000000 0.3163265 0.0000000), wk = 0.0026596 k( 33) = ( 0.0000000 0.3265306 0.0000000), wk = 0.0026596 k( 34) = ( 0.0000000 0.3367347 0.0000000), wk = 0.0026596 k( 35) = ( 0.0000000 0.3469388 0.0000000), wk = 0.0026596 k( 36) = ( 0.0000000 0.3571429 0.0000000), wk = 0.0026596 k( 37) = ( 0.0000000 0.3673469 0.0000000), wk = 0.0026596 k( 38) = ( 0.0000000 0.3775510 0.0000000), wk = 0.0026596 k( 39) = ( 0.0000000 0.3877551 0.0000000), wk = 0.0026596 k( 40) = ( 0.0000000 0.3979592 0.0000000), wk = 0.0026596 k( 41) = ( 0.0000000 0.4081633 0.0000000), wk = 0.0026596 k( 42) = ( 0.0000000 0.4183674 0.0000000), wk = 0.0026596 k( 43) = ( 0.0000000 0.4285714 0.0000000), wk = 0.0026596 k( 44) = ( 0.0000000 0.4387755 0.0000000), wk = 0.0026596 k( 45) = ( 0.0000000 0.4489796 0.0000000), wk = 0.0026596 k( 46) = ( 0.0000000 0.4591837 0.0000000), wk = 0.0026596 k( 47) = ( 0.0000000 0.4693878 0.0000000), wk = 0.0026596 k( 48) = ( 0.0000000 0.4795918 0.0000000), wk = 0.0026596 k( 49) = ( 0.0000000 0.4897959 0.0000000), wk = 0.0026596 k( 50) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026596 k( 51) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026596 k( 52) = ( 0.0102041 0.5000000 0.0000000), wk = 0.0026596 k( 53) = ( 0.0204082 0.5000000 0.0000000), wk = 0.0026596 k( 54) = ( 0.0306122 0.5000000 0.0000000), wk = 0.0026596 k( 55) = ( 0.0408163 0.5000000 0.0000000), wk = 0.0026596 k( 56) = ( 0.0510204 0.5000000 0.0000000), wk = 0.0026596 k( 57) = ( 0.0612245 0.5000000 0.0000000), wk = 0.0026596 k( 58) = ( 0.0714286 0.5000000 0.0000000), wk = 0.0026596 k( 59) = ( 0.0816327 0.5000000 0.0000000), wk = 0.0026596 k( 60) = ( 0.0918367 0.5000000 0.0000000), wk = 0.0026596 k( 61) = ( 0.1020408 0.5000000 0.0000000), wk = 0.0026596 k( 62) = ( 0.1122449 0.5000000 0.0000000), wk = 0.0026596 k( 63) = ( 0.1224490 0.5000000 0.0000000), wk = 0.0026596 k( 64) = ( 0.1326531 0.5000000 0.0000000), wk = 0.0026596 k( 65) = ( 0.1428571 0.5000000 0.0000000), wk = 0.0026596 k( 66) = ( 0.1530612 0.5000000 0.0000000), wk = 0.0026596 k( 67) = ( 0.1632653 0.5000000 0.0000000), wk = 0.0026596 k( 68) = ( 0.1734694 0.5000000 0.0000000), wk = 0.0026596 k( 69) = ( 0.1836735 0.5000000 0.0000000), wk = 0.0026596 k( 70) = ( 0.1938776 0.5000000 0.0000000), wk = 0.0026596 k( 71) = ( 0.2040816 0.5000000 0.0000000), wk = 0.0026596 k( 72) = ( 0.2142857 0.5000000 0.0000000), wk = 0.0026596 k( 73) = ( 0.2244898 0.5000000 0.0000000), wk = 0.0026596 k( 74) = ( 0.2346939 0.5000000 0.0000000), wk = 0.0026596 k( 75) = ( 0.2448980 0.5000000 0.0000000), wk = 0.0026596 k( 76) = ( 0.2551020 0.5000000 0.0000000), wk = 0.0026596 k( 77) = ( 0.2653061 0.5000000 0.0000000), wk = 0.0026596 k( 78) = ( 0.2755102 0.5000000 0.0000000), wk = 0.0026596 k( 79) = ( 0.2857143 0.5000000 0.0000000), wk = 0.0026596 k( 80) = ( 0.2959184 0.5000000 0.0000000), wk = 0.0026596 k( 81) = ( 0.3061224 0.5000000 0.0000000), wk = 0.0026596 k( 82) = ( 0.3163265 0.5000000 0.0000000), wk = 0.0026596 k( 83) = ( 0.3265306 0.5000000 0.0000000), wk = 0.0026596 k( 84) = ( 0.3367347 0.5000000 0.0000000), wk = 0.0026596 k( 85) = ( 0.3469388 0.5000000 0.0000000), wk = 0.0026596 k( 86) = ( 0.3571429 0.5000000 0.0000000), wk = 0.0026596 k( 87) = ( 0.3673469 0.5000000 0.0000000), wk = 0.0026596 k( 88) = ( 0.3775510 0.5000000 0.0000000), wk = 0.0026596 k( 89) = ( 0.3877551 0.5000000 0.0000000), wk = 0.0026596 k( 90) = ( 0.3979592 0.5000000 0.0000000), wk = 0.0026596 k( 91) = ( 0.4081633 0.5000000 0.0000000), wk = 0.0026596 k( 92) = ( 0.4183674 0.5000000 0.0000000), wk = 0.0026596 k( 93) = ( 0.4285714 0.5000000 0.0000000), wk = 0.0026596 k( 94) = ( 0.4387755 0.5000000 0.0000000), wk = 0.0026596 k( 95) = ( 0.4489796 0.5000000 0.0000000), wk = 0.0026596 k( 96) = ( 0.4591837 0.5000000 0.0000000), wk = 0.0026596 k( 97) = ( 0.4693878 0.5000000 0.0000000), wk = 0.0026596 k( 98) = ( 0.4795918 0.5000000 0.0000000), wk = 0.0026596 k( 99) = ( 0.4897959 0.5000000 0.0000000), wk = 0.0026596 k( 100) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0026596 k( 101) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0026596 k( 102) = ( 0.4927536 0.4927536 0.0000000), wk = 0.0026596 k( 103) = ( 0.4855073 0.4855073 0.0000000), wk = 0.0026596 k( 104) = ( 0.4782609 0.4782609 0.0000000), wk = 0.0026596 k( 105) = ( 0.4710145 0.4710145 -0.0000000), wk = 0.0026596 k( 106) = ( 0.4637681 0.4637681 0.0000000), wk = 0.0026596 k( 107) = ( 0.4565217 0.4565217 0.0000000), wk = 0.0026596 k( 108) = ( 0.4492754 0.4492754 0.0000000), wk = 0.0026596 k( 109) = ( 0.4420290 0.4420290 0.0000000), wk = 0.0026596 k( 110) = ( 0.4347826 0.4347826 0.0000000), wk = 0.0026596 k( 111) = ( 0.4275362 0.4275362 0.0000000), wk = 0.0026596 k( 112) = ( 0.4202899 0.4202899 0.0000000), wk = 0.0026596 k( 113) = ( 0.4130435 0.4130435 0.0000000), wk = 0.0026596 k( 114) = ( 0.4057971 0.4057971 0.0000000), wk = 0.0026596 k( 115) = ( 0.3985507 0.3985507 0.0000000), wk = 0.0026596 k( 116) = ( 0.3913044 0.3913044 0.0000000), wk = 0.0026596 k( 117) = ( 0.3840580 0.3840580 0.0000000), wk = 0.0026596 k( 118) = ( 0.3768116 0.3768116 0.0000000), wk = 0.0026596 k( 119) = ( 0.3695652 0.3695652 0.0000000), wk = 0.0026596 k( 120) = ( 0.3623188 0.3623188 0.0000000), wk = 0.0026596 k( 121) = ( 0.3550725 0.3550725 0.0000000), wk = 0.0026596 k( 122) = ( 0.3478261 0.3478261 0.0000000), wk = 0.0026596 k( 123) = ( 0.3405797 0.3405797 0.0000000), wk = 0.0026596 k( 124) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0026596 k( 125) = ( 0.3260870 0.3260870 0.0000000), wk = 0.0026596 k( 126) = ( 0.3188406 0.3188406 -0.0000000), wk = 0.0026596 k( 127) = ( 0.3115942 0.3115942 0.0000000), wk = 0.0026596 k( 128) = ( 0.3043478 0.3043478 -0.0000000), wk = 0.0026596 k( 129) = ( 0.2971014 0.2971014 0.0000000), wk = 0.0026596 k( 130) = ( 0.2898551 0.2898551 -0.0000000), wk = 0.0026596 k( 131) = ( 0.2826087 0.2826087 0.0000000), wk = 0.0026596 k( 132) = ( 0.2753623 0.2753623 0.0000000), wk = 0.0026596 k( 133) = ( 0.2681159 0.2681159 0.0000000), wk = 0.0026596 k( 134) = ( 0.2608696 0.2608696 0.0000000), wk = 0.0026596 k( 135) = ( 0.2536232 0.2536232 0.0000000), wk = 0.0026596 k( 136) = ( 0.2463768 0.2463768 0.0000000), wk = 0.0026596 k( 137) = ( 0.2391304 0.2391304 0.0000000), wk = 0.0026596 k( 138) = ( 0.2318841 0.2318841 0.0000000), wk = 0.0026596 k( 139) = ( 0.2246377 0.2246377 0.0000000), wk = 0.0026596 k( 140) = ( 0.2173913 0.2173913 0.0000000), wk = 0.0026596 k( 141) = ( 0.2101449 0.2101449 0.0000000), wk = 0.0026596 k( 142) = ( 0.2028986 0.2028986 0.0000000), wk = 0.0026596 k( 143) = ( 0.1956522 0.1956522 0.0000000), wk = 0.0026596 k( 144) = ( 0.1884058 0.1884058 -0.0000000), wk = 0.0026596 k( 145) = ( 0.1811594 0.1811594 0.0000000), wk = 0.0026596 k( 146) = ( 0.1739130 0.1739130 0.0000000), wk = 0.0026596 k( 147) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0026596 k( 148) = ( 0.1594203 0.1594203 -0.0000000), wk = 0.0026596 k( 149) = ( 0.1521739 0.1521739 0.0000000), wk = 0.0026596 k( 150) = ( 0.1449275 0.1449275 -0.0000000), wk = 0.0026596 k( 151) = ( 0.1376812 0.1376812 0.0000000), wk = 0.0026596 k( 152) = ( 0.1304348 0.1304348 0.0000000), wk = 0.0026596 k( 153) = ( 0.1231884 0.1231884 0.0000000), wk = 0.0026596 k( 154) = ( 0.1159420 0.1159420 0.0000000), wk = 0.0026596 k( 155) = ( 0.1086957 0.1086957 0.0000000), wk = 0.0026596 k( 156) = ( 0.1014493 0.1014493 0.0000000), wk = 0.0026596 k( 157) = ( 0.0942029 0.0942029 -0.0000000), wk = 0.0026596 k( 158) = ( 0.0869565 0.0869565 0.0000000), wk = 0.0026596 k( 159) = ( 0.0797101 0.0797101 0.0000000), wk = 0.0026596 k( 160) = ( 0.0724638 0.0724638 -0.0000000), wk = 0.0026596 k( 161) = ( 0.0652174 0.0652174 0.0000000), wk = 0.0026596 k( 162) = ( 0.0579710 0.0579710 0.0000000), wk = 0.0026596 k( 163) = ( 0.0507246 0.0507246 0.0000000), wk = 0.0026596 k( 164) = ( 0.0434783 0.0434783 0.0000000), wk = 0.0026596 k( 165) = ( 0.0362319 0.0362319 -0.0000000), wk = 0.0026596 k( 166) = ( 0.0289855 0.0289855 0.0000000), wk = 0.0026596 k( 167) = ( 0.0217391 0.0217391 0.0000000), wk = 0.0026596 k( 168) = ( 0.0144928 0.0144928 0.0000000), wk = 0.0026596 k( 169) = ( 0.0072464 0.0072464 -0.0000000), wk = 0.0026596 k( 170) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026596 k( 171) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026596 k( 172) = ( 0.0058823 0.0058823 0.0058823), wk = 0.0026596 k( 173) = ( 0.0117647 0.0117647 0.0117647), wk = 0.0026596 k( 174) = ( 0.0176471 0.0176471 0.0176471), wk = 0.0026596 k( 175) = ( 0.0235294 0.0235294 0.0235294), wk = 0.0026596 k( 176) = ( 0.0294118 0.0294118 0.0294118), wk = 0.0026596 k( 177) = ( 0.0352941 0.0352941 0.0352941), wk = 0.0026596 k( 178) = ( 0.0411765 0.0411765 0.0411765), wk = 0.0026596 k( 179) = ( 0.0470588 0.0470588 0.0470588), wk = 0.0026596 k( 180) = ( 0.0529412 0.0529412 0.0529412), wk = 0.0026596 k( 181) = ( 0.0588235 0.0588235 0.0588235), wk = 0.0026596 k( 182) = ( 0.0647059 0.0647059 0.0647059), wk = 0.0026596 k( 183) = ( 0.0705882 0.0705882 0.0705882), wk = 0.0026596 k( 184) = ( 0.0764706 0.0764706 0.0764706), wk = 0.0026596 k( 185) = ( 0.0823529 0.0823529 0.0823529), wk = 0.0026596 k( 186) = ( 0.0882353 0.0882353 0.0882353), wk = 0.0026596 k( 187) = ( 0.0941176 0.0941176 0.0941176), wk = 0.0026596 k( 188) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0026596 k( 189) = ( 0.1058824 0.1058824 0.1058824), wk = 0.0026596 k( 190) = ( 0.1117647 0.1117647 0.1117647), wk = 0.0026596 k( 191) = ( 0.1176471 0.1176471 0.1176471), wk = 0.0026596 k( 192) = ( 0.1235294 0.1235294 0.1235294), wk = 0.0026596 k( 193) = ( 0.1294118 0.1294118 0.1294118), wk = 0.0026596 k( 194) = ( 0.1352941 0.1352941 0.1352941), wk = 0.0026596 k( 195) = ( 0.1411765 0.1411765 0.1411765), wk = 0.0026596 k( 196) = ( 0.1470588 0.1470588 0.1470588), wk = 0.0026596 k( 197) = ( 0.1529412 0.1529412 0.1529412), wk = 0.0026596 k( 198) = ( 0.1588235 0.1588235 0.1588235), wk = 0.0026596 k( 199) = ( 0.1647059 0.1647059 0.1647059), wk = 0.0026596 k( 200) = ( 0.1705882 0.1705882 0.1705882), wk = 0.0026596 k( 201) = ( 0.1764706 0.1764706 0.1764706), wk = 0.0026596 k( 202) = ( 0.1823529 0.1823529 0.1823529), wk = 0.0026596 k( 203) = ( 0.1882353 0.1882353 0.1882353), wk = 0.0026596 k( 204) = ( 0.1941177 0.1941177 0.1941177), wk = 0.0026596 k( 205) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0026596 k( 206) = ( 0.2058823 0.2058823 0.2058823), wk = 0.0026596 k( 207) = ( 0.2117647 0.2117647 0.2117647), wk = 0.0026596 k( 208) = ( 0.2176471 0.2176471 0.2176471), wk = 0.0026596 k( 209) = ( 0.2235294 0.2235294 0.2235294), wk = 0.0026596 k( 210) = ( 0.2294118 0.2294118 0.2294118), wk = 0.0026596 k( 211) = ( 0.2352941 0.2352941 0.2352941), wk = 0.0026596 k( 212) = ( 0.2411765 0.2411765 0.2411765), wk = 0.0026596 k( 213) = ( 0.2470588 0.2470588 0.2470588), wk = 0.0026596 k( 214) = ( 0.2529412 0.2529412 0.2529412), wk = 0.0026596 k( 215) = ( 0.2588235 0.2588235 0.2588235), wk = 0.0026596 k( 216) = ( 0.2647059 0.2647059 0.2647059), wk = 0.0026596 k( 217) = ( 0.2705882 0.2705882 0.2705882), wk = 0.0026596 k( 218) = ( 0.2764706 0.2764706 0.2764706), wk = 0.0026596 k( 219) = ( 0.2823529 0.2823529 0.2823529), wk = 0.0026596 k( 220) = ( 0.2882353 0.2882353 0.2882353), wk = 0.0026596 k( 221) = ( 0.2941177 0.2941177 0.2941177), wk = 0.0026596 k( 222) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0026596 k( 223) = ( 0.3058824 0.3058824 0.3058824), wk = 0.0026596 k( 224) = ( 0.3117647 0.3117647 0.3117647), wk = 0.0026596 k( 225) = ( 0.3176471 0.3176471 0.3176471), wk = 0.0026596 k( 226) = ( 0.3235294 0.3235294 0.3235294), wk = 0.0026596 k( 227) = ( 0.3294118 0.3294118 0.3294118), wk = 0.0026596 k( 228) = ( 0.3352941 0.3352941 0.3352941), wk = 0.0026596 k( 229) = ( 0.3411765 0.3411765 0.3411765), wk = 0.0026596 k( 230) = ( 0.3470588 0.3470588 0.3470588), wk = 0.0026596 k( 231) = ( 0.3529412 0.3529412 0.3529412), wk = 0.0026596 k( 232) = ( 0.3588235 0.3588235 0.3588235), wk = 0.0026596 k( 233) = ( 0.3647059 0.3647059 0.3647059), wk = 0.0026596 k( 234) = ( 0.3705882 0.3705882 0.3705882), wk = 0.0026596 k( 235) = ( 0.3764706 0.3764706 0.3764706), wk = 0.0026596 k( 236) = ( 0.3823529 0.3823529 0.3823529), wk = 0.0026596 k( 237) = ( 0.3882353 0.3882353 0.3882353), wk = 0.0026596 k( 238) = ( 0.3941176 0.3941176 0.3941176), wk = 0.0026596 k( 239) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0026596 k( 240) = ( 0.4058824 0.4058824 0.4058824), wk = 0.0026596 k( 241) = ( 0.4117647 0.4117647 0.4117647), wk = 0.0026596 k( 242) = ( 0.4176471 0.4176471 0.4176471), wk = 0.0026596 k( 243) = ( 0.4235294 0.4235294 0.4235294), wk = 0.0026596 k( 244) = ( 0.4294118 0.4294118 0.4294118), wk = 0.0026596 k( 245) = ( 0.4352941 0.4352941 0.4352941), wk = 0.0026596 k( 246) = ( 0.4411765 0.4411765 0.4411765), wk = 0.0026596 k( 247) = ( 0.4470588 0.4470588 0.4470588), wk = 0.0026596 k( 248) = ( 0.4529412 0.4529412 0.4529412), wk = 0.0026596 k( 249) = ( 0.4588235 0.4588235 0.4588235), wk = 0.0026596 k( 250) = ( 0.4647059 0.4647059 0.4647059), wk = 0.0026596 k( 251) = ( 0.4705882 0.4705882 0.4705882), wk = 0.0026596 k( 252) = ( 0.4764706 0.4764706 0.4764706), wk = 0.0026596 k( 253) = ( 0.4823529 0.4823529 0.4823529), wk = 0.0026596 k( 254) = ( 0.4882353 0.4882353 0.4882353), wk = 0.0026596 k( 255) = ( 0.4941177 0.4941177 0.4941177), wk = 0.0026596 k( 256) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026596 k( 257) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026596 k( 258) = ( 0.4927536 0.5000000 0.4927536), wk = 0.0026596 k( 259) = ( 0.4855073 0.5000000 0.4855073), wk = 0.0026596 k( 260) = ( 0.4782609 0.5000000 0.4782609), wk = 0.0026596 k( 261) = ( 0.4710145 0.5000000 0.4710145), wk = 0.0026596 k( 262) = ( 0.4637681 0.5000000 0.4637681), wk = 0.0026596 k( 263) = ( 0.4565217 0.5000000 0.4565217), wk = 0.0026596 k( 264) = ( 0.4492754 0.5000000 0.4492754), wk = 0.0026596 k( 265) = ( 0.4420290 0.5000000 0.4420290), wk = 0.0026596 k( 266) = ( 0.4347826 0.5000000 0.4347826), wk = 0.0026596 k( 267) = ( 0.4275362 0.5000000 0.4275362), wk = 0.0026596 k( 268) = ( 0.4202899 0.5000000 0.4202899), wk = 0.0026596 k( 269) = ( 0.4130435 0.5000000 0.4130435), wk = 0.0026596 k( 270) = ( 0.4057971 0.5000000 0.4057971), wk = 0.0026596 k( 271) = ( 0.3985507 0.5000000 0.3985507), wk = 0.0026596 k( 272) = ( 0.3913044 0.5000000 0.3913044), wk = 0.0026596 k( 273) = ( 0.3840580 0.5000000 0.3840580), wk = 0.0026596 k( 274) = ( 0.3768116 0.5000000 0.3768116), wk = 0.0026596 k( 275) = ( 0.3695652 0.5000000 0.3695652), wk = 0.0026596 k( 276) = ( 0.3623188 0.5000000 0.3623188), wk = 0.0026596 k( 277) = ( 0.3550725 0.5000000 0.3550725), wk = 0.0026596 k( 278) = ( 0.3478261 0.5000000 0.3478261), wk = 0.0026596 k( 279) = ( 0.3405797 0.5000000 0.3405797), wk = 0.0026596 k( 280) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0026596 k( 281) = ( 0.3260870 0.5000000 0.3260870), wk = 0.0026596 k( 282) = ( 0.3188406 0.5000000 0.3188406), wk = 0.0026596 k( 283) = ( 0.3115942 0.5000000 0.3115942), wk = 0.0026596 k( 284) = ( 0.3043478 0.5000000 0.3043478), wk = 0.0026596 k( 285) = ( 0.2971014 0.5000000 0.2971014), wk = 0.0026596 k( 286) = ( 0.2898551 0.5000000 0.2898551), wk = 0.0026596 k( 287) = ( 0.2826087 0.5000000 0.2826087), wk = 0.0026596 k( 288) = ( 0.2753623 0.5000000 0.2753623), wk = 0.0026596 k( 289) = ( 0.2681159 0.5000000 0.2681159), wk = 0.0026596 k( 290) = ( 0.2608696 0.5000000 0.2608696), wk = 0.0026596 k( 291) = ( 0.2536232 0.5000000 0.2536232), wk = 0.0026596 k( 292) = ( 0.2463768 0.5000000 0.2463768), wk = 0.0026596 k( 293) = ( 0.2391304 0.5000000 0.2391304), wk = 0.0026596 k( 294) = ( 0.2318841 0.5000000 0.2318841), wk = 0.0026596 k( 295) = ( 0.2246377 0.5000000 0.2246377), wk = 0.0026596 k( 296) = ( 0.2173913 0.5000000 0.2173913), wk = 0.0026596 k( 297) = ( 0.2101449 0.5000000 0.2101449), wk = 0.0026596 k( 298) = ( 0.2028986 0.5000000 0.2028986), wk = 0.0026596 k( 299) = ( 0.1956522 0.5000000 0.1956522), wk = 0.0026596 k( 300) = ( 0.1884058 0.5000000 0.1884058), wk = 0.0026596 k( 301) = ( 0.1811594 0.5000000 0.1811594), wk = 0.0026596 k( 302) = ( 0.1739130 0.5000000 0.1739130), wk = 0.0026596 k( 303) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0026596 k( 304) = ( 0.1594203 0.5000000 0.1594203), wk = 0.0026596 k( 305) = ( 0.1521739 0.5000000 0.1521739), wk = 0.0026596 k( 306) = ( 0.1449275 0.5000000 0.1449275), wk = 0.0026596 k( 307) = ( 0.1376812 0.5000000 0.1376812), wk = 0.0026596 k( 308) = ( 0.1304348 0.5000000 0.1304348), wk = 0.0026596 k( 309) = ( 0.1231884 0.5000000 0.1231884), wk = 0.0026596 k( 310) = ( 0.1159420 0.5000000 0.1159420), wk = 0.0026596 k( 311) = ( 0.1086957 0.5000000 0.1086957), wk = 0.0026596 k( 312) = ( 0.1014493 0.5000000 0.1014493), wk = 0.0026596 k( 313) = ( 0.0942029 0.5000000 0.0942029), wk = 0.0026596 k( 314) = ( 0.0869565 0.5000000 0.0869565), wk = 0.0026596 k( 315) = ( 0.0797101 0.5000000 0.0797101), wk = 0.0026596 k( 316) = ( 0.0724638 0.5000000 0.0724638), wk = 0.0026596 k( 317) = ( 0.0652174 0.5000000 0.0652174), wk = 0.0026596 k( 318) = ( 0.0579710 0.5000000 0.0579710), wk = 0.0026596 k( 319) = ( 0.0507246 0.5000000 0.0507246), wk = 0.0026596 k( 320) = ( 0.0434783 0.5000000 0.0434783), wk = 0.0026596 k( 321) = ( 0.0362319 0.5000000 0.0362319), wk = 0.0026596 k( 322) = ( 0.0289855 0.5000000 0.0289855), wk = 0.0026596 k( 323) = ( 0.0217391 0.5000000 0.0217391), wk = 0.0026596 k( 324) = ( 0.0144928 0.5000000 0.0144928), wk = 0.0026596 k( 325) = ( 0.0072464 0.5000000 0.0072464), wk = 0.0026596 k( 326) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026596 k( 327) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0026596 k( 328) = ( 0.5000000 0.5000000 0.0102041), wk = 0.0026596 k( 329) = ( 0.5000000 0.5000000 0.0204082), wk = 0.0026596 k( 330) = ( 0.5000000 0.5000000 0.0306122), wk = 0.0026596 k( 331) = ( 0.5000000 0.5000000 0.0408163), wk = 0.0026596 k( 332) = ( 0.5000000 0.5000000 0.0510204), wk = 0.0026596 k( 333) = ( 0.5000000 0.5000000 0.0612245), wk = 0.0026596 k( 334) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0026596 k( 335) = ( 0.5000000 0.5000000 0.0816327), wk = 0.0026596 k( 336) = ( 0.5000000 0.5000000 0.0918367), wk = 0.0026596 k( 337) = ( 0.5000000 0.5000000 0.1020408), wk = 0.0026596 k( 338) = ( 0.5000000 0.5000000 0.1122449), wk = 0.0026596 k( 339) = ( 0.5000000 0.5000000 0.1224490), wk = 0.0026596 k( 340) = ( 0.5000000 0.5000000 0.1326531), wk = 0.0026596 k( 341) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0026596 k( 342) = ( 0.5000000 0.5000000 0.1530612), wk = 0.0026596 k( 343) = ( 0.5000000 0.5000000 0.1632653), wk = 0.0026596 k( 344) = ( 0.5000000 0.5000000 0.1734694), wk = 0.0026596 k( 345) = ( 0.5000000 0.5000000 0.1836735), wk = 0.0026596 k( 346) = ( 0.5000000 0.5000000 0.1938776), wk = 0.0026596 k( 347) = ( 0.5000000 0.5000000 0.2040816), wk = 0.0026596 k( 348) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0026596 k( 349) = ( 0.5000000 0.5000000 0.2244898), wk = 0.0026596 k( 350) = ( 0.5000000 0.5000000 0.2346939), wk = 0.0026596 k( 351) = ( 0.5000000 0.5000000 0.2448980), wk = 0.0026596 k( 352) = ( 0.5000000 0.5000000 0.2551020), wk = 0.0026596 k( 353) = ( 0.5000000 0.5000000 0.2653061), wk = 0.0026596 k( 354) = ( 0.5000000 0.5000000 0.2755102), wk = 0.0026596 k( 355) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0026596 k( 356) = ( 0.5000000 0.5000000 0.2959184), wk = 0.0026596 k( 357) = ( 0.5000000 0.5000000 0.3061224), wk = 0.0026596 k( 358) = ( 0.5000000 0.5000000 0.3163265), wk = 0.0026596 k( 359) = ( 0.5000000 0.5000000 0.3265306), wk = 0.0026596 k( 360) = ( 0.5000000 0.5000000 0.3367347), wk = 0.0026596 k( 361) = ( 0.5000000 0.5000000 0.3469388), wk = 0.0026596 k( 362) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0026596 k( 363) = ( 0.5000000 0.5000000 0.3673469), wk = 0.0026596 k( 364) = ( 0.5000000 0.5000000 0.3775510), wk = 0.0026596 k( 365) = ( 0.5000000 0.5000000 0.3877551), wk = 0.0026596 k( 366) = ( 0.5000000 0.5000000 0.3979592), wk = 0.0026596 k( 367) = ( 0.5000000 0.5000000 0.4081633), wk = 0.0026596 k( 368) = ( 0.5000000 0.5000000 0.4183674), wk = 0.0026596 k( 369) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0026596 k( 370) = ( 0.5000000 0.5000000 0.4387755), wk = 0.0026596 k( 371) = ( 0.5000000 0.5000000 0.4489796), wk = 0.0026596 k( 372) = ( 0.5000000 0.5000000 0.4591837), wk = 0.0026596 k( 373) = ( 0.5000000 0.5000000 0.4693878), wk = 0.0026596 k( 374) = ( 0.5000000 0.5000000 0.4795918), wk = 0.0026596 k( 375) = ( 0.5000000 0.5000000 0.4897959), wk = 0.0026596 k( 376) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026596 Dense grid: 33371 G-vectors FFT dimensions: ( 40, 40, 40) Smooth grid: 21879 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.08 Mb ( 150, 34) NL pseudopotentials 0.08 Mb ( 75, 68) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.01 Mb ( 926) G-vector shells 0.00 Mb ( 237) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.31 Mb ( 150, 136) Each subspace H/S matrix 0.02 Mb ( 34, 34) Each matrix 0.07 Mb ( 68, 2, 34) The potential is recalculated from file : ./MnAu.save/charge-density.dat Starting wfc are 38 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.5 secs Computing kpt #: 2 total cpu time spent up to now is 1.7 secs Computing kpt #: 3 total cpu time spent up to now is 1.9 secs Computing kpt #: 4 total cpu time spent up to now is 2.1 secs Computing kpt #: 5 total cpu time spent up to now is 2.3 secs Computing kpt #: 6 total cpu time spent up to now is 2.4 secs Computing kpt #: 7 total cpu time spent up to now is 2.6 secs Computing kpt #: 8 total cpu time spent up to now is 2.8 secs Computing kpt #: 9 total cpu time spent up to now is 3.0 secs Computing kpt #: 10 total cpu time spent up to now is 3.1 secs Computing kpt #: 11 total cpu time spent up to now is 3.3 secs Computing kpt #: 12 total cpu time spent up to now is 3.5 secs Computing kpt #: 13 total cpu time spent up to now is 3.6 secs Computing kpt #: 14 total cpu time spent up to now is 3.8 secs Computing kpt #: 15 total cpu time spent up to now is 4.0 secs Computing kpt #: 16 total cpu time spent up to now is 4.2 secs Computing kpt #: 17 total cpu time spent up to now is 4.3 secs Computing kpt #: 18 total cpu time spent up to now is 4.5 secs Computing kpt #: 19 total cpu time spent up to now is 4.7 secs Computing kpt #: 20 total cpu time spent up to now is 4.9 secs Computing kpt #: 21 total cpu time spent up to now is 5.0 secs Computing kpt #: 22 total cpu time spent up to now is 5.2 secs Computing kpt #: 23 total cpu time spent up to now is 5.4 secs Computing kpt #: 24 total cpu time spent up to now is 5.6 secs Computing kpt #: 25 total cpu time spent up to now is 5.7 secs Computing kpt #: 26 total cpu time spent up to now is 5.9 secs Computing kpt #: 27 total cpu time spent up to now is 6.1 secs Computing kpt #: 28 total cpu time spent up to now is 6.3 secs Computing kpt #: 29 total cpu time spent up to now is 6.4 secs Computing kpt #: 30 total cpu time spent up to now is 6.6 secs Computing kpt #: 31 total cpu time spent up to now is 6.8 secs Computing kpt #: 32 total cpu time spent up to now is 7.0 secs Computing kpt #: 33 total cpu time spent up to now is 7.1 secs Computing kpt #: 34 total cpu time spent up to now is 7.3 secs Computing kpt #: 35 total cpu time spent up to now is 7.5 secs Computing kpt #: 36 total cpu time spent up to now is 7.7 secs Computing kpt #: 37 total cpu time spent up to now is 7.9 secs Computing kpt #: 38 total cpu time spent up to now is 8.0 secs Computing kpt #: 39 total cpu time spent up to now is 8.2 secs Computing kpt #: 40 total cpu time spent up to now is 8.4 secs Computing kpt #: 41 total cpu time spent up to now is 8.6 secs Computing kpt #: 42 total cpu time spent up to now is 8.8 secs Computing kpt #: 43 total cpu time spent up to now is 9.0 secs Computing kpt #: 44 total cpu time spent up to now is 9.1 secs Computing kpt #: 45 total cpu time spent up to now is 9.3 secs Computing kpt #: 46 total cpu time spent up to now is 9.5 secs Computing kpt #: 47 total cpu time spent up to now is 9.7 secs Computing kpt #: 48 total cpu time spent up to now is 9.8 secs Computing kpt #: 49 total cpu time spent up to now is 10.0 secs Computing kpt #: 50 total cpu time spent up to now is 10.2 secs Computing kpt #: 51 total cpu time spent up to now is 10.3 secs Computing kpt #: 52 total cpu time spent up to now is 10.5 secs Computing kpt #: 53 total cpu time spent up to now is 10.7 secs Computing kpt #: 54 total cpu time spent up to now is 10.8 secs Computing kpt #: 55 total cpu time spent up to now is 11.0 secs Computing kpt #: 56 total cpu time spent up to now is 11.2 secs Computing kpt #: 57 total cpu time spent up to now is 11.4 secs Computing kpt #: 58 total cpu time spent up to now is 11.6 secs Computing kpt #: 59 total cpu time spent up to now is 11.8 secs Computing kpt #: 60 total cpu time spent up to now is 12.0 secs Computing kpt #: 61 total cpu time spent up to now is 12.1 secs Computing kpt #: 62 total cpu time spent up to now is 12.3 secs Computing kpt #: 63 total cpu time spent up to now is 12.5 secs Computing kpt #: 64 total cpu time spent up to now is 12.7 secs Computing kpt #: 65 total cpu time spent up to now is 12.9 secs Computing kpt #: 66 total cpu time spent up to now is 13.1 secs Computing kpt #: 67 total cpu time spent up to now is 13.2 secs Computing kpt #: 68 total cpu time spent up to now is 13.4 secs Computing kpt #: 69 total cpu time spent up to now is 13.6 secs Computing kpt #: 70 total cpu time spent up to now is 13.8 secs Computing kpt #: 71 total cpu time spent up to now is 14.0 secs Computing kpt #: 72 total cpu time spent up to now is 14.2 secs Computing kpt #: 73 total cpu time spent up to now is 14.3 secs Computing kpt #: 74 total cpu time spent up to now is 14.5 secs Computing kpt #: 75 total cpu time spent up to now is 14.7 secs Computing kpt #: 76 total cpu time spent up to now is 14.9 secs Computing kpt #: 77 total cpu time spent up to now is 15.1 secs Computing kpt #: 78 total cpu time spent up to now is 15.2 secs Computing kpt #: 79 total cpu time spent up to now is 15.4 secs Computing kpt #: 80 total cpu time spent up to now is 15.6 secs Computing kpt #: 81 total cpu time spent up to now is 15.8 secs Computing kpt #: 82 total cpu time spent up to now is 15.9 secs Computing kpt #: 83 total cpu time spent up to now is 16.1 secs Computing kpt #: 84 total cpu time spent up to now is 16.3 secs Computing kpt #: 85 total cpu time spent up to now is 16.5 secs Computing kpt #: 86 total cpu time spent up to now is 16.6 secs Computing kpt #: 87 total cpu time spent up to now is 16.8 secs Computing kpt #: 88 total cpu time spent up to now is 17.0 secs Computing kpt #: 89 total cpu time spent up to now is 17.1 secs Computing kpt #: 90 total cpu time spent up to now is 17.3 secs Computing kpt #: 91 total cpu time spent up to now is 17.5 secs Computing kpt #: 92 total cpu time spent up to now is 17.6 secs Computing kpt #: 93 total cpu time spent up to now is 17.8 secs Computing kpt #: 94 total cpu time spent up to now is 18.0 secs Computing kpt #: 95 total cpu time spent up to now is 18.1 secs Computing kpt #: 96 total cpu time spent up to now is 18.3 secs Computing kpt #: 97 total cpu time spent up to now is 18.5 secs Computing kpt #: 98 total cpu time spent up to now is 18.6 secs Computing kpt #: 99 total cpu time spent up to now is 18.8 secs Computing kpt #: 100 total cpu time spent up to now is 18.9 secs Computing kpt #: 101 total cpu time spent up to now is 19.1 secs Computing kpt #: 102 total cpu time spent up to now is 19.3 secs Computing kpt #: 103 total cpu time spent up to now is 19.4 secs Computing kpt #: 104 total cpu time spent up to now is 19.6 secs Computing kpt #: 105 total cpu time spent up to now is 19.8 secs Computing kpt #: 106 total cpu time spent up to now is 19.9 secs Computing kpt #: 107 total cpu time spent up to now is 20.1 secs Computing kpt #: 108 total cpu time spent up to now is 20.3 secs Computing kpt #: 109 total cpu time spent up to now is 20.4 secs Computing kpt #: 110 total cpu time spent up to now is 20.6 secs Computing kpt #: 111 total cpu time spent up to now is 20.7 secs Computing kpt #: 112 total cpu time spent up to now is 20.9 secs Computing kpt #: 113 total cpu time spent up to now is 21.1 secs Computing kpt #: 114 total cpu time spent up to now is 21.2 secs Computing kpt #: 115 total cpu time spent up to now is 21.4 secs Computing kpt #: 116 total cpu time spent up to now is 21.6 secs Computing kpt #: 117 total cpu time spent up to now is 21.7 secs Computing kpt #: 118 total cpu time spent up to now is 21.9 secs Computing kpt #: 119 total cpu time spent up to now is 22.0 secs Computing kpt #: 120 total cpu time spent up to now is 22.2 secs Computing kpt #: 121 total cpu time spent up to now is 22.4 secs Computing kpt #: 122 total cpu time spent up to now is 22.5 secs Computing kpt #: 123 total cpu time spent up to now is 22.7 secs Computing kpt #: 124 total cpu time spent up to now is 22.8 secs Computing kpt #: 125 total cpu time spent up to now is 23.0 secs Computing kpt #: 126 total cpu time spent up to now is 23.1 secs Computing kpt #: 127 total cpu time spent up to now is 23.3 secs Computing kpt #: 128 total cpu time spent up to now is 23.5 secs Computing kpt #: 129 total cpu time spent up to now is 23.6 secs Computing kpt #: 130 total cpu time spent up to now is 23.8 secs Computing kpt #: 131 total cpu time spent up to now is 23.9 secs Computing kpt #: 132 total cpu time spent up to now is 24.1 secs Computing kpt #: 133 total cpu time spent up to now is 24.3 secs Computing kpt #: 134 total cpu time spent up to now is 24.4 secs Computing kpt #: 135 total cpu time spent up to now is 24.6 secs Computing kpt #: 136 total cpu time spent up to now is 24.7 secs Computing kpt #: 137 total cpu time spent up to now is 24.9 secs Computing kpt #: 138 total cpu time spent up to now is 25.1 secs Computing kpt #: 139 total cpu time spent up to now is 25.2 secs Computing kpt #: 140 total cpu time spent up to now is 25.4 secs Computing kpt #: 141 total cpu time spent up to now is 25.5 secs Computing kpt #: 142 total cpu time spent up to now is 25.7 secs Computing kpt #: 143 total cpu time spent up to now is 25.9 secs Computing kpt #: 144 total cpu time spent up to now is 26.0 secs Computing kpt #: 145 total cpu time spent up to now is 26.2 secs Computing kpt #: 146 total cpu time spent up to now is 26.4 secs Computing kpt #: 147 total cpu time spent up to now is 26.5 secs Computing kpt #: 148 total cpu time spent up to now is 26.7 secs Computing kpt #: 149 total cpu time spent up to now is 26.9 secs Computing kpt #: 150 total cpu time spent up to now is 27.0 secs Computing kpt #: 151 total cpu time spent up to now is 27.2 secs Computing kpt #: 152 total cpu time spent up to now is 27.4 secs Computing kpt #: 153 total cpu time spent up to now is 27.6 secs Computing kpt #: 154 total cpu time spent up to now is 27.7 secs Computing kpt #: 155 total cpu time spent up to now is 27.9 secs Computing kpt #: 156 total cpu time spent up to now is 28.1 secs Computing kpt #: 157 total cpu time spent up to now is 28.3 secs Computing kpt #: 158 total cpu time spent up to now is 28.4 secs Computing kpt #: 159 total cpu time spent up to now is 28.6 secs Computing kpt #: 160 total cpu time spent up to now is 28.8 secs Computing kpt #: 161 total cpu time spent up to now is 29.0 secs Computing kpt #: 162 total cpu time spent up to now is 29.1 secs Computing kpt #: 163 total cpu time spent up to now is 29.3 secs Computing kpt #: 164 total cpu time spent up to now is 29.5 secs Computing kpt #: 165 total cpu time spent up to now is 29.7 secs Computing kpt #: 166 total cpu time spent up to now is 29.9 secs Computing kpt #: 167 total cpu time spent up to now is 30.1 secs Computing kpt #: 168 total cpu time spent up to now is 30.3 secs Computing kpt #: 169 total cpu time spent up to now is 30.5 secs Computing kpt #: 170 total cpu time spent up to now is 30.6 secs Computing kpt #: 171 total cpu time spent up to now is 30.8 secs Computing kpt #: 172 total cpu time spent up to now is 31.0 secs Computing kpt #: 173 total cpu time spent up to now is 31.2 secs Computing kpt #: 174 total cpu time spent up to now is 31.4 secs Computing kpt #: 175 total cpu time spent up to now is 31.5 secs Computing kpt #: 176 total cpu time spent up to now is 31.7 secs Computing kpt #: 177 total cpu time spent up to now is 31.9 secs Computing kpt #: 178 total cpu time spent up to now is 32.1 secs Computing kpt #: 179 total cpu time spent up to now is 32.3 secs Computing kpt #: 180 total cpu time spent up to now is 32.5 secs Computing kpt #: 181 total cpu time spent up to now is 32.6 secs Computing kpt #: 182 total cpu time spent up to now is 32.8 secs Computing kpt #: 183 total cpu time spent up to now is 33.0 secs Computing kpt #: 184 total cpu time spent up to now is 33.2 secs Computing kpt #: 185 total cpu time spent up to now is 33.4 secs Computing kpt #: 186 total cpu time spent up to now is 33.5 secs Computing kpt #: 187 total cpu time spent up to now is 33.7 secs Computing kpt #: 188 total cpu time spent up to now is 33.9 secs Computing kpt #: 189 total cpu time spent up to now is 34.1 secs Computing kpt #: 190 total cpu time spent up to now is 34.3 secs Computing kpt #: 191 total cpu time spent up to now is 34.4 secs Computing kpt #: 192 total cpu time spent up to now is 34.6 secs Computing kpt #: 193 total cpu time spent up to now is 34.8 secs Computing kpt #: 194 total cpu time spent up to now is 35.0 secs Computing kpt #: 195 total cpu time spent up to now is 35.1 secs Computing kpt #: 196 total cpu time spent up to now is 35.3 secs Computing kpt #: 197 total cpu time spent up to now is 35.5 secs Computing kpt #: 198 total cpu time spent up to now is 35.7 secs Computing kpt #: 199 total cpu time spent up to now is 35.9 secs Computing kpt #: 200 total cpu time spent up to now is 36.0 secs Computing kpt #: 201 total cpu time spent up to now is 36.3 secs Computing kpt #: 202 total cpu time spent up to now is 36.4 secs Computing kpt #: 203 total cpu time spent up to now is 36.6 secs Computing kpt #: 204 total cpu time spent up to now is 36.8 secs Computing kpt #: 205 total cpu time spent up to now is 37.0 secs Computing kpt #: 206 total cpu time spent up to now is 37.1 secs Computing kpt #: 207 total cpu time spent up to now is 37.3 secs Computing kpt #: 208 total cpu time spent up to now is 37.5 secs Computing kpt #: 209 total cpu time spent up to now is 37.7 secs Computing kpt #: 210 total cpu time spent up to now is 37.8 secs Computing kpt #: 211 total cpu time spent up to now is 38.0 secs Computing kpt #: 212 total cpu time spent up to now is 38.2 secs Computing kpt #: 213 total cpu time spent up to now is 38.4 secs Computing kpt #: 214 total cpu time spent up to now is 38.5 secs Computing kpt #: 215 total cpu time spent up to now is 38.7 secs Computing kpt #: 216 total cpu time spent up to now is 38.9 secs Computing kpt #: 217 total cpu time spent up to now is 39.1 secs Computing kpt #: 218 total cpu time spent up to now is 39.2 secs Computing kpt #: 219 total cpu time spent up to now is 39.4 secs Computing kpt #: 220 total cpu time spent up to now is 39.6 secs Computing kpt #: 221 total cpu time spent up to now is 39.8 secs Computing kpt #: 222 total cpu time spent up to now is 39.9 secs Computing kpt #: 223 total cpu time spent up to now is 40.1 secs Computing kpt #: 224 total cpu time spent up to now is 40.3 secs Computing kpt #: 225 total cpu time spent up to now is 40.4 secs Computing kpt #: 226 total cpu time spent up to now is 40.6 secs Computing kpt #: 227 total cpu time spent up to now is 40.8 secs Computing kpt #: 228 total cpu time spent up to now is 40.9 secs Computing kpt #: 229 total cpu time spent up to now is 41.1 secs Computing kpt #: 230 total cpu time spent up to now is 41.3 secs Computing kpt #: 231 total cpu time spent up to now is 41.5 secs Computing kpt #: 232 total cpu time spent up to now is 41.7 secs Computing kpt #: 233 total cpu time spent up to now is 41.9 secs Computing kpt #: 234 total cpu time spent up to now is 42.2 secs Computing kpt #: 235 total cpu time spent up to now is 42.4 secs Computing kpt #: 236 total cpu time spent up to now is 42.6 secs Computing kpt #: 237 total cpu time spent up to now is 42.9 secs Computing kpt #: 238 total cpu time spent up to now is 43.1 secs Computing kpt #: 239 total cpu time spent up to now is 43.4 secs Computing kpt #: 240 total cpu time spent up to now is 43.6 secs Computing kpt #: 241 total cpu time spent up to now is 43.9 secs Computing kpt #: 242 total cpu time spent up to now is 44.0 secs Computing kpt #: 243 total cpu time spent up to now is 44.2 secs Computing kpt #: 244 total cpu time spent up to now is 44.4 secs Computing kpt #: 245 total cpu time spent up to now is 44.7 secs Computing kpt #: 246 total cpu time spent up to now is 44.9 secs Computing kpt #: 247 total cpu time spent up to now is 45.2 secs Computing kpt #: 248 total cpu time spent up to now is 45.4 secs Computing kpt #: 249 total cpu time spent up to now is 45.7 secs Computing kpt #: 250 total cpu time spent up to now is 46.0 secs Computing kpt #: 251 total cpu time spent up to now is 46.3 secs Computing kpt #: 252 total cpu time spent up to now is 46.6 secs Computing kpt #: 253 total cpu time spent up to now is 46.9 secs Computing kpt #: 254 total cpu time spent up to now is 47.3 secs Computing kpt #: 255 total cpu time spent up to now is 47.5 secs Computing kpt #: 256 total cpu time spent up to now is 47.7 secs Computing kpt #: 257 total cpu time spent up to now is 47.9 secs Computing kpt #: 258 total cpu time spent up to now is 48.3 secs Computing kpt #: 259 total cpu time spent up to now is 48.7 secs Computing kpt #: 260 total cpu time spent up to now is 49.0 secs Computing kpt #: 261 total cpu time spent up to now is 49.3 secs Computing kpt #: 262 total cpu time spent up to now is 49.6 secs Computing kpt #: 263 total cpu time spent up to now is 49.9 secs Computing kpt #: 264 total cpu time spent up to now is 50.1 secs Computing kpt #: 265 total cpu time spent up to now is 50.4 secs Computing kpt #: 266 total cpu time spent up to now is 50.6 secs Computing kpt #: 267 total cpu time spent up to now is 50.8 secs Computing kpt #: 268 total cpu time spent up to now is 51.0 secs Computing kpt #: 269 total cpu time spent up to now is 51.2 secs Computing kpt #: 270 total cpu time spent up to now is 51.4 secs Computing kpt #: 271 total cpu time spent up to now is 51.5 secs Computing kpt #: 272 total cpu time spent up to now is 51.7 secs Computing kpt #: 273 total cpu time spent up to now is 51.9 secs Computing kpt #: 274 total cpu time spent up to now is 52.1 secs Computing kpt #: 275 total cpu time spent up to now is 52.3 secs Computing kpt #: 276 total cpu time spent up to now is 52.5 secs Computing kpt #: 277 total cpu time spent up to now is 52.7 secs Computing kpt #: 278 total cpu time spent up to now is 52.9 secs Computing kpt #: 279 total cpu time spent up to now is 53.1 secs Computing kpt #: 280 total cpu time spent up to now is 53.3 secs Computing kpt #: 281 total cpu time spent up to now is 53.4 secs Computing kpt #: 282 total cpu time spent up to now is 53.6 secs Computing kpt #: 283 total cpu time spent up to now is 53.8 secs Computing kpt #: 284 total cpu time spent up to now is 54.0 secs Computing kpt #: 285 total cpu time spent up to now is 54.2 secs Computing kpt #: 286 total cpu time spent up to now is 54.3 secs Computing kpt #: 287 total cpu time spent up to now is 54.5 secs Computing kpt #: 288 total cpu time spent up to now is 54.7 secs Computing kpt #: 289 total cpu time spent up to now is 54.9 secs Computing kpt #: 290 total cpu time spent up to now is 55.1 secs Computing kpt #: 291 total cpu time spent up to now is 55.3 secs Computing kpt #: 292 total cpu time spent up to now is 55.5 secs Computing kpt #: 293 total cpu time spent up to now is 55.6 secs Computing kpt #: 294 total cpu time spent up to now is 55.8 secs Computing kpt #: 295 total cpu time spent up to now is 56.0 secs Computing kpt #: 296 total cpu time spent up to now is 56.2 secs Computing kpt #: 297 total cpu time spent up to now is 56.4 secs Computing kpt #: 298 total cpu time spent up to now is 56.6 secs Computing kpt #: 299 total cpu time spent up to now is 56.8 secs Computing kpt #: 300 total cpu time spent up to now is 56.9 secs Computing kpt #: 301 total cpu time spent up to now is 57.1 secs Computing kpt #: 302 total cpu time spent up to now is 57.3 secs Computing kpt #: 303 total cpu time spent up to now is 57.5 secs Computing kpt #: 304 total cpu time spent up to now is 57.7 secs Computing kpt #: 305 total cpu time spent up to now is 57.9 secs Computing kpt #: 306 total cpu time spent up to now is 58.1 secs Computing kpt #: 307 total cpu time spent up to now is 58.3 secs Computing kpt #: 308 total cpu time spent up to now is 58.5 secs Computing kpt #: 309 total cpu time spent up to now is 58.7 secs Computing kpt #: 310 total cpu time spent up to now is 58.9 secs Computing kpt #: 311 total cpu time spent up to now is 59.1 secs Computing kpt #: 312 total cpu time spent up to now is 59.3 secs Computing kpt #: 313 total cpu time spent up to now is 59.5 secs Computing kpt #: 314 total cpu time spent up to now is 59.7 secs Computing kpt #: 315 total cpu time spent up to now is 59.9 secs Computing kpt #: 316 total cpu time spent up to now is 60.1 secs Computing kpt #: 317 total cpu time spent up to now is 60.3 secs Computing kpt #: 318 total cpu time spent up to now is 60.4 secs Computing kpt #: 319 total cpu time spent up to now is 60.6 secs Computing kpt #: 320 total cpu time spent up to now is 60.8 secs Computing kpt #: 321 total cpu time spent up to now is 61.0 secs Computing kpt #: 322 total cpu time spent up to now is 61.2 secs Computing kpt #: 323 total cpu time spent up to now is 61.4 secs Computing kpt #: 324 total cpu time spent up to now is 61.5 secs Computing kpt #: 325 total cpu time spent up to now is 61.7 secs Computing kpt #: 326 total cpu time spent up to now is 61.9 secs Computing kpt #: 327 total cpu time spent up to now is 62.0 secs Computing kpt #: 328 total cpu time spent up to now is 62.2 secs Computing kpt #: 329 total cpu time spent up to now is 62.3 secs Computing kpt #: 330 total cpu time spent up to now is 62.5 secs Computing kpt #: 331 total cpu time spent up to now is 62.6 secs Computing kpt #: 332 total cpu time spent up to now is 62.8 secs Computing kpt #: 333 total cpu time spent up to now is 63.0 secs Computing kpt #: 334 total cpu time spent up to now is 63.1 secs Computing kpt #: 335 total cpu time spent up to now is 63.3 secs Computing kpt #: 336 total cpu time spent up to now is 63.4 secs Computing kpt #: 337 total cpu time spent up to now is 63.6 secs Computing kpt #: 338 total cpu time spent up to now is 63.8 secs Computing kpt #: 339 total cpu time spent up to now is 63.9 secs Computing kpt #: 340 total cpu time spent up to now is 64.1 secs Computing kpt #: 341 total cpu time spent up to now is 64.2 secs Computing kpt #: 342 total cpu time spent up to now is 64.4 secs Computing kpt #: 343 total cpu time spent up to now is 64.6 secs Computing kpt #: 344 total cpu time spent up to now is 64.7 secs Computing kpt #: 345 total cpu time spent up to now is 64.9 secs Computing kpt #: 346 total cpu time spent up to now is 65.0 secs Computing kpt #: 347 total cpu time spent up to now is 65.2 secs Computing kpt #: 348 total cpu time spent up to now is 65.4 secs Computing kpt #: 349 total cpu time spent up to now is 65.6 secs Computing kpt #: 350 total cpu time spent up to now is 65.7 secs Computing kpt #: 351 total cpu time spent up to now is 65.9 secs Computing kpt #: 352 total cpu time spent up to now is 66.1 secs Computing kpt #: 353 total cpu time spent up to now is 66.3 secs Computing kpt #: 354 total cpu time spent up to now is 66.4 secs Computing kpt #: 355 total cpu time spent up to now is 66.6 secs Computing kpt #: 356 total cpu time spent up to now is 66.8 secs Computing kpt #: 357 total cpu time spent up to now is 67.0 secs Computing kpt #: 358 total cpu time spent up to now is 67.2 secs Computing kpt #: 359 total cpu time spent up to now is 67.3 secs Computing kpt #: 360 total cpu time spent up to now is 67.5 secs Computing kpt #: 361 total cpu time spent up to now is 67.7 secs Computing kpt #: 362 total cpu time spent up to now is 67.9 secs Computing kpt #: 363 total cpu time spent up to now is 68.1 secs Computing kpt #: 364 total cpu time spent up to now is 68.2 secs Computing kpt #: 365 total cpu time spent up to now is 68.5 secs Computing kpt #: 366 total cpu time spent up to now is 68.7 secs Computing kpt #: 367 total cpu time spent up to now is 68.9 secs Computing kpt #: 368 total cpu time spent up to now is 69.2 secs Computing kpt #: 369 total cpu time spent up to now is 69.4 secs Computing kpt #: 370 total cpu time spent up to now is 69.7 secs Computing kpt #: 371 total cpu time spent up to now is 69.9 secs Computing kpt #: 372 total cpu time spent up to now is 70.2 secs Computing kpt #: 373 total cpu time spent up to now is 70.5 secs Computing kpt #: 374 total cpu time spent up to now is 70.8 secs Computing kpt #: 375 total cpu time spent up to now is 71.2 secs Computing kpt #: 376 total cpu time spent up to now is 71.5 secs ethr = 3.85E-08, avg # of iterations = 16.9 total cpu time spent up to now is 71.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2777 PWs) bands (ev): -64.4825 -64.4825 -34.2197 -34.2197 -33.0127 -33.0127 -33.0127 -33.0127 5.8230 5.8230 8.3647 8.3647 8.3647 8.3647 10.3521 10.3521 10.3521 10.3521 11.0604 11.0604 13.7069 13.7069 13.7069 13.7069 14.5505 14.5505 14.5505 14.5505 14.7423 14.7423 20.2549 20.2549 21.6388 21.6388 k = 0.0000 0.0102-0.0000 ( 2769 PWs) bands (ev): -64.4811 -64.4811 -34.2197 -34.2197 -33.0126 -33.0126 -33.0126 -33.0126 5.8249 5.8249 8.3652 8.3652 8.3658 8.3658 10.3524 10.3524 10.3525 10.3525 11.0608 11.0608 13.7078 13.7078 13.7120 13.7120 14.5527 14.5527 14.5572 14.5572 14.7466 14.7466 20.2543 20.2543 21.6300 21.6300 k = 0.0000 0.0204-0.0000 ( 2757 PWs) bands (ev): -64.4790 -64.4790 -34.2197 -34.2197 -33.0126 -33.0126 -33.0126 -33.0126 5.8304 5.8304 8.3668 8.3668 8.3682 8.3682 10.3523 10.3523 10.3535 10.3535 11.0613 11.0613 13.7118 13.7118 13.7129 13.7129 14.5574 14.5574 14.5642 14.5642 14.7519 14.7519 20.2519 20.2519 21.6045 21.6045 k = 0.0000 0.0306-0.0000 ( 2757 PWs) bands (ev): -64.4790 -64.4790 -34.2197 -34.2197 -33.0127 -33.0127 -33.0126 -33.0126 5.8393 5.8393 8.3689 8.3689 8.3723 8.3723 10.3509 10.3509 10.3543 10.3543 11.0605 11.0605 13.7081 13.7081 13.7144 13.7144 14.5536 14.5536 14.5559 14.5559 14.7453 14.7453 20.2463 20.2463 21.5648 21.5648 k = 0.0000 0.0408-0.0000 ( 2757 PWs) bands (ev): -64.4790 -64.4790 -34.2198 -34.2198 -33.0128 -33.0128 -33.0125 -33.0125 5.8518 5.8518 8.3720 8.3720 8.3781 8.3781 10.3490 10.3490 10.3554 10.3554 11.0595 11.0595 13.7030 13.7030 13.7164 13.7164 14.5446 14.5446 14.5483 14.5483 14.7364 14.7364 20.2353 20.2353 21.5153 21.5153 k = 0.0000 0.0510-0.0000 ( 2757 PWs) bands (ev): -64.4790 -64.4790 -34.2199 -34.2199 -33.0130 -33.0130 -33.0125 -33.0125 5.8679 5.8679 8.3758 8.3758 8.3854 8.3854 10.3465 10.3465 10.3568 10.3568 11.0583 11.0583 13.6966 13.6966 13.7189 13.7189 14.5302 14.5302 14.5414 14.5414 14.7254 14.7254 20.2152 20.2152 21.4614 21.4614 k = 0.0000 0.0612-0.0000 ( 2749 PWs) bands (ev): -64.4775 -64.4775 -34.2199 -34.2199 -33.0132 -33.0132 -33.0125 -33.0125 5.8876 5.8876 8.3806 8.3806 8.3945 8.3945 10.3437 10.3437 10.3591 10.3591 11.0573 11.0573 13.6904 13.6904 13.7267 13.7267 14.5137 14.5137 14.5425 14.5425 14.7190 14.7190 20.1818 20.1818 21.4102 21.4102 k = 0.0000 0.0714-0.0000 ( 2741 PWs) bands (ev): -64.4760 -64.4760 -34.2200 -34.2200 -33.0133 -33.0133 -33.0124 -33.0124 5.9107 5.9107 8.3861 8.3861 8.4056 8.4056 10.3409 10.3409 10.3611 10.3611 11.0558 11.0558 13.6814 13.6814 13.7429 13.7429 14.4982 14.4982 14.5335 14.5335 14.7071 14.7071 20.1306 20.1306 21.3685 21.3685 k = 0.0000 0.0816-0.0000 ( 2737 PWs) bands (ev): -64.4753 -64.4753 -34.2201 -34.2201 -33.0136 -33.0136 -33.0124 -33.0124 5.9373 5.9373 8.3923 8.3923 8.4180 8.4180 10.3373 10.3373 10.3633 10.3633 11.0541 11.0541 13.6691 13.6691 13.7531 13.7531 14.4787 14.4787 14.5220 14.5220 14.6930 14.6930 20.0577 20.0577 21.3421 21.3421 k = 0.0000 0.0918-0.0000 ( 2737 PWs) bands (ev): -64.4753 -64.4753 -34.2202 -34.2202 -33.0138 -33.0138 -33.0124 -33.0124 5.9673 5.9673 8.3993 8.3993 8.4315 8.4315 10.3331 10.3331 10.3656 10.3656 11.0521 11.0521 13.6572 13.6572 13.7572 13.7572 14.4537 14.4537 14.5068 14.5068 14.6762 14.6762 19.9613 19.9613 21.3347 21.3347 k = 0.0000 0.1020-0.0000 ( 2737 PWs) bands (ev): -64.4753 -64.4753 -34.2203 -34.2203 -33.0142 -33.0142 -33.0124 -33.0124 6.0006 6.0006 8.4072 8.4072 8.4465 8.4465 10.3284 10.3284 10.3682 10.3682 11.0500 11.0500 13.6440 13.6440 13.7616 13.7616 14.4268 14.4268 14.4893 14.4893 14.6590 14.6590 19.8425 19.8425 21.3472 21.3472 k = 0.0000 0.1122-0.0000 ( 2733 PWs) bands (ev): -64.4746 -64.4746 -34.2204 -34.2204 -33.0145 -33.0145 -33.0123 -33.0123 6.0373 6.0373 8.4159 8.4159 8.4629 8.4629 10.3236 10.3236 10.3711 10.3711 11.0481 11.0481 13.6327 13.6327 13.7663 13.7663 14.4019 14.4019 14.4720 14.4720 14.6429 14.6429 19.7040 19.7040 21.3785 21.3785 k = 0.0000 0.1224-0.0000 ( 2741 PWs) bands (ev): -64.4760 -64.4760 -34.2206 -34.2206 -33.0150 -33.0150 -33.0123 -33.0123 6.0771 6.0771 8.4251 8.4251 8.4802 8.4802 10.3177 10.3177 10.3738 10.3738 11.0457 11.0457 13.6169 13.6169 13.7602 13.7602 14.3664 14.3664 14.4462 14.4462 14.6234 14.6234 19.5488 19.5488 21.4260 21.4260 k = 0.0000 0.1327-0.0000 ( 2737 PWs) bands (ev): -64.4753 -64.4753 -34.2208 -34.2208 -33.0153 -33.0153 -33.0122 -33.0122 6.1202 6.1202 8.4350 8.4350 8.4997 8.4997 10.3125 10.3125 10.3767 10.3767 11.0438 11.0438 13.6002 13.6002 13.7715 13.7715 14.3364 14.3364 14.4229 14.4229 14.6066 14.6066 19.3814 19.3814 21.4880 21.4880 k = 0.0000 0.1429-0.0000 ( 2729 PWs) bands (ev): -64.4739 -64.4739 -34.2209 -34.2209 -33.0157 -33.0157 -33.0122 -33.0122 6.1665 6.1665 8.4458 8.4458 8.5201 8.5201 10.3071 10.3071 10.3800 10.3800 11.0423 11.0423 13.5864 13.5864 13.7767 13.7767 14.3094 14.3094 14.4022 14.4022 14.5951 14.5951 19.2040 19.2040 21.5623 21.5623 k = 0.0000 0.1531-0.0000 ( 2729 PWs) bands (ev): -64.4739 -64.4739 -34.2211 -34.2211 -33.0162 -33.0162 -33.0121 -33.0121 6.2157 6.2157 8.4569 8.4569 8.5419 8.5419 10.3012 10.3012 10.3829 10.3829 11.0405 11.0405 13.5673 13.5673 13.7812 13.7812 14.2754 14.2754 14.3734 14.3734 14.5782 14.5782 19.0191 19.0191 21.6468 21.6468 k = 0.0000 0.1633-0.0000 ( 2737 PWs) bands (ev): -64.4752 -64.4752 -34.2213 -34.2213 -33.0167 -33.0167 -33.0121 -33.0121 6.2678 6.2678 8.4685 8.4685 8.5648 8.5648 10.2950 10.2950 10.3856 10.3856 11.0385 11.0385 13.5470 13.5470 13.7845 13.7845 14.2325 14.2325 14.3350 14.3350 14.5561 14.5561 18.8286 18.8286 21.7395 21.7395 k = 0.0000 0.1735-0.0000 ( 2737 PWs) bands (ev): -64.4752 -64.4752 -34.2215 -34.2215 -33.0172 -33.0172 -33.0121 -33.0121 6.3227 6.3227 8.4807 8.4807 8.5889 8.5889 10.2891 10.2891 10.3884 10.3884 11.0373 11.0373 13.5259 13.5259 13.7882 13.7882 14.1973 14.1973 14.3032 14.3032 14.5395 14.5395 18.6345 18.6345 21.8408 21.8408 k = 0.0000 0.1837-0.0000 ( 2713 PWs) bands (ev): -64.4710 -64.4710 -34.2216 -34.2216 -33.0176 -33.0176 -33.0119 -33.0119 6.3807 6.3807 8.4941 8.4941 8.6144 8.6144 10.2839 10.2839 10.3921 10.3921 11.0374 11.0374 13.5201 13.5201 13.7962 13.7962 14.1780 14.1780 14.2862 14.2862 14.5347 14.5347 18.4393 18.4393 21.9504 21.9504 k = 0.0000 0.1939-0.0000 ( 2717 PWs) bands (ev): -64.4717 -64.4717 -34.2219 -34.2219 -33.0182 -33.0182 -33.0119 -33.0119 6.4409 6.4409 8.5071 8.5071 8.6411 8.6411 10.2782 10.2782 10.3944 10.3944 11.0365 11.0365 13.4961 13.4961 13.8045 13.8045 14.1374 14.1374 14.2467 14.2467 14.5111 14.5111 18.2421 18.2421 22.0645 22.0645 k = 0.0000 0.2041-0.0000 ( 2717 PWs) bands (ev): -64.4717 -64.4717 -34.2221 -34.2221 -33.0187 -33.0187 -33.0118 -33.0118 6.5036 6.5036 8.5205 8.5205 8.6686 8.6686 10.2727 10.2727 10.3969 10.3969 11.0365 11.0365 13.4723 13.4723 13.8051 13.8051 14.1021 14.1021 14.2124 14.2124 14.4945 14.4945 18.0442 18.0442 22.1850 22.1850 k = 0.0000 0.2143-0.0000 ( 2725 PWs) bands (ev): -64.4731 -64.4731 -34.2223 -34.2223 -33.0193 -33.0193 -33.0118 -33.0118 6.5684 6.5684 8.5342 8.5342 8.6968 8.6968 10.2671 10.2671 10.3989 10.3989 11.0367 11.0367 13.4467 13.4467 13.8006 13.8006 14.0596 14.0596 14.1699 14.1699 14.4763 14.4763 17.8466 17.8466 22.3097 22.3097 k = 0.0000 0.2245-0.0000 ( 2725 PWs) bands (ev): -64.4731 -64.4731 -34.2226 -34.2226 -33.0199 -33.0199 -33.0118 -33.0118 6.6354 6.6354 8.5482 8.5482 8.7262 8.7262 10.2621 10.2621 10.4010 10.4010 11.0377 11.0377 13.4217 13.4217 13.7977 13.7977 14.0258 14.0258 14.1350 14.1350 14.4598 14.4598 17.6507 17.6507 22.4402 22.4402 k = 0.0000 0.2347-0.0000 ( 2729 PWs) bands (ev): -64.4739 -64.4739 -34.2228 -34.2228 -33.0204 -33.0204 -33.0117 -33.0117 6.7043 6.7043 8.5624 8.5624 8.7566 8.7566 10.2575 10.2575 10.4027 10.4027 11.0390 11.0390 13.3961 13.3961 13.7908 13.7908 13.9924 13.9924 14.0994 14.0994 14.4352 14.4352 17.4562 17.4562 22.5750 22.5750 k = 0.0000 0.2449-0.0000 ( 2737 PWs) bands (ev): -64.4753 -64.4753 -34.2230 -34.2230 -33.0210 -33.0210 -33.0117 -33.0117 6.7747 6.7747 8.5767 8.5767 8.7881 8.7881 10.2532 10.2532 10.4040 10.4040 11.0406 11.0406 13.3697 13.3697 13.7811 13.7811 13.9569 13.9569 14.0597 14.0597 14.4071 14.4071 17.2646 17.2646 22.7131 22.7131 k = 0.0000 0.2551-0.0000 ( 2733 PWs) bands (ev): -64.4746 -64.4746 -34.2233 -34.2233 -33.0216 -33.0216 -33.0117 -33.0117 6.8467 6.8467 8.5912 8.5912 8.8206 8.8206 10.2497 10.2497 10.4055 10.4055 11.0433 11.0433 13.3450 13.3450 13.7706 13.7706 13.9312 13.9312 14.0299 14.0299 14.3906 14.3906 17.0774 17.0774 22.8564 22.8564 k = 0.0000 0.2653-0.0000 ( 2733 PWs) bands (ev): -64.4746 -64.4746 -34.2235 -34.2235 -33.0221 -33.0221 -33.0116 -33.0116 6.9198 6.9198 8.6056 8.6056 8.8540 8.8540 10.2467 10.2467 10.4067 10.4067 11.0466 11.0466 13.3184 13.3184 13.7549 13.7549 13.9038 13.9038 13.9965 13.9965 14.3740 14.3740 16.8944 16.8944 23.0026 23.0026 k = 0.0000 0.2755-0.0000 ( 2733 PWs) bands (ev): -64.4745 -64.4745 -34.2237 -34.2237 -33.0227 -33.0227 -33.0116 -33.0116 6.9937 6.9937 8.6201 8.6201 8.8885 8.8885 10.2443 10.2443 10.4076 10.4076 11.0503 11.0503 13.2916 13.2916 13.7353 13.7353 13.8778 13.8778 13.9640 13.9640 14.3577 14.3577 16.7167 16.7167 23.1520 23.1520 k = 0.0000 0.2857-0.0000 ( 2733 PWs) bands (ev): -64.4745 -64.4745 -34.2239 -34.2239 -33.0233 -33.0233 -33.0115 -33.0115 7.0680 7.0680 8.6344 8.6344 8.9240 8.9240 10.2426 10.2426 10.4083 10.4083 11.0546 11.0546 13.2648 13.2648 13.7119 13.7119 13.8527 13.8527 13.9322 13.9322 14.3415 14.3415 16.5450 16.5450 23.3043 23.3043 k = 0.0000 0.2959-0.0000 ( 2733 PWs) bands (ev): -64.4744 -64.4744 -34.2242 -34.2242 -33.0238 -33.0238 -33.0115 -33.0115 7.1426 7.1426 8.6486 8.6486 8.9606 8.9606 10.2416 10.2416 10.4088 10.4088 11.0594 11.0594 13.2381 13.2381 13.6851 13.6851 13.8276 13.8276 13.9014 13.9014 14.3256 14.3256 16.3803 16.3803 23.4592 23.4592 k = 0.0000 0.3061-0.0000 ( 2741 PWs) bands (ev): -64.4758 -64.4758 -34.2244 -34.2244 -33.0244 -33.0244 -33.0115 -33.0115 7.2167 7.2167 8.6624 8.6624 8.9984 8.9984 10.2414 10.2414 10.4089 10.4089 11.0645 11.0645 13.2062 13.2062 13.6523 13.6523 13.7976 13.7976 13.8647 13.8647 14.3073 14.3073 16.2231 16.2231 23.6152 23.6152 k = 0.0000 0.3163-0.0000 ( 2745 PWs) bands (ev): -64.4765 -64.4765 -34.2246 -34.2246 -33.0250 -33.0250 -33.0114 -33.0114 7.2903 7.2903 8.6760 8.6760 9.0372 9.0372 10.2418 10.2418 10.4091 10.4091 11.0701 11.0701 13.1796 13.1796 13.6165 13.6165 13.7668 13.7668 13.8333 13.8333 14.2920 14.2920 16.0732 16.0732 23.7740 23.7740 k = 0.0000 0.3265-0.0000 ( 2745 PWs) bands (ev): -64.4764 -64.4764 -34.2249 -34.2249 -33.0255 -33.0255 -33.0114 -33.0114 7.3627 7.3627 8.6894 8.6894 9.0774 9.0774 10.2435 10.2435 10.4091 10.4091 11.0760 11.0760 13.1536 13.1536 13.5803 13.5803 13.7376 13.7376 13.8058 13.8058 14.2772 14.2772 15.9344 15.9344 23.9352 23.9352 k = 0.0000 0.3367-0.0000 ( 2750 PWs) bands (ev): -64.4773 -64.4773 -34.2251 -34.2251 -33.0260 -33.0260 -33.0114 -33.0114 7.4336 7.4336 8.7022 8.7022 9.1188 9.1188 10.2459 10.2459 10.4090 10.4090 11.0822 11.0822 13.1242 13.1242 13.5382 13.5382 13.7057 13.7057 13.7789 13.7789 14.2595 14.2595 15.8033 15.8033 24.0974 24.0974 k = 0.0000 0.3469-0.0000 ( 2750 PWs) bands (ev): -64.4772 -64.4772 -34.2253 -34.2253 -33.0265 -33.0265 -33.0113 -33.0113 7.5024 7.5024 8.7147 8.7147 9.1616 9.1616 10.2495 10.2495 10.4089 10.4089 11.0886 11.0886 13.0994 13.0994 13.4923 13.4923 13.6751 13.6751 13.7540 13.7540 14.2456 14.2456 15.6857 15.6857 24.2612 24.2612 k = 0.0000 0.3571-0.0000 ( 2750 PWs) bands (ev): -64.4772 -64.4772 -34.2255 -34.2255 -33.0269 -33.0269 -33.0113 -33.0113 7.5686 7.5686 8.7266 8.7266 9.2056 9.2056 10.2542 10.2542 10.4087 10.4087 11.0951 11.0951 13.0753 13.0753 13.4400 13.4400 13.6454 13.6454 13.7306 13.7306 14.2323 14.2323 15.5797 15.5797 24.4256 24.4256 k = 0.0000 0.3673-0.0000 ( 2750 PWs) bands (ev): -64.4771 -64.4771 -34.2256 -34.2256 -33.0273 -33.0273 -33.0113 -33.0113 7.6318 7.6318 8.7379 8.7379 9.2506 9.2506 10.2600 10.2600 10.4085 10.4085 11.1017 11.1017 13.0522 13.0522 13.3806 13.3806 13.6174 13.6174 13.7087 13.7087 14.2197 14.2197 15.4854 15.4854 24.5903 24.5903 k = 0.0000 0.3776-0.0000 ( 2750 PWs) bands (ev): -64.4770 -64.4770 -34.2258 -34.2258 -33.0277 -33.0277 -33.0112 -33.0112 7.6916 7.6916 8.7487 8.7487 9.2966 9.2966 10.2675 10.2675 10.4082 10.4082 11.1082 11.1082 13.0296 13.0296 13.3158 13.3158 13.5889 13.5889 13.6845 13.6845 14.2075 14.2075 15.4090 15.4090 24.7537 24.7537 k = 0.0000 0.3878-0.0000 ( 2750 PWs) bands (ev): -64.4770 -64.4770 -34.2260 -34.2260 -33.0281 -33.0281 -33.0112 -33.0112 7.7475 7.7475 8.7587 8.7587 9.3429 9.3429 10.2758 10.2758 10.4080 10.4080 11.1146 11.1146 13.0087 13.0087 13.2432 13.2432 13.5652 13.5652 13.6654 13.6654 14.1963 14.1963 15.3374 15.3374 24.9171 24.9171 k = 0.0000 0.3980-0.0000 ( 2754 PWs) bands (ev): -64.4776 -64.4776 -34.2261 -34.2261 -33.0285 -33.0285 -33.0112 -33.0112 7.7992 7.7992 8.7680 8.7680 9.3887 9.3887 10.2844 10.2844 10.4078 10.4078 11.1208 11.1208 12.9892 12.9892 13.1640 13.1640 13.5436 13.5436 13.6477 13.6477 14.1859 14.1859 15.2680 15.2680 25.0787 25.0787 k = 0.0000 0.4082-0.0000 ( 2754 PWs) bands (ev): -64.4776 -64.4776 -34.2262 -34.2262 -33.0288 -33.0288 -33.0111 -33.0111 7.8464 7.8464 8.7766 8.7766 9.4342 9.4342 10.2951 10.2951 10.4076 10.4076 11.1267 11.1267 12.9710 12.9710 13.0845 13.0845 13.5250 13.5250 13.6319 13.6319 14.1764 14.1764 15.2156 15.2156 25.2377 25.2377 k = 0.0000 0.4184-0.0000 ( 2746 PWs) bands (ev): -64.4761 -64.4761 -34.2263 -34.2263 -33.0291 -33.0291 -33.0111 -33.0111 7.8889 7.8889 8.7844 8.7844 9.4783 9.4783 10.3075 10.3075 10.4074 10.4074 11.1322 11.1322 12.9551 12.9551 13.0051 13.0051 13.5166 13.5166 13.6258 13.6258 14.1707 14.1707 15.1735 15.1735 25.3950 25.3950 k = 0.0000 0.4286-0.0000 ( 2738 PWs) bands (ev): -64.4747 -64.4747 -34.2264 -34.2264 -33.0293 -33.0293 -33.0110 -33.0110 7.9266 7.9266 8.7913 8.7913 9.5200 9.5200 10.3215 10.3215 10.4073 10.4073 11.1373 11.1373 12.9275 12.9275 12.9406 12.9406 13.5087 13.5087 13.6196 13.6196 14.1638 14.1638 15.1442 15.1442 25.5463 25.5463 k = 0.0000 0.4388-0.0000 ( 2738 PWs) bands (ev): -64.4747 -64.4747 -34.2265 -34.2265 -33.0295 -33.0295 -33.0110 -33.0110 7.9592 7.9592 8.7974 8.7974 9.5584 9.5584 10.3362 10.3362 10.4071 10.4071 11.1419 11.1419 12.8531 12.8531 12.9274 12.9274 13.4933 13.4933 13.6053 13.6053 14.1553 14.1553 15.1224 15.1224 25.6869 25.6869 k = 0.0000 0.4490-0.0000 ( 2746 PWs) bands (ev): -64.4761 -64.4761 -34.2266 -34.2266 -33.0297 -33.0297 -33.0110 -33.0110 7.9867 7.9867 8.8026 8.8026 9.5922 9.5922 10.3480 10.3480 10.4070 10.4070 11.1458 11.1458 12.7834 12.7834 12.9161 12.9161 13.4793 13.4793 13.5923 13.5923 14.1489 14.1489 15.0858 15.0858 25.8167 25.8167 k = 0.0000 0.4592-0.0000 ( 2738 PWs) bands (ev): -64.4747 -64.4747 -34.2267 -34.2267 -33.0299 -33.0299 -33.0110 -33.0110 8.0092 8.0092 8.8068 8.8068 9.6212 9.6212 10.3613 10.3613 10.4070 10.4070 11.1492 11.1492 12.7236 12.7236 12.9148 12.9148 13.4718 13.4718 13.5855 13.5855 14.1518 14.1518 15.0730 15.0730 25.9340 25.9340 k = 0.0000 0.4694-0.0000 ( 2738 PWs) bands (ev): -64.4747 -64.4747 -34.2267 -34.2267 -33.0300 -33.0300 -33.0109 -33.0109 8.0267 8.0267 8.8102 8.8102 9.6444 9.6444 10.3730 10.3730 10.4069 10.4069 11.1518 11.1518 12.6744 12.6744 12.9074 12.9074 13.4652 13.4652 13.5794 13.5794 14.1481 14.1481 15.0592 15.0592 26.0328 26.0328 k = 0.0000 0.4796-0.0000 ( 2738 PWs) bands (ev): -64.4747 -64.4747 -34.2268 -34.2268 -33.0301 -33.0301 -33.0109 -33.0109 8.0392 8.0392 8.8126 8.8126 9.6613 9.6613 10.3823 10.3823 10.4068 10.4068 11.1537 11.1537 12.6376 12.6376 12.9021 12.9021 13.4605 13.4605 13.5751 13.5751 14.1454 14.1454 15.0495 15.0495 26.1085 26.1085 k = 0.0000 0.4898-0.0000 ( 2730 PWs) bands (ev): -64.4733 -64.4733 -34.2268 -34.2268 -33.0301 -33.0301 -33.0109 -33.0109 8.0466 8.0466 8.8140 8.8140 9.6716 9.6716 10.3886 10.3886 10.4068 10.4068 11.1549 11.1549 12.6149 12.6149 12.9008 12.9008 13.4655 13.4655 13.5804 13.5804 14.1481 14.1481 15.0440 15.0440 26.1596 26.1596 k = 0.0000 0.5000-0.0000 ( 2730 PWs) bands (ev): -64.4733 -64.4733 -34.2268 -34.2268 -33.0301 -33.0301 -33.0109 -33.0109 8.0491 8.0491 8.8145 8.8145 9.6751 9.6751 10.3907 10.3907 10.4068 10.4068 11.1553 11.1553 12.6073 12.6073 12.8997 12.8997 13.4645 13.4645 13.5795 13.5795 14.1476 14.1476 15.0421 15.0421 26.1761 26.1761 k = 0.0000 0.5000-0.0000 ( 2730 PWs) bands (ev): -64.4733 -64.4733 -34.2268 -34.2268 -33.0301 -33.0301 -33.0109 -33.0109 8.0491 8.0491 8.8145 8.8145 9.6751 9.6751 10.3907 10.3907 10.4068 10.4068 11.1553 11.1553 12.6073 12.6073 12.8997 12.8997 13.4645 13.4645 13.5795 13.5795 14.1476 14.1476 15.0421 15.0421 26.1761 26.1761 k = 0.0102 0.5000-0.0000 ( 2734 PWs) bands (ev): -64.4740 -64.4740 -34.2268 -34.2268 -33.0301 -33.0301 -33.0109 -33.0109 8.0503 8.0503 8.8146 8.8146 9.6720 9.6720 10.3596 10.3596 10.4412 10.4412 11.1538 11.1538 12.6062 12.6062 12.8974 12.8974 13.4659 13.4659 13.5805 13.5805 14.1444 14.1444 15.0393 15.0393 26.1597 26.1597 k = 0.0204 0.5000-0.0000 ( 2738 PWs) bands (ev): -64.4747 -64.4747 -34.2268 -34.2268 -33.0302 -33.0302 -33.0110 -33.0110 8.0538 8.0538 8.8151 8.8151 9.6628 9.6628 10.3250 10.3250 10.4856 10.4856 11.1492 11.1492 12.6032 12.6032 12.9013 12.9013 13.4675 13.4675 13.5810 13.5810 14.1443 14.1443 15.0397 15.0397 26.1088 26.1088 k = 0.0306 0.5000-0.0000 ( 2746 PWs) bands (ev): -64.4761 -64.4761 -34.2269 -34.2269 -33.0302 -33.0302 -33.0111 -33.0111 8.0597 8.0597 8.8160 8.8160 9.6480 9.6480 10.2936 10.2936 10.5328 10.5328 11.1419 11.1419 12.5983 12.5983 12.9043 12.9043 13.4725 13.4725 13.5837 13.5837 14.1419 14.1419 15.0373 15.0373 26.0235 26.0235 k = 0.0408 0.5000-0.0000 ( 2746 PWs) bands (ev): -64.4761 -64.4761 -34.2269 -34.2269 -33.0302 -33.0302 -33.0112 -33.0112 8.0678 8.0678 8.8171 8.8171 9.6281 9.6281 10.2655 10.2655 10.5825 10.5825 11.1321 11.1321 12.5917 12.5917 12.9153 12.9153 13.4851 13.4851 13.5938 13.5938 14.1469 14.1469 15.0383 15.0383 25.9054 25.9054 k = 0.0510 0.5000-0.0000 ( 2746 PWs) bands (ev): -64.4761 -64.4761 -34.2270 -34.2270 -33.0302 -33.0302 -33.0113 -33.0113 8.0780 8.0780 8.8186 8.8186 9.6039 9.6039 10.2403 10.2403 10.6336 10.6336 11.1204 11.1204 12.5836 12.5836 12.9290 12.9290 13.5009 13.5009 13.6068 13.6068 14.1532 14.1532 15.0396 15.0396 25.7557 25.7557 k = 0.0612 0.5000-0.0000 ( 2742 PWs) bands (ev): -64.4753 -64.4753 -34.2270 -34.2270 -33.0303 -33.0303 -33.0114 -33.0114 8.0902 8.0902 8.8203 8.8203 9.5763 9.5763 10.2176 10.2176 10.6854 10.6854 11.1078 11.1078 12.5745 12.5745 12.9501 12.9501 13.5210 13.5210 13.6235 13.6235 14.1627 14.1627 15.0433 15.0433 25.5804 25.5804 k = 0.0714 0.5000-0.0000 ( 2740 PWs) bands (ev): -64.4749 -64.4749 -34.2271 -34.2271 -33.0303 -33.0303 -33.0115 -33.0115 8.1042 8.1042 8.8222 8.8222 9.5464 9.5464 10.1970 10.1970 10.7362 10.7362 11.0958 11.0958 12.5642 12.5642 12.9670 12.9670 13.5409 13.5409 13.6411 13.6411 14.1799 14.1799 15.0479 15.0479 25.3837 25.3837 k = 0.0816 0.5000-0.0000 ( 2740 PWs) bands (ev): -64.4749 -64.4749 -34.2272 -34.2272 -33.0303 -33.0303 -33.0117 -33.0117 8.1197 8.1197 8.8241 8.8241 9.5151 9.5151 10.1782 10.1782 10.7832 10.7832 11.0870 11.0870 12.5532 12.5532 12.9873 12.9873 13.5641 13.5641 13.6622 13.6622 14.1908 14.1908 15.0498 15.0498 25.1727 25.1727 k = 0.0918 0.5000-0.0000 ( 2736 PWs) bands (ev): -64.4742 -64.4742 -34.2272 -34.2272 -33.0303 -33.0303 -33.0118 -33.0118 8.1364 8.1364 8.8259 8.8259 9.4835 9.4835 10.1608 10.1608 10.8222 10.8222 11.0863 11.0863 12.5417 12.5417 13.0110 13.0110 13.5892 13.5892 13.6860 13.6860 14.2101 14.2101 15.0553 15.0553 24.9514 24.9514 k = 0.1020 0.5000-0.0000 ( 2736 PWs) bands (ev): -64.4741 -64.4741 -34.2273 -34.2273 -33.0304 -33.0304 -33.0120 -33.0120 8.1542 8.1542 8.8272 8.8272 9.4526 9.4526 10.1443 10.1443 10.8470 10.8470 11.0998 11.0998 12.5297 12.5297 13.0359 13.0359 13.6154 13.6154 13.7123 13.7123 14.2223 14.2223 15.0576 15.0576 24.7227 24.7227 k = 0.1122 0.5000-0.0000 ( 2732 PWs) bands (ev): -64.4734 -64.4734 -34.2275 -34.2275 -33.0304 -33.0304 -33.0122 -33.0122 8.1726 8.1726 8.8277 8.8277 9.4237 9.4237 10.1288 10.1288 10.8544 10.8544 11.1313 11.1313 12.5178 12.5178 13.0626 13.0626 13.6463 13.6463 13.7449 13.7449 14.2374 14.2374 15.0611 15.0611 24.4903 24.4903 k = 0.1224 0.5000-0.0000 ( 2736 PWs) bands (ev): -64.4740 -64.4740 -34.2276 -34.2276 -33.0305 -33.0305 -33.0125 -33.0125 8.1912 8.1912 8.8267 8.8267 9.3978 9.3978 10.1137 10.1137 10.8464 10.8464 11.1780 11.1780 12.5052 12.5052 13.0933 13.0933 13.6691 13.6691 13.7726 13.7726 14.2464 14.2464 15.0635 15.0635 24.2514 24.2514 k = 0.1327 0.5000-0.0000 ( 2732 PWs) bands (ev): -64.4733 -64.4733 -34.2277 -34.2277 -33.0306 -33.0306 -33.0127 -33.0127 8.2100 8.2100 8.8236 8.8236 9.3763 9.3763 10.0994 10.0994 10.8289 10.8289 11.2350 11.2350 12.4936 12.4936 13.1255 13.1255 13.7020 13.7020 13.8067 13.8067 14.2629 14.2629 15.0665 15.0665 24.0142 24.0142 k = 0.1429 0.5000-0.0000 ( 2732 PWs) bands (ev): -64.4732 -64.4732 -34.2278 -34.2278 -33.0306 -33.0306 -33.0130 -33.0130 8.2282 8.2282 8.8176 8.8176 9.3605 9.3605 10.0857 10.0857 10.8059 10.8059 11.2991 11.2991 12.4812 12.4812 13.1517 13.1517 13.7297 13.7297 13.8439 13.8439 14.2791 14.2791 15.0720 15.0720 23.7736 23.7736 k = 0.1531 0.5000-0.0000 ( 2736 PWs) bands (ev): -64.4739 -64.4739 -34.2280 -34.2280 -33.0307 -33.0307 -33.0132 -33.0132 8.2458 8.2458 8.8079 8.8079 9.3512 9.3512 10.0722 10.0722 10.7794 10.7794 11.3663 11.3663 12.4689 12.4689 13.1831 13.1831 13.7542 13.7542 13.8786 13.8786 14.2956 14.2956 15.0709 15.0709 23.5313 23.5313 k = 0.1633 0.5000-0.0000 ( 2736 PWs) bands (ev): -64.4739 -64.4739 -34.2282 -34.2282 -33.0308 -33.0308 -33.0135 -33.0135 8.2623 8.2623 8.7941 8.7941 9.3495 9.3495 10.0594 10.0594 10.7514 10.7514 11.4373 11.4373 12.4573 12.4573 13.2149 13.2149 13.7822 13.7822 13.9166 13.9166 14.3143 14.3143 15.0736 15.0736 23.2904 23.2904 k = 0.1735 0.5000-0.0000 ( 2736 PWs) bands (ev): -64.4739 -64.4739 -34.2283 -34.2283 -33.0310 -33.0310 -33.0138 -33.0138 8.2776 8.2776 8.7760 8.7760 9.3553 9.3553 10.0473 10.0473 10.7226 10.7226 11.5106 11.5106 12.4463 12.4463 13.2484 13.2484 13.8107 13.8107 13.9550 13.9550 14.3325 14.3325 15.0764 15.0764 23.0503 23.0503 k = 0.1837 0.5000-0.0000 ( 2736 PWs) bands (ev): -64.4738 -64.4738 -34.2285 -34.2285 -33.0311 -33.0311 -33.0140 -33.0140 8.2914 8.2914 8.7540 8.7540 9.3686 9.3686 10.0359 10.0359 10.6939 10.6939 11.5860 11.5860 12.4359 12.4359 13.2825 13.2825 13.8392 13.8392 13.9939 13.9939 14.3512 14.3512 15.0791 15.0791 22.8112 22.8112 k = 0.1939 0.5000-0.0000 ( 2732 PWs) bands (ev): -64.4730 -64.4730 -34.2287 -34.2287 -33.0312 -33.0312 -33.0143 -33.0143 8.3038 8.3038 8.7285 8.7285 9.3885 9.3885 10.0258 10.0258 10.6660 10.6660 11.6629 11.6629 12.4265 12.4265 13.3172 13.3172 13.8689 13.8689 14.0356 14.0356 14.3764 14.3764 15.0826 15.0826 22.5742 22.5742 k = 0.2041 0.5000-0.0000 ( 2736 PWs) bands (ev): -64.4737 -64.4737 -34.2288 -34.2288 -33.0314 -33.0314 -33.0145 -33.0145 8.3144 8.3144 8.7002 8.7002 9.4137 9.4137 10.0166 10.0166 10.6388 10.6388 11.7407 11.7407 12.4175 12.4175 13.3518 13.3518 13.8953 13.8953 14.0690 14.0690 14.3948 14.3948 15.0837 15.0837 22.3375 22.3375 k = 0.2143 0.5000-0.0000 ( 2732 PWs) bands (ev): -64.4729 -64.4729 -34.2290 -34.2290 -33.0315 -33.0315 -33.0148 -33.0148 8.3235 8.3235 8.6698 8.6698 9.4430 9.4430 10.0092 10.0092 10.6141 10.6141 11.8199 11.8199 12.4101 12.4101 13.3920 13.3920 13.9230 13.9230 14.1105 14.1105 14.4166 14.4166 15.0870 15.0870 22.1036 22.1036 k = 0.2245 0.5000-0.0000 ( 2732 PWs) bands (ev): -64.4728 -64.4728 -34.2292 -34.2292 -33.0317 -33.0317 -33.0150 -33.0150 8.3310 8.3310 8.6380 8.6380 9.4749 9.4749 10.0036 10.0036 10.5919 10.5919 11.8996 11.8996 12.4041 12.4041 13.4270 13.4270 13.9500 13.9500 14.1495 14.1495 14.4369 14.4369 15.0886 15.0886 21.8719 21.8719 k = 0.2347 0.5000-0.0000 ( 2732 PWs) bands (ev): -64.4727 -64.4727 -34.2294 -34.2294 -33.0319 -33.0319 -33.0152 -33.0152 8.3369 8.3369 8.6054 8.6054 9.5075 9.5075 10.0003 10.0003 10.5733 10.5733 11.9798 11.9798 12.4004 12.4004 13.4611 13.4611 13.9764 13.9764 14.1874 14.1874 14.4548 14.4548 15.0927 15.0927 21.6431 21.6431 k = 0.2449 0.5000-0.0000 ( 2720 PWs) bands (ev): -64.4705 -64.4705 -34.2295 -34.2295 -33.0320 -33.0320 -33.0154 -33.0154 8.3415 8.3415 8.5726 8.5726 9.5393 9.5393 10.0000 10.0000 10.5596 10.5596 12.0587 12.0587 12.4012 12.4012 13.5011 13.5011 14.0069 14.0069 14.2273 14.2273 14.4878 14.4878 15.0996 15.0996 21.4196 21.4196 k = 0.2551 0.5000-0.0000 ( 2720 PWs) bands (ev): -64.4705 -64.4705 -34.2297 -34.2297 -33.0322 -33.0322 -33.0156 -33.0156 8.3444 8.3444 8.5398 8.5398 9.5681 9.5681 10.0017 10.0017 10.5516 10.5516 12.1331 12.1331 12.4064 12.4064 13.5351 13.5351 14.0311 14.0311 14.2645 14.2645 14.5080 14.5080 15.0994 15.0994 21.1966 21.1966 k = 0.2653 0.5000-0.0000 ( 2724 PWs) bands (ev): -64.4711 -64.4711 -34.2299 -34.2299 -33.0325 -33.0325 -33.0159 -33.0159 8.3456 8.3456 8.5077 8.5077 9.5925 9.5925 10.0054 10.0054 10.5511 10.5511 12.1986 12.1986 12.4215 12.4215 13.5659 13.5659 14.0527 14.0527 14.3005 14.3005 14.5250 14.5250 15.0957 15.0957 20.9761 20.9761 k = 0.2755 0.5000-0.0000 ( 2730 PWs) bands (ev): -64.4721 -64.4721 -34.2301 -34.2301 -33.0327 -33.0327 -33.0161 -33.0161 8.3450 8.3450 8.4768 8.4768 9.6117 9.6117 10.0102 10.0102 10.5594 10.5594 12.2480 12.2480 12.4548 12.4548 13.5964 13.5964 14.0718 14.0718 14.3317 14.3317 14.5387 14.5387 15.0936 15.0936 20.7585 20.7585 k = 0.2857 0.5000-0.0000 ( 2730 PWs) bands (ev): -64.4721 -64.4721 -34.2303 -34.2303 -33.0330 -33.0330 -33.0163 -33.0163 8.3423 8.3423 8.4480 8.4480 9.6256 9.6256 10.0148 10.0148 10.5784 10.5784 12.2782 12.2782 12.5096 12.5096 13.6281 13.6281 14.0924 14.0924 14.3658 14.3658 14.5584 14.5584 15.0907 15.0907 20.5467 20.5467 k = 0.2959 0.5000-0.0000 ( 2730 PWs) bands (ev): -64.4720 -64.4720 -34.2305 -34.2305 -33.0332 -33.0332 -33.0164 -33.0164 8.3364 8.3364 8.4225 8.4225 9.6344 9.6344 10.0177 10.0177 10.6084 10.6084 12.2941 12.2941 12.5803 12.5803 13.6588 13.6588 14.1115 14.1115 14.3988 14.3988 14.5779 14.5779 15.0866 15.0866 20.3393 20.3393 k = 0.3061 0.5000-0.0000 ( 2728 PWs) bands (ev): -64.4716 -64.4716 -34.2307 -34.2307 -33.0335 -33.0335 -33.0165 -33.0165 8.3258 8.3258 8.4019 8.4019 9.6388 9.6388 10.0179 10.0179 10.6490 10.6490 12.3023 12.3023 12.6590 12.6590 13.6977 13.6977 14.1272 14.1272 14.4258 14.4258 14.6023 14.6023 15.0808 15.0808 20.1353 20.1353 k = 0.3163 0.5000-0.0000 ( 2728 PWs) bands (ev): -64.4715 -64.4715 -34.2308 -34.2308 -33.0337 -33.0337 -33.0167 -33.0167 8.3099 8.3099 8.3874 8.3874 9.6398 9.6398 10.0151 10.0151 10.6998 10.6998 12.3079 12.3079 12.7428 12.7428 13.7259 13.7259 14.1430 14.1430 14.4561 14.4561 14.6209 14.6209 15.0739 15.0739 19.9380 19.9380 k = 0.3265 0.5000-0.0000 ( 2728 PWs) bands (ev): -64.4715 -64.4715 -34.2310 -34.2310 -33.0340 -33.0340 -33.0168 -33.0168 8.2896 8.2896 8.3779 8.3779 9.6380 9.6380 10.0095 10.0095 10.7589 10.7589 12.3127 12.3127 12.8290 12.8290 13.7528 13.7528 14.1568 14.1568 14.4850 14.4850 14.6392 14.6392 15.0654 15.0654 19.7463 19.7463 k = 0.3367 0.5000-0.0000 ( 2736 PWs) bands (ev): -64.4728 -64.4728 -34.2312 -34.2312 -33.0343 -33.0343 -33.0170 -33.0170 8.2671 8.2671 8.3714 8.3714 9.6340 9.6340 10.0013 10.0013 10.8246 10.8246 12.3166 12.3166 12.9148 12.9148 13.7743 13.7743 14.1661 14.1661 14.5114 14.5114 14.6501 14.6501 15.0490 15.0490 19.5586 19.5586 k = 0.3469 0.5000-0.0000 ( 2722 PWs) bands (ev): -64.4703 -64.4703 -34.2313 -34.2313 -33.0345 -33.0345 -33.0170 -33.0170 8.2445 8.2445 8.3674 8.3674 9.6298 9.6298 9.9924 9.9924 10.8953 10.8953 12.3254 12.3254 13.0028 13.0028 13.8048 13.8048 14.1834 14.1834 14.5423 14.5423 14.6743 14.6743 15.0411 15.0411 19.3881 19.3881 k = 0.3571 0.5000-0.0000 ( 2728 PWs) bands (ev): -64.4713 -64.4713 -34.2315 -34.2315 -33.0348 -33.0348 -33.0171 -33.0171 8.2217 8.2217 8.3632 8.3632 9.6236 9.6236 9.9819 9.9819 10.9688 10.9688 12.3309 12.3309 13.0887 13.0887 13.8230 13.8230 14.1874 14.1874 14.5659 14.5659 14.6904 14.6904 15.0236 15.0236 19.2123 19.2123 k = 0.3673 0.5000-0.0000 ( 2728 PWs) bands (ev): -64.4713 -64.4713 -34.2316 -34.2316 -33.0350 -33.0350 -33.0172 -33.0172 8.2000 8.2000 8.3598 8.3598 9.6170 9.6170 9.9709 9.9709 11.0438 11.0438 12.3395 12.3395 13.1740 13.1740 13.8439 13.8439 14.1938 14.1938 14.5881 14.5881 14.7061 14.7061 15.0072 15.0072 19.0483 19.0483 k = 0.3776 0.5000-0.0000 ( 2724 PWs) bands (ev): -64.4706 -64.4706 -34.2317 -34.2317 -33.0352 -33.0352 -33.0173 -33.0173 8.1796 8.1796 8.3570 8.3570 9.6103 9.6103 9.9599 9.9599 11.1189 11.1189 12.3509 12.3509 13.2592 13.2592 13.8636 13.8636 14.1998 14.1998 14.6107 14.6107 14.7188 14.7188 14.9942 14.9942 18.8951 18.8951 k = 0.3878 0.5000-0.0000 ( 2724 PWs) bands (ev): -64.4706 -64.4706 -34.2319 -34.2319 -33.0354 -33.0354 -33.0173 -33.0173 8.1603 8.1603 8.3542 8.3542 9.6034 9.6034 9.9490 9.9490 11.1925 11.1925 12.3638 12.3638 13.3393 13.3393 13.8813 13.8813 14.2041 14.2041 14.6291 14.6291 14.7330 14.7330 14.9729 14.9729 18.7483 18.7483 k = 0.3980 0.5000-0.0000 ( 2720 PWs) bands (ev): -64.4699 -64.4699 -34.2320 -34.2320 -33.0356 -33.0356 -33.0174 -33.0174 8.1426 8.1426 8.3520 8.3520 9.5970 9.5970 9.9386 9.9386 11.2634 11.2634 12.3809 12.3809 13.4153 13.4153 13.8994 13.8994 14.2105 14.2105 14.6464 14.6464 14.7471 14.7471 14.9494 14.9494 18.6160 18.6160 k = 0.4082 0.5000-0.0000 ( 2722 PWs) bands (ev): -64.4702 -64.4702 -34.2321 -34.2321 -33.0358 -33.0358 -33.0174 -33.0174 8.1262 8.1262 8.3498 8.3498 9.5906 9.5906 9.9288 9.9288 11.3303 11.3303 12.3997 12.3997 13.4847 13.4847 13.9122 13.9122 14.2153 14.2153 14.6609 14.6609 14.7588 14.7588 14.9184 14.9184 18.4915 18.4915 k = 0.4184 0.5000-0.0000 ( 2722 PWs) bands (ev): -64.4702 -64.4702 -34.2322 -34.2322 -33.0360 -33.0360 -33.0175 -33.0175 8.1115 8.1115 8.3476 8.3476 9.5845 9.5845 9.9197 9.9197 11.3920 11.3920 12.4201 12.4201 13.5477 13.5477 13.9254 13.9254 14.2234 14.2234 14.6736 14.6736 14.7696 14.7696 14.8900 14.8900 18.3760 18.3760 k = 0.4286 0.5000-0.0000 ( 2714 PWs) bands (ev): -64.4688 -64.4688 -34.2323 -34.2323 -33.0361 -33.0361 -33.0175 -33.0175 8.0986 8.0986 8.3457 8.3457 9.5793 9.5793 9.9119 9.9119 11.4477 11.4477 12.4430 12.4430 13.6022 13.6022 13.9419 13.9419 14.2383 14.2383 14.6893 14.6893 14.7829 14.7829 14.8659 14.8659 18.2727 18.2727 k = 0.4388 0.5000-0.0000 ( 2714 PWs) bands (ev): -64.4688 -64.4688 -34.2323 -34.2323 -33.0362 -33.0362 -33.0175 -33.0175 8.0872 8.0872 8.3439 8.3439 9.5743 9.5743 9.9047 9.9047 11.4964 11.4964 12.4670 12.4670 13.6451 13.6451 13.9530 13.9530 14.2568 14.2568 14.6972 14.6972 14.7883 14.7883 14.8368 14.8368 18.1812 18.1812 k = 0.4490 0.5000-0.0000 ( 2714 PWs) bands (ev): -64.4688 -64.4688 -34.2324 -34.2324 -33.0364 -33.0364 -33.0175 -33.0175 8.0775 8.0775 8.3424 8.3424 9.5700 9.5700 9.8985 9.8985 11.5376 11.5376 12.4913 12.4913 13.6765 13.6765 13.9634 13.9634 14.2820 14.2820 14.7009 14.7009 14.7821 14.7821 14.8181 14.8181 18.1027 18.1027 k = 0.4592 0.5000-0.0000 ( 2710 PWs) bands (ev): -64.4681 -64.4681 -34.2324 -34.2324 -33.0365 -33.0365 -33.0175 -33.0175 8.0695 8.0695 8.3414 8.3414 9.5669 9.5669 9.8938 9.8938 11.5714 11.5714 12.5157 12.5157 13.6971 13.6971 13.9748 13.9748 14.3125 14.3125 14.6980 14.6980 14.7622 14.7622 14.8211 14.8211 18.0403 18.0403 k = 0.4694 0.5000-0.0000 ( 2708 PWs) bands (ev): -64.4678 -64.4678 -34.2325 -34.2325 -33.0365 -33.0365 -33.0175 -33.0175 8.0632 8.0632 8.3406 8.3406 9.5644 9.5644 9.8901 9.8901 11.5974 11.5974 12.5374 12.5374 13.7091 13.7091 13.9814 13.9814 14.3477 14.3477 14.6745 14.6745 14.7533 14.7533 14.8276 14.8276 17.9916 17.9916 k = 0.4796 0.5000-0.0000 ( 2704 PWs) bands (ev): -64.4671 -64.4671 -34.2325 -34.2325 -33.0366 -33.0366 -33.0175 -33.0175 8.0589 8.0589 8.3399 8.3399 9.5624 9.5624 9.8873 9.8873 11.6159 11.6159 12.5540 12.5540 13.7152 13.7152 13.9897 13.9897 14.3865 14.3865 14.6484 14.6484 14.7521 14.7521 14.8307 14.8307 17.9555 17.9555 k = 0.4898 0.5000-0.0000 ( 2704 PWs) bands (ev): -64.4671 -64.4671 -34.2325 -34.2325 -33.0366 -33.0366 -33.0175 -33.0175 8.0562 8.0562 8.3395 8.3395 9.5611 9.5611 9.8855 9.8855 11.6268 11.6268 12.5644 12.5644 13.7177 13.7177 13.9933 13.9933 14.4176 14.4176 14.6199 14.6199 14.7518 14.7518 14.8325 14.8325 17.9333 17.9333 k = 0.5000 0.5000-0.0000 ( 2704 PWs) bands (ev): -64.4671 -64.4671 -34.2325 -34.2325 -33.0366 -33.0366 -33.0175 -33.0175 8.0553 8.0553 8.3393 8.3393 9.5607 9.5607 9.8850 9.8850 11.6305 11.6305 12.5680 12.5680 13.7183 13.7183 13.9945 13.9945 14.4308 14.4308 14.6074 14.6074 14.7518 14.7518 14.8332 14.8332 17.9259 17.9259 k = 0.5000 0.5000-0.0000 ( 2704 PWs) bands (ev): -64.4671 -64.4671 -34.2325 -34.2325 -33.0366 -33.0366 -33.0175 -33.0175 8.0553 8.0553 8.3393 8.3393 9.5607 9.5607 9.8850 9.8850 11.6305 11.6305 12.5680 12.5680 13.7183 13.7183 13.9945 13.9945 14.4308 14.4308 14.6074 14.6074 14.7518 14.7518 14.8332 14.8332 17.9259 17.9259 k = 0.4928 0.4928-0.0000 ( 2704 PWs) bands (ev): -64.4671 -64.4671 -34.2325 -34.2325 -33.0366 -33.0366 -33.0175 -33.0175 8.0562 8.0562 8.3395 8.3395 9.5611 9.5611 9.8855 9.8855 11.6268 11.6268 12.5644 12.5644 13.7177 13.7177 13.9933 13.9933 14.4173 14.4173 14.6201 14.6201 14.7518 14.7518 14.8325 14.8325 17.9334 17.9334 k = 0.4855 0.4855-0.0000 ( 2704 PWs) bands (ev): -64.4671 -64.4671 -34.2325 -34.2325 -33.0366 -33.0366 -33.0175 -33.0175 8.0589 8.0589 8.3399 8.3399 9.5624 9.5624 9.8873 9.8873 11.6159 11.6159 12.5534 12.5534 13.7159 13.7159 13.9896 13.9896 14.3843 14.3843 14.6506 14.6506 14.7521 14.7521 14.8308 14.8308 17.9553 17.9553 k = 0.4783 0.4783-0.0000 ( 2712 PWs) bands (ev): -64.4685 -64.4685 -34.2325 -34.2325 -33.0366 -33.0366 -33.0175 -33.0175 8.0632 8.0632 8.3404 8.3404 9.5640 9.5640 9.8898 9.8898 11.5978 11.5978 12.5334 12.5334 13.7122 13.7122 13.9810 13.9810 14.3399 14.3399 14.6804 14.6804 14.7502 14.7502 14.8255 14.8255 17.9872 17.9872 k = 0.4710 0.4710-0.0000 ( 2720 PWs) bands (ev): -64.4699 -64.4699 -34.2325 -34.2325 -33.0365 -33.0365 -33.0176 -33.0176 8.0692 8.0692 8.3413 8.3413 9.5666 9.5666 9.8934 9.8934 11.5731 11.5731 12.5068 12.5068 13.7064 13.7064 13.9672 13.9672 14.2909 14.2909 14.7008 14.7008 14.7596 14.7596 14.8225 14.8225 18.0328 18.0328 k = 0.4638 0.4638-0.0000 ( 2714 PWs) bands (ev): -64.4688 -64.4688 -34.2324 -34.2324 -33.0364 -33.0364 -33.0175 -33.0175 8.0772 8.0772 8.3427 8.3427 9.5705 9.5705 9.8989 9.8989 11.5422 11.5422 12.4738 12.4738 13.6985 13.6985 13.9573 13.9573 14.2464 14.2464 14.7075 14.7075 14.7922 14.7922 14.8400 14.8400 18.0903 18.0903 k = 0.4565 0.4565-0.0000 ( 2714 PWs) bands (ev): -64.4688 -64.4688 -34.2323 -34.2323 -33.0362 -33.0362 -33.0175 -33.0175 8.0865 8.0865 8.3443 8.3443 9.5749 9.5749 9.9051 9.9051 11.5055 11.5055 12.4325 12.4325 13.6872 13.6872 13.9431 13.9431 14.2010 14.2010 14.7000 14.7000 14.7988 14.7988 14.8879 14.8879 18.1539 18.1539 k = 0.4493 0.4493-0.0000 ( 2712 PWs) bands (ev): -64.4685 -64.4685 -34.2322 -34.2322 -33.0361 -33.0361 -33.0175 -33.0175 8.0973 8.0973 8.3462 8.3462 9.5800 9.5800 9.9123 9.9123 11.4636 11.4636 12.3834 12.3834 13.6723 13.6723 13.9282 13.9282 14.1610 14.1610 14.6875 14.6875 14.7972 14.7972 14.9544 14.9544 18.2226 18.2226 k = 0.4420 0.4420-0.0000 ( 2714 PWs) bands (ev): -64.4688 -64.4688 -34.2322 -34.2322 -33.0359 -33.0359 -33.0174 -33.0174 8.1091 8.1091 8.3480 8.3480 9.5855 9.5855 9.9206 9.9206 11.4171 11.4171 12.3242 12.3242 13.6520 13.6520 13.9090 13.9090 14.1238 14.1238 14.6720 14.6720 14.7970 14.7970 15.0284 15.0284 18.2864 18.2864 k = 0.4348 0.4348-0.0000 ( 2716 PWs) bands (ev): -64.4692 -64.4692 -34.2321 -34.2321 -33.0357 -33.0357 -33.0174 -33.0174 8.1220 8.1220 8.3505 8.3505 9.5917 9.5917 9.9294 9.9294 11.3666 11.3666 12.2591 12.2591 13.6279 13.6279 13.8911 13.8911 14.0919 14.0919 14.6500 14.6500 14.7931 14.7931 15.1064 15.1064 18.3556 18.3556 k = 0.4275 0.4275-0.0000 ( 2712 PWs) bands (ev): -64.4685 -64.4685 -34.2319 -34.2319 -33.0355 -33.0355 -33.0174 -33.0174 8.1360 8.1360 8.3540 8.3540 9.5988 9.5988 9.9391 9.9391 11.3129 11.3129 12.1885 12.1885 13.6025 13.6025 13.8755 13.8755 14.0669 14.0669 14.6279 14.6279 14.7897 14.7897 15.1900 15.1900 18.4302 18.4302 k = 0.4203 0.4203-0.0000 ( 2718 PWs) bands (ev): -64.4696 -64.4696 -34.2318 -34.2318 -33.0353 -33.0353 -33.0173 -33.0173 8.1500 8.1500 8.3578 8.3578 9.6058 9.6058 9.9490 9.9490 11.2562 11.2562 12.1094 12.1094 13.5731 13.5731 13.8566 13.8566 14.0402 14.0402 14.5981 14.5981 14.7852 14.7852 15.2738 15.2738 18.4958 18.4958 k = 0.4130 0.4130-0.0000 ( 2722 PWs) bands (ev): -64.4703 -64.4703 -34.2317 -34.2317 -33.0351 -33.0351 -33.0173 -33.0173 8.1640 8.1640 8.3624 8.3624 9.6134 9.6134 9.9594 9.9594 11.1974 11.1974 12.0246 12.0246 13.5431 13.5431 13.8388 13.8388 14.0163 14.0163 14.5700 14.5700 14.7809 14.7809 15.3625 15.3625 18.5587 18.5587 k = 0.4058 0.4058-0.0000 ( 2714 PWs) bands (ev): -64.4689 -64.4689 -34.2315 -34.2315 -33.0347 -33.0347 -33.0172 -33.0172 8.1777 8.1777 8.3684 8.3684 9.6214 9.6214 9.9704 9.9704 11.1373 11.1373 11.9351 11.9351 13.5147 13.5147 13.8283 13.8283 14.0031 14.0031 14.5470 14.5470 14.7793 14.7793 15.4648 15.4648 18.6190 18.6190 k = 0.3986 0.3986-0.0000 ( 2718 PWs) bands (ev): -64.4697 -64.4697 -34.2314 -34.2314 -33.0344 -33.0344 -33.0172 -33.0172 8.1897 8.1897 8.3757 8.3757 9.6287 9.6287 9.9805 9.9805 11.0762 11.0762 11.8409 11.8409 13.4852 13.4852 13.8139 13.8139 13.9871 13.9871 14.5151 14.5151 14.7693 14.7693 15.5683 15.5683 18.6700 18.6700 k = 0.3913 0.3913-0.0000 ( 2716 PWs) bands (ev): -64.4694 -64.4694 -34.2312 -34.2312 -33.0341 -33.0341 -33.0171 -33.0171 8.2000 8.2000 8.3852 8.3852 9.6365 9.6365 9.9904 9.9904 11.0151 11.0151 11.7450 11.7450 13.4611 13.4611 13.8015 13.8015 13.9729 13.9729 14.4826 14.4826 14.7659 14.7659 15.6723 15.6723 18.7223 18.7223 k = 0.3841 0.3841-0.0000 ( 2718 PWs) bands (ev): -64.4698 -64.4698 -34.2310 -34.2310 -33.0338 -33.0338 -33.0171 -33.0171 8.2072 8.2072 8.3969 8.3969 9.6436 9.6436 9.9993 9.9993 10.9546 10.9546 11.6473 11.6473 13.4371 13.4371 13.7873 13.7873 13.9572 13.9572 14.4494 14.4494 14.7622 14.7622 15.7780 15.7780 18.7669 18.7669 k = 0.3768 0.3768-0.0000 ( 2714 PWs) bands (ev): -64.4692 -64.4692 -34.2308 -34.2308 -33.0334 -33.0334 -33.0170 -33.0170 8.2116 8.2116 8.4112 8.4112 9.6501 9.6501 10.0067 10.0067 10.8959 10.8959 11.5498 11.5498 13.4185 13.4185 13.7762 13.7762 13.9466 13.9466 14.4161 14.4161 14.7591 14.7591 15.8893 15.8893 18.8113 18.8113 k = 0.3696 0.3696-0.0000 ( 2714 PWs) bands (ev): -64.4693 -64.4693 -34.2306 -34.2306 -33.0330 -33.0330 -33.0169 -33.0169 8.2121 8.2121 8.4277 8.4277 9.6553 9.6553 10.0119 10.0119 10.8398 10.8398 11.4532 11.4532 13.4009 13.4009 13.7626 13.7626 13.9344 13.9344 14.3805 14.3805 14.7558 14.7558 16.0017 16.0017 18.8501 18.8501 k = 0.3623 0.3623-0.0000 ( 2714 PWs) bands (ev): -64.4693 -64.4693 -34.2304 -34.2304 -33.0326 -33.0326 -33.0169 -33.0169 8.2089 8.2089 8.4463 8.4463 9.6586 9.6586 10.0145 10.0145 10.7877 10.7877 11.3587 11.3587 13.3860 13.3860 13.7488 13.7488 13.9231 13.9231 14.3445 14.3445 14.7524 14.7524 16.1165 16.1165 18.8859 18.8859 k = 0.3551 0.3551-0.0000 ( 2714 PWs) bands (ev): -64.4694 -64.4694 -34.2302 -34.2302 -33.0322 -33.0322 -33.0168 -33.0168 8.2020 8.2020 8.4665 8.4665 9.6592 9.6592 10.0139 10.0139 10.7408 10.7408 11.2673 11.2673 13.3737 13.3737 13.7342 13.7342 13.9145 13.9145 14.3062 14.3062 14.7491 14.7491 16.2349 16.2349 18.9188 18.9188 k = 0.3478 0.3478-0.0000 ( 2714 PWs) bands (ev): -64.4694 -64.4694 -34.2300 -34.2300 -33.0318 -33.0318 -33.0167 -33.0167 8.1911 8.1911 8.4878 8.4878 9.6562 9.6562 10.0104 10.0104 10.7005 10.7005 11.1800 11.1800 13.3643 13.3643 13.7202 13.7202 13.9046 13.9046 14.2700 14.2700 14.7457 14.7457 16.3536 16.3536 18.9501 18.9501 k = 0.3406 0.3406-0.0000 ( 2720 PWs) bands (ev): -64.4705 -64.4705 -34.2298 -34.2298 -33.0314 -33.0314 -33.0166 -33.0166 8.1760 8.1760 8.5096 8.5096 9.6480 9.6480 10.0043 10.0043 10.6671 10.6671 11.0973 11.0973 13.3546 13.3546 13.7037 13.7037 13.8925 13.8925 14.2288 14.2288 14.7422 14.7422 16.4724 16.4724 18.9771 18.9771 k = 0.3333 0.3333-0.0000 ( 2706 PWs) bands (ev): -64.4681 -64.4681 -34.2295 -34.2295 -33.0309 -33.0309 -33.0165 -33.0165 8.1578 8.1578 8.5317 8.5317 9.6340 9.6340 9.9974 9.9974 10.6420 10.6420 11.0206 11.0206 13.3542 13.3542 13.6942 13.6942 13.8917 13.8917 14.2072 14.2072 14.7423 14.7423 16.5979 16.5979 19.0093 19.0093 k = 0.3261 0.3261-0.0000 ( 2714 PWs) bands (ev): -64.4696 -64.4696 -34.2293 -34.2293 -33.0304 -33.0304 -33.0164 -33.0164 8.1346 8.1346 8.5532 8.5532 9.6120 9.6120 9.9906 9.9906 10.6227 10.6227 10.9501 10.9501 13.3512 13.3512 13.6772 13.6772 13.8761 13.8761 14.1667 14.1667 14.7371 14.7371 16.7172 16.7172 19.0354 19.0354 k = 0.3188 0.3188-0.0000 ( 2714 PWs) bands (ev): -64.4697 -64.4697 -34.2290 -34.2290 -33.0299 -33.0299 -33.0164 -33.0164 8.1074 8.1074 8.5741 8.5741 9.5824 9.5824 9.9859 9.9859 10.6088 10.6088 10.8875 10.8875 13.3528 13.3528 13.6604 13.6604 13.8701 13.8701 14.1331 14.1331 14.7326 14.7326 16.8426 16.8426 19.0623 19.0623 k = 0.3116 0.3116-0.0000 ( 2710 PWs) bands (ev): -64.4691 -64.4691 -34.2287 -34.2287 -33.0294 -33.0294 -33.0162 -33.0162 8.0754 8.0754 8.5939 8.5939 9.5456 9.5456 9.9846 9.9846 10.5972 10.5972 10.8344 10.8344 13.3559 13.3559 13.6483 13.6483 13.8661 13.8661 14.1031 14.1031 14.7322 14.7322 16.9693 16.9693 19.0885 19.0885 k = 0.3043 0.3043-0.0000 ( 2710 PWs) bands (ev): -64.4692 -64.4692 -34.2285 -34.2285 -33.0289 -33.0289 -33.0162 -33.0162 8.0385 8.0385 8.6124 8.6124 9.5028 9.5028 9.9868 9.9868 10.5841 10.5841 10.7932 10.7932 13.3612 13.3612 13.6363 13.6363 13.8599 13.8599 14.0658 14.0658 14.7345 14.7345 17.0957 17.0957 19.1133 19.1133 k = 0.2971 0.2971-0.0000 ( 2714 PWs) bands (ev): -64.4700 -64.4700 -34.2282 -34.2282 -33.0284 -33.0284 -33.0161 -33.0161 7.9966 7.9966 8.6290 8.6290 9.4560 9.4560 9.9920 9.9920 10.5658 10.5658 10.7665 10.7665 13.3682 13.3682 13.6219 13.6219 13.8483 13.8483 14.0360 14.0360 14.7309 14.7309 17.2202 17.2202 19.1389 19.1389 k = 0.2899 0.2899-0.0000 ( 2714 PWs) bands (ev): -64.4701 -64.4701 -34.2279 -34.2279 -33.0279 -33.0279 -33.0159 -33.0159 7.9499 7.9499 8.6438 8.6438 9.4067 9.4067 10.0000 10.0000 10.5413 10.5413 10.7544 10.7544 13.3783 13.3783 13.6117 13.6117 13.8416 13.8416 14.0086 14.0086 14.7275 14.7275 17.3472 17.3472 19.1656 19.1656 k = 0.2826 0.2826-0.0000 ( 2714 PWs) bands (ev): -64.4702 -64.4702 -34.2276 -34.2276 -33.0274 -33.0274 -33.0158 -33.0158 7.8982 7.8982 8.6564 8.6564 9.3567 9.3567 10.0103 10.0103 10.5125 10.5125 10.7540 10.7540 13.3906 13.3906 13.6027 13.6027 13.8351 13.8351 13.9836 13.9836 14.7242 14.7242 17.4746 17.4746 19.1929 19.1929 k = 0.2754 0.2754-0.0000 ( 2718 PWs) bands (ev): -64.4710 -64.4710 -34.2274 -34.2274 -33.0269 -33.0269 -33.0157 -33.0157 7.8416 7.8416 8.6666 8.6666 9.3068 9.3068 10.0224 10.0224 10.4823 10.4823 10.7613 10.7613 13.4035 13.4035 13.5949 13.5949 13.8275 13.8275 13.9547 13.9547 14.7202 14.7202 17.6017 17.6017 19.2198 19.2198 k = 0.2681 0.2681-0.0000 ( 2718 PWs) bands (ev): -64.4711 -64.4711 -34.2271 -34.2271 -33.0263 -33.0263 -33.0156 -33.0156 7.7805 7.7805 8.6745 8.6745 9.2581 9.2581 10.0360 10.0360 10.4532 10.4532 10.7735 10.7735 13.4193 13.4193 13.5864 13.5864 13.8217 13.8217 13.9377 13.9377 14.7173 14.7173 17.7290 17.7290 19.2489 19.2489 k = 0.2609 0.2609-0.0000 ( 2718 PWs) bands (ev): -64.4711 -64.4711 -34.2268 -34.2268 -33.0258 -33.0258 -33.0155 -33.0155 7.7153 7.7153 8.6799 8.6799 9.2110 9.2110 10.0508 10.0508 10.4262 10.4262 10.7887 10.7887 13.4372 13.4372 13.5822 13.5822 13.8164 13.8164 13.9203 13.9203 14.7142 14.7142 17.8562 17.8562 19.2795 19.2795 k = 0.2536 0.2536-0.0000 ( 2718 PWs) bands (ev): -64.4712 -64.4712 -34.2265 -34.2265 -33.0252 -33.0252 -33.0154 -33.0154 7.6465 7.6465 8.6830 8.6830 9.1657 9.1657 10.0665 10.0665 10.4021 10.4021 10.8055 10.8055 13.4561 13.4561 13.5807 13.5807 13.8115 13.8115 13.9057 13.9057 14.7111 14.7111 17.9829 17.9829 19.3116 19.3116 k = 0.2464 0.2464-0.0000 ( 2730 PWs) bands (ev): -64.4734 -64.4734 -34.2262 -34.2262 -33.0247 -33.0247 -33.0154 -33.0154 7.5748 7.5748 8.6833 8.6833 9.1220 9.1220 10.0822 10.0822 10.3803 10.3803 10.8229 10.8229 13.4663 13.4663 13.5839 13.5839 13.8022 13.8022 13.8901 13.8901 14.6925 14.6925 18.1073 18.1073 19.3449 19.3449 k = 0.2391 0.2391-0.0000 ( 2730 PWs) bands (ev): -64.4735 -64.4735 -34.2259 -34.2259 -33.0242 -33.0242 -33.0152 -33.0152 7.5002 7.5002 8.6818 8.6818 9.0804 9.0804 10.0991 10.0991 10.3623 10.3623 10.8407 10.8407 13.4821 13.4821 13.5920 13.5920 13.7986 13.7986 13.8817 13.8817 14.6896 14.6896 18.2324 18.2324 19.3809 19.3809 k = 0.2319 0.2319-0.0000 ( 2730 PWs) bands (ev): -64.4736 -64.4736 -34.2256 -34.2256 -33.0236 -33.0236 -33.0151 -33.0151 7.4236 7.4236 8.6781 8.6781 9.0404 9.0404 10.1162 10.1162 10.3474 10.3474 10.8584 10.8584 13.4952 13.4952 13.6061 13.6061 13.7956 13.7956 13.8766 13.8766 14.6868 14.6868 18.3563 18.3563 19.4194 19.4194 k = 0.2246 0.2246-0.0000 ( 2734 PWs) bands (ev): -64.4744 -64.4744 -34.2253 -34.2253 -33.0231 -33.0231 -33.0150 -33.0150 7.3454 7.3454 8.6726 8.6726 9.0019 9.0019 10.1333 10.1333 10.3353 10.3353 10.8755 10.8755 13.5052 13.5052 13.6201 13.6201 13.7927 13.7927 13.8715 13.8715 14.6841 14.6841 18.4784 18.4784 19.4591 19.4591 k = 0.2174 0.2174-0.0000 ( 2734 PWs) bands (ev): -64.4744 -64.4744 -34.2250 -34.2250 -33.0225 -33.0225 -33.0149 -33.0149 7.2665 7.2665 8.6654 8.6654 8.9647 8.9647 10.1504 10.1504 10.3260 10.3260 10.8920 10.8920 13.5132 13.5132 13.6449 13.6449 13.7908 13.7908 13.8739 13.8739 14.6815 14.6815 18.5987 18.5987 19.5034 19.5034 k = 0.2101 0.2101-0.0000 ( 2730 PWs) bands (ev): -64.4738 -64.4738 -34.2247 -34.2247 -33.0220 -33.0220 -33.0147 -33.0147 7.1873 7.1873 8.6568 8.6568 8.9288 8.9288 10.1672 10.1672 10.3192 10.3192 10.9077 10.9077 13.5222 13.5222 13.6738 13.6738 13.7903 13.7903 13.8864 13.8864 14.6806 14.6806 18.7166 18.7166 19.5521 19.5521 k = 0.2029 0.2029-0.0000 ( 2734 PWs) bands (ev): -64.4745 -64.4745 -34.2245 -34.2245 -33.0214 -33.0214 -33.0146 -33.0146 7.1080 7.1080 8.6468 8.6468 8.8939 8.8939 10.1834 10.1834 10.3141 10.3141 10.9222 10.9222 13.5264 13.5264 13.7051 13.7051 13.7873 13.7873 13.8951 13.8951 14.6730 14.6730 18.8306 18.8306 19.6039 19.6039 k = 0.1957 0.1957-0.0000 ( 2734 PWs) bands (ev): -64.4746 -64.4746 -34.2242 -34.2242 -33.0209 -33.0209 -33.0145 -33.0145 7.0292 7.0292 8.6357 8.6357 8.8601 8.8601 10.1990 10.1990 10.3114 10.3114 10.9358 10.9358 13.5327 13.5327 13.7337 13.7337 13.7898 13.7898 13.9111 13.9111 14.6708 14.6708 18.9417 18.9417 19.6602 19.6602 k = 0.1884 0.1884-0.0000 ( 2726 PWs) bands (ev): -64.4732 -64.4732 -34.2239 -34.2239 -33.0203 -33.0203 -33.0143 -33.0143 6.9512 6.9512 8.6239 8.6239 8.8273 8.8273 10.2140 10.2140 10.3107 10.3107 10.9485 10.9485 13.5477 13.5477 13.7578 13.7578 13.8045 13.8045 13.9357 13.9357 14.6706 14.6706 19.0493 19.0493 19.7230 19.7230 k = 0.1812 0.1812-0.0000 ( 2726 PWs) bands (ev): -64.4733 -64.4733 -34.2236 -34.2236 -33.0198 -33.0198 -33.0142 -33.0142 6.8744 6.8744 8.6112 8.6112 8.7954 8.7954 10.2277 10.2277 10.3113 10.3113 10.9600 10.9600 13.5544 13.5544 13.7656 13.7656 13.8299 13.8299 13.9607 13.9607 14.6689 14.6689 19.1514 19.1514 19.7897 19.7897 k = 0.1739 0.1739-0.0000 ( 2730 PWs) bands (ev): -64.4740 -64.4740 -34.2233 -34.2233 -33.0193 -33.0193 -33.0141 -33.0141 6.7990 6.7990 8.5978 8.5978 8.7642 8.7642 10.2404 10.2404 10.3130 10.3130 10.9703 10.9703 13.5601 13.5601 13.7648 13.7648 13.8602 13.8602 13.9885 13.9885 14.6640 14.6640 19.2477 19.2477 19.8614 19.8614 k = 0.1667 0.1667-0.0000 ( 2730 PWs) bands (ev): -64.4740 -64.4740 -34.2230 -34.2230 -33.0188 -33.0188 -33.0140 -33.0140 6.7254 6.7254 8.5841 8.5841 8.7340 8.7340 10.2520 10.2520 10.3160 10.3160 10.9798 10.9798 13.5680 13.5680 13.7641 13.7641 13.8953 13.8953 14.0211 14.0211 14.6626 14.6626 19.3390 19.3390 19.9395 19.9395 k = 0.1594 0.1594-0.0000 ( 2722 PWs) bands (ev): -64.4726 -64.4726 -34.2228 -34.2228 -33.0183 -33.0183 -33.0138 -33.0138 6.6538 6.6538 8.5701 8.5701 8.7050 8.7050 10.2626 10.2626 10.3203 10.3203 10.9886 10.9886 13.5779 13.5779 13.7691 13.7691 13.9360 13.9360 14.0614 14.0614 14.6663 14.6663 19.4256 19.4256 20.0237 20.0237 k = 0.1522 0.1522-0.0000 ( 2726 PWs) bands (ev): -64.4733 -64.4733 -34.2225 -34.2225 -33.0178 -33.0178 -33.0137 -33.0137 6.5842 6.5842 8.5558 8.5558 8.6766 8.6766 10.2717 10.2717 10.3247 10.3247 10.9964 10.9964 13.5852 13.5852 13.7629 13.7629 13.9716 13.9716 14.0973 14.0973 14.6649 14.6649 19.5055 19.5055 20.1116 20.1116 k = 0.1449 0.1449-0.0000 ( 2730 PWs) bands (ev): -64.4740 -64.4740 -34.2223 -34.2223 -33.0174 -33.0174 -33.0137 -33.0137 6.5170 6.5170 8.5415 8.5415 8.6492 8.6492 10.2801 10.2801 10.3293 10.3293 11.0033 11.0033 13.5938 13.5938 13.7594 13.7594 14.0065 14.0065 14.1337 14.1337 14.6616 14.6616 19.5810 19.5810 20.2036 20.2036 k = 0.1377 0.1377-0.0000 ( 2730 PWs) bands (ev): -64.4740 -64.4740 -34.2220 -34.2220 -33.0169 -33.0169 -33.0135 -33.0135 6.4523 6.4523 8.5273 8.5273 8.6230 8.6230 10.2877 10.2877 10.3341 10.3341 11.0097 11.0097 13.6033 13.6033 13.7576 13.7576 14.0452 14.0452 14.1741 14.1741 14.6613 14.6613 19.6526 19.6526 20.2988 20.2988 k = 0.1304 0.1304-0.0000 ( 2742 PWs) bands (ev): -64.4762 -64.4762 -34.2218 -34.2218 -33.0166 -33.0166 -33.0135 -33.0135 6.3902 6.3902 8.5129 8.5129 8.5975 8.5975 10.2943 10.2943 10.3382 10.3382 11.0152 11.0152 13.6055 13.6055 13.7479 13.7479 14.0795 14.0795 14.2107 14.2107 14.6537 14.6537 19.7194 19.7194 20.3951 20.3951 k = 0.1232 0.1232-0.0000 ( 2743 PWs) bands (ev): -64.4763 -64.4763 -34.2216 -34.2216 -33.0161 -33.0161 -33.0134 -33.0134 6.3310 6.3310 8.4990 8.4990 8.5734 8.5734 10.3007 10.3007 10.3423 10.3423 11.0204 11.0204 13.6149 13.6149 13.7462 13.7462 14.1184 14.1184 14.2497 14.2497 14.6542 14.6542 19.7836 19.7836 20.4935 20.4935 k = 0.1159 0.1159-0.0000 ( 2739 PWs) bands (ev): -64.4756 -64.4756 -34.2214 -34.2214 -33.0157 -33.0157 -33.0133 -33.0133 6.2747 6.2747 8.4856 8.4856 8.5506 8.5506 10.3069 10.3069 10.3461 10.3461 11.0254 11.0254 13.6263 13.6263 13.7454 13.7454 14.1619 14.1619 14.2943 14.2943 14.6554 14.6554 19.8448 19.8448 20.5925 20.5925 k = 0.1087 0.1087-0.0000 ( 2743 PWs) bands (ev): -64.4763 -64.4763 -34.2212 -34.2212 -33.0154 -33.0154 -33.0132 -33.0132 6.2214 6.2214 8.4723 8.4723 8.5287 8.5287 10.3123 10.3123 10.3491 10.3491 11.0299 11.0299 13.6319 13.6319 13.7400 13.7400 14.1995 14.1995 14.3304 14.3304 14.6598 14.6598 19.9018 19.9018 20.6902 20.6902 k = 0.1014 0.1014-0.0000 ( 2739 PWs) bands (ev): -64.4756 -64.4756 -34.2210 -34.2210 -33.0150 -33.0150 -33.0131 -33.0131 6.1712 6.1712 8.4597 8.4597 8.5082 8.5082 10.3176 10.3176 10.3518 10.3518 11.0343 11.0343 13.6423 13.6423 13.7389 13.7389 14.2456 14.2456 14.3706 14.3706 14.6624 14.6624 19.9559 19.9559 20.7875 20.7875 k = 0.0942 0.0942-0.0000 ( 2733 PWs) bands (ev): -64.4745 -64.4745 -34.2208 -34.2208 -33.0146 -33.0146 -33.0130 -33.0130 6.1242 6.1242 8.4477 8.4477 8.4892 8.4892 10.3227 10.3227 10.3539 10.3539 11.0385 11.0385 13.6519 13.6519 13.7408 13.7408 14.2920 14.2920 14.4094 14.4094 14.6674 14.6674 20.0063 20.0063 20.8831 20.8831 k = 0.0870 0.0870-0.0000 ( 2735 PWs) bands (ev): -64.4749 -64.4749 -34.2206 -34.2206 -33.0143 -33.0143 -33.0129 -33.0129 6.0803 6.0803 8.4362 8.4362 8.4713 8.4713 10.3271 10.3271 10.3553 10.3553 11.0419 11.0419 13.6602 13.6602 13.7397 13.7397 14.3279 14.3279 14.4383 14.4383 14.6716 14.6716 20.0518 20.0518 20.9759 20.9759 k = 0.0797 0.0797-0.0000 ( 2727 PWs) bands (ev): -64.4735 -64.4735 -34.2204 -34.2204 -33.0140 -33.0140 -33.0128 -33.0128 6.0399 6.0399 8.4256 8.4256 8.4549 8.4549 10.3317 10.3317 10.3565 10.3565 11.0456 11.0456 13.6711 13.6711 13.7427 13.7427 14.3717 14.3717 14.4729 14.4729 14.6791 14.6791 20.0932 20.0932 21.0661 21.0661 k = 0.0725 0.0725-0.0000 ( 2739 PWs) bands (ev): -64.4757 -64.4757 -34.2203 -34.2203 -33.0138 -33.0138 -33.0128 -33.0128 6.0026 6.0026 8.4154 8.4154 8.4392 8.4392 10.3352 10.3352 10.3565 10.3565 11.0480 11.0480 13.6761 13.6761 13.7330 13.7330 14.3968 14.3968 14.4915 14.4915 14.6805 14.6805 20.1288 20.1288 21.1518 21.1518 k = 0.0652 0.0652-0.0000 ( 2739 PWs) bands (ev): -64.4757 -64.4757 -34.2202 -34.2202 -33.0135 -33.0135 -33.0128 -33.0128 5.9688 5.9688 8.4062 8.4062 8.4254 8.4254 10.3387 10.3387 10.3567 10.3567 11.0507 11.0507 13.6840 13.6840 13.7322 13.7322 14.4290 14.4290 14.5117 14.5117 14.6898 14.6898 20.1597 20.1597 21.2337 21.2337 k = 0.0580 0.0580-0.0000 ( 2743 PWs) bands (ev): -64.4764 -64.4764 -34.2201 -34.2201 -33.0133 -33.0133 -33.0127 -33.0127 5.9384 5.9384 8.3978 8.3978 8.4127 8.4127 10.3417 10.3417 10.3564 10.3564 11.0531 11.0531 13.6903 13.6903 13.7262 13.7262 14.4569 14.4569 14.5270 14.5270 14.6992 14.6992 20.1853 20.1853 21.3103 21.3103 k = 0.0507 0.0507-0.0000 ( 2751 PWs) bands (ev): -64.4778 -64.4778 -34.2200 -34.2200 -33.0132 -33.0132 -33.0127 -33.0127 5.9115 5.9115 8.3902 8.3902 8.4014 8.4014 10.3441 10.3441 10.3559 10.3559 11.0549 11.0549 13.6939 13.6939 13.7193 13.7193 14.4781 14.4781 14.5358 14.5358 14.7080 14.7080 20.2060 20.2060 21.3811 21.3811 k = 0.0435 0.0435-0.0000 ( 2753 PWs) bands (ev): -64.4782 -64.4782 -34.2199 -34.2199 -33.0130 -33.0130 -33.0127 -33.0127 5.8881 5.8881 8.3836 8.3836 8.3918 8.3918 10.3464 10.3464 10.3554 10.3554 11.0567 11.0567 13.6985 13.6985 13.7182 13.7182 14.4999 14.4999 14.5449 14.5449 14.7183 14.7183 20.2221 20.2221 21.4453 21.4453 k = 0.0362 0.0362-0.0000 ( 2751 PWs) bands (ev): -64.4779 -64.4779 -34.2198 -34.2198 -33.0129 -33.0129 -33.0126 -33.0126 5.8684 5.8684 8.3780 8.3780 8.3837 8.3837 10.3486 10.3486 10.3550 10.3550 11.0585 11.0585 13.7044 13.7044 13.7176 13.7176 14.5227 14.5227 14.5539 14.5539 14.7306 14.7306 20.2342 20.2342 21.5018 21.5018 k = 0.0290 0.0290-0.0000 ( 2755 PWs) bands (ev): -64.4786 -64.4786 -34.2198 -34.2198 -33.0128 -33.0128 -33.0126 -33.0126 5.8521 5.8521 8.3733 8.3733 8.3770 8.3770 10.3500 10.3500 10.3545 10.3545 11.0596 11.0596 13.7063 13.7063 13.7162 13.7162 14.5361 14.5361 14.5573 14.5573 14.7382 14.7382 20.2428 20.2428 21.5496 21.5496 k = 0.0217 0.0217-0.0000 ( 2755 PWs) bands (ev): -64.4786 -64.4786 -34.2197 -34.2197 -33.0127 -33.0127 -33.0126 -33.0126 5.8395 5.8395 8.3697 8.3697 8.3718 8.3718 10.3513 10.3513 10.3541 10.3541 11.0606 11.0606 13.7097 13.7097 13.7159 13.7159 14.5491 14.5491 14.5618 14.5618 14.7464 14.7464 20.2486 20.2486 21.5879 21.5879 k = 0.0145 0.0145-0.0000 ( 2759 PWs) bands (ev): -64.4793 -64.4793 -34.2197 -34.2197 -33.0126 -33.0126 -33.0126 -33.0126 5.8304 5.8304 8.3670 8.3670 8.3680 8.3680 10.3521 10.3521 10.3535 10.3535 11.0611 11.0611 13.7097 13.7097 13.7149 13.7149 14.5567 14.5567 14.5611 14.5611 14.7499 14.7499 20.2523 20.2523 21.6160 21.6160 k = 0.0072 0.0072-0.0000 ( 2771 PWs) bands (ev): -64.4815 -64.4815 -34.2197 -34.2197 -33.0127 -33.0127 -33.0126 -33.0126 5.8248 5.8248 8.3654 8.3654 8.3655 8.3655 10.3521 10.3521 10.3527 10.3527 11.0607 11.0607 13.7077 13.7077 13.7088 13.7088 14.5516 14.5516 14.5566 14.5566 14.7457 14.7457 20.2543 20.2543 21.6330 21.6330 k = 0.0000 0.0000 0.0000 ( 2777 PWs) bands (ev): -64.4825 -64.4825 -34.2197 -34.2197 -33.0127 -33.0127 -33.0127 -33.0127 5.8230 5.8230 8.3647 8.3647 8.3647 8.3647 10.3521 10.3521 10.3521 10.3521 11.0604 11.0604 13.7069 13.7069 13.7069 13.7069 14.5505 14.5505 14.5505 14.5505 14.7423 14.7423 20.2549 20.2549 21.6388 21.6388 k = 0.0000 0.0000 0.0000 ( 2777 PWs) bands (ev): -64.4825 -64.4825 -34.2197 -34.2197 -33.0127 -33.0127 -33.0127 -33.0127 5.8230 5.8230 8.3647 8.3647 8.3647 8.3647 10.3521 10.3521 10.3521 10.3521 11.0604 11.0604 13.7069 13.7069 13.7069 13.7069 14.5505 14.5505 14.5505 14.5505 14.7423 14.7423 20.2549 20.2549 21.6388 21.6388 k = 0.0059 0.0059 0.0059 ( 2764 PWs) bands (ev): -64.4802 -64.4802 -34.2197 -34.2197 -33.0126 -33.0126 -33.0126 -33.0126 5.8249 5.8249 8.3656 8.3656 8.3656 8.3656 10.3523 10.3523 10.3531 10.3531 11.0612 11.0612 13.7109 13.7109 13.7119 13.7119 14.5579 14.5579 14.5598 14.5598 14.7502 14.7502 20.2543 20.2543 21.6356 21.6356 k = 0.0118 0.0118 0.0118 ( 2764 PWs) bands (ev): -64.4802 -64.4802 -34.2197 -34.2197 -33.0127 -33.0127 -33.0126 -33.0126 5.8303 5.8303 8.3672 8.3672 8.3676 8.3676 10.3519 10.3519 10.3532 10.3532 11.0607 11.0607 13.7104 13.7104 13.7110 13.7110 14.5537 14.5537 14.5566 14.5566 14.7463 14.7463 20.2525 20.2525 21.6261 21.6261 k = 0.0176 0.0176 0.0176 ( 2761 PWs) bands (ev): -64.4797 -64.4797 -34.2198 -34.2198 -33.0127 -33.0127 -33.0126 -33.0126 5.8392 5.8392 8.3701 8.3701 8.3711 8.3711 10.3514 10.3514 10.3533 10.3533 11.0603 11.0603 13.7095 13.7095 13.7098 13.7098 14.5454 14.5454 14.5584 14.5584 14.7431 14.7431 20.2494 20.2494 21.6105 21.6105 k = 0.0235 0.0235 0.0235 ( 2755 PWs) bands (ev): -64.4786 -64.4786 -34.2198 -34.2198 -33.0127 -33.0127 -33.0127 -33.0127 5.8518 5.8518 8.3741 8.3741 8.3760 8.3760 10.3509 10.3509 10.3536 10.3536 11.0596 11.0596 13.7097 13.7097 13.7116 13.7116 14.5347 14.5347 14.5602 14.5602 14.7391 14.7391 20.2452 20.2452 21.5893 21.5893 k = 0.0294 0.0294 0.0294 ( 2755 PWs) bands (ev): -64.4786 -64.4786 -34.2199 -34.2199 -33.0128 -33.0128 -33.0128 -33.0128 5.8678 5.8678 8.3791 8.3791 8.3821 8.3821 10.3496 10.3496 10.3536 10.3536 11.0583 11.0583 13.7071 13.7071 13.7105 13.7105 14.5160 14.5160 14.5565 14.5565 14.7293 14.7293 20.2397 20.2397 21.5627 21.5627 k = 0.0353 0.0353 0.0353 ( 2758 PWs) bands (ev): -64.4791 -64.4791 -34.2199 -34.2199 -33.0129 -33.0129 -33.0128 -33.0128 5.8873 5.8873 8.3851 8.3851 8.3895 8.3895 10.3480 10.3480 10.3532 10.3532 11.0564 11.0564 13.7034 13.7034 13.7086 13.7086 14.4883 14.4883 14.5512 14.5512 14.7164 14.7164 20.2331 20.2331 21.5313 21.5313 k = 0.0412 0.0412 0.0412 ( 2752 PWs) bands (ev): -64.4780 -64.4780 -34.2200 -34.2200 -33.0129 -33.0129 -33.0129 -33.0129 5.9105 5.9105 8.3924 8.3924 8.3984 8.3984 10.3463 10.3463 10.3533 10.3533 11.0548 11.0548 13.7018 13.7018 13.7089 13.7089 14.4712 14.4712 14.5465 14.5465 14.7069 14.7069 20.2255 20.2255 21.4961 21.4961 k = 0.0471 0.0471 0.0471 ( 2743 PWs) bands (ev): -64.4764 -64.4764 -34.2201 -34.2201 -33.0130 -33.0130 -33.0130 -33.0130 5.9372 5.9372 8.4009 8.4009 8.4088 8.4088 10.3443 10.3443 10.3532 10.3532 11.0529 11.0529 13.7047 13.7047 13.7134 13.7134 14.4472 14.4472 14.5419 14.5419 14.6962 14.6962 20.2169 20.2169 21.4573 21.4573 k = 0.0529 0.0529 0.0529 ( 2743 PWs) bands (ev): -64.4764 -64.4764 -34.2202 -34.2202 -33.0132 -33.0132 -33.0132 -33.0132 5.9672 5.9672 8.4101 8.4101 8.4202 8.4202 10.3420 10.3420 10.3522 10.3522 11.0502 11.0502 13.7003 13.7003 13.7116 13.7116 14.4121 14.4121 14.5351 14.5351 14.6820 14.6820 20.2071 20.2071 21.4154 21.4154 k = 0.0588 0.0588 0.0588 ( 2731 PWs) bands (ev): -64.4742 -64.4742 -34.2203 -34.2203 -33.0133 -33.0133 -33.0132 -33.0132 6.0008 6.0008 8.4206 8.4206 8.4331 8.4331 10.3399 10.3399 10.3512 10.3512 11.0478 11.0478 13.7027 13.7027 13.7170 13.7170 14.3787 14.3787 14.5345 14.5345 14.6735 14.6735 20.1965 20.1965 21.3712 21.3712 k = 0.0647 0.0647 0.0647 ( 2737 PWs) bands (ev): -64.4753 -64.4753 -34.2205 -34.2205 -33.0135 -33.0135 -33.0134 -33.0134 6.0376 6.0376 8.4317 8.4317 8.4469 8.4469 10.3371 10.3371 10.3487 10.3487 11.0439 11.0439 13.6974 13.6974 13.7147 13.7147 14.3227 14.3227 14.5260 14.5260 14.6566 14.6566 20.1842 20.1842 21.3240 21.3240 k = 0.0706 0.0706 0.0706 ( 2731 PWs) bands (ev): -64.4742 -64.4742 -34.2206 -34.2206 -33.0137 -33.0137 -33.0135 -33.0135 6.0779 6.0779 8.4437 8.4437 8.4620 8.4620 10.3342 10.3342 10.3463 10.3463 11.0404 11.0404 13.6943 13.6943 13.7145 13.7145 14.2792 14.2792 14.5236 14.5236 14.6470 14.6470 20.1714 20.1714 21.2761 21.2761 k = 0.0765 0.0765 0.0765 ( 2737 PWs) bands (ev): -64.4753 -64.4753 -34.2208 -34.2208 -33.0139 -33.0139 -33.0137 -33.0137 6.1214 6.1214 8.4564 8.4564 8.4781 8.4781 10.3308 10.3308 10.3425 10.3425 11.0359 11.0359 13.6846 13.6846 13.7087 13.7087 14.2277 14.2277 14.5132 14.5132 14.6293 14.6293 20.1572 20.1572 21.2264 21.2264 k = 0.0824 0.0824 0.0824 ( 2734 PWs) bands (ev): -64.4747 -64.4747 -34.2210 -34.2210 -33.0141 -33.0141 -33.0139 -33.0139 6.1682 6.1682 8.4701 8.4701 8.4954 8.4954 10.3272 10.3272 10.3384 10.3384 11.0311 11.0311 13.6802 13.6802 13.7077 13.7077 14.1845 14.1845 14.5043 14.5043 14.6139 14.6139 20.1427 20.1427 21.1766 21.1766 k = 0.0882 0.0882 0.0882 ( 2734 PWs) bands (ev): -64.4747 -64.4747 -34.2212 -34.2212 -33.0144 -33.0144 -33.0141 -33.0141 6.2183 6.2183 8.4844 8.4844 8.5138 8.5138 10.3235 10.3235 10.3332 10.3332 11.0255 11.0255 13.6749 13.6749 13.7062 13.7062 14.1371 14.1371 14.4933 14.4933 14.5961 14.5961 20.1272 20.1272 21.1261 21.1261 k = 0.0941 0.0941 0.0941 ( 2722 PWs) bands (ev): -64.4725 -64.4725 -34.2213 -34.2213 -33.0146 -33.0146 -33.0143 -33.0143 6.2716 6.2716 8.4998 8.4998 8.5335 8.5335 10.3201 10.3201 10.3274 10.3274 11.0194 11.0194 13.6765 13.6765 13.7117 13.7117 14.0924 14.0924 14.4903 14.4903 14.5857 14.5857 20.1114 20.1114 21.0758 21.0758 k = 0.1000 0.1000 0.1000 ( 2713 PWs) bands (ev): -64.4709 -64.4709 -34.2215 -34.2215 -33.0148 -33.0148 -33.0145 -33.0145 6.3281 6.3281 8.5157 8.5157 8.5540 8.5540 10.3162 10.3162 10.3207 10.3207 11.0123 11.0123 13.6773 13.6773 13.7155 13.7155 14.0493 14.0493 14.4829 14.4829 14.5719 14.5719 20.0948 20.0948 21.0256 21.0256 k = 0.1059 0.1059 0.1059 ( 2719 PWs) bands (ev): -64.4720 -64.4720 -34.2218 -34.2218 -33.0151 -33.0151 -33.0147 -33.0147 6.3873 6.3873 8.5319 8.5319 8.5752 8.5752 10.3119 10.3119 10.3122 10.3122 11.0035 11.0035 13.6705 13.6705 13.7131 13.7131 13.9954 13.9954 14.4685 14.4685 14.5501 14.5501 20.0763 20.0763 20.9740 20.9740 k = 0.1118 0.1118 0.1118 ( 2725 PWs) bands (ev): -64.4731 -64.4731 -34.2220 -34.2220 -33.0154 -33.0154 -33.0150 -33.0150 6.4496 6.4496 8.5484 8.5484 8.5972 8.5972 10.3025 10.3025 10.3073 10.3073 10.9935 10.9935 13.6618 13.6618 13.7087 13.7087 13.9528 13.9528 14.4513 14.4513 14.5258 14.5258 20.0576 20.0576 20.9234 20.9234 k = 0.1176 0.1176 0.1176 ( 2725 PWs) bands (ev): -64.4731 -64.4731 -34.2223 -34.2223 -33.0157 -33.0157 -33.0153 -33.0153 6.5149 6.5149 8.5656 8.5656 8.6202 8.6202 10.2920 10.2920 10.3029 10.3029 10.9823 10.9823 13.6577 13.6577 13.7083 13.7083 13.9132 13.9132 14.4375 14.4375 14.5050 14.5050 20.0385 20.0385 20.8734 20.8734 k = 0.1235 0.1235 0.1235 ( 2725 PWs) bands (ev): -64.4731 -64.4731 -34.2225 -34.2225 -33.0160 -33.0160 -33.0156 -33.0156 6.5829 6.5829 8.5830 8.5830 8.6438 8.6438 10.2805 10.2805 10.2985 10.2985 10.9694 10.9694 13.6540 13.6540 13.7082 13.7082 13.8772 13.8772 14.4233 14.4233 14.4837 14.4837 20.0188 20.0188 20.8238 20.8238 k = 0.1294 0.1294 0.1294 ( 2719 PWs) bands (ev): -64.4720 -64.4720 -34.2228 -34.2228 -33.0163 -33.0163 -33.0159 -33.0159 6.6539 6.6539 8.6009 8.6009 8.6682 8.6682 10.2682 10.2682 10.2943 10.2943 10.9549 10.9549 13.6540 13.6540 13.7107 13.7107 13.8498 13.8498 14.4114 14.4114 14.4651 14.4651 19.9991 19.9991 20.7756 20.7756 k = 0.1353 0.1353 0.1353 ( 2713 PWs) bands (ev): -64.4709 -64.4709 -34.2230 -34.2230 -33.0166 -33.0166 -33.0162 -33.0162 6.7274 6.7274 8.6189 8.6189 8.6932 8.6932 10.2548 10.2548 10.2904 10.2904 10.9383 10.9383 13.6566 13.6566 13.7161 13.7161 13.8254 13.8254 14.3977 14.3977 14.4438 14.4438 19.9790 19.9790 20.7278 20.7278 k = 0.1412 0.1412 0.1412 ( 2725 PWs) bands (ev): -64.4730 -64.4730 -34.2234 -34.2234 -33.0170 -33.0170 -33.0165 -33.0165 6.8033 6.8033 8.6366 8.6366 8.7183 8.7183 10.2401 10.2401 10.2856 10.2856 10.9192 10.9192 13.6502 13.6502 13.7113 13.7113 13.8023 13.8023 14.3711 14.3711 14.4106 14.4106 19.9571 19.9571 20.6797 20.6797 k = 0.1471 0.1471 0.1471 ( 2731 PWs) bands (ev): -64.4740 -64.4740 -34.2237 -34.2237 -33.0174 -33.0174 -33.0169 -33.0169 6.8816 6.8816 8.6543 8.6543 8.7439 8.7439 10.2248 10.2248 10.2816 10.2816 10.8982 10.8982 13.6473 13.6473 13.7091 13.7091 13.7871 13.7871 14.3485 14.3485 14.3807 14.3807 19.9351 19.9351 20.6326 20.6326 k = 0.1529 0.1529 0.1529 ( 2731 PWs) bands (ev): -64.4740 -64.4740 -34.2240 -34.2240 -33.0177 -33.0177 -33.0172 -33.0172 6.9623 6.9623 8.6719 8.6719 8.7698 8.7698 10.2092 10.2092 10.2781 10.2781 10.8753 10.8753 13.6466 13.6466 13.7071 13.7071 13.7787 13.7787 14.3326 14.3326 14.3579 14.3579 19.9130 19.9130 20.5864 20.5864 k = 0.1588 0.1588 0.1588 ( 2731 PWs) bands (ev): -64.4739 -64.4739 -34.2243 -34.2243 -33.0181 -33.0181 -33.0176 -33.0176 7.0451 7.0451 8.6893 8.6893 8.7959 8.7959 10.1933 10.1933 10.2751 10.2751 10.8503 10.8503 13.6466 13.6466 13.7052 13.7052 13.7763 13.7763 14.3165 14.3165 14.3351 14.3351 19.8905 19.8905 20.5411 20.5411 k = 0.1647 0.1647 0.1647 ( 2731 PWs) bands (ev): -64.4739 -64.4739 -34.2246 -34.2246 -33.0185 -33.0185 -33.0179 -33.0179 7.1300 7.1300 8.7063 8.7063 8.8219 8.8219 10.1772 10.1772 10.2727 10.2727 10.8233 10.8233 13.6473 13.6473 13.7041 13.7041 13.7793 13.7793 14.3003 14.3003 14.3124 14.3124 19.8676 19.8676 20.4966 20.4966 k = 0.1706 0.1706 0.1706 ( 2731 PWs) bands (ev): -64.4738 -64.4738 -34.2249 -34.2249 -33.0188 -33.0188 -33.0183 -33.0183 7.2167 7.2167 8.7228 8.7228 8.8479 8.8479 10.1612 10.1612 10.2708 10.2708 10.7943 10.7943 13.6487 13.6487 13.7046 13.7046 13.7868 13.7868 14.2840 14.2840 14.2899 14.2899 19.8445 19.8445 20.4530 20.4530 k = 0.1765 0.1765 0.1765 ( 2731 PWs) bands (ev): -64.4737 -64.4737 -34.2252 -34.2252 -33.0192 -33.0192 -33.0187 -33.0187 7.3050 7.3050 8.7387 8.7387 8.8737 8.8737 10.1455 10.1455 10.2697 10.2697 10.7635 10.7635 13.6507 13.6507 13.7065 13.7065 13.7989 13.7989 14.2678 14.2678 14.2679 14.2679 19.8212 19.8212 20.4103 20.4103 k = 0.1824 0.1824 0.1824 ( 2725 PWs) bands (ev): -64.4725 -64.4725 -34.2255 -34.2255 -33.0195 -33.0195 -33.0190 -33.0190 7.3950 7.3950 8.7539 8.7539 8.8991 8.8991 10.1303 10.1303 10.2695 10.2695 10.7314 10.7314 13.6538 13.6538 13.7119 13.7119 13.8261 13.8261 14.2477 14.2477 14.2526 14.2526 19.7992 19.7992 20.3704 20.3704 k = 0.1882 0.1882 0.1882 ( 2725 PWs) bands (ev): -64.4725 -64.4725 -34.2259 -34.2259 -33.0199 -33.0199 -33.0194 -33.0194 7.4859 7.4859 8.7682 8.7682 8.9242 8.9242 10.1159 10.1159 10.2701 10.2701 10.6979 10.6979 13.6569 13.6569 13.7150 13.7150 13.8480 13.8480 14.2271 14.2271 14.2367 14.2367 19.7755 19.7755 20.3296 20.3296 k = 0.1941 0.1941 0.1941 ( 2719 PWs) bands (ev): -64.4713 -64.4713 -34.2262 -34.2262 -33.0203 -33.0203 -33.0198 -33.0198 7.5776 7.5776 8.7817 8.7817 8.9490 8.9490 10.1029 10.1029 10.2721 10.2721 10.6635 10.6635 13.6649 13.6649 13.7214 13.7214 13.8755 13.8755 14.2114 14.2114 14.2243 14.2243 19.7523 19.7523 20.2902 20.2902 k = 0.2000 0.2000 0.2000 ( 2731 PWs) bands (ev): -64.4733 -64.4733 -34.2266 -34.2266 -33.0207 -33.0207 -33.0202 -33.0202 7.6695 7.6695 8.7940 8.7940 8.9730 8.9730 10.0907 10.0907 10.2744 10.2744 10.6277 10.6277 13.6666 13.6666 13.7201 13.7201 13.8950 13.8950 14.1875 14.1875 14.2024 14.2024 19.7261 19.7261 20.2487 20.2487 k = 0.2059 0.2059 0.2059 ( 2725 PWs) bands (ev): -64.4721 -64.4721 -34.2269 -34.2269 -33.0211 -33.0211 -33.0206 -33.0206 7.7617 7.7617 8.8052 8.8052 8.9969 8.9969 10.0804 10.0804 10.2788 10.2788 10.5923 10.5923 13.6757 13.6757 13.7259 13.7259 13.9342 13.9342 14.1731 14.1731 14.1893 14.1893 19.7033 19.7033 20.2113 20.2113 k = 0.2118 0.2118 0.2118 ( 2731 PWs) bands (ev): -64.4731 -64.4731 -34.2273 -34.2273 -33.0215 -33.0215 -33.0210 -33.0210 7.8533 7.8533 8.8150 8.8150 9.0204 9.0204 10.0713 10.0713 10.2841 10.2841 10.5566 10.5566 13.6764 13.6764 13.7229 13.7229 13.9750 13.9750 14.1544 14.1544 14.1714 14.1714 19.6789 19.6789 20.1736 20.1736 k = 0.2176 0.2176 0.2176 ( 2731 PWs) bands (ev): -64.4730 -64.4730 -34.2276 -34.2276 -33.0219 -33.0219 -33.0214 -33.0214 7.9437 7.9437 8.8236 8.8236 9.0441 9.0441 10.0645 10.0645 10.2910 10.2910 10.5218 10.5218 13.6792 13.6792 13.7194 13.7194 14.0218 14.0218 14.1444 14.1444 14.1589 14.1589 19.6553 19.6553 20.1376 20.1376 k = 0.2235 0.2235 0.2235 ( 2731 PWs) bands (ev): -64.4729 -64.4729 -34.2280 -34.2280 -33.0223 -33.0223 -33.0218 -33.0218 8.0323 8.0323 8.8308 8.8308 9.0683 9.0683 10.0595 10.0595 10.2994 10.2994 10.4879 10.4879 13.6813 13.6813 13.7133 13.7133 14.0702 14.0702 14.1407 14.1407 14.1479 14.1479 19.6318 19.6318 20.1027 20.1027 k = 0.2294 0.2294 0.2294 ( 2731 PWs) bands (ev): -64.4728 -64.4728 -34.2283 -34.2283 -33.0227 -33.0227 -33.0222 -33.0222 8.1178 8.1178 8.8366 8.8366 9.0938 9.0938 10.0562 10.0562 10.3093 10.3093 10.4558 10.4558 13.6823 13.6823 13.7044 13.7044 14.1050 14.1050 14.1385 14.1385 14.1583 14.1583 19.6087 19.6087 20.0687 20.0687 k = 0.2353 0.2353 0.2353 ( 2731 PWs) bands (ev): -64.4727 -64.4727 -34.2287 -34.2287 -33.0231 -33.0231 -33.0226 -33.0226 8.1994 8.1994 8.8409 8.8409 9.1216 9.1216 10.0543 10.0543 10.3208 10.3208 10.4263 10.4263 13.6809 13.6809 13.6922 13.6922 14.1119 14.1119 14.1294 14.1294 14.2136 14.2136 19.5863 19.5863 20.0364 20.0364 k = 0.2412 0.2412 0.2412 ( 2725 PWs) bands (ev): -64.4715 -64.4715 -34.2290 -34.2290 -33.0235 -33.0235 -33.0230 -33.0230 8.2753 8.2753 8.8439 8.8439 9.1528 9.1528 10.0533 10.0533 10.3344 10.3344 10.4004 10.4004 13.6824 13.6824 13.6835 13.6835 14.1153 14.1153 14.1249 14.1249 14.2813 14.2813 19.5651 19.5651 20.0055 20.0055 k = 0.2471 0.2471 0.2471 ( 2725 PWs) bands (ev): -64.4714 -64.4714 -34.2294 -34.2294 -33.0239 -33.0239 -33.0234 -33.0234 8.3444 8.3444 8.8454 8.8454 9.1883 9.1883 10.0524 10.0524 10.3492 10.3492 10.3785 10.3785 13.6649 13.6649 13.6793 13.6793 14.1193 14.1193 14.1219 14.1219 14.3513 14.3513 19.5431 19.5431 19.9748 19.9748 k = 0.2529 0.2529 0.2529 ( 2725 PWs) bands (ev): -64.4713 -64.4713 -34.2297 -34.2297 -33.0243 -33.0243 -33.0239 -33.0239 8.4053 8.4053 8.8454 8.8454 9.2297 9.2297 10.0504 10.0504 10.3627 10.3627 10.3657 10.3657 13.6448 13.6448 13.6723 13.6723 14.1201 14.1201 14.1238 14.1238 14.4288 14.4288 19.5219 19.5219 19.9457 19.9457 k = 0.2588 0.2588 0.2588 ( 2725 PWs) bands (ev): -64.4712 -64.4712 -34.2301 -34.2301 -33.0247 -33.0247 -33.0243 -33.0243 8.4570 8.4570 8.8441 8.8441 9.2772 9.2772 10.0468 10.0468 10.3535 10.3535 10.3839 10.3839 13.6224 13.6224 13.6634 13.6634 14.1223 14.1223 14.1320 14.1320 14.5071 14.5071 19.5009 19.5009 19.9173 19.9173 k = 0.2647 0.2647 0.2647 ( 2725 PWs) bands (ev): -64.4711 -64.4711 -34.2304 -34.2304 -33.0250 -33.0250 -33.0247 -33.0247 8.4990 8.4990 8.8415 8.8415 9.3312 9.3312 10.0411 10.0411 10.3520 10.3520 10.4037 10.4037 13.5980 13.5980 13.6519 13.6519 14.1272 14.1272 14.1423 14.1423 14.5891 14.5891 19.4805 19.4805 19.8902 19.8902 k = 0.2706 0.2706 0.2706 ( 2725 PWs) bands (ev): -64.4710 -64.4710 -34.2308 -34.2308 -33.0255 -33.0255 -33.0251 -33.0251 8.5316 8.5316 8.8376 8.8376 9.3903 9.3903 10.0338 10.0338 10.3577 10.3577 10.4250 10.4250 13.5718 13.5718 13.6389 13.6389 14.1381 14.1381 14.1586 14.1586 14.6670 14.6670 19.4599 19.4599 19.8634 19.8634 k = 0.2765 0.2765 0.2765 ( 2731 PWs) bands (ev): -64.4719 -64.4719 -34.2312 -34.2312 -33.0259 -33.0259 -33.0255 -33.0255 8.5556 8.5556 8.8326 8.8326 9.4532 9.4532 10.0261 10.0261 10.3711 10.3711 10.4475 10.4475 13.5392 13.5392 13.6172 13.6172 14.1479 14.1479 14.1719 14.1719 14.7517 14.7517 19.4390 19.4390 19.8379 19.8379 k = 0.2824 0.2824 0.2824 ( 2737 PWs) bands (ev): -64.4729 -64.4729 -34.2315 -34.2315 -33.0263 -33.0263 -33.0260 -33.0260 8.5721 8.5721 8.8263 8.8263 9.5168 9.5168 10.0204 10.0204 10.3918 10.3918 10.4716 10.4716 13.5080 13.5080 13.5967 13.5967 14.1538 14.1538 14.1807 14.1807 14.8431 14.8431 19.4196 19.4196 19.8143 19.8143 k = 0.2882 0.2882 0.2882 ( 2737 PWs) bands (ev): -64.4728 -64.4728 -34.2319 -34.2319 -33.0267 -33.0267 -33.0264 -33.0264 8.5825 8.5825 8.8191 8.8191 9.5771 9.5771 10.0207 10.0207 10.4187 10.4187 10.4973 10.4973 13.4774 13.4774 13.5756 13.5756 14.1678 14.1678 14.1965 14.1965 14.9379 14.9379 19.4012 19.4012 19.7930 19.7930 k = 0.2941 0.2941 0.2941 ( 2737 PWs) bands (ev): -64.4726 -64.4726 -34.2322 -34.2322 -33.0270 -33.0270 -33.0268 -33.0268 8.5880 8.5880 8.8110 8.8110 9.6285 9.6285 10.0315 10.0315 10.4510 10.4510 10.5245 10.5245 13.4458 13.4458 13.5526 13.5526 14.1834 14.1834 14.2131 14.2131 15.0356 15.0356 19.3833 19.3833 19.7734 19.7734 k = 0.3000 0.3000 0.3000 ( 2737 PWs) bands (ev): -64.4725 -64.4725 -34.2326 -34.2326 -33.0274 -33.0274 -33.0272 -33.0272 8.5897 8.5897 8.8021 8.8021 9.6659 9.6659 10.0573 10.0573 10.4883 10.4883 10.5529 10.5529 13.4132 13.4132 13.5279 13.5279 14.2003 14.2003 14.2304 14.2304 15.1361 15.1361 19.3657 19.3657 19.7558 19.7558 k = 0.3059 0.3059 0.3059 ( 2728 PWs) bands (ev): -64.4708 -64.4708 -34.2329 -34.2329 -33.0277 -33.0277 -33.0276 -33.0276 8.5887 8.5887 8.7926 8.7926 9.6872 9.6872 10.0999 10.0999 10.5312 10.5312 10.5830 10.5830 13.3840 13.3840 13.5048 13.5048 14.2243 14.2243 14.2529 14.2529 15.2433 15.2433 19.3497 19.3497 19.7417 19.7417 k = 0.3118 0.3118 0.3118 ( 2728 PWs) bands (ev): -64.4706 -64.4706 -34.2332 -34.2332 -33.0281 -33.0281 -33.0279 -33.0279 8.5854 8.5854 8.7824 8.7824 9.6937 9.6937 10.1557 10.1557 10.5781 10.5781 10.6137 10.6137 13.3497 13.3497 13.4771 13.4771 14.2429 14.2429 14.2710 14.2710 15.3489 15.3489 19.3326 19.3326 19.7285 19.7285 k = 0.3176 0.3176 0.3176 ( 2725 PWs) bands (ev): -64.4700 -64.4700 -34.2336 -34.2336 -33.0284 -33.0284 -33.0283 -33.0283 8.5808 8.5808 8.7716 8.7716 9.6901 9.6901 10.2205 10.2205 10.6311 10.6311 10.6456 10.6456 13.3146 13.3146 13.4480 13.4480 14.2623 14.2623 14.2895 14.2895 15.4630 15.4630 19.3163 19.3163 19.7185 19.7185 k = 0.3235 0.3235 0.3235 ( 2713 PWs) bands (ev): -64.4677 -64.4677 -34.2339 -34.2339 -33.0287 -33.0287 -33.0287 -33.0287 8.5752 8.5752 8.7606 8.7606 9.6804 9.6804 10.2887 10.2887 10.6791 10.6791 10.6882 10.6882 13.2827 13.2827 13.4211 13.4211 14.2945 14.2945 14.3200 14.3200 15.5737 15.5737 19.3001 19.3001 19.7119 19.7119 k = 0.3294 0.3294 0.3294 ( 2719 PWs) bands (ev): -64.4686 -64.4686 -34.2342 -34.2342 -33.0291 -33.0291 -33.0290 -33.0290 8.5689 8.5689 8.7490 8.7490 9.6666 9.6666 10.3568 10.3568 10.7128 10.7128 10.7488 10.7488 13.2457 13.2457 13.3892 13.3892 14.3094 14.3094 14.3337 14.3337 15.6808 15.6808 19.2820 19.2820 19.7064 19.7064 k = 0.3353 0.3353 0.3353 ( 2719 PWs) bands (ev): -64.4685 -64.4685 -34.2345 -34.2345 -33.0295 -33.0295 -33.0294 -33.0294 8.5624 8.5624 8.7372 8.7372 9.6507 9.6507 10.4240 10.4240 10.7476 10.7476 10.8152 10.8152 13.2085 13.2085 13.3565 13.3565 14.3295 14.3295 14.3523 14.3523 15.7950 15.7950 19.2645 19.2645 19.7045 19.7045 k = 0.3412 0.3412 0.3412 ( 2713 PWs) bands (ev): -64.4673 -64.4673 -34.2348 -34.2348 -33.0298 -33.0298 -33.0297 -33.0297 8.5559 8.5559 8.7252 8.7252 9.6340 9.6340 10.4889 10.4889 10.7833 10.7833 10.8864 10.8864 13.1711 13.1711 13.3230 13.3230 14.3572 14.3572 14.3784 14.3784 15.9121 15.9121 19.2475 19.2475 19.7062 19.7062 k = 0.3471 0.3471 0.3471 ( 2716 PWs) bands (ev): -64.4677 -64.4677 -34.2351 -34.2351 -33.0301 -33.0301 -33.0301 -33.0301 8.5495 8.5495 8.7130 8.7130 9.6165 9.6165 10.5508 10.5508 10.8194 10.8194 10.9608 10.9608 13.1309 13.1309 13.2866 13.2866 14.3750 14.3750 14.3948 14.3948 16.0304 16.0304 19.2299 19.2299 19.7103 19.7103 k = 0.3529 0.3529 0.3529 ( 2719 PWs) bands (ev): -64.4681 -64.4681 -34.2354 -34.2354 -33.0305 -33.0305 -33.0304 -33.0304 8.5435 8.5435 8.7009 8.7009 9.5993 9.5993 10.6100 10.6100 10.8564 10.8564 11.0354 11.0354 13.0920 13.0920 13.2508 13.2508 14.3947 14.3947 14.4128 14.4128 16.1431 16.1431 19.2122 19.2122 19.7181 19.7181 k = 0.3588 0.3588 0.3588 ( 2719 PWs) bands (ev): -64.4680 -64.4680 -34.2357 -34.2357 -33.0308 -33.0308 -33.0308 -33.0308 8.5379 8.5379 8.6888 8.6888 9.5824 9.5824 10.6670 10.6670 10.8942 10.8942 11.1136 11.1136 13.0527 13.0527 13.2141 13.2141 14.4142 14.4142 14.4306 14.4306 16.2629 16.2629 19.1957 19.1957 19.7294 19.7294 k = 0.3647 0.3647 0.3647 ( 2719 PWs) bands (ev): -64.4678 -64.4678 -34.2360 -34.2360 -33.0311 -33.0311 -33.0311 -33.0311 8.5328 8.5328 8.6767 8.6767 9.5660 9.5660 10.7223 10.7223 10.9327 10.9327 11.1948 11.1948 13.0138 13.0138 13.1771 13.1771 14.4289 14.4289 14.4433 14.4433 16.3882 16.3882 19.1805 19.1805 19.7443 19.7443 k = 0.3706 0.3706 0.3706 ( 2719 PWs) bands (ev): -64.4677 -64.4677 -34.2363 -34.2363 -33.0314 -33.0314 -33.0314 -33.0314 8.5283 8.5283 8.6649 8.6649 9.5503 9.5503 10.7760 10.7760 10.9717 10.9717 11.2734 11.2734 12.9737 12.9737 13.1389 13.1389 14.4473 14.4473 14.4601 14.4601 16.5086 16.5086 19.1663 19.1663 19.7625 19.7625 k = 0.3765 0.3765 0.3765 ( 2713 PWs) bands (ev): -64.4666 -64.4666 -34.2365 -34.2365 -33.0317 -33.0317 -33.0316 -33.0316 8.5244 8.5244 8.6532 8.6532 9.5354 9.5354 10.8286 10.8286 11.0112 11.0112 11.3552 11.3552 12.9340 12.9340 13.1005 13.1005 14.4672 14.4672 14.4783 14.4783 16.6366 16.6366 19.1545 19.1545 19.7844 19.7844 k = 0.3824 0.3824 0.3824 ( 2716 PWs) bands (ev): -64.4670 -64.4670 -34.2368 -34.2368 -33.0320 -33.0320 -33.0319 -33.0319 8.5211 8.5211 8.6418 8.6418 9.5213 9.5213 10.8801 10.8801 11.0512 11.0512 11.4311 11.4311 12.8934 12.8934 13.0610 13.0610 14.4799 14.4799 14.4896 14.4896 16.7552 16.7552 19.1449 19.1449 19.8093 19.8093 k = 0.3882 0.3882 0.3882 ( 2728 PWs) bands (ev): -64.4691 -64.4691 -34.2371 -34.2371 -33.0324 -33.0324 -33.0322 -33.0322 8.5182 8.5182 8.6307 8.6307 9.5081 9.5081 10.9301 10.9301 11.0906 11.0906 11.5022 11.5022 12.8472 12.8472 13.0143 13.0143 14.4927 14.4927 14.5005 14.5005 16.8658 16.8658 19.1379 19.1379 19.8333 19.8333 k = 0.3941 0.3941 0.3941 ( 2728 PWs) bands (ev): -64.4689 -64.4689 -34.2373 -34.2373 -33.0326 -33.0326 -33.0325 -33.0325 8.5159 8.5159 8.6200 8.6200 9.4958 9.4958 10.9803 10.9803 11.1313 11.1313 11.5731 11.5731 12.8064 12.8064 12.9740 12.9740 14.5084 14.5084 14.5151 14.5151 16.9797 16.9797 19.1364 19.1364 19.8649 19.8649 k = 0.4000 0.4000 0.4000 ( 2734 PWs) bands (ev): -64.4699 -64.4699 -34.2376 -34.2376 -33.0329 -33.0329 -33.0328 -33.0328 8.5142 8.5142 8.6095 8.6095 9.4844 9.4844 11.0296 11.0296 11.1717 11.1717 11.6396 11.6396 12.7631 12.7631 12.9307 12.9307 14.5202 14.5202 14.5261 14.5261 17.0876 17.0876 19.1404 19.1404 19.8984 19.8984 k = 0.4059 0.4059 0.4059 ( 2728 PWs) bands (ev): -64.4687 -64.4687 -34.2378 -34.2378 -33.0331 -33.0331 -33.0330 -33.0330 8.5130 8.5130 8.5996 8.5996 9.4741 9.4741 11.0790 11.0790 11.2129 11.2129 11.7038 11.7038 12.7233 12.7233 12.8905 12.8905 14.5424 14.5424 14.5474 14.5474 17.1920 17.1920 19.1519 19.1519 19.9374 19.9374 k = 0.4118 0.4118 0.4118 ( 2734 PWs) bands (ev): -64.4697 -64.4697 -34.2380 -34.2380 -33.0334 -33.0334 -33.0333 -33.0333 8.5121 8.5121 8.5901 8.5901 9.4646 9.4646 11.1276 11.1276 11.2538 11.2538 11.7614 11.7614 12.6810 12.6810 12.8473 12.8473 14.5528 14.5528 14.5571 14.5571 17.2863 17.2863 19.1710 19.1710 19.9782 19.9782 k = 0.4176 0.4176 0.4176 ( 2734 PWs) bands (ev): -64.4696 -64.4696 -34.2382 -34.2382 -33.0336 -33.0336 -33.0335 -33.0335 8.5117 8.5117 8.5811 8.5811 9.4561 9.4561 11.1762 11.1762 11.2949 11.2949 11.8174 11.8174 12.6412 12.6412 12.8058 12.8058 14.5655 14.5655 14.5691 14.5691 17.3759 17.3759 19.1997 19.1997 20.0237 20.0237 k = 0.4235 0.4235 0.4235 ( 2737 PWs) bands (ev): -64.4700 -64.4700 -34.2384 -34.2384 -33.0338 -33.0338 -33.0337 -33.0337 8.5115 8.5115 8.5726 8.5726 9.4485 9.4485 11.2243 11.2243 11.3360 11.3360 11.8651 11.8651 12.6018 12.6018 12.7642 12.7642 14.5771 14.5771 14.5800 14.5800 17.4525 17.4525 19.2379 19.2379 20.0732 20.0732 k = 0.4294 0.4294 0.4294 ( 2734 PWs) bands (ev): -64.4694 -64.4694 -34.2386 -34.2386 -33.0340 -33.0340 -33.0339 -33.0339 8.5116 8.5116 8.5647 8.5647 9.4417 9.4417 11.2719 11.2719 11.3766 11.3766 11.9112 11.9112 12.5636 12.5636 12.7220 12.7220 14.5948 14.5948 14.5968 14.5968 17.5224 17.5224 19.2858 19.2858 20.1262 20.1262 k = 0.4353 0.4353 0.4353 ( 2728 PWs) bands (ev): -64.4682 -64.4682 -34.2387 -34.2387 -33.0341 -33.0341 -33.0340 -33.0340 8.5120 8.5120 8.5573 8.5573 9.4357 9.4357 11.3195 11.3195 11.4173 11.4173 11.9541 11.9541 12.5289 12.5289 12.6827 12.6827 14.6091 14.6091 14.6105 14.6105 17.5838 17.5838 19.3447 19.3447 20.1861 20.1861 k = 0.4412 0.4412 0.4412 ( 2728 PWs) bands (ev): -64.4681 -64.4681 -34.2388 -34.2388 -33.0343 -33.0343 -33.0342 -33.0342 8.5125 8.5125 8.5505 8.5505 9.4305 9.4305 11.3663 11.3663 11.4570 11.4570 11.9885 11.9885 12.4950 12.4950 12.6425 12.6425 14.6183 14.6183 14.6193 14.6193 17.6330 17.6330 19.4113 19.4113 20.2510 20.2510 k = 0.4471 0.4471 0.4471 ( 2728 PWs) bands (ev): -64.4680 -64.4680 -34.2390 -34.2390 -33.0344 -33.0344 -33.0343 -33.0343 8.5131 8.5131 8.5443 8.5443 9.4260 9.4260 11.4126 11.4126 11.4957 11.4957 12.0159 12.0159 12.4642 12.4642 12.6032 12.6032 14.6266 14.6266 14.6274 14.6274 17.6724 17.6724 19.4838 19.4838 20.3229 20.3229 k = 0.4529 0.4529 0.4529 ( 2728 PWs) bands (ev): -64.4679 -64.4679 -34.2391 -34.2391 -33.0346 -33.0346 -33.0344 -33.0344 8.5137 8.5137 8.5387 8.5387 9.4222 9.4222 11.4580 11.4580 11.5333 11.5333 12.0354 12.0354 12.4376 12.4376 12.5652 12.5652 14.6342 14.6342 14.6346 14.6346 17.7031 17.7031 19.5591 19.5591 20.4029 20.4029 k = 0.4588 0.4588 0.4588 ( 2728 PWs) bands (ev): -64.4678 -64.4678 -34.2392 -34.2392 -33.0347 -33.0347 -33.0346 -33.0346 8.5144 8.5144 8.5337 8.5337 9.4190 9.4190 11.5024 11.5024 11.5691 11.5691 12.0463 12.0463 12.4162 12.4162 12.5289 12.5289 14.6409 14.6409 14.6412 14.6412 17.7264 17.7264 19.6338 19.6338 20.4922 20.4922 k = 0.4647 0.4647 0.4647 ( 2728 PWs) bands (ev): -64.4677 -64.4677 -34.2393 -34.2393 -33.0348 -33.0348 -33.0347 -33.0347 8.5151 8.5151 8.5294 8.5294 9.4163 9.4163 11.5455 11.5455 11.6028 11.6028 12.0484 12.0484 12.4006 12.4006 12.4949 12.4949 14.6468 14.6468 14.6469 14.6469 17.7435 17.7435 19.7042 19.7042 20.5916 20.5916 k = 0.4706 0.4706 0.4706 ( 2734 PWs) bands (ev): -64.4687 -64.4687 -34.2394 -34.2394 -33.0349 -33.0349 -33.0348 -33.0348 8.5157 8.5157 8.5257 8.5257 9.4142 9.4142 11.5862 11.5862 11.6334 11.6334 12.0404 12.0404 12.3879 12.3879 12.4594 12.4594 14.6506 14.6506 14.6507 14.6507 17.7557 17.7557 19.7644 19.7644 20.6986 20.6986 k = 0.4765 0.4765 0.4765 ( 2758 PWs) bands (ev): -64.4728 -64.4728 -34.2395 -34.2395 -33.0351 -33.0351 -33.0349 -33.0349 8.5162 8.5162 8.5227 8.5227 9.4124 9.4124 11.6238 11.6238 11.6602 11.6602 12.0235 12.0235 12.3781 12.3781 12.4231 12.4231 14.6316 14.6316 14.6317 14.6317 17.7641 17.7641 19.8116 19.8116 20.8118 20.8118 k = 0.4824 0.4824 0.4824 ( 2782 PWs) bands (ev): -64.4770 -64.4770 -34.2397 -34.2397 -33.0353 -33.0353 -33.0351 -33.0351 8.5167 8.5167 8.5203 8.5203 9.4112 9.4112 11.6581 11.6581 11.6828 11.6828 12.0019 12.0019 12.3720 12.3720 12.3916 12.3916 14.6102 14.6102 14.6102 14.6102 17.7698 17.7698 19.8475 19.8475 20.9296 20.9296 k = 0.4882 0.4882 0.4882 ( 2800 PWs) bands (ev): -64.4802 -64.4802 -34.2398 -34.2398 -33.0353 -33.0353 -33.0353 -33.0353 8.5170 8.5170 8.5186 8.5186 9.4103 9.4103 11.6873 11.6873 11.7003 11.7003 11.9761 11.9761 12.3568 12.3568 12.3717 12.3717 14.6046 14.6046 14.6046 14.6046 17.7730 17.7730 19.8681 19.8681 21.0359 21.0359 k = 0.4941 0.4941 0.4941 ( 2800 PWs) bands (ev): -64.4802 -64.4802 -34.2398 -34.2398 -33.0354 -33.0354 -33.0354 -33.0354 8.5172 8.5172 8.5176 8.5176 9.4098 9.4098 11.7076 11.7076 11.7113 11.7113 11.9624 11.9624 12.3566 12.3566 12.3605 12.3605 14.6058 14.6058 14.6058 14.6058 17.7753 17.7753 19.8859 19.8859 21.1208 21.1209 k = 0.5000 0.5000 0.5000 ( 2800 PWs) bands (ev): -64.4802 -64.4802 -34.2398 -34.2398 -33.0354 -33.0354 -33.0354 -33.0354 8.5173 8.5173 8.5173 8.5173 9.4096 9.4096 11.7151 11.7151 11.7151 11.7151 11.9571 11.9571 12.3567 12.3567 12.3567 12.3567 14.6062 14.6062 14.6062 14.6062 17.7760 17.7760 19.8919 19.8919 21.1503 21.1503 k = 0.5000 0.5000 0.5000 ( 2800 PWs) bands (ev): -64.4802 -64.4802 -34.2398 -34.2398 -33.0354 -33.0354 -33.0354 -33.0354 8.5173 8.5173 8.5173 8.5173 9.4096 9.4096 11.7151 11.7151 11.7151 11.7151 11.9571 11.9571 12.3567 12.3567 12.3567 12.3567 14.6062 14.6062 14.6062 14.6062 17.7760 17.7760 19.8919 19.8919 21.1503 21.1503 k = 0.4928 0.5000 0.4928 ( 2800 PWs) bands (ev): -64.4802 -64.4802 -34.2398 -34.2398 -33.0354 -33.0354 -33.0354 -33.0354 8.5171 8.5171 8.5176 8.5176 9.4098 9.4098 11.7063 11.7063 11.7126 11.7126 11.9624 11.9624 12.3568 12.3568 12.3604 12.3604 14.6056 14.6056 14.6060 14.6060 17.7753 17.7753 19.8858 19.8858 21.1210 21.1210 k = 0.4855 0.5000 0.4855 ( 2800 PWs) bands (ev): -64.4802 -64.4802 -34.2398 -34.2398 -33.0354 -33.0354 -33.0353 -33.0353 8.5168 8.5168 8.5188 8.5188 9.4103 9.4103 11.6821 11.6821 11.7052 11.7052 11.9762 11.9762 12.3573 12.3573 12.3713 12.3713 14.6038 14.6038 14.6054 14.6054 17.7730 17.7730 19.8675 19.8675 21.0372 21.0372 k = 0.4783 0.5000 0.4783 ( 2772 PWs) bands (ev): -64.4752 -64.4752 -34.2396 -34.2396 -33.0353 -33.0353 -33.0350 -33.0350 8.5162 8.5162 8.5208 8.5208 9.4112 9.4112 11.6475 11.6475 11.6932 11.6932 12.0030 12.0030 12.3723 12.3723 12.3947 12.3947 14.6170 14.6170 14.6296 14.6296 17.7696 17.7696 19.8471 19.8471 20.9294 20.9294 k = 0.4710 0.5000 0.4710 ( 2752 PWs) bands (ev): -64.4718 -64.4718 -34.2395 -34.2395 -33.0352 -33.0352 -33.0349 -33.0349 8.5154 8.5154 8.5235 8.5235 9.4125 9.4125 11.6062 11.6062 11.6769 11.6769 12.0276 12.0276 12.3817 12.3817 12.4220 12.4220 14.6246 14.6246 14.6471 14.6471 17.7650 17.7650 19.8090 19.8090 20.8051 20.8052 k = 0.4638 0.5000 0.4638 ( 2748 PWs) bands (ev): -64.4712 -64.4712 -34.2394 -34.2394 -33.0351 -33.0351 -33.0347 -33.0347 8.5143 8.5143 8.5270 8.5270 9.4142 9.4142 11.5599 11.5599 11.6558 11.6558 12.0474 12.0474 12.3847 12.3847 12.4508 12.4508 14.6276 14.6276 14.6410 14.6410 17.7581 17.7581 19.7516 19.7516 20.6746 20.6746 k = 0.4565 0.5000 0.4565 ( 2740 PWs) bands (ev): -64.4699 -64.4699 -34.2393 -34.2393 -33.0350 -33.0350 -33.0346 -33.0346 8.5130 8.5130 8.5313 8.5313 9.4164 9.4164 11.5112 11.5112 11.6302 11.6302 12.0665 12.0665 12.3877 12.3877 12.4889 12.4889 14.6259 14.6259 14.6410 14.6410 17.7485 17.7485 19.6815 19.6815 20.5478 20.5478 k = 0.4493 0.5000 0.4493 ( 2732 PWs) bands (ev): -64.4685 -64.4685 -34.2392 -34.2392 -33.0349 -33.0349 -33.0344 -33.0344 8.5115 8.5115 8.5363 8.5363 9.4191 9.4191 11.4605 11.4605 11.6000 11.6000 12.0841 12.0841 12.3917 12.3917 12.5300 12.5300 14.6262 14.6262 14.6373 14.6373 17.7356 17.7356 19.5981 19.5981 20.4282 20.4282 k = 0.4420 0.5000 0.4420 ( 2732 PWs) bands (ev): -64.4686 -64.4686 -34.2391 -34.2391 -33.0349 -33.0349 -33.0342 -33.0342 8.5098 8.5098 8.5420 8.5420 9.4224 9.4224 11.4074 11.4074 11.5653 11.5653 12.0981 12.0981 12.3940 12.3940 12.5686 12.5686 14.6228 14.6228 14.6275 14.6275 17.7184 17.7184 19.4991 19.4991 20.3172 20.3173 k = 0.4348 0.5000 0.4348 ( 2728 PWs) bands (ev): -64.4680 -64.4680 -34.2390 -34.2390 -33.0348 -33.0348 -33.0339 -33.0339 8.5079 8.5079 8.5485 8.5485 9.4264 9.4264 11.3540 11.3540 11.5265 11.5265 12.1120 12.1120 12.3985 12.3985 12.6125 12.6125 14.6181 14.6181 14.6192 14.6192 17.6966 17.6966 19.3906 19.3906 20.2196 20.2196 k = 0.4275 0.5000 0.4275 ( 2732 PWs) bands (ev): -64.4688 -64.4688 -34.2389 -34.2389 -33.0348 -33.0348 -33.0337 -33.0337 8.5058 8.5058 8.5556 8.5556 9.4310 9.4310 11.2992 11.2992 11.4835 11.4835 12.1224 12.1224 12.3999 12.3999 12.6537 12.6537 14.6038 14.6038 14.6114 14.6114 17.6694 17.6694 19.2689 19.2689 20.1352 20.1352 k = 0.4203 0.5000 0.4203 ( 2732 PWs) bands (ev): -64.4689 -64.4689 -34.2387 -34.2387 -33.0347 -33.0347 -33.0335 -33.0335 8.5036 8.5036 8.5634 8.5634 9.4363 9.4363 11.2440 11.2440 11.4367 11.4367 12.1333 12.1333 12.4046 12.4046 12.6958 12.6958 14.5905 14.5905 14.6069 14.6069 17.6363 17.6363 19.1410 19.1410 20.0657 20.0657 k = 0.4130 0.5000 0.4130 ( 2736 PWs) bands (ev): -64.4697 -64.4697 -34.2386 -34.2386 -33.0346 -33.0346 -33.0332 -33.0332 8.5012 8.5012 8.5718 8.5718 9.4425 9.4425 11.1886 11.1886 11.3862 11.3862 12.1431 12.1431 12.4098 12.4098 12.7379 12.7379 14.5678 14.5678 14.5991 14.5991 17.5967 17.5967 19.0069 19.0069 20.0109 20.0109 k = 0.4058 0.5000 0.4058 ( 2728 PWs) bands (ev): -64.4684 -64.4684 -34.2384 -34.2384 -33.0345 -33.0345 -33.0329 -33.0329 8.4988 8.4988 8.5808 8.5808 9.4495 9.4495 11.1337 11.1337 11.3327 11.3327 12.1537 12.1537 12.4186 12.4186 12.7829 12.7829 14.5530 14.5530 14.6063 14.6063 17.5514 17.5514 18.8711 18.8711 19.9712 19.9712 k = 0.3986 0.5000 0.3986 ( 2724 PWs) bands (ev): -64.4678 -64.4678 -34.2382 -34.2382 -33.0344 -33.0344 -33.0325 -33.0325 8.4964 8.4964 8.5904 8.5904 9.4575 9.4575 11.0784 11.0784 11.2759 11.2759 12.1636 12.1636 12.4293 12.4293 12.8248 12.8248 14.5363 14.5363 14.6048 14.6048 17.4992 17.4992 18.7319 18.7319 19.9450 19.9450 k = 0.3913 0.5000 0.3913 ( 2726 PWs) bands (ev): -64.4682 -64.4682 -34.2380 -34.2380 -33.0344 -33.0344 -33.0322 -33.0322 8.4939 8.4939 8.6006 8.6006 9.4663 9.4663 11.0229 11.0229 11.2162 11.2162 12.1716 12.1716 12.4380 12.4380 12.8640 12.8640 14.5132 14.5132 14.5996 14.5996 17.4400 17.4400 18.5892 18.5892 19.9318 19.9318 k = 0.3841 0.5000 0.3841 ( 2726 PWs) bands (ev): -64.4683 -64.4683 -34.2378 -34.2378 -33.0343 -33.0343 -33.0318 -33.0318 8.4914 8.4914 8.6112 8.6112 9.4762 9.4762 10.9680 10.9680 11.1544 11.1544 12.1791 12.1791 12.4460 12.4460 12.9041 12.9041 14.4939 14.4939 14.5939 14.5939 17.3756 17.3756 18.4448 18.4448 19.9311 19.9311 k = 0.3768 0.5000 0.3768 ( 2734 PWs) bands (ev): -64.4698 -64.4698 -34.2376 -34.2376 -33.0342 -33.0342 -33.0315 -33.0315 8.4890 8.4890 8.6223 8.6223 9.4869 9.4869 10.9128 10.9128 11.0902 11.0902 12.1853 12.1853 12.4531 12.4531 12.9401 12.9401 14.4609 14.4609 14.5856 14.5856 17.3039 17.3039 18.2990 18.2990 19.9417 19.9417 k = 0.3696 0.5000 0.3696 ( 2726 PWs) bands (ev): -64.4685 -64.4685 -34.2373 -34.2373 -33.0341 -33.0341 -33.0310 -33.0310 8.4867 8.4867 8.6339 8.6339 9.4988 9.4988 10.8584 10.8584 11.0262 11.0262 12.1941 12.1941 12.4630 12.4630 12.9783 12.9783 14.4489 14.4489 14.5831 14.5831 17.2343 17.2343 18.1558 18.1558 19.9634 19.9634 k = 0.3623 0.5000 0.3623 ( 2726 PWs) bands (ev): -64.4686 -64.4686 -34.2371 -34.2371 -33.0340 -33.0340 -33.0306 -33.0306 8.4846 8.4846 8.6458 8.6458 9.5117 9.5117 10.8036 10.8036 10.9603 10.9603 12.2005 12.2005 12.4706 12.4706 13.0150 13.0150 14.4261 14.4261 14.5772 14.5772 17.1556 17.1556 18.0128 18.0128 19.9944 19.9944 k = 0.3551 0.5000 0.3551 ( 2726 PWs) bands (ev): -64.4687 -64.4687 -34.2369 -34.2369 -33.0339 -33.0339 -33.0302 -33.0302 8.4827 8.4827 8.6581 8.6581 9.5255 9.5255 10.7483 10.7483 10.8944 10.8944 12.2066 12.2066 12.4776 12.4776 13.0503 13.0503 14.4023 14.4023 14.5713 14.5713 17.0733 17.0733 17.8712 17.8712 20.0344 20.0344 k = 0.3478 0.5000 0.3478 ( 2722 PWs) bands (ev): -64.4681 -64.4681 -34.2366 -34.2366 -33.0338 -33.0338 -33.0297 -33.0297 8.4811 8.4811 8.6707 8.6707 9.5403 9.5403 10.6920 10.6920 10.8295 10.8295 12.2127 12.2127 12.4840 12.4840 13.0844 13.0844 14.3860 14.3860 14.5682 14.5682 16.9880 16.9880 17.7317 17.7317 20.0825 20.0825 k = 0.3406 0.5000 0.3406 ( 2730 PWs) bands (ev): -64.4696 -64.4696 -34.2364 -34.2364 -33.0337 -33.0337 -33.0293 -33.0293 8.4798 8.4798 8.6834 8.6834 9.5559 9.5559 10.6335 10.6335 10.7664 10.7664 12.2172 12.2172 12.4829 12.4829 13.1169 13.1169 14.3576 14.3576 14.5545 14.5545 16.8977 16.8977 17.5910 17.5910 20.1381 20.1381 k = 0.3333 0.5000 0.3333 ( 2710 PWs) bands (ev): -64.4661 -64.4661 -34.2360 -34.2360 -33.0335 -33.0335 -33.0287 -33.0287 8.4793 8.4793 8.6965 8.6965 9.5727 9.5727 10.5735 10.5735 10.7086 10.7086 12.2246 12.2246 12.4925 12.4925 13.1618 13.1618 14.3342 14.3342 14.5679 14.5679 16.8124 16.8124 17.4617 17.4617 20.2007 20.2007 k = 0.3261 0.5000 0.3261 ( 2718 PWs) bands (ev): -64.4677 -64.4677 -34.2358 -34.2358 -33.0334 -33.0334 -33.0283 -33.0283 8.4788 8.4788 8.7095 8.7095 9.5899 9.5899 10.5088 10.5088 10.6532 10.6532 12.2294 12.2294 12.4940 12.4940 13.1897 13.1897 14.2988 14.2988 14.5526 14.5526 16.7184 16.7184 17.3284 17.3284 20.2693 20.2693 k = 0.3188 0.5000 0.3188 ( 2718 PWs) bands (ev): -64.4678 -64.4678 -34.2355 -34.2355 -33.0333 -33.0333 -33.0278 -33.0278 8.4789 8.4789 8.7226 8.7226 9.6078 9.6078 10.4416 10.4416 10.6028 10.6028 12.2350 12.2350 12.4950 12.4950 13.2181 13.2181 14.2696 14.2696 14.5464 14.5464 16.6259 16.6259 17.1981 17.1981 20.3437 20.3437 k = 0.3116 0.5000 0.3116 ( 2718 PWs) bands (ev): -64.4679 -64.4679 -34.2353 -34.2353 -33.0332 -33.0332 -33.0273 -33.0273 8.4796 8.4796 8.7357 8.7357 9.6262 9.6262 10.3723 10.3723 10.5566 10.5566 12.2405 12.2405 12.4942 12.4942 13.2451 13.2451 14.2394 14.2394 14.5404 14.5404 16.5325 16.5325 17.0707 17.0707 20.4236 20.4236 k = 0.3043 0.5000 0.3043 ( 2706 PWs) bands (ev): -64.4659 -64.4659 -34.2349 -34.2349 -33.0330 -33.0330 -33.0267 -33.0267 8.4810 8.4810 8.7487 8.7487 9.6451 9.6451 10.3026 10.3026 10.5151 10.5151 12.2477 12.2477 12.4936 12.4936 13.2762 13.2762 14.2162 14.2162 14.5409 14.5409 16.4461 16.4461 16.9474 16.9474 20.5088 20.5088 k = 0.2971 0.5000 0.2971 ( 2706 PWs) bands (ev): -64.4660 -64.4660 -34.2346 -34.2346 -33.0329 -33.0329 -33.0262 -33.0262 8.4828 8.4828 8.7615 8.7615 9.6636 9.6636 10.2318 10.2318 10.4763 10.4763 12.2528 12.2528 12.4887 12.4887 13.3003 13.3003 14.1841 14.1841 14.5353 14.5353 16.3519 16.3519 16.8261 16.8261 20.5985 20.5985 k = 0.2899 0.5000 0.2899 ( 2718 PWs) bands (ev): -64.4682 -64.4682 -34.2344 -34.2344 -33.0328 -33.0328 -33.0257 -33.0257 8.4853 8.4853 8.7738 8.7738 9.6810 9.6810 10.1605 10.1605 10.4402 10.4402 12.2555 12.2555 12.4803 12.4803 13.3191 13.3191 14.1380 14.1380 14.5279 14.5279 16.2481 16.2481 16.7070 16.7070 20.6920 20.6920 k = 0.2826 0.5000 0.2826 ( 2718 PWs) bands (ev): -64.4684 -64.4684 -34.2341 -34.2341 -33.0327 -33.0327 -33.0252 -33.0252 8.4884 8.4884 8.7859 8.7859 9.6974 9.6974 10.0924 10.0924 10.4082 10.4082 12.2607 12.2607 12.4728 12.4728 13.3369 13.3369 14.1039 14.1039 14.5195 14.5195 16.1572 16.1572 16.5935 16.5935 20.7905 20.7905 k = 0.2754 0.5000 0.2754 ( 2718 PWs) bands (ev): -64.4685 -64.4685 -34.2338 -34.2338 -33.0326 -33.0326 -33.0246 -33.0246 8.4923 8.4923 8.7974 8.7974 9.7106 9.7106 10.0276 10.0276 10.3800 10.3800 12.2646 12.2646 12.4614 12.4614 13.3566 13.3566 14.0694 14.0694 14.5147 14.5147 16.0629 16.0629 16.4823 16.4823 20.8930 20.8930 k = 0.2681 0.5000 0.2681 ( 2714 PWs) bands (ev): -64.4679 -64.4679 -34.2335 -34.2335 -33.0325 -33.0325 -33.0241 -33.0241 8.4968 8.4968 8.8083 8.8083 9.7182 9.7182 9.9694 9.9694 10.3558 10.3558 12.2682 12.2682 12.4481 12.4481 13.3784 13.3784 14.0357 14.0357 14.5115 14.5115 15.9719 15.9719 16.3751 16.3751 20.9997 20.9997 k = 0.2609 0.5000 0.2609 ( 2716 PWs) bands (ev): -64.4684 -64.4684 -34.2332 -34.2332 -33.0324 -33.0324 -33.0235 -33.0235 8.5018 8.5018 8.8183 8.8183 9.7144 9.7144 9.9226 9.9226 10.3353 10.3353 12.2694 12.2694 12.4332 12.4332 13.3942 13.3942 13.9969 13.9969 14.5075 14.5075 15.8778 15.8778 16.2701 16.2701 21.1097 21.1097 k = 0.2536 0.5000 0.2536 ( 2716 PWs) bands (ev): -64.4685 -64.4685 -34.2329 -34.2329 -33.0323 -33.0323 -33.0230 -33.0230 8.5074 8.5074 8.8274 8.8274 9.6934 9.6934 9.8938 9.8938 10.3193 10.3193 12.2684 12.2684 12.4179 12.4179 13.4098 13.4098 13.9603 13.9603 14.5033 14.5033 15.7849 15.7849 16.1702 16.1702 21.2235 21.2235 k = 0.2464 0.5000 0.2464 ( 2716 PWs) bands (ev): -64.4686 -64.4686 -34.2326 -34.2326 -33.0322 -33.0322 -33.0224 -33.0224 8.5134 8.5134 8.8355 8.8355 9.6553 9.6553 9.8830 9.8830 10.3081 10.3081 12.2635 12.2635 12.4035 12.4035 13.4242 13.4242 13.9230 13.9230 14.4992 14.4992 15.6927 15.6927 16.0745 16.0745 21.3409 21.3409 k = 0.2391 0.5000 0.2391 ( 2716 PWs) bands (ev): -64.4687 -64.4687 -34.2323 -34.2323 -33.0321 -33.0321 -33.0219 -33.0219 8.5197 8.5197 8.8422 8.8422 9.6069 9.6069 9.8832 9.8832 10.3020 10.3020 12.2531 12.2531 12.3917 12.3917 13.4374 13.4374 13.8853 13.8853 14.4949 14.4949 15.6012 15.6012 15.9830 15.9830 21.4617 21.4617 k = 0.2319 0.5000 0.2319 ( 2726 PWs) bands (ev): -64.4706 -64.4706 -34.2321 -34.2321 -33.0320 -33.0320 -33.0214 -33.0214 8.5260 8.5260 8.8475 8.8475 9.5540 9.5540 9.8881 9.8881 10.3007 10.3007 12.2344 12.2344 12.3822 12.3822 13.4487 13.4487 13.8388 13.8388 14.4813 14.4813 15.5043 15.5043 15.8948 15.8948 21.5849 21.5849 k = 0.2246 0.5000 0.2246 ( 2726 PWs) bands (ev): -64.4707 -64.4707 -34.2318 -34.2318 -33.0319 -33.0319 -33.0208 -33.0208 8.5323 8.5323 8.8513 8.8513 9.5017 9.5017 9.8947 9.8947 10.3051 10.3051 12.2097 12.2097 12.3787 12.3787 13.4595 13.4595 13.8002 13.8002 14.4763 14.4763 15.4143 15.4143 15.8122 15.8122 21.7124 21.7124 k = 0.2174 0.5000 0.2174 ( 2718 PWs) bands (ev): -64.4694 -64.4694 -34.2315 -34.2315 -33.0317 -33.0317 -33.0202 -33.0202 8.5383 8.5383 8.8533 8.8533 9.4517 9.4517 9.9015 9.9015 10.3148 10.3148 12.1795 12.1795 12.3798 12.3798 13.4695 13.4695 13.7650 13.7650 14.4860 14.4860 15.3274 15.3274 15.7348 15.7348 21.8435 21.8435 k = 0.2101 0.5000 0.2101 ( 2726 PWs) bands (ev): -64.4709 -64.4709 -34.2312 -34.2312 -33.0317 -33.0317 -33.0198 -33.0198 8.5431 8.5431 8.8535 8.8535 9.4042 9.4042 9.9078 9.9078 10.3286 10.3286 12.1417 12.1417 12.3809 12.3809 13.4774 13.4774 13.7194 13.7194 14.4769 14.4769 15.2318 15.2318 15.6599 15.6599 21.9760 21.9760 k = 0.2029 0.5000 0.2029 ( 2726 PWs) bands (ev): -64.4710 -64.4710 -34.2310 -34.2310 -33.0316 -33.0316 -33.0192 -33.0192 8.5466 8.5466 8.8520 8.8520 9.3618 9.3618 9.9138 9.9138 10.3473 10.3473 12.1007 12.1007 12.3851 12.3851 13.4852 13.4852 13.6799 13.6799 14.4702 14.4702 15.1444 15.1444 15.5915 15.5915 22.1131 22.1131 k = 0.1957 0.5000 0.1957 ( 2732 PWs) bands (ev): -64.4722 -64.4722 -34.2307 -34.2307 -33.0315 -33.0315 -33.0187 -33.0187 8.5478 8.5478 8.8489 8.8489 9.3245 9.3245 9.9195 9.9195 10.3697 10.3697 12.0532 12.0532 12.3896 12.3896 13.4920 13.4920 13.6391 13.6391 14.4596 14.4596 15.0572 15.0572 15.5176 15.5176 22.2531 22.2531 k = 0.1884 0.5000 0.1884 ( 2728 PWs) bands (ev): -64.4716 -64.4716 -34.2304 -34.2304 -33.0314 -33.0314 -33.0182 -33.0182 8.5462 8.5462 8.8449 8.8449 9.2932 9.2932 9.9256 9.9256 10.3954 10.3954 12.0052 12.0052 12.3962 12.3962 13.4985 13.4985 13.6033 13.6033 14.4559 14.4559 14.9736 14.9736 15.4590 15.4590 22.3967 22.3967 k = 0.1812 0.5000 0.1812 ( 2728 PWs) bands (ev): -64.4717 -64.4717 -34.2302 -34.2302 -33.0313 -33.0313 -33.0177 -33.0177 8.5409 8.5409 8.8404 8.8404 9.2678 9.2678 9.9320 9.9320 10.4237 10.4237 11.9541 11.9541 12.4032 12.4032 13.5037 13.5037 13.5637 13.5637 14.4462 14.4462 14.8894 14.8894 15.4053 15.4053 22.5430 22.5430 k = 0.1739 0.5000 0.1739 ( 2740 PWs) bands (ev): -64.4740 -64.4740 -34.2300 -34.2300 -33.0313 -33.0313 -33.0173 -33.0173 8.5312 8.5312 8.8363 8.8363 9.2482 9.2482 9.9388 9.9388 10.4536 10.4536 11.8981 11.8981 12.4095 12.4095 13.5013 13.5013 13.5167 13.5167 14.4337 14.4337 14.8011 14.8011 15.3470 15.3470 22.6908 22.6908 k = 0.1667 0.5000 0.1667 ( 2744 PWs) bands (ev): -64.4748 -64.4748 -34.2298 -34.2298 -33.0312 -33.0312 -33.0168 -33.0168 8.5168 8.5168 8.8331 8.8331 9.2349 9.2349 9.9467 9.9467 10.4856 10.4856 11.8419 11.8419 12.4170 12.4170 13.4741 13.4741 13.5065 13.5065 14.4141 14.4141 14.7175 14.7175 15.3030 15.3030 22.8424 22.8424 k = 0.1594 0.5000 0.1594 ( 2744 PWs) bands (ev): -64.4749 -64.4749 -34.2295 -34.2295 -33.0311 -33.0311 -33.0164 -33.0164 8.4981 8.4981 8.8313 8.8313 9.2274 9.2274 9.9556 9.9556 10.5190 10.5190 11.7839 11.7839 12.4252 12.4252 13.4354 13.4354 13.5093 13.5093 14.4003 14.4003 14.6375 14.6375 15.2638 15.2638 22.9973 22.9973 k = 0.1522 0.5000 0.1522 ( 2736 PWs) bands (ev): -64.4736 -64.4736 -34.2293 -34.2293 -33.0310 -33.0310 -33.0159 -33.0159 8.4754 8.4754 8.8308 8.8308 9.2254 9.2254 9.9658 9.9658 10.5539 10.5539 11.7246 11.7246 12.4343 12.4343 13.4038 13.4038 13.5152 13.5152 14.3874 14.3874 14.5655 14.5655 15.2307 15.2307 23.1565 23.1565 k = 0.1449 0.5000 0.1449 ( 2736 PWs) bands (ev): -64.4736 -64.4736 -34.2290 -34.2290 -33.0309 -33.0309 -33.0155 -33.0155 8.4493 8.4493 8.8311 8.8311 9.2282 9.2282 9.9768 9.9768 10.5889 10.5889 11.6634 11.6634 12.4429 12.4429 13.3657 13.3657 13.5171 13.5171 14.3696 14.3696 14.4905 14.4905 15.2003 15.2003 23.3169 23.3169 k = 0.1377 0.5000 0.1377 ( 2740 PWs) bands (ev): -64.4744 -64.4744 -34.2288 -34.2288 -33.0309 -33.0309 -33.0151 -33.0151 8.4209 8.4209 8.8321 8.8321 9.2355 9.2355 9.9888 9.9888 10.6238 10.6238 11.6006 11.6006 12.4512 12.4512 13.3277 13.3277 13.5182 13.5182 14.3418 14.3418 14.4170 14.4170 15.1738 15.1738 23.4784 23.4784 k = 0.1304 0.5000 0.1304 ( 2738 PWs) bands (ev): -64.4741 -64.4741 -34.2286 -34.2286 -33.0308 -33.0308 -33.0146 -33.0146 8.3911 8.3911 8.8331 8.8331 9.2473 9.2473 10.0017 10.0017 10.6591 10.6591 11.5376 11.5376 12.4603 12.4603 13.2910 13.2910 13.5191 13.5191 14.3035 14.3035 14.3700 14.3700 15.1513 15.1513 23.6439 23.6439 k = 0.1232 0.5000 0.1232 ( 2738 PWs) bands (ev): -64.4742 -64.4742 -34.2284 -34.2284 -33.0307 -33.0307 -33.0143 -33.0143 8.3605 8.3605 8.8340 8.8340 9.2630 9.2630 10.0156 10.0156 10.6939 10.6939 11.4740 11.4740 12.4694 12.4694 13.2551 13.2551 13.5196 13.5196 14.2420 14.2420 14.3420 14.3420 15.1319 15.1319 23.8114 23.8114 k = 0.1159 0.5000 0.1159 ( 2736 PWs) bands (ev): -64.4739 -64.4739 -34.2283 -34.2283 -33.0307 -33.0307 -33.0139 -33.0139 8.3299 8.3299 8.8345 8.8345 9.2823 9.2823 10.0304 10.0304 10.7279 10.7279 11.4105 11.4105 12.4790 12.4790 13.2251 13.2251 13.5213 13.5213 14.1771 14.1771 14.3167 14.3167 15.1157 15.1157 23.9816 23.9816 k = 0.1087 0.5000 0.1087 ( 2736 PWs) bands (ev): -64.4739 -64.4739 -34.2281 -34.2281 -33.0306 -33.0306 -33.0135 -33.0135 8.2996 8.2996 8.8345 8.8345 9.3048 9.3048 10.0458 10.0458 10.7603 10.7603 11.3475 11.3475 12.4885 12.4885 13.1913 13.1913 13.5210 13.5210 14.1105 14.1105 14.2980 14.2980 15.1018 15.1018 24.1529 24.1529 k = 0.1014 0.5000 0.1014 ( 2740 PWs) bands (ev): -64.4747 -64.4747 -34.2279 -34.2279 -33.0306 -33.0306 -33.0132 -33.0132 8.2701 8.2701 8.8340 8.8340 9.3301 9.3301 10.0618 10.0618 10.7902 10.7902 11.2860 11.2860 12.4977 12.4977 13.1559 13.1559 13.5189 13.5189 14.0411 14.0411 14.2789 14.2789 15.0901 15.0901 24.3244 24.3244 k = 0.0942 0.5000 0.0942 ( 2732 PWs) bands (ev): -64.4733 -64.4733 -34.2277 -34.2277 -33.0305 -33.0305 -33.0129 -33.0129 8.2418 8.2418 8.8330 8.8330 9.3579 9.3579 10.0785 10.0785 10.8170 10.8170 11.2283 11.2283 12.5081 12.5081 13.1261 13.1261 13.5188 13.5188 13.9869 13.9869 14.2677 14.2677 15.0851 15.0851 24.5004 24.5004 k = 0.0870 0.5000 0.0870 ( 2732 PWs) bands (ev): -64.4733 -64.4733 -34.2276 -34.2276 -33.0304 -33.0304 -33.0126 -33.0126 8.2149 8.2149 8.8316 8.8316 9.3875 9.3875 10.0957 10.0957 10.8374 10.8374 11.1747 11.1747 12.5179 12.5179 13.0963 13.0963 13.5174 13.5174 13.9268 13.9268 14.2520 14.2520 15.0772 15.0772 24.6746 24.6746 k = 0.0797 0.5000 0.0797 ( 2740 PWs) bands (ev): -64.4748 -64.4748 -34.2275 -34.2275 -33.0304 -33.0304 -33.0124 -33.0124 8.1895 8.1895 8.8299 8.8299 9.4185 9.4185 10.1134 10.1134 10.8480 10.8480 11.1298 11.1298 12.5275 12.5275 13.0637 13.0637 13.5156 13.5156 13.8657 13.8657 14.2257 14.2257 15.0673 15.0673 24.8474 24.8474 k = 0.0725 0.5000 0.0725 ( 2740 PWs) bands (ev): -64.4749 -64.4749 -34.2274 -34.2274 -33.0304 -33.0304 -33.0121 -33.0121 8.1660 8.1660 8.8280 8.8280 9.4505 9.4505 10.1318 10.1318 10.8437 10.8437 11.0991 11.0991 12.5375 12.5375 13.0371 13.0371 13.5133 13.5133 13.8123 13.8123 14.2120 14.2120 15.0618 15.0618 25.0202 25.0202 k = 0.0652 0.5000 0.0652 ( 2738 PWs) bands (ev): -64.4745 -64.4745 -34.2273 -34.2273 -33.0303 -33.0303 -33.0119 -33.0119 8.1444 8.1444 8.8260 8.8260 9.4830 9.4830 10.1508 10.1508 10.8215 10.8215 11.0857 11.0857 12.5477 12.5477 13.0128 13.0128 13.5115 13.5115 13.7685 13.7685 14.1990 14.1990 15.0551 15.0551 25.1919 25.1919 k = 0.0580 0.5000 0.0580 ( 2738 PWs) bands (ev): -64.4746 -64.4746 -34.2272 -34.2272 -33.0303 -33.0303 -33.0117 -33.0117 8.1248 8.1248 8.8240 8.8240 9.5153 9.5153 10.1707 10.1707 10.7841 10.7841 11.0863 11.0863 12.5575 12.5575 12.9898 12.9898 13.5079 13.5079 13.7238 13.7238 14.1876 14.1876 15.0514 15.0514 25.3583 25.3583 k = 0.0507 0.5000 0.0507 ( 2740 PWs) bands (ev): -64.4750 -64.4750 -34.2271 -34.2271 -33.0303 -33.0303 -33.0115 -33.0115 8.1073 8.1073 8.8220 8.8220 9.5467 9.5467 10.1916 10.1916 10.7376 10.7376 11.0950 11.0950 12.5668 12.5668 12.9689 12.9689 13.5030 13.5030 13.6808 13.6808 14.1766 14.1766 15.0479 15.0479 25.5176 25.5176 k = 0.0435 0.5000 0.0435 ( 2740 PWs) bands (ev): -64.4750 -64.4750 -34.2270 -34.2270 -33.0302 -33.0302 -33.0114 -33.0114 8.0920 8.0920 8.8202 8.8202 9.5765 9.5765 10.2139 10.2139 10.6871 10.6871 11.1072 11.1072 12.5759 12.5759 12.9463 12.9463 13.4963 13.4963 13.6466 13.6466 14.1740 14.1740 15.0464 15.0464 25.6687 25.6687 k = 0.0362 0.5000 0.0362 ( 2746 PWs) bands (ev): -64.4761 -64.4761 -34.2270 -34.2270 -33.0302 -33.0302 -33.0113 -33.0113 8.0790 8.0790 8.8185 8.8185 9.6039 9.6039 10.2379 10.2379 10.6352 10.6352 11.1200 11.1200 12.5844 12.5844 12.9292 12.9292 13.4887 13.4887 13.6193 13.6193 14.1533 14.1533 15.0400 15.0400 25.8076 25.8076 k = 0.0290 0.5000 0.0290 ( 2746 PWs) bands (ev): -64.4761 -64.4761 -34.2269 -34.2269 -33.0302 -33.0302 -33.0112 -33.0112 8.0683 8.0683 8.8171 8.8171 9.6280 9.6280 10.2640 10.2640 10.5837 10.5837 11.1318 11.1318 12.5920 12.5920 12.9154 12.9154 13.4799 13.4799 13.5993 13.5993 14.1469 14.1469 15.0385 15.0385 25.9304 25.9304 k = 0.0217 0.5000 0.0217 ( 2746 PWs) bands (ev): -64.4761 -64.4761 -34.2269 -34.2269 -33.0302 -33.0302 -33.0111 -33.0111 8.0599 8.0599 8.8160 8.8160 9.6478 9.6478 10.2928 10.2928 10.5337 10.5337 11.1417 11.1417 12.5983 12.5983 12.9045 12.9045 13.4709 13.4709 13.5856 13.5856 14.1419 14.1419 15.0374 15.0374 26.0322 26.0322 k = 0.0145 0.5000 0.0145 ( 2742 PWs) bands (ev): -64.4754 -64.4754 -34.2268 -34.2268 -33.0302 -33.0302 -33.0110 -33.0110 8.0539 8.0539 8.8151 8.8151 9.6627 9.6627 10.3246 10.3246 10.4860 10.4860 11.1492 11.1492 12.6032 12.6032 12.8974 12.8974 13.4671 13.4671 13.5805 13.5805 14.1405 14.1405 15.0367 15.0367 26.1102 26.1102 k = 0.0072 0.5000 0.0072 ( 2738 PWs) bands (ev): -64.4747 -64.4747 -34.2268 -34.2268 -33.0302 -33.0302 -33.0110 -33.0110 8.0503 8.0503 8.8146 8.8146 9.6720 9.6720 10.3593 10.3593 10.4414 10.4414 11.1537 11.1537 12.6062 12.6062 12.8965 12.8965 13.4621 13.4621 13.5766 13.5766 14.1423 14.1423 15.0393 15.0393 26.1581 26.1581 k = 0.0000 0.5000-0.0000 ( 2730 PWs) bands (ev): -64.4733 -64.4733 -34.2268 -34.2268 -33.0301 -33.0301 -33.0109 -33.0109 8.0491 8.0491 8.8145 8.8145 9.6751 9.6751 10.3907 10.3907 10.4068 10.4068 11.1553 11.1553 12.6073 12.6073 12.8997 12.8997 13.4645 13.4645 13.5795 13.5795 14.1476 14.1476 15.0421 15.0421 26.1761 26.1761 k = 0.5000 0.5000-0.0000 ( 2704 PWs) bands (ev): -64.4671 -64.4671 -34.2325 -34.2325 -33.0366 -33.0366 -33.0175 -33.0175 8.0553 8.0553 8.3393 8.3393 9.5607 9.5607 9.8850 9.8850 11.6305 11.6305 12.5680 12.5680 13.7183 13.7183 13.9945 13.9945 14.4308 14.4308 14.6074 14.6074 14.7518 14.7518 14.8332 14.8332 17.9259 17.9259 k = 0.5000 0.5000 0.0102 ( 2704 PWs) bands (ev): -64.4671 -64.4671 -34.2325 -34.2325 -33.0366 -33.0366 -33.0175 -33.0175 8.0559 8.0559 8.3407 8.3407 9.5605 9.5605 9.8843 9.8843 11.6305 11.6305 12.5681 12.5681 13.7113 13.7113 13.9951 13.9951 14.4087 14.4087 14.6081 14.6081 14.7606 14.7606 14.8577 14.8577 17.9256 17.9256 k = 0.5000 0.5000 0.0204 ( 2704 PWs) bands (ev): -64.4671 -64.4671 -34.2325 -34.2325 -33.0366 -33.0366 -33.0176 -33.0176 8.0577 8.0577 8.3450 8.3450 9.5600 9.5600 9.8823 9.8823 11.6307 11.6307 12.5685 12.5685 13.6908 13.6908 13.9968 13.9968 14.3536 14.3536 14.6097 14.6097 14.7867 14.7867 14.9198 14.9198 17.9247 17.9247 k = 0.5000 0.5000 0.0306 ( 2712 PWs) bands (ev): -64.4685 -64.4685 -34.2326 -34.2326 -33.0366 -33.0366 -33.0177 -33.0177 8.0605 8.0605 8.3518 8.3518 9.5587 9.5587 9.8784 9.8784 11.6309 11.6309 12.5684 12.5684 13.6585 13.6585 13.9950 13.9950 14.2807 14.2807 14.6106 14.6106 14.8217 14.8217 14.9968 14.9968 17.9219 17.9219 k = 0.5000 0.5000 0.0408 ( 2720 PWs) bands (ev): -64.4698 -64.4698 -34.2327 -34.2327 -33.0366 -33.0366 -33.0179 -33.0179 8.0645 8.0645 8.3610 8.3610 9.5569 9.5569 9.8731 9.8731 11.6311 11.6311 12.5665 12.5665 13.6167 13.6167 13.9990 13.9990 14.2003 14.2003 14.6118 14.6118 14.8713 14.8713 15.0862 15.0862 17.9140 17.9140 k = 0.5000 0.5000 0.0510 ( 2720 PWs) bands (ev): -64.4698 -64.4698 -34.2327 -34.2327 -33.0366 -33.0366 -33.0181 -33.0181 8.0696 8.0696 8.3733 8.3733 9.5557 9.5557 9.8674 9.8674 11.6317 11.6317 12.5674 12.5674 13.5689 13.5689 14.0041 14.0041 14.1196 14.1196 14.6133 14.6133 14.9393 14.9393 15.1878 15.1878 17.9112 17.9112 k = 0.5000 0.5000 0.0612 ( 2720 PWs) bands (ev): -64.4698 -64.4698 -34.2328 -34.2328 -33.0366 -33.0366 -33.0183 -33.0183 8.0759 8.0759 8.3880 8.3880 9.5547 9.5547 9.8604 9.8604 11.6323 11.6323 12.5685 12.5685 13.5167 13.5167 14.0103 14.0103 14.0388 14.0388 14.6145 14.6145 15.0166 15.0166 15.2942 15.2942 17.9078 17.9078 k = 0.5000 0.5000 0.0714 ( 2720 PWs) bands (ev): -64.4697 -64.4697 -34.2329 -34.2329 -33.0366 -33.0366 -33.0185 -33.0185 8.0832 8.0832 8.4050 8.4050 9.5538 9.5538 9.8522 9.8522 11.6331 11.6331 12.5698 12.5698 13.4618 13.4618 13.9588 13.9588 14.0178 14.0178 14.6155 14.6155 15.1016 15.1016 15.4043 15.4043 17.9038 17.9038 k = 0.5000 0.5000 0.0816 ( 2712 PWs) bands (ev): -64.4682 -64.4682 -34.2330 -34.2330 -33.0365 -33.0365 -33.0187 -33.0187 8.0916 8.0916 8.4242 8.4242 9.5539 9.5539 9.8435 9.8435 11.6341 11.6341 12.5718 12.5718 13.4070 13.4070 13.8830 13.8830 14.0268 14.0268 14.6267 14.6267 15.1971 15.1971 15.5207 15.5207 17.9005 17.9005 k = 0.5000 0.5000 0.0918 ( 2724 PWs) bands (ev): -64.4703 -64.4703 -34.2331 -34.2331 -33.0365 -33.0365 -33.0191 -33.0191 8.1007 8.1007 8.4450 8.4450 9.5538 9.5538 9.8324 9.8324 11.6349 11.6349 12.5729 12.5729 13.3482 13.3482 13.8032 13.8032 14.0179 14.0179 14.6271 14.6271 15.2883 15.2883 15.6326 15.6326 17.8952 17.8952 k = 0.5000 0.5000 0.1020 ( 2724 PWs) bands (ev): -64.4703 -64.4703 -34.2333 -34.2333 -33.0365 -33.0365 -33.0194 -33.0194 8.1109 8.1109 8.4674 8.4674 9.5553 9.5553 9.8210 9.8210 11.6361 11.6361 12.5742 12.5742 13.2914 13.2914 13.7283 13.7283 14.0281 14.0281 14.6279 14.6279 15.3893 15.3893 15.7511 15.7511 17.8897 17.8897 k = 0.5000 0.5000 0.1122 ( 2724 PWs) bands (ev): -64.4702 -64.4702 -34.2334 -34.2334 -33.0364 -33.0364 -33.0198 -33.0198 8.1221 8.1221 8.4909 8.4909 9.5582 9.5582 9.8087 9.8087 11.6374 11.6374 12.5755 12.5755 13.2352 13.2352 13.6555 13.6555 14.0393 14.0393 14.6287 14.6287 15.4943 15.4943 15.8719 15.8719 17.8837 17.8837 k = 0.5000 0.5000 0.1224 ( 2724 PWs) bands (ev): -64.4701 -64.4701 -34.2335 -34.2335 -33.0364 -33.0364 -33.0202 -33.0202 8.1340 8.1340 8.5150 8.5150 9.5628 9.5628 9.7954 9.7954 11.6388 11.6388 12.5760 12.5760 13.1800 13.1800 13.5847 13.5847 14.0540 14.0540 14.6296 14.6296 15.6025 15.6025 15.9947 15.9947 17.8761 17.8761 k = 0.5000 0.5000 0.1327 ( 2724 PWs) bands (ev): -64.4701 -64.4701 -34.2337 -34.2337 -33.0364 -33.0364 -33.0206 -33.0206 8.1468 8.1468 8.5394 8.5394 9.5699 9.5699 9.7813 9.7813 11.6403 11.6403 12.5767 12.5767 13.1263 13.1263 13.5162 13.5162 14.0672 14.0672 14.6305 14.6305 15.7142 15.7142 16.1198 16.1198 17.8693 17.8693 k = 0.5000 0.5000 0.1429 ( 2724 PWs) bands (ev): -64.4700 -64.4700 -34.2339 -34.2339 -33.0363 -33.0363 -33.0210 -33.0210 8.1602 8.1602 8.5636 8.5636 9.5799 9.5799 9.7666 9.7666 11.6420 11.6420 12.5769 12.5769 13.0744 13.0744 13.4500 13.4500 14.0814 14.0814 14.6315 14.6315 15.8289 15.8289 16.2471 16.2471 17.8622 17.8622 k = 0.5000 0.5000 0.1531 ( 2724 PWs) bands (ev): -64.4699 -64.4699 -34.2341 -34.2341 -33.0363 -33.0363 -33.0214 -33.0214 8.1743 8.1743 8.5870 8.5870 9.5933 9.5933 9.7512 9.7512 11.6438 11.6438 12.5765 12.5765 13.0246 13.0246 13.3860 13.3860 14.0964 14.0964 14.6325 14.6325 15.9463 15.9463 16.3763 16.3763 17.8548 17.8548 k = 0.5000 0.5000 0.1633 ( 2708 PWs) bands (ev): -64.4669 -64.4669 -34.2342 -34.2342 -33.0362 -33.0362 -33.0218 -33.0218 8.1891 8.1891 8.6094 8.6094 9.6112 9.6112 9.7360 9.7360 11.6459 11.6459 12.5770 12.5770 12.9817 12.9817 13.3305 13.3305 14.1278 14.1278 14.6382 14.6382 16.0728 16.0728 16.5126 16.5126 17.8495 17.8495 k = 0.5000 0.5000 0.1735 ( 2708 PWs) bands (ev): -64.4668 -64.4668 -34.2344 -34.2344 -33.0361 -33.0361 -33.0223 -33.0223 8.2043 8.2043 8.6295 8.6295 9.6331 9.6331 9.7196 9.7196 11.6479 11.6479 12.5745 12.5745 12.9369 12.9369 13.2710 13.2710 14.1444 14.1444 14.6392 14.6392 16.1949 16.1949 16.6454 16.6454 17.8416 17.8416 k = 0.5000 0.5000 0.1837 ( 2712 PWs) bands (ev): -64.4674 -64.4674 -34.2346 -34.2346 -33.0361 -33.0361 -33.0228 -33.0228 8.2198 8.2198 8.6472 8.6472 9.6593 9.6593 9.7026 9.7026 11.6500 11.6500 12.5685 12.5685 12.8940 12.8940 13.2122 13.2122 14.1612 14.1612 14.6403 14.6403 16.3177 16.3177 16.7787 16.7787 17.8297 17.8297 k = 0.5000 0.5000 0.1939 ( 2712 PWs) bands (ev): -64.4673 -64.4673 -34.2348 -34.2348 -33.0361 -33.0361 -33.0233 -33.0233 8.2356 8.2356 8.6624 8.6624 9.6856 9.6856 9.6914 9.6914 11.6522 11.6522 12.5624 12.5624 12.8557 12.8557 13.1571 13.1571 14.1792 14.1792 14.6414 14.6414 16.4442 16.4442 16.9151 16.9151 17.8217 17.8217 k = 0.5000 0.5000 0.2041 ( 2712 PWs) bands (ev): -64.4672 -64.4672 -34.2350 -34.2350 -33.0360 -33.0360 -33.0238 -33.0238 8.2517 8.2517 8.6746 8.6746 9.6685 9.6685 9.7290 9.7290 11.6545 11.6545 12.5536 12.5536 12.8215 12.8215 13.1042 13.1042 14.1979 14.1979 14.6426 14.6426 16.5726 16.5726 17.0532 17.0532 17.8136 17.8136 k = 0.5000 0.5000 0.2143 ( 2728 PWs) bands (ev): -64.4700 -64.4700 -34.2353 -34.2353 -33.0360 -33.0360 -33.0245 -33.0245 8.2677 8.2677 8.6836 8.6836 9.6509 9.6509 9.7718 9.7718 11.6568 11.6568 12.5401 12.5401 12.7898 12.7898 13.0502 13.0502 14.2001 14.2001 14.6263 14.6263 16.6999 16.6999 17.1903 17.1903 17.8041 17.8041 k = 0.5000 0.5000 0.2245 ( 2720 PWs) bands (ev): -64.4685 -64.4685 -34.2355 -34.2355 -33.0359 -33.0359 -33.0250 -33.0250 8.2840 8.2840 8.6899 8.6899 9.6341 9.6341 9.8208 9.8208 11.6594 11.6594 12.5272 12.5272 12.7675 12.7675 13.0066 13.0066 14.2213 14.2213 14.6295 14.6295 16.8363 16.8363 17.3351 17.3351 17.7977 17.7977 k = 0.5000 0.5000 0.2347 ( 2720 PWs) bands (ev): -64.4684 -64.4684 -34.2357 -34.2357 -33.0359 -33.0359 -33.0255 -33.0255 8.3003 8.3003 8.6932 8.6932 9.6172 9.6172 9.8747 9.8747 11.6619 11.6619 12.5087 12.5087 12.7468 12.7468 12.9600 12.9600 14.2414 14.2414 14.6307 14.6307 16.9700 16.9700 17.4778 17.4778 17.7900 17.7900 k = 0.5000 0.5000 0.2449 ( 2720 PWs) bands (ev): -64.4682 -64.4682 -34.2359 -34.2359 -33.0358 -33.0358 -33.0261 -33.0261 8.3164 8.3164 8.6937 8.6937 9.6005 9.6005 9.9337 9.9337 11.6646 11.6646 12.4872 12.4872 12.7302 12.7302 12.9154 12.9154 14.2619 14.2619 14.6319 14.6319 17.1052 17.1052 17.6219 17.6219 17.7826 17.7826 k = 0.5000 0.5000 0.2551 ( 2712 PWs) bands (ev): -64.4667 -64.4667 -34.2361 -34.2361 -33.0358 -33.0358 -33.0266 -33.0266 8.3323 8.3323 8.6920 8.6920 9.5844 9.5844 9.9976 9.9976 11.6674 11.6674 12.4662 12.4662 12.7182 12.7182 12.8775 12.8775 14.2900 14.2900 14.6343 14.6343 17.2453 17.2453 17.7705 17.7705 17.7760 17.7760 k = 0.5000 0.5000 0.2653 ( 2712 PWs) bands (ev): -64.4666 -64.4666 -34.2363 -34.2363 -33.0357 -33.0357 -33.0271 -33.0271 8.3479 8.3479 8.6881 8.6881 9.5685 9.5685 10.0655 10.0655 11.6701 11.6701 12.4412 12.4412 12.7071 12.7071 12.8369 12.8369 14.3110 14.3110 14.6355 14.6355 17.3830 17.3830 17.7695 17.7695 17.9173 17.9173 k = 0.5000 0.5000 0.2755 ( 2712 PWs) bands (ev): -64.4665 -64.4665 -34.2366 -34.2366 -33.0357 -33.0357 -33.0277 -33.0277 8.3630 8.3630 8.6823 8.6823 9.5532 9.5532 10.1374 10.1374 11.6729 11.6729 12.4153 12.4153 12.6975 12.6975 12.7984 12.7984 14.3323 14.3323 14.6368 14.6368 17.5215 17.5215 17.7640 17.7640 18.0655 18.0655 k = 0.5000 0.5000 0.2857 ( 2704 PWs) bands (ev): -64.4649 -64.4649 -34.2368 -34.2368 -33.0356 -33.0356 -33.0281 -33.0281 8.3777 8.3777 8.6751 8.6751 9.5385 9.5385 10.2126 10.2126 11.6758 11.6758 12.3904 12.3904 12.6892 12.6892 12.7636 12.7636 14.3719 14.3719 14.6382 14.6382 17.6602 17.6602 17.7613 17.7613 18.2161 18.2161 k = 0.5000 0.5000 0.2959 ( 2720 PWs) bands (ev): -64.4676 -64.4676 -34.2370 -34.2370 -33.0356 -33.0356 -33.0288 -33.0288 8.3918 8.3918 8.6664 8.6664 9.5241 9.5241 10.2902 10.2902 11.6786 11.6786 12.3565 12.3565 12.6778 12.6778 12.7184 12.7184 14.3920 14.3920 14.6321 14.6321 17.7405 17.7405 17.8060 17.8060 18.3595 18.3595 k = 0.5000 0.5000 0.3061 ( 2720 PWs) bands (ev): -64.4675 -64.4675 -34.2372 -34.2372 -33.0356 -33.0356 -33.0293 -33.0293 8.4052 8.4052 8.6571 8.6571 9.5109 9.5109 10.3709 10.3709 11.6814 11.6814 12.3307 12.3307 12.6696 12.6696 12.6854 12.6854 14.4131 14.4131 14.6333 14.6333 17.7419 17.7419 17.9422 17.9422 18.5112 18.5112 k = 0.5000 0.5000 0.3163 ( 2712 PWs) bands (ev): -64.4660 -64.4660 -34.2374 -34.2374 -33.0355 -33.0355 -33.0298 -33.0298 8.4180 8.4180 8.6471 8.6471 9.4986 9.4986 10.4538 10.4538 11.6842 11.6842 12.3089 12.3089 12.6586 12.6586 12.6615 12.6615 14.4344 14.4344 14.6455 14.6455 17.7394 17.7394 18.0869 18.0869 18.6665 18.6665 k = 0.5000 0.5000 0.3265 ( 2720 PWs) bands (ev): -64.4674 -64.4674 -34.2376 -34.2376 -33.0354 -33.0354 -33.0303 -33.0303 8.4300 8.4300 8.6365 8.6365 9.4869 9.4869 10.5383 10.5383 11.6870 11.6870 12.2805 12.2805 12.6239 12.6239 12.6514 12.6514 14.4512 14.4512 14.6433 14.6433 17.7370 17.7370 18.2252 18.2252 18.8167 18.8167 k = 0.5000 0.5000 0.3367 ( 2720 PWs) bands (ev): -64.4673 -64.4673 -34.2378 -34.2378 -33.0354 -33.0354 -33.0308 -33.0308 8.4412 8.4412 8.6258 8.6258 9.4763 9.4763 10.6240 10.6240 11.6897 11.6897 12.2572 12.2572 12.5963 12.5963 12.6411 12.6411 14.4714 14.4714 14.6443 14.6443 17.7352 17.7352 18.3680 18.3680 18.9713 18.9713 k = 0.5000 0.5000 0.3469 ( 2720 PWs) bands (ev): -64.4672 -64.4672 -34.2380 -34.2380 -33.0353 -33.0353 -33.0313 -33.0313 8.4516 8.4516 8.6150 8.6150 9.4665 9.4665 10.7106 10.7106 11.6924 11.6924 12.2348 12.2348 12.5706 12.5706 12.6296 12.6296 14.4911 14.4911 14.6452 14.6452 17.7343 17.7343 18.5106 18.5106 19.1267 19.1267 k = 0.5000 0.5000 0.3571 ( 2720 PWs) bands (ev): -64.4671 -64.4671 -34.2382 -34.2382 -33.0353 -33.0353 -33.0317 -33.0317 8.4611 8.4611 8.6043 8.6043 9.4577 9.4577 10.7976 10.7976 11.6950 11.6950 12.2134 12.2134 12.5467 12.5467 12.6170 12.6170 14.5103 14.5103 14.6462 14.6462 17.7342 17.7342 18.6527 18.6527 19.2828 19.2828 k = 0.5000 0.5000 0.3673 ( 2724 PWs) bands (ev): -64.4677 -64.4677 -34.2384 -34.2384 -33.0353 -33.0353 -33.0322 -33.0322 8.4698 8.4698 8.5937 8.5937 9.4498 9.4498 10.8845 10.8845 11.6974 11.6974 12.1930 12.1930 12.5245 12.5245 12.6029 12.6029 14.5165 14.5165 14.6471 14.6471 17.7350 17.7350 18.7936 18.7936 19.4395 19.4395 k = 0.5000 0.5000 0.3776 ( 2724 PWs) bands (ev): -64.4676 -64.4676 -34.2386 -34.2386 -33.0352 -33.0352 -33.0326 -33.0326 8.4777 8.4777 8.5836 8.5836 9.4427 9.4427 10.9709 10.9709 11.6998 11.6998 12.1736 12.1736 12.5041 12.5041 12.5875 12.5875 14.5339 14.5339 14.6480 14.6480 17.7367 17.7367 18.9328 18.9328 19.5966 19.5966 k = 0.5000 0.5000 0.3878 ( 2740 PWs) bands (ev): -64.4703 -64.4703 -34.2388 -34.2388 -33.0353 -33.0353 -33.0330 -33.0330 8.4846 8.4846 8.5738 8.5738 9.4364 9.4364 11.0540 11.0540 11.7021 11.7021 12.1534 12.1534 12.4839 12.4839 12.5639 12.5639 14.5400 14.5400 14.6298 14.6298 17.7350 17.7350 19.0679 19.0679 19.7529 19.7529 k = 0.5000 0.5000 0.3980 ( 2732 PWs) bands (ev): -64.4688 -64.4688 -34.2389 -34.2389 -33.0352 -33.0352 -33.0333 -33.0333 8.4909 8.4909 8.5647 8.5647 9.4311 9.4311 11.1380 11.1380 11.7042 11.7042 12.1390 12.1390 12.4715 12.4715 12.5462 12.5462 14.5645 14.5645 14.6320 14.6320 17.7387 17.7387 19.2041 19.2041 19.9131 19.9131 k = 0.5000 0.5000 0.4082 ( 2728 PWs) bands (ev): -64.4680 -64.4680 -34.2390 -34.2390 -33.0352 -33.0352 -33.0336 -33.0336 8.4963 8.4963 8.5561 8.5561 9.4264 9.4264 11.2201 11.2201 11.7062 11.7062 12.1221 12.1221 12.4569 12.4569 12.5268 12.5268 14.5895 14.5895 14.6327 14.6327 17.7430 17.7430 19.3322 19.3322 20.0706 20.0706 k = 0.5000 0.5000 0.4184 ( 2728 PWs) bands (ev): -64.4679 -64.4679 -34.2391 -34.2391 -33.0352 -33.0352 -33.0338 -33.0338 8.5011 8.5011 8.5483 8.5483 9.4225 9.4225 11.2996 11.2996 11.7080 11.7080 12.1052 12.1052 12.4433 12.4433 12.5063 12.5063 14.6025 14.6025 14.6334 14.6334 17.7478 17.7478 19.4528 19.4528 20.2269 20.2269 k = 0.5000 0.5000 0.4286 ( 2736 PWs) bands (ev): -64.4692 -64.4692 -34.2392 -34.2392 -33.0352 -33.0352 -33.0341 -33.0341 8.5051 8.5051 8.5412 8.5412 9.4192 9.4192 11.3748 11.3748 11.7096 11.7096 12.0866 12.0866 12.4295 12.4295 12.4812 12.4812 14.6107 14.6107 14.6272 14.6272 17.7517 17.7517 19.5621 19.5621 20.3806 20.3806 k = 0.5000 0.5000 0.4388 ( 2736 PWs) bands (ev): -64.4691 -64.4691 -34.2393 -34.2393 -33.0352 -33.0352 -33.0343 -33.0343 8.5085 8.5085 8.5350 8.5350 9.4164 9.4164 11.4473 11.4473 11.7110 11.7110 12.0697 12.0697 12.4192 12.4192 12.4600 12.4600 14.6212 14.6212 14.6278 14.6278 17.7570 17.7570 19.6612 19.6612 20.5332 20.5332 k = 0.5000 0.5000 0.4490 ( 2752 PWs) bands (ev): -64.4719 -64.4719 -34.2395 -34.2395 -33.0353 -33.0353 -33.0346 -33.0346 8.5112 8.5112 8.5297 8.5297 9.4142 9.4142 11.5135 11.5135 11.7122 11.7122 12.0468 12.0468 12.4040 12.4040 12.4313 12.4313 14.6176 14.6176 14.6270 14.6270 17.7610 17.7610 19.7389 19.7389 20.6773 20.6773 k = 0.5000 0.5000 0.4592 ( 2760 PWs) bands (ev): -64.4732 -64.4732 -34.2395 -34.2395 -33.0353 -33.0353 -33.0348 -33.0348 8.5135 8.5135 8.5252 8.5252 9.4125 9.4125 11.5750 11.5750 11.7132 11.7132 12.0252 12.0252 12.3923 12.3923 12.4080 12.4080 14.6147 14.6147 14.6344 14.6344 17.7657 17.7657 19.8016 19.8016 20.8162 20.8162 k = 0.5000 0.5000 0.4694 ( 2768 PWs) bands (ev): -64.4745 -64.4745 -34.2396 -34.2396 -33.0353 -33.0353 -33.0350 -33.0350 8.5151 8.5151 8.5218 8.5218 9.4112 9.4112 11.6295 11.6295 11.7140 11.7140 12.0035 12.0035 12.3812 12.3812 12.3891 12.3891 14.6092 14.6092 14.6402 14.6402 17.7700 17.7700 19.8470 19.8470 20.9434 20.9434 k = 0.5000 0.5000 0.4796 ( 2800 PWs) bands (ev): -64.4802 -64.4802 -34.2398 -34.2398 -33.0354 -33.0354 -33.0353 -33.0353 8.5163 8.5163 8.5193 8.5193 9.4103 9.4103 11.6736 11.6736 11.7146 11.7146 11.9757 11.9757 12.3600 12.3600 12.3683 12.3683 14.6031 14.6031 14.6061 14.6061 17.7732 17.7732 19.8670 19.8670 21.0419 21.0419 k = 0.5000 0.5000 0.4898 ( 2800 PWs) bands (ev): -64.4802 -64.4802 -34.2398 -34.2398 -33.0354 -33.0354 -33.0354 -33.0354 8.5170 8.5170 8.5178 8.5178 9.4098 9.4098 11.7040 11.7040 11.7150 11.7150 11.9623 11.9623 12.3575 12.3575 12.3596 12.3596 14.6054 14.6054 14.6062 14.6062 17.7753 17.7753 19.8858 19.8858 21.1210 21.1210 k = 0.5000 0.5000 0.5000 ( 2800 PWs) bands (ev): -64.4802 -64.4802 -34.2398 -34.2398 -33.0354 -33.0354 -33.0354 -33.0354 8.5173 8.5173 8.5173 8.5173 9.4096 9.4096 11.7151 11.7151 11.7151 11.7151 11.9571 11.9571 12.3567 12.3567 12.3567 12.3567 14.6062 14.6062 14.6062 14.6062 17.7760 17.7760 19.8919 19.8919 21.1503 21.1503 Writing output data file MnAu.save init_run : 0.11s CPU 0.21s WALL ( 1 calls) electrons : 68.62s CPU 70.12s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 68.61s CPU 70.11s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.03s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.03s WALL ( 376 calls) cegterg : 63.78s CPU 64.92s WALL ( 432 calls) Called by sum_band: Called by *egterg: h_psi : 31.11s CPU 31.87s WALL ( 7166 calls) s_psi : 0.96s CPU 0.99s WALL ( 7166 calls) g_psi : 0.08s CPU 0.11s WALL ( 6358 calls) cdiaghg : 28.84s CPU 29.40s WALL ( 6734 calls) cegterg:over : 2.60s CPU 2.48s WALL ( 6358 calls) cegterg:upda : 1.62s CPU 1.72s WALL ( 6358 calls) cegterg:last : 1.05s CPU 1.04s WALL ( 1303 calls) cdiaghg:chol : 1.48s CPU 1.47s WALL ( 6734 calls) cdiaghg:inve : 0.78s CPU 0.87s WALL ( 6734 calls) cdiaghg:para : 1.69s CPU 1.66s WALL ( 13468 calls) Called by h_psi: h_psi:vloc : 27.54s CPU 28.26s WALL ( 7166 calls) h_psi:vnl : 3.53s CPU 3.57s WALL ( 7166 calls) add_vuspsi : 1.91s CPU 1.95s WALL ( 7166 calls) General routines calbec : 1.60s CPU 1.60s WALL ( 7166 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 25.64s CPU 26.53s WALL ( 581724 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.12s CPU 0.13s WALL ( 752 calls) Parallel routines fft_scatter : 13.31s CPU 13.75s WALL ( 581747 calls) PWSCF : 1m18.66s CPU 1m30.57s WALL This run was terminated on: 13:35: 5 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=