Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 19:40:26 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: ./MgHg.save/ file Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S renormalized file Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P 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 39 22 6 1089 458 78 Max 40 23 7 1093 472 83 Sum 1405 793 241 39223 16831 2897 bravais-lattice index = 14 lattice parameter (alat) = 6.5007 a.u. unit-cell volume = 274.7083 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 22.00 number of Kohn-Sham states= 30 kinetic-energy cutoff = 59.0000 Ry charge density cutoff = 416.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.500657 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.000000 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 1.000000 ) PseudoPot. # 1 for Hg read from file: /users/gautes/Pseudo/Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: a7fd98bfb2640362c6e2ed76594f1960 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Mg read from file: /users/gautes/Pseudo/Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 99618f2d1dea131ec68d28ce241ef835 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1129 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Hg 12.00 200.59000 Hg( 1.00) Mg 10.00 24.30500 Mg( 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= 354 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 2) = ( 0.0000000 0.0108696 -0.0000000), wk = 0.0028249 k( 3) = ( 0.0000000 0.0217391 -0.0000000), wk = 0.0028249 k( 4) = ( 0.0000000 0.0326087 -0.0000000), wk = 0.0028249 k( 5) = ( 0.0000000 0.0434783 -0.0000000), wk = 0.0028249 k( 6) = ( 0.0000000 0.0543478 -0.0000000), wk = 0.0028249 k( 7) = ( 0.0000000 0.0652174 -0.0000000), wk = 0.0028249 k( 8) = ( 0.0000000 0.0760870 -0.0000000), wk = 0.0028249 k( 9) = ( 0.0000000 0.0869565 -0.0000000), wk = 0.0028249 k( 10) = ( 0.0000000 0.0978261 -0.0000000), wk = 0.0028249 k( 11) = ( 0.0000000 0.1086957 -0.0000000), wk = 0.0028249 k( 12) = ( 0.0000000 0.1195652 -0.0000000), wk = 0.0028249 k( 13) = ( 0.0000000 0.1304348 -0.0000000), wk = 0.0028249 k( 14) = ( 0.0000000 0.1413043 -0.0000000), wk = 0.0028249 k( 15) = ( 0.0000000 0.1521739 -0.0000000), wk = 0.0028249 k( 16) = ( 0.0000000 0.1630435 -0.0000000), wk = 0.0028249 k( 17) = ( 0.0000000 0.1739130 -0.0000000), wk = 0.0028249 k( 18) = ( 0.0000000 0.1847826 -0.0000000), wk = 0.0028249 k( 19) = ( 0.0000000 0.1956522 -0.0000000), wk = 0.0028249 k( 20) = ( 0.0000000 0.2065217 -0.0000000), wk = 0.0028249 k( 21) = ( 0.0000000 0.2173913 -0.0000000), wk = 0.0028249 k( 22) = ( 0.0000000 0.2282609 -0.0000000), wk = 0.0028249 k( 23) = ( 0.0000000 0.2391304 -0.0000000), wk = 0.0028249 k( 24) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0028249 k( 25) = ( 0.0000000 0.2608696 -0.0000000), wk = 0.0028249 k( 26) = ( 0.0000000 0.2717391 -0.0000000), wk = 0.0028249 k( 27) = ( 0.0000000 0.2826087 -0.0000000), wk = 0.0028249 k( 28) = ( 0.0000000 0.2934783 -0.0000000), wk = 0.0028249 k( 29) = ( 0.0000000 0.3043478 -0.0000000), wk = 0.0028249 k( 30) = ( 0.0000000 0.3152174 -0.0000000), wk = 0.0028249 k( 31) = ( 0.0000000 0.3260870 -0.0000000), wk = 0.0028249 k( 32) = ( 0.0000000 0.3369565 -0.0000000), wk = 0.0028249 k( 33) = ( 0.0000000 0.3478261 -0.0000000), wk = 0.0028249 k( 34) = ( 0.0000000 0.3586956 -0.0000000), wk = 0.0028249 k( 35) = ( 0.0000000 0.3695652 -0.0000000), wk = 0.0028249 k( 36) = ( 0.0000000 0.3804348 -0.0000000), wk = 0.0028249 k( 37) = ( 0.0000000 0.3913044 -0.0000000), wk = 0.0028249 k( 38) = ( 0.0000000 0.4021739 -0.0000000), wk = 0.0028249 k( 39) = ( 0.0000000 0.4130435 -0.0000000), wk = 0.0028249 k( 40) = ( 0.0000000 0.4239130 -0.0000000), wk = 0.0028249 k( 41) = ( 0.0000000 0.4347826 -0.0000000), wk = 0.0028249 k( 42) = ( 0.0000000 0.4456522 -0.0000000), wk = 0.0028249 k( 43) = ( 0.0000000 0.4565217 -0.0000000), wk = 0.0028249 k( 44) = ( 0.0000000 0.4673913 -0.0000000), wk = 0.0028249 k( 45) = ( 0.0000000 0.4782609 -0.0000000), wk = 0.0028249 k( 46) = ( 0.0000000 0.4891304 -0.0000000), wk = 0.0028249 k( 47) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028249 k( 48) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028249 k( 49) = ( 0.0108696 0.5000000 -0.0000000), wk = 0.0028249 k( 50) = ( 0.0217391 0.5000000 -0.0000000), wk = 0.0028249 k( 51) = ( 0.0326087 0.5000000 -0.0000000), wk = 0.0028249 k( 52) = ( 0.0434783 0.5000000 -0.0000000), wk = 0.0028249 k( 53) = ( 0.0543478 0.5000000 -0.0000000), wk = 0.0028249 k( 54) = ( 0.0652174 0.5000000 -0.0000000), wk = 0.0028249 k( 55) = ( 0.0760870 0.5000000 -0.0000000), wk = 0.0028249 k( 56) = ( 0.0869565 0.5000000 -0.0000000), wk = 0.0028249 k( 57) = ( 0.0978261 0.5000000 -0.0000000), wk = 0.0028249 k( 58) = ( 0.1086957 0.5000000 -0.0000000), wk = 0.0028249 k( 59) = ( 0.1195652 0.5000000 -0.0000000), wk = 0.0028249 k( 60) = ( 0.1304348 0.5000000 -0.0000000), wk = 0.0028249 k( 61) = ( 0.1413043 0.5000000 -0.0000000), wk = 0.0028249 k( 62) = ( 0.1521739 0.5000000 -0.0000000), wk = 0.0028249 k( 63) = ( 0.1630435 0.5000000 -0.0000000), wk = 0.0028249 k( 64) = ( 0.1739130 0.5000000 -0.0000000), wk = 0.0028249 k( 65) = ( 0.1847826 0.5000000 -0.0000000), wk = 0.0028249 k( 66) = ( 0.1956522 0.5000000 -0.0000000), wk = 0.0028249 k( 67) = ( 0.2065217 0.5000000 -0.0000000), wk = 0.0028249 k( 68) = ( 0.2173913 0.5000000 -0.0000000), wk = 0.0028249 k( 69) = ( 0.2282609 0.5000000 -0.0000000), wk = 0.0028249 k( 70) = ( 0.2391304 0.5000000 -0.0000000), wk = 0.0028249 k( 71) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0028249 k( 72) = ( 0.2608696 0.5000000 -0.0000000), wk = 0.0028249 k( 73) = ( 0.2717391 0.5000000 -0.0000000), wk = 0.0028249 k( 74) = ( 0.2826087 0.5000000 -0.0000000), wk = 0.0028249 k( 75) = ( 0.2934783 0.5000000 -0.0000000), wk = 0.0028249 k( 76) = ( 0.3043478 0.5000000 -0.0000000), wk = 0.0028249 k( 77) = ( 0.3152174 0.5000000 -0.0000000), wk = 0.0028249 k( 78) = ( 0.3260870 0.5000000 -0.0000000), wk = 0.0028249 k( 79) = ( 0.3369565 0.5000000 -0.0000000), wk = 0.0028249 k( 80) = ( 0.3478261 0.5000000 -0.0000000), wk = 0.0028249 k( 81) = ( 0.3586956 0.5000000 -0.0000000), wk = 0.0028249 k( 82) = ( 0.3695652 0.5000000 -0.0000000), wk = 0.0028249 k( 83) = ( 0.3804348 0.5000000 -0.0000000), wk = 0.0028249 k( 84) = ( 0.3913044 0.5000000 -0.0000000), wk = 0.0028249 k( 85) = ( 0.4021739 0.5000000 -0.0000000), wk = 0.0028249 k( 86) = ( 0.4130435 0.5000000 -0.0000000), wk = 0.0028249 k( 87) = ( 0.4239130 0.5000000 -0.0000000), wk = 0.0028249 k( 88) = ( 0.4347826 0.5000000 -0.0000000), wk = 0.0028249 k( 89) = ( 0.4456522 0.5000000 -0.0000000), wk = 0.0028249 k( 90) = ( 0.4565217 0.5000000 -0.0000000), wk = 0.0028249 k( 91) = ( 0.4673913 0.5000000 -0.0000000), wk = 0.0028249 k( 92) = ( 0.4782609 0.5000000 -0.0000000), wk = 0.0028249 k( 93) = ( 0.4891304 0.5000000 -0.0000000), wk = 0.0028249 k( 94) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028249 k( 95) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028249 k( 96) = ( 0.4923077 0.4923077 -0.0000000), wk = 0.0028249 k( 97) = ( 0.4846154 0.4846154 -0.0000000), wk = 0.0028249 k( 98) = ( 0.4769231 0.4769231 -0.0000000), wk = 0.0028249 k( 99) = ( 0.4692308 0.4692308 -0.0000000), wk = 0.0028249 k( 100) = ( 0.4615385 0.4615385 -0.0000000), wk = 0.0028249 k( 101) = ( 0.4538462 0.4538461 -0.0000000), wk = 0.0028249 k( 102) = ( 0.4461539 0.4461538 -0.0000000), wk = 0.0028249 k( 103) = ( 0.4384615 0.4384615 -0.0000000), wk = 0.0028249 k( 104) = ( 0.4307692 0.4307692 -0.0000000), wk = 0.0028249 k( 105) = ( 0.4230769 0.4230769 -0.0000000), wk = 0.0028249 k( 106) = ( 0.4153846 0.4153846 -0.0000000), wk = 0.0028249 k( 107) = ( 0.4076923 0.4076923 -0.0000000), wk = 0.0028249 k( 108) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0028249 k( 109) = ( 0.3923077 0.3923077 -0.0000000), wk = 0.0028249 k( 110) = ( 0.3846154 0.3846154 -0.0000000), wk = 0.0028249 k( 111) = ( 0.3769231 0.3769231 -0.0000000), wk = 0.0028249 k( 112) = ( 0.3692308 0.3692308 -0.0000000), wk = 0.0028249 k( 113) = ( 0.3615385 0.3615385 -0.0000000), wk = 0.0028249 k( 114) = ( 0.3538462 0.3538461 -0.0000000), wk = 0.0028249 k( 115) = ( 0.3461538 0.3461538 -0.0000000), wk = 0.0028249 k( 116) = ( 0.3384615 0.3384615 -0.0000000), wk = 0.0028249 k( 117) = ( 0.3307692 0.3307692 -0.0000000), wk = 0.0028249 k( 118) = ( 0.3230769 0.3230769 -0.0000000), wk = 0.0028249 k( 119) = ( 0.3153846 0.3153846 -0.0000000), wk = 0.0028249 k( 120) = ( 0.3076923 0.3076923 -0.0000000), wk = 0.0028249 k( 121) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0028249 k( 122) = ( 0.2923077 0.2923077 -0.0000000), wk = 0.0028249 k( 123) = ( 0.2846154 0.2846154 -0.0000000), wk = 0.0028249 k( 124) = ( 0.2769231 0.2769231 -0.0000000), wk = 0.0028249 k( 125) = ( 0.2692308 0.2692308 -0.0000000), wk = 0.0028249 k( 126) = ( 0.2615385 0.2615385 -0.0000000), wk = 0.0028249 k( 127) = ( 0.2538461 0.2538461 -0.0000000), wk = 0.0028249 k( 128) = ( 0.2461539 0.2461538 -0.0000000), wk = 0.0028249 k( 129) = ( 0.2384615 0.2384615 -0.0000000), wk = 0.0028249 k( 130) = ( 0.2307692 0.2307692 -0.0000000), wk = 0.0028249 k( 131) = ( 0.2230769 0.2230769 -0.0000000), wk = 0.0028249 k( 132) = ( 0.2153846 0.2153846 -0.0000000), wk = 0.0028249 k( 133) = ( 0.2076923 0.2076923 -0.0000000), wk = 0.0028249 k( 134) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0028249 k( 135) = ( 0.1923077 0.1923077 -0.0000000), wk = 0.0028249 k( 136) = ( 0.1846154 0.1846154 -0.0000000), wk = 0.0028249 k( 137) = ( 0.1769231 0.1769231 -0.0000000), wk = 0.0028249 k( 138) = ( 0.1692308 0.1692308 -0.0000000), wk = 0.0028249 k( 139) = ( 0.1615385 0.1615385 -0.0000000), wk = 0.0028249 k( 140) = ( 0.1538461 0.1538461 -0.0000000), wk = 0.0028249 k( 141) = ( 0.1461539 0.1461538 -0.0000000), wk = 0.0028249 k( 142) = ( 0.1384615 0.1384615 -0.0000000), wk = 0.0028249 k( 143) = ( 0.1307692 0.1307692 -0.0000000), wk = 0.0028249 k( 144) = ( 0.1230769 0.1230769 -0.0000000), wk = 0.0028249 k( 145) = ( 0.1153846 0.1153846 -0.0000000), wk = 0.0028249 k( 146) = ( 0.1076923 0.1076923 -0.0000000), wk = 0.0028249 k( 147) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0028249 k( 148) = ( 0.0923077 0.0923077 -0.0000000), wk = 0.0028249 k( 149) = ( 0.0846154 0.0846154 -0.0000000), wk = 0.0028249 k( 150) = ( 0.0769231 0.0769231 -0.0000000), wk = 0.0028249 k( 151) = ( 0.0692308 0.0692308 -0.0000000), wk = 0.0028249 k( 152) = ( 0.0615385 0.0615385 -0.0000000), wk = 0.0028249 k( 153) = ( 0.0538462 0.0538461 -0.0000000), wk = 0.0028249 k( 154) = ( 0.0461539 0.0461538 -0.0000000), wk = 0.0028249 k( 155) = ( 0.0384615 0.0384615 -0.0000000), wk = 0.0028249 k( 156) = ( 0.0307692 0.0307692 -0.0000000), wk = 0.0028249 k( 157) = ( 0.0230769 0.0230769 -0.0000000), wk = 0.0028249 k( 158) = ( 0.0153846 0.0153846 -0.0000000), wk = 0.0028249 k( 159) = ( 0.0076923 0.0076923 -0.0000000), wk = 0.0028249 k( 160) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 161) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 162) = ( 0.0062500 0.0062500 0.0062500), wk = 0.0028249 k( 163) = ( 0.0125000 0.0125000 0.0125000), wk = 0.0028249 k( 164) = ( 0.0187500 0.0187500 0.0187500), wk = 0.0028249 k( 165) = ( 0.0250000 0.0250000 0.0250000), wk = 0.0028249 k( 166) = ( 0.0312500 0.0312500 0.0312500), wk = 0.0028249 k( 167) = ( 0.0375000 0.0375000 0.0375000), wk = 0.0028249 k( 168) = ( 0.0437500 0.0437500 0.0437500), wk = 0.0028249 k( 169) = ( 0.0500000 0.0500000 0.0500000), wk = 0.0028249 k( 170) = ( 0.0562500 0.0562500 0.0562500), wk = 0.0028249 k( 171) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0028249 k( 172) = ( 0.0687500 0.0687500 0.0687500), wk = 0.0028249 k( 173) = ( 0.0750000 0.0750000 0.0750000), wk = 0.0028249 k( 174) = ( 0.0812500 0.0812500 0.0812500), wk = 0.0028249 k( 175) = ( 0.0875000 0.0875000 0.0875000), wk = 0.0028249 k( 176) = ( 0.0937500 0.0937500 0.0937500), wk = 0.0028249 k( 177) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0028249 k( 178) = ( 0.1062500 0.1062500 0.1062500), wk = 0.0028249 k( 179) = ( 0.1125000 0.1125000 0.1125000), wk = 0.0028249 k( 180) = ( 0.1187500 0.1187500 0.1187500), wk = 0.0028249 k( 181) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0028249 k( 182) = ( 0.1312500 0.1312500 0.1312500), wk = 0.0028249 k( 183) = ( 0.1375000 0.1375000 0.1375000), wk = 0.0028249 k( 184) = ( 0.1437500 0.1437500 0.1437500), wk = 0.0028249 k( 185) = ( 0.1500000 0.1500000 0.1500000), wk = 0.0028249 k( 186) = ( 0.1562500 0.1562500 0.1562500), wk = 0.0028249 k( 187) = ( 0.1625000 0.1625000 0.1625000), wk = 0.0028249 k( 188) = ( 0.1687500 0.1687500 0.1687500), wk = 0.0028249 k( 189) = ( 0.1750000 0.1750000 0.1750000), wk = 0.0028249 k( 190) = ( 0.1812500 0.1812500 0.1812500), wk = 0.0028249 k( 191) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0028249 k( 192) = ( 0.1937500 0.1937500 0.1937500), wk = 0.0028249 k( 193) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0028249 k( 194) = ( 0.2062500 0.2062500 0.2062500), wk = 0.0028249 k( 195) = ( 0.2125000 0.2125000 0.2125000), wk = 0.0028249 k( 196) = ( 0.2187500 0.2187500 0.2187500), wk = 0.0028249 k( 197) = ( 0.2250000 0.2250000 0.2250000), wk = 0.0028249 k( 198) = ( 0.2312500 0.2312500 0.2312500), wk = 0.0028249 k( 199) = ( 0.2375000 0.2375000 0.2375000), wk = 0.0028249 k( 200) = ( 0.2437500 0.2437500 0.2437500), wk = 0.0028249 k( 201) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028249 k( 202) = ( 0.2562500 0.2562500 0.2562500), wk = 0.0028249 k( 203) = ( 0.2625000 0.2625000 0.2625000), wk = 0.0028249 k( 204) = ( 0.2687500 0.2687500 0.2687500), wk = 0.0028249 k( 205) = ( 0.2750000 0.2750000 0.2750000), wk = 0.0028249 k( 206) = ( 0.2812500 0.2812500 0.2812500), wk = 0.0028249 k( 207) = ( 0.2875000 0.2875000 0.2875000), wk = 0.0028249 k( 208) = ( 0.2937500 0.2937500 0.2937500), wk = 0.0028249 k( 209) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0028249 k( 210) = ( 0.3062500 0.3062500 0.3062500), wk = 0.0028249 k( 211) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0028249 k( 212) = ( 0.3187500 0.3187500 0.3187500), wk = 0.0028249 k( 213) = ( 0.3250000 0.3250000 0.3250000), wk = 0.0028249 k( 214) = ( 0.3312500 0.3312500 0.3312500), wk = 0.0028249 k( 215) = ( 0.3375000 0.3375000 0.3375000), wk = 0.0028249 k( 216) = ( 0.3437500 0.3437500 0.3437500), wk = 0.0028249 k( 217) = ( 0.3500000 0.3500000 0.3500000), wk = 0.0028249 k( 218) = ( 0.3562500 0.3562500 0.3562500), wk = 0.0028249 k( 219) = ( 0.3625000 0.3625000 0.3625000), wk = 0.0028249 k( 220) = ( 0.3687500 0.3687500 0.3687500), wk = 0.0028249 k( 221) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0028249 k( 222) = ( 0.3812500 0.3812500 0.3812500), wk = 0.0028249 k( 223) = ( 0.3875000 0.3875000 0.3875000), wk = 0.0028249 k( 224) = ( 0.3937500 0.3937500 0.3937500), wk = 0.0028249 k( 225) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0028249 k( 226) = ( 0.4062500 0.4062500 0.4062500), wk = 0.0028249 k( 227) = ( 0.4125000 0.4125000 0.4125000), wk = 0.0028249 k( 228) = ( 0.4187500 0.4187500 0.4187500), wk = 0.0028249 k( 229) = ( 0.4250000 0.4250000 0.4250000), wk = 0.0028249 k( 230) = ( 0.4312500 0.4312500 0.4312500), wk = 0.0028249 k( 231) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0028249 k( 232) = ( 0.4437500 0.4437500 0.4437500), wk = 0.0028249 k( 233) = ( 0.4500000 0.4500000 0.4500000), wk = 0.0028249 k( 234) = ( 0.4562500 0.4562500 0.4562500), wk = 0.0028249 k( 235) = ( 0.4625000 0.4625000 0.4625000), wk = 0.0028249 k( 236) = ( 0.4687500 0.4687500 0.4687500), wk = 0.0028249 k( 237) = ( 0.4750000 0.4750000 0.4750000), wk = 0.0028249 k( 238) = ( 0.4812500 0.4812500 0.4812500), wk = 0.0028249 k( 239) = ( 0.4875000 0.4875000 0.4875000), wk = 0.0028249 k( 240) = ( 0.4937500 0.4937500 0.4937500), wk = 0.0028249 k( 241) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028249 k( 242) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028249 k( 243) = ( 0.4923077 0.5000000 0.4923077), wk = 0.0028249 k( 244) = ( 0.4846154 0.5000000 0.4846154), wk = 0.0028249 k( 245) = ( 0.4769231 0.5000000 0.4769231), wk = 0.0028249 k( 246) = ( 0.4692308 0.5000000 0.4692308), wk = 0.0028249 k( 247) = ( 0.4615385 0.5000000 0.4615385), wk = 0.0028249 k( 248) = ( 0.4538462 0.5000000 0.4538461), wk = 0.0028249 k( 249) = ( 0.4461539 0.5000000 0.4461538), wk = 0.0028249 k( 250) = ( 0.4384615 0.5000000 0.4384615), wk = 0.0028249 k( 251) = ( 0.4307692 0.5000000 0.4307692), wk = 0.0028249 k( 252) = ( 0.4230769 0.5000000 0.4230769), wk = 0.0028249 k( 253) = ( 0.4153846 0.5000000 0.4153846), wk = 0.0028249 k( 254) = ( 0.4076923 0.5000000 0.4076923), wk = 0.0028249 k( 255) = ( 0.4000000 0.5000000 0.4000000), wk = 0.0028249 k( 256) = ( 0.3923077 0.5000000 0.3923077), wk = 0.0028249 k( 257) = ( 0.3846154 0.5000000 0.3846154), wk = 0.0028249 k( 258) = ( 0.3769231 0.5000000 0.3769231), wk = 0.0028249 k( 259) = ( 0.3692308 0.5000000 0.3692308), wk = 0.0028249 k( 260) = ( 0.3615385 0.5000000 0.3615385), wk = 0.0028249 k( 261) = ( 0.3538462 0.5000000 0.3538461), wk = 0.0028249 k( 262) = ( 0.3461538 0.5000000 0.3461538), wk = 0.0028249 k( 263) = ( 0.3384615 0.5000000 0.3384615), wk = 0.0028249 k( 264) = ( 0.3307692 0.5000000 0.3307692), wk = 0.0028249 k( 265) = ( 0.3230769 0.5000000 0.3230769), wk = 0.0028249 k( 266) = ( 0.3153846 0.5000000 0.3153846), wk = 0.0028249 k( 267) = ( 0.3076923 0.5000000 0.3076923), wk = 0.0028249 k( 268) = ( 0.3000000 0.5000000 0.3000000), wk = 0.0028249 k( 269) = ( 0.2923077 0.5000000 0.2923077), wk = 0.0028249 k( 270) = ( 0.2846154 0.5000000 0.2846154), wk = 0.0028249 k( 271) = ( 0.2769231 0.5000000 0.2769231), wk = 0.0028249 k( 272) = ( 0.2692308 0.5000000 0.2692308), wk = 0.0028249 k( 273) = ( 0.2615385 0.5000000 0.2615385), wk = 0.0028249 k( 274) = ( 0.2538461 0.5000000 0.2538461), wk = 0.0028249 k( 275) = ( 0.2461539 0.5000000 0.2461538), wk = 0.0028249 k( 276) = ( 0.2384615 0.5000000 0.2384615), wk = 0.0028249 k( 277) = ( 0.2307692 0.5000000 0.2307692), wk = 0.0028249 k( 278) = ( 0.2230769 0.5000000 0.2230769), wk = 0.0028249 k( 279) = ( 0.2153846 0.5000000 0.2153846), wk = 0.0028249 k( 280) = ( 0.2076923 0.5000000 0.2076923), wk = 0.0028249 k( 281) = ( 0.2000000 0.5000000 0.2000000), wk = 0.0028249 k( 282) = ( 0.1923077 0.5000000 0.1923077), wk = 0.0028249 k( 283) = ( 0.1846154 0.5000000 0.1846154), wk = 0.0028249 k( 284) = ( 0.1769231 0.5000000 0.1769231), wk = 0.0028249 k( 285) = ( 0.1692308 0.5000000 0.1692308), wk = 0.0028249 k( 286) = ( 0.1615385 0.5000000 0.1615385), wk = 0.0028249 k( 287) = ( 0.1538461 0.5000000 0.1538461), wk = 0.0028249 k( 288) = ( 0.1461539 0.5000000 0.1461538), wk = 0.0028249 k( 289) = ( 0.1384615 0.5000000 0.1384615), wk = 0.0028249 k( 290) = ( 0.1307692 0.5000000 0.1307692), wk = 0.0028249 k( 291) = ( 0.1230769 0.5000000 0.1230769), wk = 0.0028249 k( 292) = ( 0.1153846 0.5000000 0.1153846), wk = 0.0028249 k( 293) = ( 0.1076923 0.5000000 0.1076923), wk = 0.0028249 k( 294) = ( 0.1000000 0.5000000 0.1000000), wk = 0.0028249 k( 295) = ( 0.0923077 0.5000000 0.0923077), wk = 0.0028249 k( 296) = ( 0.0846154 0.5000000 0.0846154), wk = 0.0028249 k( 297) = ( 0.0769231 0.5000000 0.0769231), wk = 0.0028249 k( 298) = ( 0.0692308 0.5000000 0.0692308), wk = 0.0028249 k( 299) = ( 0.0615385 0.5000000 0.0615385), wk = 0.0028249 k( 300) = ( 0.0538462 0.5000000 0.0538461), wk = 0.0028249 k( 301) = ( 0.0461539 0.5000000 0.0461538), wk = 0.0028249 k( 302) = ( 0.0384615 0.5000000 0.0384615), wk = 0.0028249 k( 303) = ( 0.0307692 0.5000000 0.0307692), wk = 0.0028249 k( 304) = ( 0.0230769 0.5000000 0.0230769), wk = 0.0028249 k( 305) = ( 0.0153846 0.5000000 0.0153846), wk = 0.0028249 k( 306) = ( 0.0076923 0.5000000 0.0076923), wk = 0.0028249 k( 307) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028249 k( 308) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028249 k( 309) = ( 0.5000000 0.5000000 0.0108696), wk = 0.0028249 k( 310) = ( 0.5000000 0.5000000 0.0217391), wk = 0.0028249 k( 311) = ( 0.5000000 0.5000000 0.0326087), wk = 0.0028249 k( 312) = ( 0.5000000 0.5000000 0.0434783), wk = 0.0028249 k( 313) = ( 0.5000000 0.5000000 0.0543478), wk = 0.0028249 k( 314) = ( 0.5000000 0.5000000 0.0652174), wk = 0.0028249 k( 315) = ( 0.5000000 0.5000000 0.0760870), wk = 0.0028249 k( 316) = ( 0.5000000 0.5000000 0.0869565), wk = 0.0028249 k( 317) = ( 0.5000000 0.5000000 0.0978261), wk = 0.0028249 k( 318) = ( 0.5000000 0.5000000 0.1086956), wk = 0.0028249 k( 319) = ( 0.5000000 0.5000000 0.1195652), wk = 0.0028249 k( 320) = ( 0.5000000 0.5000000 0.1304348), wk = 0.0028249 k( 321) = ( 0.5000000 0.5000000 0.1413043), wk = 0.0028249 k( 322) = ( 0.5000000 0.5000000 0.1521739), wk = 0.0028249 k( 323) = ( 0.5000000 0.5000000 0.1630435), wk = 0.0028249 k( 324) = ( 0.5000000 0.5000000 0.1739130), wk = 0.0028249 k( 325) = ( 0.5000000 0.5000000 0.1847826), wk = 0.0028249 k( 326) = ( 0.5000000 0.5000000 0.1956522), wk = 0.0028249 k( 327) = ( 0.5000000 0.5000000 0.2065217), wk = 0.0028249 k( 328) = ( 0.5000000 0.5000000 0.2173913), wk = 0.0028249 k( 329) = ( 0.5000000 0.5000000 0.2282609), wk = 0.0028249 k( 330) = ( 0.5000000 0.5000000 0.2391304), wk = 0.0028249 k( 331) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0028249 k( 332) = ( 0.5000000 0.5000000 0.2608696), wk = 0.0028249 k( 333) = ( 0.5000000 0.5000000 0.2717391), wk = 0.0028249 k( 334) = ( 0.5000000 0.5000000 0.2826087), wk = 0.0028249 k( 335) = ( 0.5000000 0.5000000 0.2934783), wk = 0.0028249 k( 336) = ( 0.5000000 0.5000000 0.3043478), wk = 0.0028249 k( 337) = ( 0.5000000 0.5000000 0.3152174), wk = 0.0028249 k( 338) = ( 0.5000000 0.5000000 0.3260870), wk = 0.0028249 k( 339) = ( 0.5000000 0.5000000 0.3369565), wk = 0.0028249 k( 340) = ( 0.5000000 0.5000000 0.3478261), wk = 0.0028249 k( 341) = ( 0.5000000 0.5000000 0.3586956), wk = 0.0028249 k( 342) = ( 0.5000000 0.5000000 0.3695652), wk = 0.0028249 k( 343) = ( 0.5000000 0.5000000 0.3804348), wk = 0.0028249 k( 344) = ( 0.5000000 0.5000000 0.3913043), wk = 0.0028249 k( 345) = ( 0.5000000 0.5000000 0.4021739), wk = 0.0028249 k( 346) = ( 0.5000000 0.5000000 0.4130435), wk = 0.0028249 k( 347) = ( 0.5000000 0.5000000 0.4239130), wk = 0.0028249 k( 348) = ( 0.5000000 0.5000000 0.4347826), wk = 0.0028249 k( 349) = ( 0.5000000 0.5000000 0.4456522), wk = 0.0028249 k( 350) = ( 0.5000000 0.5000000 0.4565217), wk = 0.0028249 k( 351) = ( 0.5000000 0.5000000 0.4673913), wk = 0.0028249 k( 352) = ( 0.5000000 0.5000000 0.4782609), wk = 0.0028249 k( 353) = ( 0.5000000 0.5000000 0.4891304), wk = 0.0028249 k( 354) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028249 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 2) = ( 0.0000000 0.0108696 0.0000000), wk = 0.0028249 k( 3) = ( 0.0000000 0.0217391 0.0000000), wk = 0.0028249 k( 4) = ( 0.0000000 0.0326087 0.0000000), wk = 0.0028249 k( 5) = ( 0.0000000 0.0434783 0.0000000), wk = 0.0028249 k( 6) = ( 0.0000000 0.0543478 0.0000000), wk = 0.0028249 k( 7) = ( 0.0000000 0.0652174 0.0000000), wk = 0.0028249 k( 8) = ( 0.0000000 0.0760870 0.0000000), wk = 0.0028249 k( 9) = ( 0.0000000 0.0869565 0.0000000), wk = 0.0028249 k( 10) = ( 0.0000000 0.0978261 0.0000000), wk = 0.0028249 k( 11) = ( 0.0000000 0.1086957 0.0000000), wk = 0.0028249 k( 12) = ( 0.0000000 0.1195652 0.0000000), wk = 0.0028249 k( 13) = ( 0.0000000 0.1304348 0.0000000), wk = 0.0028249 k( 14) = ( 0.0000000 0.1413043 0.0000000), wk = 0.0028249 k( 15) = ( 0.0000000 0.1521739 0.0000000), wk = 0.0028249 k( 16) = ( 0.0000000 0.1630435 0.0000000), wk = 0.0028249 k( 17) = ( 0.0000000 0.1739130 0.0000000), wk = 0.0028249 k( 18) = ( 0.0000000 0.1847826 0.0000000), wk = 0.0028249 k( 19) = ( 0.0000000 0.1956522 0.0000000), wk = 0.0028249 k( 20) = ( 0.0000000 0.2065217 0.0000000), wk = 0.0028249 k( 21) = ( 0.0000000 0.2173913 0.0000000), wk = 0.0028249 k( 22) = ( 0.0000000 0.2282609 0.0000000), wk = 0.0028249 k( 23) = ( 0.0000000 0.2391304 0.0000000), wk = 0.0028249 k( 24) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0028249 k( 25) = ( 0.0000000 0.2608696 0.0000000), wk = 0.0028249 k( 26) = ( 0.0000000 0.2717391 0.0000000), wk = 0.0028249 k( 27) = ( 0.0000000 0.2826087 0.0000000), wk = 0.0028249 k( 28) = ( 0.0000000 0.2934783 0.0000000), wk = 0.0028249 k( 29) = ( 0.0000000 0.3043478 0.0000000), wk = 0.0028249 k( 30) = ( 0.0000000 0.3152174 0.0000000), wk = 0.0028249 k( 31) = ( 0.0000000 0.3260870 0.0000000), wk = 0.0028249 k( 32) = ( 0.0000000 0.3369565 0.0000000), wk = 0.0028249 k( 33) = ( 0.0000000 0.3478261 0.0000000), wk = 0.0028249 k( 34) = ( 0.0000000 0.3586956 0.0000000), wk = 0.0028249 k( 35) = ( 0.0000000 0.3695652 0.0000000), wk = 0.0028249 k( 36) = ( 0.0000000 0.3804348 0.0000000), wk = 0.0028249 k( 37) = ( 0.0000000 0.3913044 0.0000000), wk = 0.0028249 k( 38) = ( 0.0000000 0.4021739 0.0000000), wk = 0.0028249 k( 39) = ( 0.0000000 0.4130435 0.0000000), wk = 0.0028249 k( 40) = ( 0.0000000 0.4239130 0.0000000), wk = 0.0028249 k( 41) = ( 0.0000000 0.4347826 0.0000000), wk = 0.0028249 k( 42) = ( 0.0000000 0.4456522 0.0000000), wk = 0.0028249 k( 43) = ( 0.0000000 0.4565217 0.0000000), wk = 0.0028249 k( 44) = ( 0.0000000 0.4673913 0.0000000), wk = 0.0028249 k( 45) = ( 0.0000000 0.4782609 0.0000000), wk = 0.0028249 k( 46) = ( 0.0000000 0.4891304 0.0000000), wk = 0.0028249 k( 47) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028249 k( 48) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028249 k( 49) = ( 0.0108696 0.5000000 0.0000000), wk = 0.0028249 k( 50) = ( 0.0217391 0.5000000 0.0000000), wk = 0.0028249 k( 51) = ( 0.0326087 0.5000000 0.0000000), wk = 0.0028249 k( 52) = ( 0.0434783 0.5000000 0.0000000), wk = 0.0028249 k( 53) = ( 0.0543478 0.5000000 0.0000000), wk = 0.0028249 k( 54) = ( 0.0652174 0.5000000 0.0000000), wk = 0.0028249 k( 55) = ( 0.0760870 0.5000000 0.0000000), wk = 0.0028249 k( 56) = ( 0.0869565 0.5000000 0.0000000), wk = 0.0028249 k( 57) = ( 0.0978261 0.5000000 0.0000000), wk = 0.0028249 k( 58) = ( 0.1086957 0.5000000 0.0000000), wk = 0.0028249 k( 59) = ( 0.1195652 0.5000000 0.0000000), wk = 0.0028249 k( 60) = ( 0.1304348 0.5000000 0.0000000), wk = 0.0028249 k( 61) = ( 0.1413043 0.5000000 0.0000000), wk = 0.0028249 k( 62) = ( 0.1521739 0.5000000 0.0000000), wk = 0.0028249 k( 63) = ( 0.1630435 0.5000000 0.0000000), wk = 0.0028249 k( 64) = ( 0.1739130 0.5000000 0.0000000), wk = 0.0028249 k( 65) = ( 0.1847826 0.5000000 0.0000000), wk = 0.0028249 k( 66) = ( 0.1956522 0.5000000 0.0000000), wk = 0.0028249 k( 67) = ( 0.2065217 0.5000000 0.0000000), wk = 0.0028249 k( 68) = ( 0.2173913 0.5000000 0.0000000), wk = 0.0028249 k( 69) = ( 0.2282609 0.5000000 0.0000000), wk = 0.0028249 k( 70) = ( 0.2391304 0.5000000 0.0000000), wk = 0.0028249 k( 71) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0028249 k( 72) = ( 0.2608696 0.5000000 0.0000000), wk = 0.0028249 k( 73) = ( 0.2717391 0.5000000 0.0000000), wk = 0.0028249 k( 74) = ( 0.2826087 0.5000000 -0.0000000), wk = 0.0028249 k( 75) = ( 0.2934783 0.5000000 0.0000000), wk = 0.0028249 k( 76) = ( 0.3043478 0.5000000 0.0000000), wk = 0.0028249 k( 77) = ( 0.3152174 0.5000000 -0.0000000), wk = 0.0028249 k( 78) = ( 0.3260870 0.5000000 0.0000000), wk = 0.0028249 k( 79) = ( 0.3369565 0.5000000 0.0000000), wk = 0.0028249 k( 80) = ( 0.3478261 0.5000000 0.0000000), wk = 0.0028249 k( 81) = ( 0.3586956 0.5000000 0.0000000), wk = 0.0028249 k( 82) = ( 0.3695652 0.5000000 0.0000000), wk = 0.0028249 k( 83) = ( 0.3804348 0.5000000 0.0000000), wk = 0.0028249 k( 84) = ( 0.3913044 0.5000000 0.0000000), wk = 0.0028249 k( 85) = ( 0.4021739 0.5000000 0.0000000), wk = 0.0028249 k( 86) = ( 0.4130435 0.5000000 0.0000000), wk = 0.0028249 k( 87) = ( 0.4239130 0.5000000 0.0000000), wk = 0.0028249 k( 88) = ( 0.4347826 0.5000000 0.0000000), wk = 0.0028249 k( 89) = ( 0.4456522 0.5000000 0.0000000), wk = 0.0028249 k( 90) = ( 0.4565217 0.5000000 0.0000000), wk = 0.0028249 k( 91) = ( 0.4673913 0.5000000 0.0000000), wk = 0.0028249 k( 92) = ( 0.4782609 0.5000000 0.0000000), wk = 0.0028249 k( 93) = ( 0.4891304 0.5000000 0.0000000), wk = 0.0028249 k( 94) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0028249 k( 95) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0028249 k( 96) = ( 0.4923077 0.4923077 0.0000000), wk = 0.0028249 k( 97) = ( 0.4846154 0.4846154 0.0000000), wk = 0.0028249 k( 98) = ( 0.4769231 0.4769231 0.0000000), wk = 0.0028249 k( 99) = ( 0.4692308 0.4692308 0.0000000), wk = 0.0028249 k( 100) = ( 0.4615385 0.4615385 0.0000000), wk = 0.0028249 k( 101) = ( 0.4538462 0.4538462 0.0000000), wk = 0.0028249 k( 102) = ( 0.4461539 0.4461539 0.0000000), wk = 0.0028249 k( 103) = ( 0.4384615 0.4384615 0.0000000), wk = 0.0028249 k( 104) = ( 0.4307692 0.4307692 0.0000000), wk = 0.0028249 k( 105) = ( 0.4230769 0.4230769 0.0000000), wk = 0.0028249 k( 106) = ( 0.4153846 0.4153846 0.0000000), wk = 0.0028249 k( 107) = ( 0.4076923 0.4076923 0.0000000), wk = 0.0028249 k( 108) = ( 0.4000000 0.4000000 0.0000000), wk = 0.0028249 k( 109) = ( 0.3923077 0.3923077 0.0000000), wk = 0.0028249 k( 110) = ( 0.3846154 0.3846154 0.0000000), wk = 0.0028249 k( 111) = ( 0.3769231 0.3769231 0.0000000), wk = 0.0028249 k( 112) = ( 0.3692308 0.3692308 0.0000000), wk = 0.0028249 k( 113) = ( 0.3615385 0.3615385 0.0000000), wk = 0.0028249 k( 114) = ( 0.3538462 0.3538462 0.0000000), wk = 0.0028249 k( 115) = ( 0.3461538 0.3461538 0.0000000), wk = 0.0028249 k( 116) = ( 0.3384615 0.3384615 0.0000000), wk = 0.0028249 k( 117) = ( 0.3307692 0.3307692 0.0000000), wk = 0.0028249 k( 118) = ( 0.3230769 0.3230769 0.0000000), wk = 0.0028249 k( 119) = ( 0.3153846 0.3153846 0.0000000), wk = 0.0028249 k( 120) = ( 0.3076923 0.3076923 0.0000000), wk = 0.0028249 k( 121) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0028249 k( 122) = ( 0.2923077 0.2923077 0.0000000), wk = 0.0028249 k( 123) = ( 0.2846154 0.2846154 0.0000000), wk = 0.0028249 k( 124) = ( 0.2769231 0.2769231 0.0000000), wk = 0.0028249 k( 125) = ( 0.2692308 0.2692308 0.0000000), wk = 0.0028249 k( 126) = ( 0.2615385 0.2615385 0.0000000), wk = 0.0028249 k( 127) = ( 0.2538461 0.2538461 0.0000000), wk = 0.0028249 k( 128) = ( 0.2461539 0.2461539 0.0000000), wk = 0.0028249 k( 129) = ( 0.2384615 0.2384615 0.0000000), wk = 0.0028249 k( 130) = ( 0.2307692 0.2307692 0.0000000), wk = 0.0028249 k( 131) = ( 0.2230769 0.2230769 0.0000000), wk = 0.0028249 k( 132) = ( 0.2153846 0.2153846 0.0000000), wk = 0.0028249 k( 133) = ( 0.2076923 0.2076923 0.0000000), wk = 0.0028249 k( 134) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0028249 k( 135) = ( 0.1923077 0.1923077 0.0000000), wk = 0.0028249 k( 136) = ( 0.1846154 0.1846154 0.0000000), wk = 0.0028249 k( 137) = ( 0.1769231 0.1769231 0.0000000), wk = 0.0028249 k( 138) = ( 0.1692308 0.1692308 0.0000000), wk = 0.0028249 k( 139) = ( 0.1615385 0.1615385 0.0000000), wk = 0.0028249 k( 140) = ( 0.1538461 0.1538461 0.0000000), wk = 0.0028249 k( 141) = ( 0.1461539 0.1461539 0.0000000), wk = 0.0028249 k( 142) = ( 0.1384615 0.1384615 0.0000000), wk = 0.0028249 k( 143) = ( 0.1307692 0.1307692 0.0000000), wk = 0.0028249 k( 144) = ( 0.1230769 0.1230769 0.0000000), wk = 0.0028249 k( 145) = ( 0.1153846 0.1153846 0.0000000), wk = 0.0028249 k( 146) = ( 0.1076923 0.1076923 0.0000000), wk = 0.0028249 k( 147) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0028249 k( 148) = ( 0.0923077 0.0923077 0.0000000), wk = 0.0028249 k( 149) = ( 0.0846154 0.0846154 0.0000000), wk = 0.0028249 k( 150) = ( 0.0769231 0.0769231 0.0000000), wk = 0.0028249 k( 151) = ( 0.0692308 0.0692308 0.0000000), wk = 0.0028249 k( 152) = ( 0.0615385 0.0615385 0.0000000), wk = 0.0028249 k( 153) = ( 0.0538462 0.0538462 0.0000000), wk = 0.0028249 k( 154) = ( 0.0461539 0.0461539 0.0000000), wk = 0.0028249 k( 155) = ( 0.0384615 0.0384615 0.0000000), wk = 0.0028249 k( 156) = ( 0.0307692 0.0307692 0.0000000), wk = 0.0028249 k( 157) = ( 0.0230769 0.0230769 0.0000000), wk = 0.0028249 k( 158) = ( 0.0153846 0.0153846 0.0000000), wk = 0.0028249 k( 159) = ( 0.0076923 0.0076923 0.0000000), wk = 0.0028249 k( 160) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 161) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 162) = ( 0.0062500 0.0062500 0.0062500), wk = 0.0028249 k( 163) = ( 0.0125000 0.0125000 0.0125000), wk = 0.0028249 k( 164) = ( 0.0187500 0.0187500 0.0187500), wk = 0.0028249 k( 165) = ( 0.0250000 0.0250000 0.0250000), wk = 0.0028249 k( 166) = ( 0.0312500 0.0312500 0.0312500), wk = 0.0028249 k( 167) = ( 0.0375000 0.0375000 0.0375000), wk = 0.0028249 k( 168) = ( 0.0437500 0.0437500 0.0437500), wk = 0.0028249 k( 169) = ( 0.0500000 0.0500000 0.0500000), wk = 0.0028249 k( 170) = ( 0.0562500 0.0562500 0.0562500), wk = 0.0028249 k( 171) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0028249 k( 172) = ( 0.0687500 0.0687500 0.0687500), wk = 0.0028249 k( 173) = ( 0.0750000 0.0750000 0.0750000), wk = 0.0028249 k( 174) = ( 0.0812500 0.0812500 0.0812500), wk = 0.0028249 k( 175) = ( 0.0875000 0.0875000 0.0875000), wk = 0.0028249 k( 176) = ( 0.0937500 0.0937500 0.0937500), wk = 0.0028249 k( 177) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0028249 k( 178) = ( 0.1062500 0.1062500 0.1062500), wk = 0.0028249 k( 179) = ( 0.1125000 0.1125000 0.1125000), wk = 0.0028249 k( 180) = ( 0.1187500 0.1187500 0.1187500), wk = 0.0028249 k( 181) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0028249 k( 182) = ( 0.1312500 0.1312500 0.1312500), wk = 0.0028249 k( 183) = ( 0.1375000 0.1375000 0.1375000), wk = 0.0028249 k( 184) = ( 0.1437500 0.1437500 0.1437500), wk = 0.0028249 k( 185) = ( 0.1500000 0.1500000 0.1500000), wk = 0.0028249 k( 186) = ( 0.1562500 0.1562500 0.1562500), wk = 0.0028249 k( 187) = ( 0.1625000 0.1625000 0.1625000), wk = 0.0028249 k( 188) = ( 0.1687500 0.1687500 0.1687500), wk = 0.0028249 k( 189) = ( 0.1750000 0.1750000 0.1750000), wk = 0.0028249 k( 190) = ( 0.1812500 0.1812500 0.1812500), wk = 0.0028249 k( 191) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0028249 k( 192) = ( 0.1937500 0.1937500 0.1937500), wk = 0.0028249 k( 193) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0028249 k( 194) = ( 0.2062500 0.2062500 0.2062500), wk = 0.0028249 k( 195) = ( 0.2125000 0.2125000 0.2125000), wk = 0.0028249 k( 196) = ( 0.2187500 0.2187500 0.2187500), wk = 0.0028249 k( 197) = ( 0.2250000 0.2250000 0.2250000), wk = 0.0028249 k( 198) = ( 0.2312500 0.2312500 0.2312500), wk = 0.0028249 k( 199) = ( 0.2375000 0.2375000 0.2375000), wk = 0.0028249 k( 200) = ( 0.2437500 0.2437500 0.2437500), wk = 0.0028249 k( 201) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028249 k( 202) = ( 0.2562500 0.2562500 0.2562500), wk = 0.0028249 k( 203) = ( 0.2625000 0.2625000 0.2625000), wk = 0.0028249 k( 204) = ( 0.2687500 0.2687500 0.2687500), wk = 0.0028249 k( 205) = ( 0.2750000 0.2750000 0.2750000), wk = 0.0028249 k( 206) = ( 0.2812500 0.2812500 0.2812500), wk = 0.0028249 k( 207) = ( 0.2875000 0.2875000 0.2875000), wk = 0.0028249 k( 208) = ( 0.2937500 0.2937500 0.2937500), wk = 0.0028249 k( 209) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0028249 k( 210) = ( 0.3062500 0.3062500 0.3062500), wk = 0.0028249 k( 211) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0028249 k( 212) = ( 0.3187500 0.3187500 0.3187500), wk = 0.0028249 k( 213) = ( 0.3250000 0.3250000 0.3250000), wk = 0.0028249 k( 214) = ( 0.3312500 0.3312500 0.3312500), wk = 0.0028249 k( 215) = ( 0.3375000 0.3375000 0.3375000), wk = 0.0028249 k( 216) = ( 0.3437500 0.3437500 0.3437500), wk = 0.0028249 k( 217) = ( 0.3500000 0.3500000 0.3500000), wk = 0.0028249 k( 218) = ( 0.3562500 0.3562500 0.3562500), wk = 0.0028249 k( 219) = ( 0.3625000 0.3625000 0.3625000), wk = 0.0028249 k( 220) = ( 0.3687500 0.3687500 0.3687500), wk = 0.0028249 k( 221) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0028249 k( 222) = ( 0.3812500 0.3812500 0.3812500), wk = 0.0028249 k( 223) = ( 0.3875000 0.3875000 0.3875000), wk = 0.0028249 k( 224) = ( 0.3937500 0.3937500 0.3937500), wk = 0.0028249 k( 225) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0028249 k( 226) = ( 0.4062500 0.4062500 0.4062500), wk = 0.0028249 k( 227) = ( 0.4125000 0.4125000 0.4125000), wk = 0.0028249 k( 228) = ( 0.4187500 0.4187500 0.4187500), wk = 0.0028249 k( 229) = ( 0.4250000 0.4250000 0.4250000), wk = 0.0028249 k( 230) = ( 0.4312500 0.4312500 0.4312500), wk = 0.0028249 k( 231) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0028249 k( 232) = ( 0.4437500 0.4437500 0.4437500), wk = 0.0028249 k( 233) = ( 0.4500000 0.4500000 0.4500000), wk = 0.0028249 k( 234) = ( 0.4562500 0.4562500 0.4562500), wk = 0.0028249 k( 235) = ( 0.4625000 0.4625000 0.4625000), wk = 0.0028249 k( 236) = ( 0.4687500 0.4687500 0.4687500), wk = 0.0028249 k( 237) = ( 0.4750000 0.4750000 0.4750000), wk = 0.0028249 k( 238) = ( 0.4812500 0.4812500 0.4812500), wk = 0.0028249 k( 239) = ( 0.4875000 0.4875000 0.4875000), wk = 0.0028249 k( 240) = ( 0.4937500 0.4937500 0.4937500), wk = 0.0028249 k( 241) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028249 k( 242) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028249 k( 243) = ( 0.4923077 0.5000000 0.4923077), wk = 0.0028249 k( 244) = ( 0.4846154 0.5000000 0.4846154), wk = 0.0028249 k( 245) = ( 0.4769231 0.5000000 0.4769231), wk = 0.0028249 k( 246) = ( 0.4692308 0.5000000 0.4692308), wk = 0.0028249 k( 247) = ( 0.4615385 0.5000000 0.4615385), wk = 0.0028249 k( 248) = ( 0.4538462 0.5000000 0.4538462), wk = 0.0028249 k( 249) = ( 0.4461539 0.5000000 0.4461539), wk = 0.0028249 k( 250) = ( 0.4384615 0.5000000 0.4384615), wk = 0.0028249 k( 251) = ( 0.4307692 0.5000000 0.4307692), wk = 0.0028249 k( 252) = ( 0.4230769 0.5000000 0.4230769), wk = 0.0028249 k( 253) = ( 0.4153846 0.5000000 0.4153846), wk = 0.0028249 k( 254) = ( 0.4076923 0.5000000 0.4076923), wk = 0.0028249 k( 255) = ( 0.4000000 0.5000000 0.4000000), wk = 0.0028249 k( 256) = ( 0.3923077 0.5000000 0.3923077), wk = 0.0028249 k( 257) = ( 0.3846154 0.5000000 0.3846154), wk = 0.0028249 k( 258) = ( 0.3769231 0.5000000 0.3769231), wk = 0.0028249 k( 259) = ( 0.3692308 0.5000000 0.3692308), wk = 0.0028249 k( 260) = ( 0.3615385 0.5000000 0.3615385), wk = 0.0028249 k( 261) = ( 0.3538462 0.5000000 0.3538462), wk = 0.0028249 k( 262) = ( 0.3461538 0.5000000 0.3461538), wk = 0.0028249 k( 263) = ( 0.3384615 0.5000000 0.3384615), wk = 0.0028249 k( 264) = ( 0.3307692 0.5000000 0.3307692), wk = 0.0028249 k( 265) = ( 0.3230769 0.5000000 0.3230769), wk = 0.0028249 k( 266) = ( 0.3153846 0.5000000 0.3153846), wk = 0.0028249 k( 267) = ( 0.3076923 0.5000000 0.3076923), wk = 0.0028249 k( 268) = ( 0.3000000 0.5000000 0.3000000), wk = 0.0028249 k( 269) = ( 0.2923077 0.5000000 0.2923077), wk = 0.0028249 k( 270) = ( 0.2846154 0.5000000 0.2846154), wk = 0.0028249 k( 271) = ( 0.2769231 0.5000000 0.2769231), wk = 0.0028249 k( 272) = ( 0.2692308 0.5000000 0.2692308), wk = 0.0028249 k( 273) = ( 0.2615385 0.5000000 0.2615385), wk = 0.0028249 k( 274) = ( 0.2538461 0.5000000 0.2538461), wk = 0.0028249 k( 275) = ( 0.2461539 0.5000000 0.2461539), wk = 0.0028249 k( 276) = ( 0.2384615 0.5000000 0.2384615), wk = 0.0028249 k( 277) = ( 0.2307692 0.5000000 0.2307692), wk = 0.0028249 k( 278) = ( 0.2230769 0.5000000 0.2230769), wk = 0.0028249 k( 279) = ( 0.2153846 0.5000000 0.2153846), wk = 0.0028249 k( 280) = ( 0.2076923 0.5000000 0.2076923), wk = 0.0028249 k( 281) = ( 0.2000000 0.5000000 0.2000000), wk = 0.0028249 k( 282) = ( 0.1923077 0.5000000 0.1923077), wk = 0.0028249 k( 283) = ( 0.1846154 0.5000000 0.1846154), wk = 0.0028249 k( 284) = ( 0.1769231 0.5000000 0.1769231), wk = 0.0028249 k( 285) = ( 0.1692308 0.5000000 0.1692308), wk = 0.0028249 k( 286) = ( 0.1615385 0.5000000 0.1615385), wk = 0.0028249 k( 287) = ( 0.1538461 0.5000000 0.1538461), wk = 0.0028249 k( 288) = ( 0.1461539 0.5000000 0.1461539), wk = 0.0028249 k( 289) = ( 0.1384615 0.5000000 0.1384615), wk = 0.0028249 k( 290) = ( 0.1307692 0.5000000 0.1307692), wk = 0.0028249 k( 291) = ( 0.1230769 0.5000000 0.1230769), wk = 0.0028249 k( 292) = ( 0.1153846 0.5000000 0.1153846), wk = 0.0028249 k( 293) = ( 0.1076923 0.5000000 0.1076923), wk = 0.0028249 k( 294) = ( 0.1000000 0.5000000 0.1000000), wk = 0.0028249 k( 295) = ( 0.0923077 0.5000000 0.0923077), wk = 0.0028249 k( 296) = ( 0.0846154 0.5000000 0.0846154), wk = 0.0028249 k( 297) = ( 0.0769231 0.5000000 0.0769231), wk = 0.0028249 k( 298) = ( 0.0692308 0.5000000 0.0692308), wk = 0.0028249 k( 299) = ( 0.0615385 0.5000000 0.0615385), wk = 0.0028249 k( 300) = ( 0.0538462 0.5000000 0.0538462), wk = 0.0028249 k( 301) = ( 0.0461539 0.5000000 0.0461539), wk = 0.0028249 k( 302) = ( 0.0384615 0.5000000 0.0384615), wk = 0.0028249 k( 303) = ( 0.0307692 0.5000000 0.0307692), wk = 0.0028249 k( 304) = ( 0.0230769 0.5000000 0.0230769), wk = 0.0028249 k( 305) = ( 0.0153846 0.5000000 0.0153846), wk = 0.0028249 k( 306) = ( 0.0076923 0.5000000 0.0076923), wk = 0.0028249 k( 307) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028249 k( 308) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0028249 k( 309) = ( 0.5000000 0.5000000 0.0108696), wk = 0.0028249 k( 310) = ( 0.5000000 0.5000000 0.0217391), wk = 0.0028249 k( 311) = ( 0.5000000 0.5000000 0.0326087), wk = 0.0028249 k( 312) = ( 0.5000000 0.5000000 0.0434783), wk = 0.0028249 k( 313) = ( 0.5000000 0.5000000 0.0543478), wk = 0.0028249 k( 314) = ( 0.5000000 0.5000000 0.0652174), wk = 0.0028249 k( 315) = ( 0.5000000 0.5000000 0.0760870), wk = 0.0028249 k( 316) = ( 0.5000000 0.5000000 0.0869565), wk = 0.0028249 k( 317) = ( 0.5000000 0.5000000 0.0978261), wk = 0.0028249 k( 318) = ( 0.5000000 0.5000000 0.1086957), wk = 0.0028249 k( 319) = ( 0.5000000 0.5000000 0.1195652), wk = 0.0028249 k( 320) = ( 0.5000000 0.5000000 0.1304348), wk = 0.0028249 k( 321) = ( 0.5000000 0.5000000 0.1413043), wk = 0.0028249 k( 322) = ( 0.5000000 0.5000000 0.1521739), wk = 0.0028249 k( 323) = ( 0.5000000 0.5000000 0.1630435), wk = 0.0028249 k( 324) = ( 0.5000000 0.5000000 0.1739130), wk = 0.0028249 k( 325) = ( 0.5000000 0.5000000 0.1847826), wk = 0.0028249 k( 326) = ( 0.5000000 0.5000000 0.1956522), wk = 0.0028249 k( 327) = ( 0.5000000 0.5000000 0.2065217), wk = 0.0028249 k( 328) = ( 0.5000000 0.5000000 0.2173913), wk = 0.0028249 k( 329) = ( 0.5000000 0.5000000 0.2282609), wk = 0.0028249 k( 330) = ( 0.5000000 0.5000000 0.2391304), wk = 0.0028249 k( 331) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0028249 k( 332) = ( 0.5000000 0.5000000 0.2608696), wk = 0.0028249 k( 333) = ( 0.5000000 0.5000000 0.2717391), wk = 0.0028249 k( 334) = ( 0.5000000 0.5000000 0.2826087), wk = 0.0028249 k( 335) = ( 0.5000000 0.5000000 0.2934783), wk = 0.0028249 k( 336) = ( 0.5000000 0.5000000 0.3043478), wk = 0.0028249 k( 337) = ( 0.5000000 0.5000000 0.3152174), wk = 0.0028249 k( 338) = ( 0.5000000 0.5000000 0.3260870), wk = 0.0028249 k( 339) = ( 0.5000000 0.5000000 0.3369565), wk = 0.0028249 k( 340) = ( 0.5000000 0.5000000 0.3478261), wk = 0.0028249 k( 341) = ( 0.5000000 0.5000000 0.3586956), wk = 0.0028249 k( 342) = ( 0.5000000 0.5000000 0.3695652), wk = 0.0028249 k( 343) = ( 0.5000000 0.5000000 0.3804348), wk = 0.0028249 k( 344) = ( 0.5000000 0.5000000 0.3913044), wk = 0.0028249 k( 345) = ( 0.5000000 0.5000000 0.4021739), wk = 0.0028249 k( 346) = ( 0.5000000 0.5000000 0.4130435), wk = 0.0028249 k( 347) = ( 0.5000000 0.5000000 0.4239130), wk = 0.0028249 k( 348) = ( 0.5000000 0.5000000 0.4347826), wk = 0.0028249 k( 349) = ( 0.5000000 0.5000000 0.4456522), wk = 0.0028249 k( 350) = ( 0.5000000 0.5000000 0.4565217), wk = 0.0028249 k( 351) = ( 0.5000000 0.5000000 0.4673913), wk = 0.0028249 k( 352) = ( 0.5000000 0.5000000 0.4782609), wk = 0.0028249 k( 353) = ( 0.5000000 0.5000000 0.4891304), wk = 0.0028249 k( 354) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028249 Dense grid: 39223 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 16831 G-vectors FFT dimensions: ( 32, 32, 32) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.06 Mb ( 134, 30) NL pseudopotentials 0.05 Mb ( 67, 48) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1091) G-vector shells 0.00 Mb ( 272) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.25 Mb ( 134, 120) Each subspace H/S matrix 0.01 Mb ( 30, 30) Each matrix 0.04 Mb ( 48, 2, 30) Check: negative/imaginary core charge= -0.000009 0.000000 The potential is recalculated from file : ./MgHg.save/charge-density.dat Starting wfc are 28 randomized atomic wfcs + 2 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.8 secs Computing kpt #: 2 total cpu time spent up to now is 2.0 secs Computing kpt #: 3 total cpu time spent up to now is 2.1 secs Computing kpt #: 4 total cpu time spent up to now is 2.2 secs Computing kpt #: 5 total cpu time spent up to now is 2.4 secs Computing kpt #: 6 total cpu time spent up to now is 2.5 secs Computing kpt #: 7 total cpu time spent up to now is 2.6 secs Computing kpt #: 8 total cpu time spent up to now is 2.8 secs Computing kpt #: 9 total cpu time spent up to now is 2.9 secs Computing kpt #: 10 total cpu time spent up to now is 3.0 secs Computing kpt #: 11 total cpu time spent up to now is 3.1 secs Computing kpt #: 12 total cpu time spent up to now is 3.3 secs Computing kpt #: 13 total cpu time spent up to now is 3.4 secs Computing kpt #: 14 total cpu time spent up to now is 3.5 secs Computing kpt #: 15 total cpu time spent up to now is 3.6 secs Computing kpt #: 16 total cpu time spent up to now is 3.7 secs Computing kpt #: 17 total cpu time spent up to now is 3.8 secs Computing kpt #: 18 total cpu time spent up to now is 4.0 secs Computing kpt #: 19 total cpu time spent up to now is 4.1 secs Computing kpt #: 20 total cpu time spent up to now is 4.2 secs Computing kpt #: 21 total cpu time spent up to now is 4.3 secs Computing kpt #: 22 total cpu time spent up to now is 4.4 secs Computing kpt #: 23 total cpu time spent up to now is 4.6 secs Computing kpt #: 24 total cpu time spent up to now is 4.7 secs Computing kpt #: 25 total cpu time spent up to now is 4.8 secs Computing kpt #: 26 total cpu time spent up to now is 4.9 secs Computing kpt #: 27 total cpu time spent up to now is 5.0 secs Computing kpt #: 28 total cpu time spent up to now is 5.2 secs Computing kpt #: 29 total cpu time spent up to now is 5.3 secs Computing kpt #: 30 total cpu time spent up to now is 5.4 secs Computing kpt #: 31 total cpu time spent up to now is 5.5 secs Computing kpt #: 32 total cpu time spent up to now is 5.6 secs Computing kpt #: 33 total cpu time spent up to now is 5.8 secs Computing kpt #: 34 total cpu time spent up to now is 5.9 secs Computing kpt #: 35 total cpu time spent up to now is 6.0 secs Computing kpt #: 36 total cpu time spent up to now is 6.1 secs Computing kpt #: 37 total cpu time spent up to now is 6.2 secs Computing kpt #: 38 total cpu time spent up to now is 6.4 secs Computing kpt #: 39 total cpu time spent up to now is 6.5 secs Computing kpt #: 40 total cpu time spent up to now is 6.6 secs Computing kpt #: 41 total cpu time spent up to now is 6.8 secs Computing kpt #: 42 total cpu time spent up to now is 6.9 secs Computing kpt #: 43 total cpu time spent up to now is 7.1 secs Computing kpt #: 44 total cpu time spent up to now is 7.2 secs Computing kpt #: 45 total cpu time spent up to now is 7.3 secs Computing kpt #: 46 total cpu time spent up to now is 7.4 secs Computing kpt #: 47 total cpu time spent up to now is 7.6 secs Computing kpt #: 48 total cpu time spent up to now is 7.7 secs Computing kpt #: 49 total cpu time spent up to now is 7.9 secs Computing kpt #: 50 total cpu time spent up to now is 8.0 secs Computing kpt #: 51 total cpu time spent up to now is 8.3 secs Computing kpt #: 52 total cpu time spent up to now is 8.5 secs Computing kpt #: 53 total cpu time spent up to now is 8.7 secs Computing kpt #: 54 total cpu time spent up to now is 8.8 secs Computing kpt #: 55 total cpu time spent up to now is 9.0 secs Computing kpt #: 56 total cpu time spent up to now is 9.2 secs Computing kpt #: 57 total cpu time spent up to now is 9.3 secs Computing kpt #: 58 total cpu time spent up to now is 9.5 secs Computing kpt #: 59 total cpu time spent up to now is 9.6 secs Computing kpt #: 60 total cpu time spent up to now is 9.7 secs Computing kpt #: 61 total cpu time spent up to now is 9.9 secs Computing kpt #: 62 total cpu time spent up to now is 10.0 secs Computing kpt #: 63 total cpu time spent up to now is 10.1 secs Computing kpt #: 64 total cpu time spent up to now is 10.2 secs Computing kpt #: 65 total cpu time spent up to now is 10.4 secs Computing kpt #: 66 total cpu time spent up to now is 10.5 secs Computing kpt #: 67 total cpu time spent up to now is 10.6 secs Computing kpt #: 68 total cpu time spent up to now is 10.8 secs Computing kpt #: 69 total cpu time spent up to now is 10.9 secs Computing kpt #: 70 total cpu time spent up to now is 11.0 secs Computing kpt #: 71 total cpu time spent up to now is 11.1 secs Computing kpt #: 72 total cpu time spent up to now is 11.3 secs Computing kpt #: 73 total cpu time spent up to now is 11.4 secs Computing kpt #: 74 total cpu time spent up to now is 11.6 secs Computing kpt #: 75 total cpu time spent up to now is 11.7 secs Computing kpt #: 76 total cpu time spent up to now is 11.8 secs Computing kpt #: 77 total cpu time spent up to now is 12.0 secs Computing kpt #: 78 total cpu time spent up to now is 12.3 secs Computing kpt #: 79 total cpu time spent up to now is 12.5 secs Computing kpt #: 80 total cpu time spent up to now is 12.7 secs Computing kpt #: 81 total cpu time spent up to now is 12.9 secs Computing kpt #: 82 total cpu time spent up to now is 13.1 secs Computing kpt #: 83 total cpu time spent up to now is 13.2 secs Computing kpt #: 84 total cpu time spent up to now is 13.4 secs Computing kpt #: 85 total cpu time spent up to now is 13.6 secs Computing kpt #: 86 total cpu time spent up to now is 13.8 secs Computing kpt #: 87 total cpu time spent up to now is 14.0 secs Computing kpt #: 88 total cpu time spent up to now is 14.1 secs Computing kpt #: 89 total cpu time spent up to now is 14.3 secs Computing kpt #: 90 total cpu time spent up to now is 14.5 secs Computing kpt #: 91 total cpu time spent up to now is 14.7 secs Computing kpt #: 92 total cpu time spent up to now is 14.9 secs Computing kpt #: 93 total cpu time spent up to now is 15.0 secs Computing kpt #: 94 total cpu time spent up to now is 15.2 secs Computing kpt #: 95 total cpu time spent up to now is 15.4 secs Computing kpt #: 96 total cpu time spent up to now is 15.6 secs Computing kpt #: 97 total cpu time spent up to now is 15.7 secs Computing kpt #: 98 total cpu time spent up to now is 15.9 secs Computing kpt #: 99 total cpu time spent up to now is 16.1 secs Computing kpt #: 100 total cpu time spent up to now is 16.2 secs Computing kpt #: 101 total cpu time spent up to now is 16.4 secs Computing kpt #: 102 total cpu time spent up to now is 16.6 secs Computing kpt #: 103 total cpu time spent up to now is 16.8 secs Computing kpt #: 104 total cpu time spent up to now is 16.9 secs Computing kpt #: 105 total cpu time spent up to now is 17.1 secs Computing kpt #: 106 total cpu time spent up to now is 17.2 secs Computing kpt #: 107 total cpu time spent up to now is 17.4 secs Computing kpt #: 108 total cpu time spent up to now is 17.5 secs Computing kpt #: 109 total cpu time spent up to now is 17.6 secs Computing kpt #: 110 total cpu time spent up to now is 17.7 secs Computing kpt #: 111 total cpu time spent up to now is 17.9 secs Computing kpt #: 112 total cpu time spent up to now is 18.0 secs Computing kpt #: 113 total cpu time spent up to now is 18.1 secs Computing kpt #: 114 total cpu time spent up to now is 18.2 secs Computing kpt #: 115 total cpu time spent up to now is 18.4 secs Computing kpt #: 116 total cpu time spent up to now is 18.5 secs Computing kpt #: 117 total cpu time spent up to now is 18.6 secs Computing kpt #: 118 total cpu time spent up to now is 18.7 secs Computing kpt #: 119 total cpu time spent up to now is 18.8 secs Computing kpt #: 120 total cpu time spent up to now is 19.0 secs Computing kpt #: 121 total cpu time spent up to now is 19.1 secs Computing kpt #: 122 total cpu time spent up to now is 19.2 secs Computing kpt #: 123 total cpu time spent up to now is 19.3 secs Computing kpt #: 124 total cpu time spent up to now is 19.4 secs Computing kpt #: 125 total cpu time spent up to now is 19.5 secs Computing kpt #: 126 total cpu time spent up to now is 19.7 secs Computing kpt #: 127 total cpu time spent up to now is 19.8 secs Computing kpt #: 128 total cpu time spent up to now is 19.9 secs Computing kpt #: 129 total cpu time spent up to now is 20.0 secs Computing kpt #: 130 total cpu time spent up to now is 20.2 secs Computing kpt #: 131 total cpu time spent up to now is 20.3 secs Computing kpt #: 132 total cpu time spent up to now is 20.4 secs Computing kpt #: 133 total cpu time spent up to now is 20.5 secs Computing kpt #: 134 total cpu time spent up to now is 20.7 secs Computing kpt #: 135 total cpu time spent up to now is 20.8 secs Computing kpt #: 136 total cpu time spent up to now is 20.9 secs Computing kpt #: 137 total cpu time spent up to now is 21.0 secs Computing kpt #: 138 total cpu time spent up to now is 21.2 secs Computing kpt #: 139 total cpu time spent up to now is 21.3 secs Computing kpt #: 140 total cpu time spent up to now is 21.5 secs Computing kpt #: 141 total cpu time spent up to now is 21.6 secs Computing kpt #: 142 total cpu time spent up to now is 21.8 secs Computing kpt #: 143 total cpu time spent up to now is 22.0 secs Computing kpt #: 144 total cpu time spent up to now is 22.1 secs Computing kpt #: 145 total cpu time spent up to now is 22.3 secs Computing kpt #: 146 total cpu time spent up to now is 22.5 secs Computing kpt #: 147 total cpu time spent up to now is 22.7 secs Computing kpt #: 148 total cpu time spent up to now is 22.8 secs Computing kpt #: 149 total cpu time spent up to now is 23.1 secs Computing kpt #: 150 total cpu time spent up to now is 23.3 secs Computing kpt #: 151 total cpu time spent up to now is 23.6 secs Computing kpt #: 152 total cpu time spent up to now is 23.8 secs Computing kpt #: 153 total cpu time spent up to now is 24.0 secs Computing kpt #: 154 total cpu time spent up to now is 24.2 secs Computing kpt #: 155 total cpu time spent up to now is 24.4 secs Computing kpt #: 156 total cpu time spent up to now is 24.6 secs Computing kpt #: 157 total cpu time spent up to now is 24.8 secs Computing kpt #: 158 total cpu time spent up to now is 24.9 secs Computing kpt #: 159 total cpu time spent up to now is 25.1 secs Computing kpt #: 160 total cpu time spent up to now is 25.2 secs Computing kpt #: 161 total cpu time spent up to now is 25.3 secs Computing kpt #: 162 total cpu time spent up to now is 25.4 secs Computing kpt #: 163 total cpu time spent up to now is 25.5 secs Computing kpt #: 164 total cpu time spent up to now is 25.7 secs Computing kpt #: 165 total cpu time spent up to now is 25.9 secs Computing kpt #: 166 total cpu time spent up to now is 26.1 secs Computing kpt #: 167 total cpu time spent up to now is 26.2 secs Computing kpt #: 168 total cpu time spent up to now is 26.4 secs Computing kpt #: 169 total cpu time spent up to now is 26.5 secs Computing kpt #: 170 total cpu time spent up to now is 26.7 secs Computing kpt #: 171 total cpu time spent up to now is 26.9 secs Computing kpt #: 172 total cpu time spent up to now is 27.0 secs Computing kpt #: 173 total cpu time spent up to now is 27.1 secs Computing kpt #: 174 total cpu time spent up to now is 27.3 secs Computing kpt #: 175 total cpu time spent up to now is 27.4 secs Computing kpt #: 176 total cpu time spent up to now is 27.5 secs Computing kpt #: 177 total cpu time spent up to now is 27.6 secs Computing kpt #: 178 total cpu time spent up to now is 27.8 secs Computing kpt #: 179 total cpu time spent up to now is 27.9 secs Computing kpt #: 180 total cpu time spent up to now is 28.0 secs Computing kpt #: 181 total cpu time spent up to now is 28.1 secs Computing kpt #: 182 total cpu time spent up to now is 28.3 secs Computing kpt #: 183 total cpu time spent up to now is 28.4 secs Computing kpt #: 184 total cpu time spent up to now is 28.5 secs Computing kpt #: 185 total cpu time spent up to now is 28.6 secs Computing kpt #: 186 total cpu time spent up to now is 28.8 secs Computing kpt #: 187 total cpu time spent up to now is 28.9 secs Computing kpt #: 188 total cpu time spent up to now is 29.0 secs Computing kpt #: 189 total cpu time spent up to now is 29.1 secs Computing kpt #: 190 total cpu time spent up to now is 29.3 secs Computing kpt #: 191 total cpu time spent up to now is 29.4 secs Computing kpt #: 192 total cpu time spent up to now is 29.5 secs Computing kpt #: 193 total cpu time spent up to now is 29.6 secs Computing kpt #: 194 total cpu time spent up to now is 29.8 secs Computing kpt #: 195 total cpu time spent up to now is 29.9 secs Computing kpt #: 196 total cpu time spent up to now is 30.1 secs Computing kpt #: 197 total cpu time spent up to now is 30.2 secs Computing kpt #: 198 total cpu time spent up to now is 30.3 secs Computing kpt #: 199 total cpu time spent up to now is 30.5 secs Computing kpt #: 200 total cpu time spent up to now is 30.6 secs Computing kpt #: 201 total cpu time spent up to now is 30.8 secs Computing kpt #: 202 total cpu time spent up to now is 30.9 secs Computing kpt #: 203 total cpu time spent up to now is 31.1 secs Computing kpt #: 204 total cpu time spent up to now is 31.2 secs Computing kpt #: 205 total cpu time spent up to now is 31.3 secs Computing kpt #: 206 total cpu time spent up to now is 31.5 secs Computing kpt #: 207 total cpu time spent up to now is 31.6 secs Computing kpt #: 208 total cpu time spent up to now is 31.7 secs Computing kpt #: 209 total cpu time spent up to now is 31.8 secs Computing kpt #: 210 total cpu time spent up to now is 32.0 secs Computing kpt #: 211 total cpu time spent up to now is 32.1 secs Computing kpt #: 212 total cpu time spent up to now is 32.2 secs Computing kpt #: 213 total cpu time spent up to now is 32.3 secs Computing kpt #: 214 total cpu time spent up to now is 32.5 secs Computing kpt #: 215 total cpu time spent up to now is 32.6 secs Computing kpt #: 216 total cpu time spent up to now is 32.7 secs Computing kpt #: 217 total cpu time spent up to now is 32.8 secs Computing kpt #: 218 total cpu time spent up to now is 33.0 secs Computing kpt #: 219 total cpu time spent up to now is 33.1 secs Computing kpt #: 220 total cpu time spent up to now is 33.2 secs Computing kpt #: 221 total cpu time spent up to now is 33.4 secs Computing kpt #: 222 total cpu time spent up to now is 33.5 secs Computing kpt #: 223 total cpu time spent up to now is 33.6 secs Computing kpt #: 224 total cpu time spent up to now is 33.7 secs Computing kpt #: 225 total cpu time spent up to now is 33.9 secs Computing kpt #: 226 total cpu time spent up to now is 34.0 secs Computing kpt #: 227 total cpu time spent up to now is 34.1 secs Computing kpt #: 228 total cpu time spent up to now is 34.2 secs Computing kpt #: 229 total cpu time spent up to now is 34.4 secs Computing kpt #: 230 total cpu time spent up to now is 34.5 secs Computing kpt #: 231 total cpu time spent up to now is 34.6 secs Computing kpt #: 232 total cpu time spent up to now is 34.7 secs Computing kpt #: 233 total cpu time spent up to now is 34.8 secs Computing kpt #: 234 total cpu time spent up to now is 34.9 secs Computing kpt #: 235 total cpu time spent up to now is 35.1 secs Computing kpt #: 236 total cpu time spent up to now is 35.2 secs Computing kpt #: 237 total cpu time spent up to now is 35.3 secs Computing kpt #: 238 total cpu time spent up to now is 35.4 secs Computing kpt #: 239 total cpu time spent up to now is 35.6 secs Computing kpt #: 240 total cpu time spent up to now is 35.9 secs Computing kpt #: 241 total cpu time spent up to now is 36.0 secs Computing kpt #: 242 total cpu time spent up to now is 36.1 secs Computing kpt #: 243 total cpu time spent up to now is 36.2 secs Computing kpt #: 244 total cpu time spent up to now is 36.4 secs Computing kpt #: 245 total cpu time spent up to now is 36.5 secs Computing kpt #: 246 total cpu time spent up to now is 36.6 secs Computing kpt #: 247 total cpu time spent up to now is 36.7 secs Computing kpt #: 248 total cpu time spent up to now is 36.8 secs Computing kpt #: 249 total cpu time spent up to now is 37.0 secs Computing kpt #: 250 total cpu time spent up to now is 37.1 secs Computing kpt #: 251 total cpu time spent up to now is 37.2 secs Computing kpt #: 252 total cpu time spent up to now is 37.3 secs Computing kpt #: 253 total cpu time spent up to now is 37.4 secs Computing kpt #: 254 total cpu time spent up to now is 37.5 secs Computing kpt #: 255 total cpu time spent up to now is 37.6 secs Computing kpt #: 256 total cpu time spent up to now is 37.7 secs Computing kpt #: 257 total cpu time spent up to now is 37.8 secs Computing kpt #: 258 total cpu time spent up to now is 37.9 secs Computing kpt #: 259 total cpu time spent up to now is 38.0 secs Computing kpt #: 260 total cpu time spent up to now is 38.1 secs Computing kpt #: 261 total cpu time spent up to now is 38.3 secs Computing kpt #: 262 total cpu time spent up to now is 38.4 secs Computing kpt #: 263 total cpu time spent up to now is 38.5 secs Computing kpt #: 264 total cpu time spent up to now is 38.6 secs Computing kpt #: 265 total cpu time spent up to now is 38.7 secs Computing kpt #: 266 total cpu time spent up to now is 38.8 secs Computing kpt #: 267 total cpu time spent up to now is 38.9 secs Computing kpt #: 268 total cpu time spent up to now is 39.0 secs Computing kpt #: 269 total cpu time spent up to now is 39.1 secs Computing kpt #: 270 total cpu time spent up to now is 39.2 secs Computing kpt #: 271 total cpu time spent up to now is 39.3 secs Computing kpt #: 272 total cpu time spent up to now is 39.5 secs Computing kpt #: 273 total cpu time spent up to now is 39.6 secs Computing kpt #: 274 total cpu time spent up to now is 39.7 secs Computing kpt #: 275 total cpu time spent up to now is 39.8 secs Computing kpt #: 276 total cpu time spent up to now is 39.9 secs Computing kpt #: 277 total cpu time spent up to now is 40.0 secs Computing kpt #: 278 total cpu time spent up to now is 40.2 secs Computing kpt #: 279 total cpu time spent up to now is 40.3 secs Computing kpt #: 280 total cpu time spent up to now is 40.4 secs Computing kpt #: 281 total cpu time spent up to now is 40.5 secs Computing kpt #: 282 total cpu time spent up to now is 40.6 secs Computing kpt #: 283 total cpu time spent up to now is 40.7 secs Computing kpt #: 284 total cpu time spent up to now is 40.9 secs Computing kpt #: 285 total cpu time spent up to now is 41.0 secs Computing kpt #: 286 total cpu time spent up to now is 41.1 secs Computing kpt #: 287 total cpu time spent up to now is 41.2 secs Computing kpt #: 288 total cpu time spent up to now is 41.3 secs Computing kpt #: 289 total cpu time spent up to now is 41.4 secs Computing kpt #: 290 total cpu time spent up to now is 41.6 secs Computing kpt #: 291 total cpu time spent up to now is 41.7 secs Computing kpt #: 292 total cpu time spent up to now is 41.8 secs Computing kpt #: 293 total cpu time spent up to now is 41.9 secs Computing kpt #: 294 total cpu time spent up to now is 42.0 secs Computing kpt #: 295 total cpu time spent up to now is 42.1 secs Computing kpt #: 296 total cpu time spent up to now is 42.2 secs Computing kpt #: 297 total cpu time spent up to now is 42.3 secs Computing kpt #: 298 total cpu time spent up to now is 42.4 secs Computing kpt #: 299 total cpu time spent up to now is 42.5 secs Computing kpt #: 300 total cpu time spent up to now is 42.6 secs Computing kpt #: 301 total cpu time spent up to now is 42.8 secs Computing kpt #: 302 total cpu time spent up to now is 42.9 secs Computing kpt #: 303 total cpu time spent up to now is 43.0 secs Computing kpt #: 304 total cpu time spent up to now is 43.2 secs Computing kpt #: 305 total cpu time spent up to now is 43.4 secs Computing kpt #: 306 total cpu time spent up to now is 43.5 secs Computing kpt #: 307 total cpu time spent up to now is 43.7 secs Computing kpt #: 308 total cpu time spent up to now is 43.8 secs Computing kpt #: 309 total cpu time spent up to now is 44.0 secs Computing kpt #: 310 total cpu time spent up to now is 44.1 secs Computing kpt #: 311 total cpu time spent up to now is 44.3 secs Computing kpt #: 312 total cpu time spent up to now is 44.5 secs Computing kpt #: 313 total cpu time spent up to now is 44.6 secs Computing kpt #: 314 total cpu time spent up to now is 44.8 secs Computing kpt #: 315 total cpu time spent up to now is 44.9 secs Computing kpt #: 316 total cpu time spent up to now is 45.1 secs Computing kpt #: 317 total cpu time spent up to now is 45.2 secs Computing kpt #: 318 total cpu time spent up to now is 45.3 secs Computing kpt #: 319 total cpu time spent up to now is 45.5 secs Computing kpt #: 320 total cpu time spent up to now is 45.6 secs Computing kpt #: 321 total cpu time spent up to now is 45.7 secs Computing kpt #: 322 total cpu time spent up to now is 45.9 secs Computing kpt #: 323 total cpu time spent up to now is 46.0 secs Computing kpt #: 324 total cpu time spent up to now is 46.1 secs Computing kpt #: 325 total cpu time spent up to now is 46.2 secs Computing kpt #: 326 total cpu time spent up to now is 46.4 secs Computing kpt #: 327 total cpu time spent up to now is 46.5 secs Computing kpt #: 328 total cpu time spent up to now is 46.6 secs Computing kpt #: 329 total cpu time spent up to now is 46.7 secs Computing kpt #: 330 total cpu time spent up to now is 46.9 secs Computing kpt #: 331 total cpu time spent up to now is 47.0 secs Computing kpt #: 332 total cpu time spent up to now is 47.1 secs Computing kpt #: 333 total cpu time spent up to now is 47.3 secs Computing kpt #: 334 total cpu time spent up to now is 47.4 secs Computing kpt #: 335 total cpu time spent up to now is 47.5 secs Computing kpt #: 336 total cpu time spent up to now is 47.6 secs Computing kpt #: 337 total cpu time spent up to now is 47.8 secs Computing kpt #: 338 total cpu time spent up to now is 47.9 secs Computing kpt #: 339 total cpu time spent up to now is 48.0 secs Computing kpt #: 340 total cpu time spent up to now is 48.2 secs Computing kpt #: 341 total cpu time spent up to now is 48.3 secs Computing kpt #: 342 total cpu time spent up to now is 48.4 secs Computing kpt #: 343 total cpu time spent up to now is 48.6 secs Computing kpt #: 344 total cpu time spent up to now is 48.7 secs Computing kpt #: 345 total cpu time spent up to now is 48.8 secs Computing kpt #: 346 total cpu time spent up to now is 48.9 secs Computing kpt #: 347 total cpu time spent up to now is 49.1 secs Computing kpt #: 348 total cpu time spent up to now is 49.3 secs Computing kpt #: 349 total cpu time spent up to now is 49.4 secs Computing kpt #: 350 total cpu time spent up to now is 49.6 secs Computing kpt #: 351 total cpu time spent up to now is 49.8 secs Computing kpt #: 352 total cpu time spent up to now is 49.9 secs Computing kpt #: 353 total cpu time spent up to now is 50.3 secs Computing kpt #: 354 total cpu time spent up to now is 50.4 secs ethr = 4.55E-08, avg # of iterations = 18.7 total cpu time spent up to now is 50.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2103 PWs) bands (ev): -65.8586 -65.8586 -32.7953 -32.7953 -32.5071 -32.5071 -32.5071 -32.5071 1.3370 1.3370 1.8861 1.8861 1.8861 1.8861 3.6919 3.6919 3.6919 3.6919 4.1923 4.1923 13.6580 13.6580 14.7882 14.7882 14.7882 14.7882 17.2447 17.2447 17.4912 17.4912 k = 0.0000 0.0109-0.0000 ( 2103 PWs) bands (ev): -65.8586 -65.8586 -32.7953 -32.7953 -32.5071 -32.5071 -32.5071 -32.5071 1.3386 1.3386 1.8862 1.8862 1.8864 1.8864 3.6918 3.6918 3.6919 3.6919 4.1920 4.1920 13.6530 13.6530 14.7698 14.7698 14.7903 14.7903 17.2566 17.2566 17.4911 17.4911 k = 0.0000 0.0217-0.0000 ( 2103 PWs) bands (ev): -65.8586 -65.8586 -32.7953 -32.7953 -32.5072 -32.5072 -32.5071 -32.5071 1.3436 1.3436 1.8863 1.8863 1.8872 1.8872 3.6917 3.6917 3.6918 3.6918 4.1910 4.1910 13.6373 13.6373 14.7183 14.7183 14.7965 14.7965 17.2841 17.2841 17.4908 17.4908 k = 0.0000 0.0326-0.0000 ( 2103 PWs) bands (ev): -65.8586 -65.8586 -32.7953 -32.7953 -32.5072 -32.5072 -32.5071 -32.5071 1.3517 1.3517 1.8865 1.8865 1.8886 1.8886 3.6915 3.6915 3.6918 3.6918 4.1895 4.1895 13.6080 13.6080 14.6436 14.6436 14.8069 14.8069 17.3123 17.3123 17.4903 17.4903 k = 0.0000 0.0435-0.0000 ( 2103 PWs) bands (ev): -65.8586 -65.8586 -32.7954 -32.7954 -32.5072 -32.5072 -32.5071 -32.5071 1.3631 1.3631 1.8868 1.8868 1.8907 1.8907 3.6912 3.6912 3.6917 3.6917 4.1874 4.1874 13.5603 13.5603 14.5589 14.5589 14.8214 14.8214 17.3349 17.3349 17.4896 17.4896 k = 0.0000 0.0543-0.0000 ( 2104 PWs) bands (ev): -65.8586 -65.8586 -32.7954 -32.7954 -32.5073 -32.5073 -32.5071 -32.5071 1.3777 1.3777 1.8872 1.8872 1.8933 1.8933 3.6909 3.6909 3.6916 3.6916 4.1847 4.1847 13.4887 13.4887 14.4778 14.4778 14.8399 14.8399 17.3535 17.3535 17.4887 17.4887 k = 0.0000 0.0652-0.0000 ( 2104 PWs) bands (ev): -65.8586 -65.8586 -32.7954 -32.7954 -32.5073 -32.5073 -32.5071 -32.5071 1.3953 1.3953 1.8877 1.8877 1.8966 1.8966 3.6905 3.6905 3.6915 3.6915 4.1815 4.1815 13.3888 13.3888 14.4112 14.4112 14.8626 14.8626 17.3706 17.3706 17.4876 17.4876 k = 0.0000 0.0761-0.0000 ( 2104 PWs) bands (ev): -65.8586 -65.8586 -32.7954 -32.7954 -32.5074 -32.5074 -32.5071 -32.5071 1.4160 1.4160 1.8883 1.8883 1.9007 1.9007 3.6902 3.6902 3.6913 3.6913 4.1777 4.1777 13.2600 13.2600 14.3648 14.3648 14.8893 14.8893 17.3878 17.3878 17.4863 17.4863 k = 0.0000 0.0870-0.0000 ( 2096 PWs) bands (ev): -65.8586 -65.8586 -32.7954 -32.7954 -32.5075 -32.5075 -32.5071 -32.5071 1.4395 1.4395 1.8889 1.8889 1.9056 1.9056 3.6900 3.6900 3.6911 3.6911 4.1735 4.1735 13.1054 13.1054 14.3388 14.3388 14.9200 14.9200 17.4060 17.4060 17.4848 17.4848 k = 0.0000 0.0978-0.0000 ( 2088 PWs) bands (ev): -65.8585 -65.8585 -32.7955 -32.7955 -32.5075 -32.5075 -32.5071 -32.5071 1.4656 1.4656 1.8896 1.8896 1.9114 1.9114 3.6899 3.6899 3.6909 3.6909 4.1688 4.1688 12.9304 12.9304 14.3306 14.3306 14.9546 14.9546 17.4255 17.4255 17.4832 17.4832 k = 0.0000 0.1087-0.0000 ( 2088 PWs) bands (ev): -65.8585 -65.8585 -32.7955 -32.7955 -32.5076 -32.5076 -32.5071 -32.5071 1.4942 1.4942 1.8904 1.8904 1.9184 1.9184 3.6899 3.6899 3.6905 3.6905 4.1637 4.1637 12.7403 12.7403 14.3366 14.3366 14.9931 14.9931 17.4467 17.4467 17.4813 17.4813 k = 0.0000 0.1196-0.0000 ( 2084 PWs) bands (ev): -65.8585 -65.8585 -32.7955 -32.7955 -32.5077 -32.5077 -32.5070 -32.5070 1.5249 1.5249 1.8912 1.8912 1.9268 1.9268 3.6901 3.6901 3.6902 3.6902 4.1583 4.1583 12.5396 12.5396 14.3538 14.3538 15.0355 15.0355 17.4696 17.4696 17.4793 17.4793 k = 0.0000 0.1304-0.0000 ( 2084 PWs) bands (ev): -65.8585 -65.8585 -32.7956 -32.7956 -32.5078 -32.5078 -32.5070 -32.5070 1.5573 1.5573 1.8921 1.8921 1.9369 1.9369 3.6896 3.6896 3.6908 3.6908 4.1525 4.1525 12.3315 12.3315 14.3801 14.3801 15.0816 15.0816 17.4771 17.4771 17.4945 17.4945 k = 0.0000 0.1413-0.0000 ( 2088 PWs) bands (ev): -65.8585 -65.8585 -32.7957 -32.7957 -32.5080 -32.5080 -32.5070 -32.5070 1.5909 1.5909 1.8931 1.8931 1.9492 1.9492 3.6890 3.6890 3.6918 3.6918 4.1465 4.1465 12.1183 12.1183 14.4137 14.4137 15.1314 15.1314 17.4747 17.4747 17.5214 17.5214 k = 0.0000 0.1522-0.0000 ( 2088 PWs) bands (ev): -65.8585 -65.8585 -32.7957 -32.7957 -32.5081 -32.5081 -32.5070 -32.5070 1.6248 1.6248 1.8940 1.8940 1.9644 1.9644 3.6883 3.6883 3.6933 3.6933 4.1402 4.1402 11.9018 11.9018 14.4535 14.4535 15.1848 15.1848 17.4721 17.4721 17.5504 17.5504 k = 0.0000 0.1630-0.0000 ( 2096 PWs) bands (ev): -65.8585 -65.8585 -32.7958 -32.7958 -32.5083 -32.5083 -32.5070 -32.5070 1.6583 1.6583 1.8951 1.8951 1.9832 1.9832 3.6874 3.6874 3.6954 3.6954 4.1338 4.1338 11.6832 11.6832 14.4987 14.4987 15.2417 15.2417 17.4694 17.4694 17.5814 17.5814 k = 0.0000 0.1739-0.0000 ( 2096 PWs) bands (ev): -65.8585 -65.8585 -32.7959 -32.7959 -32.5084 -32.5084 -32.5070 -32.5070 1.6902 1.6902 1.8961 1.8961 2.0065 2.0065 3.6865 3.6865 3.6982 3.6982 4.1273 4.1273 11.4635 11.4635 14.5487 14.5487 15.3021 15.3021 17.4665 17.4665 17.6146 17.6146 k = 0.0000 0.1848-0.0000 ( 2088 PWs) bands (ev): -65.8585 -65.8585 -32.7959 -32.7959 -32.5085 -32.5085 -32.5070 -32.5070 1.7196 1.7196 1.8972 1.8972 2.0352 2.0352 3.6853 3.6853 3.7019 3.7019 4.1208 4.1208 11.2433 11.2433 14.6031 14.6031 15.3660 15.3660 17.4635 17.4635 17.6500 17.6500 k = 0.0000 0.1957-0.0000 ( 2088 PWs) bands (ev): -65.8585 -65.8585 -32.7960 -32.7960 -32.5087 -32.5087 -32.5069 -32.5069 1.7456 1.7456 1.8983 1.8983 2.0700 2.0700 3.6841 3.6841 3.7065 3.7065 4.1142 4.1142 11.0231 11.0231 14.6613 14.6613 15.4330 15.4330 17.4604 17.4604 17.6876 17.6876 k = 0.0000 0.2065-0.0000 ( 2096 PWs) bands (ev): -65.8585 -65.8585 -32.7961 -32.7961 -32.5089 -32.5089 -32.5069 -32.5069 1.7680 1.7680 1.8994 1.8994 2.1110 2.1110 3.6826 3.6826 3.7122 3.7122 4.1077 4.1077 10.8035 10.8035 14.7231 14.7231 15.5033 15.5033 17.4572 17.4572 17.7274 17.7274 k = 0.0000 0.2174-0.0000 ( 2092 PWs) bands (ev): -65.8584 -65.8584 -32.7961 -32.7961 -32.5090 -32.5090 -32.5069 -32.5069 1.7867 1.7867 1.9005 1.9005 2.1578 2.1578 3.6810 3.6810 3.7194 3.7194 4.1013 4.1013 10.5846 10.5846 14.7883 14.7883 15.5766 15.5766 17.4538 17.4538 17.7694 17.7694 k = 0.0000 0.2283-0.0000 ( 2092 PWs) bands (ev): -65.8584 -65.8584 -32.7962 -32.7962 -32.5092 -32.5092 -32.5069 -32.5069 1.8023 1.8023 1.9015 1.9015 2.2100 2.2100 3.6793 3.6793 3.7281 3.7281 4.0950 4.0950 10.3669 10.3669 14.8565 14.8565 15.6529 15.6529 17.4503 17.4503 17.8137 17.8137 k = 0.0000 0.2391-0.0000 ( 2096 PWs) bands (ev): -65.8584 -65.8584 -32.7963 -32.7963 -32.5094 -32.5094 -32.5069 -32.5069 1.8151 1.8151 1.9026 1.9026 2.2665 2.2665 3.6773 3.6773 3.7386 3.7386 4.0888 4.0888 10.1505 10.1505 14.9275 14.9275 15.7321 15.7321 17.4468 17.4468 17.8602 17.8602 k = 0.0000 0.2500-0.0000 ( 2096 PWs) bands (ev): -65.8584 -65.8584 -32.7963 -32.7963 -32.5095 -32.5095 -32.5069 -32.5069 1.8258 1.8258 1.9037 1.9037 2.3267 2.3267 3.6752 3.6752 3.7513 3.7513 4.0829 4.0829 9.9356 9.9356 15.0012 15.0012 15.8140 15.8140 17.4432 17.4432 17.9091 17.9091 k = 0.0000 0.2609-0.0000 ( 2088 PWs) bands (ev): -65.8584 -65.8584 -32.7964 -32.7964 -32.5097 -32.5097 -32.5068 -32.5068 1.8347 1.8347 1.9047 1.9047 2.3896 2.3896 3.6730 3.6730 3.7665 3.7665 4.0773 4.0773 9.7223 9.7223 15.0773 15.0773 15.8986 15.8986 17.4395 17.4395 17.9604 17.9604 k = 0.0000 0.2717-0.0000 ( 2080 PWs) bands (ev): -65.8584 -65.8584 -32.7964 -32.7964 -32.5098 -32.5098 -32.5068 -32.5068 1.8423 1.8423 1.9058 1.9058 2.4544 2.4544 3.6706 3.6706 3.7846 3.7846 4.0719 4.0719 9.5109 9.5109 15.1555 15.1555 15.9856 15.9856 17.4358 17.4358 18.0140 18.0140 k = 0.0000 0.2826-0.0000 ( 2084 PWs) bands (ev): -65.8584 -65.8584 -32.7965 -32.7965 -32.5100 -32.5100 -32.5068 -32.5068 1.8487 1.8487 1.9068 1.9068 2.5204 2.5204 3.6680 3.6680 3.8062 3.8062 4.0668 4.0668 9.3014 9.3014 15.2356 15.2356 16.0749 16.0749 17.4321 17.4321 18.0700 18.0700 k = 0.0000 0.2935-0.0000 ( 2084 PWs) bands (ev): -65.8584 -65.8584 -32.7966 -32.7966 -32.5101 -32.5101 -32.5068 -32.5068 1.8543 1.8543 1.9077 1.9077 2.5866 2.5866 3.6654 3.6654 3.8319 3.8319 4.0620 4.0620 9.0940 9.0940 15.3174 15.3174 16.1663 16.1663 17.4284 17.4284 18.1284 18.1284 k = 0.0000 0.3043-0.0000 ( 2084 PWs) bands (ev): -65.8584 -65.8584 -32.7966 -32.7966 -32.5103 -32.5103 -32.5068 -32.5068 1.8591 1.8591 1.9086 1.9086 2.6522 2.6522 3.6626 3.6626 3.8621 3.8621 4.0575 4.0575 8.8888 8.8888 15.4006 15.4006 16.2598 16.2598 17.4247 17.4247 18.1892 18.1892 k = 0.0000 0.3152-0.0000 ( 2088 PWs) bands (ev): -65.8583 -65.8583 -32.7967 -32.7967 -32.5104 -32.5104 -32.5067 -32.5067 1.8632 1.8632 1.9095 1.9095 2.7164 2.7164 3.6598 3.6598 3.8978 3.8978 4.0533 4.0533 8.6858 8.6858 15.4849 15.4849 16.3550 16.3550 17.4210 17.4210 18.2524 18.2524 k = 0.0000 0.3261-0.0000 ( 2088 PWs) bands (ev): -65.8583 -65.8583 -32.7968 -32.7968 -32.5106 -32.5106 -32.5067 -32.5067 1.8669 1.8669 1.9103 1.9103 2.7783 2.7783 3.6569 3.6569 3.9396 3.9396 4.0495 4.0495 8.4852 8.4852 15.5700 15.5700 16.4518 16.4518 17.4174 17.4174 18.3180 18.3180 k = 0.0000 0.3370-0.0000 ( 2088 PWs) bands (ev): -65.8583 -65.8583 -32.7968 -32.7968 -32.5107 -32.5107 -32.5067 -32.5067 1.8700 1.8700 1.9111 1.9111 2.8370 2.8370 3.6540 3.6540 3.9881 3.9881 4.0459 4.0459 8.2871 8.2871 15.6555 15.6555 16.5498 16.5498 17.4139 17.4139 18.3859 18.3859 k = 0.0000 0.3478-0.0000 ( 2080 PWs) bands (ev): -65.8583 -65.8583 -32.7969 -32.7969 -32.5108 -32.5108 -32.5067 -32.5067 1.8727 1.8727 1.9119 1.9119 2.8918 2.8918 3.6511 3.6511 4.0427 4.0427 4.0440 4.0440 8.0915 8.0915 15.7410 15.7410 16.6489 16.6489 17.4105 17.4105 18.4563 18.4563 k = 0.0000 0.3587-0.0000 ( 2080 PWs) bands (ev): -65.8583 -65.8583 -32.7969 -32.7969 -32.5109 -32.5109 -32.5067 -32.5067 1.8751 1.8751 1.9125 1.9125 2.9421 2.9421 3.6483 3.6483 4.0398 4.0398 4.1077 4.1077 7.8986 7.8986 15.8261 15.8261 16.7486 16.7486 17.4072 17.4072 18.5289 18.5289 k = 0.0000 0.3696-0.0000 ( 2076 PWs) bands (ev): -65.8583 -65.8583 -32.7970 -32.7970 -32.5110 -32.5110 -32.5066 -32.5066 1.8772 1.8772 1.9132 1.9132 2.9875 2.9875 3.6455 3.6455 4.0372 4.0372 4.1796 4.1796 7.7085 7.7085 15.9102 15.9102 16.8485 16.8485 17.4041 17.4041 18.6038 18.6038 k = 0.0000 0.3804-0.0000 ( 2096 PWs) bands (ev): -65.8583 -65.8583 -32.7971 -32.7971 -32.5112 -32.5112 -32.5067 -32.5067 1.8790 1.8790 1.9138 1.9138 3.0278 3.0278 3.6428 3.6428 4.0349 4.0349 4.2595 4.2595 7.5213 7.5213 15.9927 15.9927 16.9480 16.9480 17.4011 17.4011 18.6806 18.6806 k = 0.0000 0.3913-0.0000 ( 2096 PWs) bands (ev): -65.8583 -65.8583 -32.7971 -32.7971 -32.5113 -32.5113 -32.5067 -32.5067 1.8805 1.8805 1.9143 1.9143 3.0632 3.0632 3.6402 3.6402 4.0328 4.0328 4.3472 4.3472 7.3371 7.3371 16.0731 16.0731 17.0466 17.0466 17.3983 17.3983 18.7593 18.7593 k = 0.0000 0.4022-0.0000 ( 2088 PWs) bands (ev): -65.8583 -65.8583 -32.7971 -32.7971 -32.5114 -32.5114 -32.5066 -32.5066 1.8818 1.8818 1.9148 1.9148 3.0937 3.0937 3.6378 3.6378 4.0310 4.0310 4.4425 4.4425 7.1562 7.1562 16.1505 16.1505 17.1435 17.1435 17.3957 17.3957 18.8397 18.8397 k = 0.0000 0.4130-0.0000 ( 2088 PWs) bands (ev): -65.8583 -65.8583 -32.7972 -32.7972 -32.5115 -32.5115 -32.5066 -32.5066 1.8829 1.8829 1.9152 1.9152 3.1198 3.1198 3.6356 3.6356 4.0294 4.0294 4.5446 4.5446 6.9788 6.9788 16.2241 16.2241 17.2377 17.2377 17.3935 17.3935 18.9210 18.9210 k = 0.0000 0.4239-0.0000 ( 2092 PWs) bands (ev): -65.8583 -65.8583 -32.7972 -32.7972 -32.5116 -32.5116 -32.5066 -32.5066 1.8839 1.8839 1.9156 1.9156 3.1417 3.1417 3.6336 3.6336 4.0281 4.0281 4.6529 4.6529 6.8052 6.8052 16.2928 16.2928 17.3276 17.3276 17.3918 17.3918 19.0029 19.0029 k = 0.0000 0.4348-0.0000 ( 2096 PWs) bands (ev): -65.8583 -65.8583 -32.7973 -32.7973 -32.5117 -32.5117 -32.5066 -32.5066 1.8846 1.8846 1.9159 1.9159 3.1599 3.1599 3.6317 3.6317 4.0269 4.0269 4.7665 4.7665 6.6358 6.6358 16.3558 16.3558 17.3871 17.3871 17.4156 17.4156 19.0842 19.0842 k = 0.0000 0.4457-0.0000 ( 2096 PWs) bands (ev): -65.8583 -65.8583 -32.7973 -32.7973 -32.5117 -32.5117 -32.5066 -32.5066 1.8853 1.8853 1.9162 1.9162 3.1747 3.1747 3.6302 3.6302 4.0260 4.0260 4.8842 4.8842 6.4715 6.4715 16.4118 16.4118 17.3869 17.3869 17.4922 17.4922 19.1635 19.1635 k = 0.0000 0.4565-0.0000 ( 2096 PWs) bands (ev): -65.8583 -65.8583 -32.7973 -32.7973 -32.5118 -32.5118 -32.5066 -32.5066 1.8858 1.8858 1.9164 1.9164 3.1864 3.1864 3.6289 3.6289 4.0252 4.0252 5.0046 5.0046 6.3136 6.3136 16.4597 16.4597 17.3858 17.3858 17.5608 17.5608 19.2386 19.2386 k = 0.0000 0.4674-0.0000 ( 2096 PWs) bands (ev): -65.8583 -65.8583 -32.7973 -32.7973 -32.5118 -32.5118 -32.5066 -32.5066 1.8861 1.8861 1.9166 1.9166 3.1952 3.1952 3.6279 3.6279 4.0246 4.0246 5.1246 5.1246 6.1645 6.1645 16.4983 16.4983 17.3848 17.3848 17.6180 17.6180 19.3060 19.3060 k = 0.0000 0.4783-0.0000 ( 2088 PWs) bands (ev): -65.8583 -65.8583 -32.7973 -32.7973 -32.5118 -32.5118 -32.5066 -32.5066 1.8864 1.8864 1.9167 1.9167 3.2014 3.2014 3.6271 3.6271 4.0242 4.0242 5.2382 5.2382 6.0304 6.0304 16.5268 16.5268 17.3841 17.3841 17.6613 17.6613 19.3611 19.3611 k = 0.0000 0.4891-0.0000 ( 2088 PWs) bands (ev): -65.8583 -65.8583 -32.7973 -32.7973 -32.5118 -32.5118 -32.5066 -32.5066 1.8866 1.8866 1.9168 1.9168 3.2050 3.2050 3.6267 3.6267 4.0240 4.0240 5.3307 5.3307 5.9257 5.9257 16.5442 16.5442 17.3837 17.3837 17.6883 17.6883 19.3979 19.3979 k = 0.0000 0.5000-0.0000 ( 2088 PWs) bands (ev): -65.8583 -65.8583 -32.7973 -32.7973 -32.5118 -32.5118 -32.5066 -32.5066 1.8866 1.8866 1.9168 1.9168 3.2062 3.2062 3.6265 3.6265 4.0239 4.0239 5.3699 5.3699 5.8824 5.8824 16.5501 16.5501 17.3835 17.3835 17.6975 17.6975 19.4110 19.4110 k = 0.0000 0.5000-0.0000 ( 2088 PWs) bands (ev): -65.8583 -65.8583 -32.7973 -32.7973 -32.5118 -32.5118 -32.5066 -32.5066 1.8866 1.8866 1.9168 1.9168 3.2062 3.2062 3.6265 3.6265 4.0239 4.0239 5.3699 5.3699 5.8824 5.8824 16.5501 16.5501 17.3835 17.3835 17.6975 17.6975 19.4110 19.4110 k = 0.0109 0.5000-0.0000 ( 2096 PWs) bands (ev): -65.8583 -65.8583 -32.7974 -32.7974 -32.5118 -32.5118 -32.5066 -32.5066 1.8869 1.8869 1.9169 1.9169 3.2067 3.2067 3.6262 3.6262 4.0234 4.0234 5.3702 5.3702 5.8851 5.8851 16.5411 16.5411 17.3758 17.3758 17.6819 17.6819 19.4329 19.4329 k = 0.0217 0.5000-0.0000 ( 2096 PWs) bands (ev): -65.8583 -65.8583 -32.7974 -32.7974 -32.5118 -32.5118 -32.5066 -32.5066 1.8877 1.8877 1.9173 1.9173 3.2081 3.2081 3.6255 3.6255 4.0218 4.0218 5.3713 5.3713 5.8933 5.8933 16.5129 16.5129 17.3528 17.3528 17.6399 17.6399 19.4942 19.4942 k = 0.0326 0.5000-0.0000 ( 2096 PWs) bands (ev): -65.8583 -65.8583 -32.7974 -32.7974 -32.5118 -32.5118 -32.5066 -32.5066 1.8889 1.8889 1.9180 1.9180 3.2105 3.2105 3.6241 3.6241 4.0193 4.0193 5.3731 5.3731 5.9069 5.9069 16.4628 16.4628 17.3146 17.3146 17.5827 17.5827 19.5361 19.5361 k = 0.0435 0.5000-0.0000 ( 2096 PWs) bands (ev): -65.8583 -65.8583 -32.7974 -32.7974 -32.5119 -32.5119 -32.5067 -32.5067 1.8905 1.8905 1.9191 1.9191 3.2139 3.2139 3.6224 3.6224 4.0158 4.0158 5.3758 5.3758 5.9258 5.9258 16.3874 16.3874 17.2610 17.2610 17.5234 17.5234 19.4520 19.4520 k = 0.0543 0.5000-0.0000 ( 2096 PWs) bands (ev): -65.8583 -65.8583 -32.7974 -32.7974 -32.5119 -32.5119 -32.5067 -32.5067 1.8925 1.8925 1.9205 1.9205 3.2184 3.2184 3.6202 3.6202 4.0115 4.0115 5.3794 5.3794 5.9497 5.9497 16.2846 16.2846 17.1922 17.1922 17.4727 17.4727 19.3727 19.3727 k = 0.0652 0.5000-0.0000 ( 2092 PWs) bands (ev): -65.8582 -65.8582 -32.7974 -32.7974 -32.5119 -32.5119 -32.5067 -32.5067 1.8945 1.8945 1.9222 1.9222 3.2239 3.2239 3.6176 3.6176 4.0065 4.0065 5.3839 5.3839 5.9785 5.9785 16.1547 16.1547 17.1082 17.1082 17.4373 17.4373 19.3039 19.3039 k = 0.0761 0.5000-0.0000 ( 2094 PWs) bands (ev): -65.8582 -65.8582 -32.7974 -32.7974 -32.5119 -32.5119 -32.5068 -32.5068 1.8966 1.8966 1.9244 1.9244 3.2307 3.2307 3.6147 3.6147 4.0007 4.0007 5.3895 5.3895 6.0120 6.0120 16.0007 16.0007 17.0092 17.0092 17.4190 17.4190 19.2476 19.2476 k = 0.0870 0.5000-0.0000 ( 2098 PWs) bands (ev): -65.8582 -65.8582 -32.7975 -32.7975 -32.5119 -32.5119 -32.5068 -32.5068 1.8986 1.8986 1.9269 1.9269 3.2387 3.2387 3.6116 3.6116 3.9945 3.9945 5.3962 5.3962 6.0500 6.0500 15.8271 15.8271 16.8966 16.8966 17.4168 17.4168 19.2045 19.2045 k = 0.0978 0.5000-0.0000 ( 2098 PWs) bands (ev): -65.8582 -65.8582 -32.7975 -32.7975 -32.5119 -32.5119 -32.5069 -32.5069 1.9005 1.9005 1.9298 1.9298 3.2480 3.2480 3.6083 3.6083 3.9878 3.9878 5.4042 5.4042 6.0921 6.0921 15.6382 15.6382 16.7720 16.7720 17.4285 17.4285 19.1744 19.1744 k = 0.1087 0.5000-0.0000 ( 2098 PWs) bands (ev): -65.8582 -65.8582 -32.7976 -32.7976 -32.5119 -32.5119 -32.5070 -32.5070 1.9022 1.9022 1.9329 1.9329 3.2586 3.2586 3.6049 3.6049 3.9809 3.9809 5.4135 5.4135 6.1383 6.1383 15.4380 15.4380 16.6371 16.6371 17.4518 17.4518 19.1564 19.1564 k = 0.1196 0.5000-0.0000 ( 2094 PWs) bands (ev): -65.8582 -65.8582 -32.7976 -32.7976 -32.5119 -32.5119 -32.5070 -32.5070 1.9037 1.9037 1.9360 1.9360 3.2707 3.2707 3.6014 3.6014 3.9739 3.9739 5.4243 5.4243 6.1882 6.1882 15.2295 15.2295 16.4938 16.4938 17.4848 17.4848 19.1493 19.1493 k = 0.1304 0.5000-0.0000 ( 2094 PWs) bands (ev): -65.8582 -65.8582 -32.7976 -32.7976 -32.5120 -32.5120 -32.5071 -32.5071 1.9050 1.9050 1.9390 1.9390 3.2842 3.2842 3.5980 3.5980 3.9668 3.9668 5.4365 5.4365 6.2417 6.2417 15.0149 15.0149 16.3435 16.3435 17.5262 17.5262 19.1522 19.1522 k = 0.1413 0.5000-0.0000 ( 2100 PWs) bands (ev): -65.8582 -65.8582 -32.7977 -32.7977 -32.5120 -32.5120 -32.5072 -32.5072 1.9062 1.9062 1.9417 1.9417 3.2992 3.2992 3.5947 3.5947 3.9600 3.9600 5.4504 5.4504 6.2985 6.2985 14.7960 14.7960 16.1877 16.1877 17.5749 17.5749 19.1639 19.1639 k = 0.1522 0.5000-0.0000 ( 2108 PWs) bands (ev): -65.8582 -65.8582 -32.7978 -32.7978 -32.5120 -32.5120 -32.5073 -32.5073 1.9073 1.9073 1.9441 1.9441 3.3155 3.3155 3.5916 3.5916 3.9535 3.9535 5.4660 5.4660 6.3585 6.3585 14.5740 14.5740 16.0276 16.0276 17.6301 17.6301 19.1835 19.1835 k = 0.1630 0.5000-0.0000 ( 2104 PWs) bands (ev): -65.8582 -65.8582 -32.7978 -32.7978 -32.5121 -32.5121 -32.5073 -32.5073 1.9083 1.9083 1.9459 1.9459 3.3332 3.3332 3.5886 3.5886 3.9475 3.9475 5.4836 5.4836 6.4214 6.4214 14.3500 14.3500 15.8645 15.8645 17.6912 17.6912 19.2104 19.2104 k = 0.1739 0.5000-0.0000 ( 2104 PWs) bands (ev): -65.8582 -65.8582 -32.7979 -32.7979 -32.5121 -32.5121 -32.5074 -32.5074 1.9092 1.9092 1.9470 1.9470 3.3521 3.3521 3.5859 3.5859 3.9423 3.9423 5.5031 5.5031 6.4871 6.4871 14.1248 14.1248 15.6991 15.6991 17.7577 17.7577 19.2436 19.2436 k = 0.1848 0.5000-0.0000 ( 2108 PWs) bands (ev): -65.8582 -65.8582 -32.7979 -32.7979 -32.5121 -32.5121 -32.5075 -32.5075 1.9100 1.9100 1.9475 1.9475 3.3719 3.3719 3.5834 3.5834 3.9380 3.9380 5.5248 5.5248 6.5554 6.5554 13.8990 13.8990 15.5322 15.5322 17.8293 17.8293 19.2828 19.2828 k = 0.1957 0.5000-0.0000 ( 2108 PWs) bands (ev): -65.8582 -65.8582 -32.7980 -32.7980 -32.5122 -32.5122 -32.5076 -32.5076 1.9108 1.9108 1.9472 1.9472 3.3924 3.3924 3.5813 3.5813 3.9348 3.9348 5.5488 5.5488 6.6261 6.6261 13.6731 13.6731 15.3645 15.3645 17.9055 17.9055 19.3273 19.3273 k = 0.2065 0.5000-0.0000 ( 2106 PWs) bands (ev): -65.8582 -65.8582 -32.7980 -32.7980 -32.5122 -32.5122 -32.5077 -32.5077 1.9114 1.9114 1.9461 1.9461 3.4132 3.4132 3.5795 3.5795 3.9332 3.9332 5.5754 5.5754 6.6990 6.6990 13.4474 13.4474 15.1965 15.1965 17.9861 17.9861 19.3768 19.3768 k = 0.2174 0.5000-0.0000 ( 2102 PWs) bands (ev): -65.8581 -65.8581 -32.7981 -32.7981 -32.5123 -32.5123 -32.5077 -32.5077 1.9119 1.9119 1.9443 1.9443 3.4340 3.4340 3.5780 3.5780 3.9333 3.9333 5.6047 5.6047 6.7740 6.7740 13.2225 13.2225 15.0287 15.0287 18.0708 18.0708 19.4310 19.4310 k = 0.2283 0.5000-0.0000 ( 2102 PWs) bands (ev): -65.8581 -65.8581 -32.7981 -32.7981 -32.5123 -32.5123 -32.5078 -32.5078 1.9122 1.9122 1.9418 1.9418 3.4543 3.4543 3.5768 3.5768 3.9355 3.9355 5.6369 5.6369 6.8508 6.8508 12.9984 12.9984 14.8615 14.8615 18.1595 18.1595 19.4895 19.4895 k = 0.2391 0.5000-0.0000 ( 2094 PWs) bands (ev): -65.8581 -65.8581 -32.7982 -32.7982 -32.5124 -32.5124 -32.5078 -32.5078 1.9123 1.9123 1.9388 1.9388 3.4736 3.4736 3.5760 3.5760 3.9400 3.9400 5.6723 5.6723 6.9294 6.9294 12.7756 12.7756 14.6953 14.6953 18.2517 18.2517 19.5521 19.5521 k = 0.2500 0.5000-0.0000 ( 2094 PWs) bands (ev): -65.8581 -65.8581 -32.7982 -32.7982 -32.5124 -32.5124 -32.5079 -32.5079 1.9121 1.9121 1.9353 1.9353 3.4913 3.4913 3.5754 3.5754 3.9472 3.9472 5.7110 5.7110 7.0095 7.0095 12.5542 12.5542 14.5305 14.5305 18.3473 18.3473 19.6186 19.6186 k = 0.2609 0.5000-0.0000 ( 2098 PWs) bands (ev): -65.8581 -65.8581 -32.7983 -32.7983 -32.5125 -32.5125 -32.5080 -32.5080 1.9113 1.9113 1.9316 1.9316 3.5072 3.5072 3.5752 3.5752 3.9571 3.9571 5.7533 5.7533 7.0910 7.0910 12.3344 12.3344 14.3672 14.3672 18.4460 18.4460 19.6887 19.6887 k = 0.2717 0.5000-0.0000 ( 2104 PWs) bands (ev): -65.8581 -65.8581 -32.7984 -32.7984 -32.5126 -32.5126 -32.5080 -32.5080 1.9096 1.9096 1.9283 1.9283 3.5209 3.5209 3.5753 3.5753 3.9698 3.9698 5.7996 5.7996 7.1736 7.1736 12.1165 12.1165 14.2059 14.2059 18.5476 18.5476 19.7624 19.7624 k = 0.2826 0.5000-0.0000 ( 2100 PWs) bands (ev): -65.8581 -65.8581 -32.7984 -32.7984 -32.5126 -32.5126 -32.5081 -32.5081 1.9066 1.9066 1.9258 1.9258 3.5322 3.5322 3.5756 3.5756 3.9852 3.9852 5.8498 5.8498 7.2571 7.2571 11.9006 11.9006 14.0470 14.0470 18.6517 18.6517 19.8394 19.8394 k = 0.2935 0.5000-0.0000 ( 2100 PWs) bands (ev): -65.8581 -65.8581 -32.7985 -32.7985 -32.5127 -32.5127 -32.5081 -32.5081 1.9022 1.9022 1.9242 1.9242 3.5412 3.5412 3.5761 3.5761 4.0030 4.0030 5.9045 5.9045 7.3413 7.3413 11.6869 11.6869 13.8905 13.8905 18.7579 18.7579 19.9195 19.9195 k = 0.3043 0.5000-0.0000 ( 2108 PWs) bands (ev): -65.8581 -65.8581 -32.7986 -32.7986 -32.5128 -32.5128 -32.5082 -32.5082 1.8968 1.8968 1.9232 1.9232 3.5482 3.5482 3.5766 3.5766 4.0229 4.0229 5.9636 5.9636 7.4258 7.4258 11.4756 11.4756 13.7369 13.7369 18.8661 18.8661 20.0024 20.0024 k = 0.3152 0.5000-0.0000 ( 2108 PWs) bands (ev): -65.8581 -65.8581 -32.7986 -32.7986 -32.5129 -32.5129 -32.5082 -32.5082 1.8906 1.8906 1.9228 1.9228 3.5534 3.5534 3.5771 3.5771 4.0442 4.0442 6.0274 6.0274 7.5105 7.5105 11.2670 11.2670 13.5865 13.5865 18.9757 18.9757 20.0859 20.0859 k = 0.3261 0.5000-0.0000 ( 2112 PWs) bands (ev): -65.8581 -65.8581 -32.7987 -32.7987 -32.5130 -32.5130 -32.5083 -32.5083 1.8841 1.8841 1.9226 1.9226 3.5573 3.5573 3.5773 3.5773 4.0665 4.0665 6.0960 6.0960 7.5950 7.5950 11.0611 11.0611 13.4396 13.4396 19.0862 19.0862 20.1401 20.1401 k = 0.3370 0.5000-0.0000 ( 2112 PWs) bands (ev): -65.8580 -65.8580 -32.7987 -32.7987 -32.5131 -32.5131 -32.5083 -32.5083 1.8774 1.8774 1.9225 1.9225 3.5602 3.5602 3.5772 3.5772 4.0893 4.0893 6.1695 6.1695 7.6789 7.6789 10.8582 10.8582 13.2967 13.2967 19.1972 19.1972 20.1660 20.1660 k = 0.3478 0.5000-0.0000 ( 2108 PWs) bands (ev): -65.8580 -65.8580 -32.7988 -32.7988 -32.5131 -32.5131 -32.5083 -32.5083 1.8706 1.8706 1.9225 1.9225 3.5622 3.5622 3.5769 3.5769 4.1120 4.1120 6.2480 6.2480 7.7617 7.7617 10.6586 10.6586 13.1581 13.1581 19.3081 19.3081 20.1897 20.1897 k = 0.3587 0.5000-0.0000 ( 2116 PWs) bands (ev): -65.8580 -65.8580 -32.7989 -32.7989 -32.5132 -32.5132 -32.5084 -32.5084 1.8638 1.8638 1.9225 1.9225 3.5634 3.5634 3.5765 3.5765 4.1343 4.1343 6.3315 6.3315 7.8430 7.8430 10.4626 10.4626 13.0242 13.0242 19.4181 19.4181 20.2127 20.2128 k = 0.3696 0.5000-0.0000 ( 2116 PWs) bands (ev): -65.8580 -65.8580 -32.7989 -32.7989 -32.5133 -32.5133 -32.5084 -32.5084 1.8573 1.8573 1.9226 1.9226 3.5640 3.5640 3.5762 3.5762 4.1558 4.1558 6.4199 6.4199 7.9220 7.9220 10.2706 10.2706 12.8956 12.8956 19.5263 19.5263 20.2353 20.2353 k = 0.3804 0.5000-0.0000 ( 2114 PWs) bands (ev): -65.8580 -65.8580 -32.7989 -32.7989 -32.5134 -32.5134 -32.5084 -32.5084 1.8510 1.8510 1.9226 1.9226 3.5638 3.5638 3.5761 3.5761 4.1762 4.1762 6.5130 6.5130 7.9981 7.9981 10.0829 10.0829 12.7728 12.7728 19.6320 19.6320 20.2571 20.2571 k = 0.3913 0.5000-0.0000 ( 2114 PWs) bands (ev): -65.8580 -65.8580 -32.7990 -32.7990 -32.5134 -32.5134 -32.5084 -32.5084 1.8450 1.8450 1.9227 1.9227 3.5630 3.5630 3.5764 3.5764 4.1953 4.1953 6.6106 6.6106 8.0703 8.0703 9.9003 9.9003 12.6566 12.6566 19.7340 19.7340 20.2780 20.2780 k = 0.4022 0.5000-0.0000 ( 2110 PWs) bands (ev): -65.8580 -65.8580 -32.7990 -32.7990 -32.5135 -32.5135 -32.5084 -32.5084 1.8393 1.8393 1.9227 1.9227 3.5617 3.5617 3.5769 3.5769 4.2129 4.2129 6.7124 6.7124 8.1376 8.1376 9.7237 9.7237 12.5474 12.5474 19.8311 19.8311 20.2979 20.2979 k = 0.4130 0.5000-0.0000 ( 2110 PWs) bands (ev): -65.8580 -65.8580 -32.7990 -32.7990 -32.5135 -32.5135 -32.5085 -32.5085 1.8342 1.8342 1.9228 1.9228 3.5602 3.5602 3.5775 3.5775 4.2288 4.2288 6.8178 6.8178 8.1983 8.1983 9.5541 9.5541 12.4463 12.4463 19.9221 19.9221 20.3165 20.3165 k = 0.4239 0.5000-0.0000 ( 2110 PWs) bands (ev): -65.8580 -65.8580 -32.7991 -32.7991 -32.5136 -32.5136 -32.5085 -32.5085 1.8295 1.8295 1.9228 1.9228 3.5587 3.5587 3.5782 3.5782 4.2430 4.2430 6.9263 6.9263 8.2506 8.2506 9.3937 9.3937 12.3538 12.3538 20.0057 20.0057 20.3336 20.3336 k = 0.4348 0.5000-0.0000 ( 2112 PWs) bands (ev): -65.8580 -65.8580 -32.7991 -32.7991 -32.5136 -32.5136 -32.5085 -32.5085 1.8253 1.8253 1.9228 1.9228 3.5571 3.5571 3.5788 3.5788 4.2554 4.2554 7.0366 7.0366 8.2916 8.2916 9.2451 9.2451 12.2711 12.2711 20.0806 20.0806 20.3488 20.3488 k = 0.4457 0.5000-0.0000 ( 2112 PWs) bands (ev): -65.8580 -65.8580 -32.7991 -32.7991 -32.5137 -32.5137 -32.5085 -32.5085 1.8218 1.8218 1.9229 1.9229 3.5557 3.5557 3.5794 3.5794 4.2659 4.2659 7.1474 7.1474 8.3178 8.3178 9.1127 9.1127 12.1989 12.1989 20.1456 20.1456 20.3622 20.3622 k = 0.4565 0.5000-0.0000 ( 2112 PWs) bands (ev): -65.8580 -65.8580 -32.7991 -32.7991 -32.5137 -32.5137 -32.5085 -32.5085 1.8188 1.8188 1.9229 1.9229 3.5545 3.5545 3.5800 3.5800 4.2745 4.2745 7.2560 7.2560 8.3249 8.3249 9.0023 9.0023 12.1382 12.1382 20.1997 20.1997 20.3737 20.3737 k = 0.4674 0.5000-0.0000 ( 2108 PWs) bands (ev): -65.8580 -65.8580 -32.7992 -32.7992 -32.5137 -32.5137 -32.5085 -32.5085 1.8165 1.8165 1.9229 1.9229 3.5535 3.5535 3.5804 3.5804 4.2813 4.2813 7.3584 7.3584 8.3104 8.3104 8.9198 8.9198 12.0900 12.0900 20.2424 20.2424 20.3827 20.3827 k = 0.4783 0.5000-0.0000 ( 2096 PWs) bands (ev): -65.8580 -65.8580 -32.7991 -32.7991 -32.5137 -32.5137 -32.5085 -32.5085 1.8148 1.8148 1.9229 1.9229 3.5528 3.5528 3.5807 3.5807 4.2861 4.2861 7.4474 7.4474 8.2789 8.2789 8.8669 8.8669 12.0549 12.0549 20.2732 20.2732 20.3892 20.3892 k = 0.4891 0.5000-0.0000 ( 2096 PWs) bands (ev): -65.8580 -65.8580 -32.7991 -32.7991 -32.5137 -32.5137 -32.5085 -32.5085 1.8138 1.8138 1.9229 1.9229 3.5523 3.5523 3.5809 3.5809 4.2890 4.2890 7.5111 7.5111 8.2456 8.2456 8.8393 8.8393 12.0336 12.0336 20.2916 20.2916 20.3932 20.3932 k = 0.5000 0.5000-0.0000 ( 2096 PWs) bands (ev): -65.8580 -65.8580 -32.7991 -32.7991 -32.5137 -32.5137 -32.5085 -32.5085 1.8135 1.8135 1.9229 1.9229 3.5522 3.5522 3.5809 3.5809 4.2899 4.2899 7.5349 7.5349 8.2312 8.2312 8.8310 8.8310 12.0264 12.0264 20.2978 20.2978 20.3945 20.3945 k = 0.5000 0.5000-0.0000 ( 2096 PWs) bands (ev): -65.8580 -65.8580 -32.7991 -32.7991 -32.5137 -32.5137 -32.5085 -32.5085 1.8135 1.8135 1.9229 1.9229 3.5522 3.5522 3.5809 3.5809 4.2899 4.2899 7.5349 7.5349 8.2312 8.2312 8.8310 8.8310 12.0264 12.0264 20.2978 20.2978 20.3945 20.3945 k = 0.4923 0.4923-0.0000 ( 2096 PWs) bands (ev): -65.8580 -65.8580 -32.7991 -32.7991 -32.5137 -32.5137 -32.5085 -32.5085 1.8138 1.8138 1.9229 1.9229 3.5523 3.5523 3.5809 3.5809 4.2890 4.2890 7.5109 7.5109 8.2461 8.2461 8.8390 8.8390 12.0336 12.0336 20.2914 20.2914 20.3933 20.3933 k = 0.4846 0.4846-0.0000 ( 2096 PWs) bands (ev): -65.8580 -65.8580 -32.7991 -32.7991 -32.5137 -32.5137 -32.5085 -32.5085 1.8148 1.8148 1.9229 1.9229 3.5528 3.5528 3.5807 3.5807 4.2861 4.2861 7.4451 7.4451 8.2848 8.2848 8.8630 8.8630 12.0551 12.0551 20.2706 20.2706 20.3917 20.3917 k = 0.4769 0.4769-0.0000 ( 2108 PWs) bands (ev): -65.8580 -65.8580 -32.7991 -32.7991 -32.5137 -32.5137 -32.5085 -32.5085 1.8165 1.8165 1.9229 1.9229 3.5535 3.5535 3.5804 3.5804 4.2813 4.2813 7.3500 7.3500 8.3358 8.3358 8.9019 8.9019 12.0909 12.0909 20.2322 20.2322 20.3922 20.3922 k = 0.4692 0.4692-0.0000 ( 2106 PWs) bands (ev): -65.8580 -65.8580 -32.7991 -32.7991 -32.5137 -32.5137 -32.5085 -32.5085 1.8188 1.8188 1.9229 1.9229 3.5545 3.5545 3.5800 3.5800 4.2748 4.2748 7.2359 7.2359 8.3905 8.3905 8.9542 8.9542 12.1409 12.1409 20.1757 20.1757 20.3960 20.3960 k = 0.4615 0.4615-0.0000 ( 2108 PWs) bands (ev): -65.8580 -65.8580 -32.7991 -32.7991 -32.5136 -32.5136 -32.5085 -32.5085 1.8218 1.8218 1.9229 1.9229 3.5556 3.5556 3.5795 3.5795 4.2664 4.2664 7.1097 7.1097 8.4449 8.4449 9.0170 9.0170 12.2049 12.2049 20.1021 20.1021 20.4019 20.4019 k = 0.4538 0.4538-0.0000 ( 2108 PWs) bands (ev): -65.8580 -65.8580 -32.7991 -32.7991 -32.5136 -32.5136 -32.5085 -32.5085 1.8254 1.8254 1.9228 1.9228 3.5569 3.5569 3.5791 3.5791 4.2565 4.2565 6.9755 6.9755 8.4980 8.4980 9.0873 9.0873 12.2828 12.2828 20.0132 20.0132 20.4083 20.4083 k = 0.4462 0.4462-0.0000 ( 2104 PWs) bands (ev): -65.8580 -65.8580 -32.7991 -32.7991 -32.5135 -32.5135 -32.5085 -32.5085 1.8295 1.8295 1.9228 1.9228 3.5582 3.5582 3.5787 3.5787 4.2450 4.2450 6.8359 6.8359 8.5505 8.5505 9.1621 9.1621 12.3742 12.3742 19.9110 19.9110 20.4128 20.4128 k = 0.4385 0.4385-0.0000 ( 2106 PWs) bands (ev): -65.8580 -65.8580 -32.7990 -32.7990 -32.5135 -32.5135 -32.5085 -32.5085 1.8342 1.8342 1.9228 1.9228 3.5592 3.5592 3.5787 3.5787 4.2322 4.2322 6.6929 6.6929 8.6032 8.6032 9.2388 9.2388 12.4787 12.4787 19.7977 19.7977 20.4111 20.4111 k = 0.4308 0.4308-0.0000 ( 2104 PWs) bands (ev): -65.8580 -65.8580 -32.7990 -32.7990 -32.5134 -32.5134 -32.5084 -32.5084 1.8394 1.8394 1.9227 1.9227 3.5597 3.5597 3.5792 3.5792 4.2181 4.2181 6.5477 6.5477 8.6572 8.6572 9.3158 9.3158 12.5958 12.5958 19.6753 19.6753 20.3979 20.3979 k = 0.4231 0.4231-0.0000 ( 2106 PWs) bands (ev): -65.8580 -65.8580 -32.7989 -32.7989 -32.5134 -32.5134 -32.5084 -32.5084 1.8450 1.8450 1.9226 1.9226 3.5595 3.5595 3.5803 3.5803 4.2029 4.2029 6.4012 6.4012 8.7132 8.7132 9.3917 9.3917 12.7248 12.7248 19.5455 19.5455 20.3670 20.3670 k = 0.4154 0.4154-0.0000 ( 2106 PWs) bands (ev): -65.8580 -65.8580 -32.7989 -32.7989 -32.5133 -32.5133 -32.5084 -32.5084 1.8511 1.8511 1.9225 1.9225 3.5583 3.5583 3.5823 3.5823 4.1869 4.1869 6.2542 6.2542 8.7716 8.7716 9.4661 9.4661 12.8651 12.8651 19.4101 19.4101 20.3160 20.3160 k = 0.4077 0.4077-0.0000 ( 2114 PWs) bands (ev): -65.8580 -65.8580 -32.7989 -32.7989 -32.5132 -32.5132 -32.5084 -32.5084 1.8575 1.8575 1.9224 1.9224 3.5562 3.5562 3.5850 3.5850 4.1701 4.1701 6.1073 6.1073 8.8327 8.8327 9.5384 9.5384 13.0159 13.0159 19.2705 19.2705 20.2478 20.2478 k = 0.4000 0.4000-0.0000 ( 2114 PWs) bands (ev): -65.8580 -65.8580 -32.7988 -32.7988 -32.5131 -32.5131 -32.5084 -32.5084 1.8642 1.8642 1.9223 1.9223 3.5533 3.5533 3.5882 3.5882 4.1527 4.1527 5.9611 5.9611 8.8969 8.8969 9.6087 9.6087 13.1765 13.1765 19.1277 19.1277 20.1683 20.1683 k = 0.3923 0.3923-0.0000 ( 2110 PWs) bands (ev): -65.8580 -65.8580 -32.7988 -32.7988 -32.5130 -32.5130 -32.5084 -32.5084 1.8711 1.8711 1.9221 1.9221 3.5496 3.5496 3.5919 3.5919 4.1350 4.1350 5.8160 5.8160 8.9641 8.9641 9.6772 9.6772 13.3460 13.3460 18.9828 18.9828 20.0828 20.0828 k = 0.3846 0.3846-0.0000 ( 2110 PWs) bands (ev): -65.8580 -65.8580 -32.7987 -32.7987 -32.5129 -32.5129 -32.5084 -32.5084 1.8782 1.8782 1.9219 1.9219 3.5450 3.5450 3.5958 3.5958 4.1172 4.1172 5.6724 5.6724 9.0344 9.0344 9.7441 9.7441 13.5236 13.5236 18.8365 18.8365 19.9946 19.9946 k = 0.3769 0.3769-0.0000 ( 2109 PWs) bands (ev): -65.8581 -65.8581 -32.7986 -32.7986 -32.5128 -32.5128 -32.5084 -32.5084 1.8853 1.8853 1.9218 1.9218 3.5394 3.5394 3.5999 3.5999 4.0993 4.0993 5.5309 5.5309 9.1077 9.1077 9.8097 9.8097 13.7086 13.7086 18.6896 18.6896 19.9060 19.9060 k = 0.3692 0.3692-0.0000 ( 2109 PWs) bands (ev): -65.8581 -65.8581 -32.7986 -32.7986 -32.5127 -32.5127 -32.5083 -32.5083 1.8925 1.8925 1.9216 1.9216 3.5327 3.5327 3.6042 3.6042 4.0818 4.0818 5.3916 5.3916 9.1840 9.1840 9.8744 9.8744 13.9002 13.9002 18.5425 18.5425 19.8185 19.8185 k = 0.3615 0.3615-0.0000 ( 2111 PWs) bands (ev): -65.8581 -65.8581 -32.7985 -32.7985 -32.5126 -32.5126 -32.5083 -32.5083 1.8995 1.8995 1.9215 1.9215 3.5248 3.5248 3.6085 3.6085 4.0646 4.0646 5.2551 5.2551 9.2632 9.2632 9.9386 9.9386 14.0976 14.0976 18.3957 18.3957 19.7330 19.7330 k = 0.3538 0.3538-0.0000 ( 2111 PWs) bands (ev): -65.8581 -65.8581 -32.7985 -32.7985 -32.5125 -32.5125 -32.5083 -32.5083 1.9061 1.9061 1.9216 1.9216 3.5153 3.5153 3.6127 3.6127 4.0482 4.0482 5.1217 5.1217 9.3452 9.3452 10.0026 10.0026 14.3001 14.3001 18.2497 18.2497 19.6502 19.6502 k = 0.3462 0.3462-0.0000 ( 2109 PWs) bands (ev): -65.8581 -65.8581 -32.7984 -32.7984 -32.5124 -32.5124 -32.5083 -32.5083 1.9118 1.9118 1.9225 1.9225 3.5039 3.5039 3.6169 3.6169 4.0325 4.0325 4.9920 4.9920 9.4299 9.4299 10.0668 10.0668 14.5070 14.5070 18.1047 18.1047 19.5708 19.5708 k = 0.3385 0.3385-0.0000 ( 2111 PWs) bands (ev): -65.8581 -65.8581 -32.7983 -32.7983 -32.5123 -32.5123 -32.5082 -32.5082 1.9152 1.9152 1.9253 1.9253 3.4903 3.4903 3.6209 3.6209 4.0179 4.0179 4.8664 4.8664 9.5172 9.5172 10.1316 10.1316 14.7174 14.7174 17.9611 17.9611 19.4952 19.4952 k = 0.3308 0.3308-0.0000 ( 2103 PWs) bands (ev): -65.8581 -65.8581 -32.7982 -32.7982 -32.5121 -32.5121 -32.5082 -32.5082 1.9162 1.9162 1.9302 1.9302 3.4740 3.4740 3.6247 3.6247 4.0046 4.0046 4.7455 4.7455 9.6070 9.6070 10.1972 10.1972 14.9307 14.9307 17.8192 17.8192 19.4239 19.4239 k = 0.3231 0.3231-0.0000 ( 2119 PWs) bands (ev): -65.8581 -65.8581 -32.7982 -32.7982 -32.5120 -32.5120 -32.5082 -32.5082 1.9161 1.9161 1.9357 1.9357 3.4542 3.4542 3.6283 3.6283 3.9926 3.9926 4.6301 4.6301 9.6989 9.6989 10.2641 10.2641 15.1458 15.1458 17.6790 17.6790 19.3576 19.3576 k = 0.3154 0.3154-0.0000 ( 2115 PWs) bands (ev): -65.8582 -65.8582 -32.7981 -32.7981 -32.5119 -32.5119 -32.5082 -32.5082 1.9156 1.9156 1.9412 1.9412 3.4305 3.4305 3.6315 3.6315 3.9821 3.9821 4.5209 4.5209 9.7931 9.7931 10.3326 10.3326 15.3620 15.3620 17.5411 17.5411 19.2968 19.2968 k = 0.3077 0.3077-0.0000 ( 2109 PWs) bands (ev): -65.8582 -65.8582 -32.7980 -32.7980 -32.5117 -32.5117 -32.5081 -32.5081 1.9149 1.9149 1.9464 1.9464 3.4018 3.4018 3.6343 3.6343 3.9732 3.9732 4.4189 4.4189 9.8892 9.8892 10.4029 10.4029 15.5780 15.5780 17.4057 17.4057 19.2424 19.2424 k = 0.3000 0.3000-0.0000 ( 2101 PWs) bands (ev): -65.8582 -65.8582 -32.7979 -32.7979 -32.5115 -32.5115 -32.5081 -32.5081 1.9140 1.9140 1.9512 1.9512 3.3676 3.3676 3.6369 3.6369 3.9659 3.9659 4.3248 4.3248 9.9871 9.9871 10.4753 10.4753 15.7922 15.7922 17.2732 17.2732 19.1952 19.1952 k = 0.2923 0.2923-0.0000 ( 2101 PWs) bands (ev): -65.8582 -65.8582 -32.7978 -32.7978 -32.5114 -32.5114 -32.5080 -32.5080 1.9130 1.9130 1.9554 1.9554 3.3270 3.3270 3.6390 3.6390 3.9601 3.9601 4.2398 4.2398 10.0867 10.0867 10.5502 10.5502 16.0025 16.0025 17.1445 17.1445 19.1565 19.1565 k = 0.2846 0.2846-0.0000 ( 2101 PWs) bands (ev): -65.8582 -65.8582 -32.7977 -32.7977 -32.5112 -32.5112 -32.5080 -32.5080 1.9118 1.9118 1.9591 1.9591 3.2796 3.2796 3.6409 3.6409 3.9554 3.9554 4.1647 4.1647 10.1876 10.1876 10.6278 10.6278 16.2055 16.2055 17.0213 17.0213 19.1278 19.1278 k = 0.2769 0.2769-0.0000 ( 2101 PWs) bands (ev): -65.8582 -65.8582 -32.7976 -32.7976 -32.5111 -32.5111 -32.5080 -32.5080 1.9105 1.9105 1.9623 1.9623 3.2251 3.2251 3.6425 3.6425 3.9511 3.9511 4.1003 4.1003 10.2898 10.2898 10.7084 10.7084 16.3934 16.3934 16.9092 16.9092 19.1110 19.1110 k = 0.2692 0.2692-0.0000 ( 2097 PWs) bands (ev): -65.8582 -65.8582 -32.7975 -32.7975 -32.5109 -32.5109 -32.5079 -32.5079 1.9090 1.9090 1.9648 1.9648 3.1641 3.1641 3.6438 3.6438 3.9454 3.9454 4.0483 4.0483 10.3930 10.3930 10.7923 10.7923 16.5370 16.5370 16.8351 16.8351 19.1085 19.1085 k = 0.2615 0.2615-0.0000 ( 2097 PWs) bands (ev): -65.8582 -65.8582 -32.7974 -32.7974 -32.5108 -32.5108 -32.5079 -32.5079 1.9075 1.9075 1.9666 1.9666 3.0971 3.0971 3.6450 3.6450 3.9340 3.9340 4.0121 4.0121 10.4969 10.4969 10.8798 10.8798 16.5502 16.5502 16.8819 16.8819 19.1233 19.1233 k = 0.2538 0.2538-0.0000 ( 2097 PWs) bands (ev): -65.8583 -65.8583 -32.7973 -32.7973 -32.5106 -32.5106 -32.5079 -32.5079 1.9057 1.9057 1.9679 1.9679 3.0252 3.0252 3.6460 3.6460 3.9132 3.9132 3.9944 3.9944 10.6015 10.6015 10.9710 10.9710 16.4663 16.4663 17.0128 17.0128 19.1585 19.1585 k = 0.2462 0.2462-0.0000 ( 2097 PWs) bands (ev): -65.8583 -65.8583 -32.7972 -32.7972 -32.5104 -32.5104 -32.5078 -32.5078 1.9039 1.9039 1.9685 1.9685 2.9497 2.9497 3.6470 3.6470 3.8873 3.8873 3.9898 3.9898 10.7065 10.7065 11.0661 11.0661 16.3619 16.3619 17.1477 17.1477 19.2173 19.2173 k = 0.2385 0.2385-0.0000 ( 2089 PWs) bands (ev): -65.8583 -65.8583 -32.7971 -32.7971 -32.5103 -32.5103 -32.5078 -32.5078 1.9018 1.9018 1.9685 1.9685 2.8717 2.8717 3.6480 3.6480 3.8619 3.8619 3.9912 3.9912 10.8119 10.8119 11.1652 11.1652 16.2542 16.2542 17.2671 17.2671 19.3019 19.3019 k = 0.2308 0.2308-0.0000 ( 2089 PWs) bands (ev): -65.8583 -65.8583 -32.7970 -32.7970 -32.5101 -32.5101 -32.5077 -32.5077 1.8995 1.8995 1.9679 1.9679 2.7923 2.7923 3.6489 3.6489 3.8391 3.8391 3.9956 3.9956 10.9177 10.9177 11.2684 11.2684 16.1470 16.1470 17.3657 17.3657 19.4132 19.4132 k = 0.2231 0.2231-0.0000 ( 2089 PWs) bands (ev): -65.8583 -65.8583 -32.7969 -32.7969 -32.5099 -32.5099 -32.5077 -32.5077 1.8970 1.8970 1.9667 1.9667 2.7125 2.7125 3.6499 3.6499 3.8192 3.8192 4.0017 4.0017 11.0238 11.0238 11.3756 11.3756 16.0417 16.0417 17.4426 17.4426 19.5498 19.5498 k = 0.2154 0.2154-0.0000 ( 2089 PWs) bands (ev): -65.8583 -65.8583 -32.7968 -32.7968 -32.5098 -32.5098 -32.5077 -32.5077 1.8942 1.8942 1.9649 1.9649 2.6330 2.6330 3.6510 3.6510 3.8020 3.8020 4.0089 4.0089 11.1303 11.1303 11.4866 11.4866 15.9390 15.9390 17.4996 17.4996 19.7083 19.7083 k = 0.2077 0.2077-0.0000 ( 2085 PWs) bands (ev): -65.8583 -65.8583 -32.7967 -32.7967 -32.5096 -32.5096 -32.5076 -32.5076 1.8910 1.8910 1.9626 1.9626 2.5545 2.5545 3.6522 3.6522 3.7871 3.7871 4.0170 4.0170 11.2375 11.2375 11.6012 11.6012 15.8392 15.8392 17.5395 17.5395 19.8838 19.8838 k = 0.2000 0.2000-0.0000 ( 2095 PWs) bands (ev): -65.8584 -65.8584 -32.7967 -32.7967 -32.5095 -32.5095 -32.5076 -32.5076 1.8874 1.8874 1.9598 1.9598 2.4776 2.4776 3.6534 3.6534 3.7742 3.7742 4.0256 4.0256 11.3455 11.3455 11.7192 11.7192 15.7426 15.7426 17.5655 17.5655 20.0694 20.0694 k = 0.1923 0.1923-0.0000 ( 2091 PWs) bands (ev): -65.8584 -65.8584 -32.7966 -32.7966 -32.5093 -32.5093 -32.5076 -32.5076 1.8831 1.8831 1.9566 1.9566 2.4030 2.4030 3.6548 3.6548 3.7630 3.7630 4.0347 4.0347 11.4544 11.4544 11.8404 11.8404 15.6492 15.6492 17.5809 17.5809 20.2549 20.2549 k = 0.1846 0.1846-0.0000 ( 2091 PWs) bands (ev): -65.8584 -65.8584 -32.7965 -32.7965 -32.5092 -32.5092 -32.5076 -32.5076 1.8780 1.8780 1.9529 1.9529 2.3310 2.3310 3.6563 3.6563 3.7533 3.7533 4.0441 4.0441 11.5644 11.5644 11.9644 11.9644 15.5594 15.5594 17.5882 17.5882 20.4215 20.4215 k = 0.1769 0.1769-0.0000 ( 2087 PWs) bands (ev): -65.8584 -65.8584 -32.7964 -32.7964 -32.5090 -32.5090 -32.5075 -32.5075 1.8718 1.8718 1.9488 1.9488 2.2624 2.2624 3.6578 3.6578 3.7448 3.7448 4.0536 4.0536 11.6755 11.6755 12.0910 12.0910 15.4731 15.4731 17.5896 17.5896 20.5259 20.5259 k = 0.1692 0.1692-0.0000 ( 2091 PWs) bands (ev): -65.8584 -65.8584 -32.7963 -32.7963 -32.5089 -32.5089 -32.5075 -32.5075 1.8638 1.8638 1.9444 1.9444 2.1979 2.1979 3.6595 3.6595 3.7374 3.7374 4.0632 4.0632 11.7878 11.7878 12.2199 12.2199 15.3905 15.3905 17.5865 17.5865 20.4966 20.4966 k = 0.1615 0.1615-0.0000 ( 2091 PWs) bands (ev): -65.8584 -65.8584 -32.7962 -32.7962 -32.5088 -32.5088 -32.5075 -32.5075 1.8532 1.8532 1.9397 1.9397 2.1386 2.1386 3.6613 3.6613 3.7310 3.7310 4.0728 4.0728 11.9013 11.9013 12.3510 12.3510 15.3118 15.3118 17.5804 17.5804 20.3555 20.3555 k = 0.1538 0.1538-0.0000 ( 2083 PWs) bands (ev): -65.8584 -65.8584 -32.7961 -32.7961 -32.5086 -32.5086 -32.5074 -32.5074 1.8387 1.8387 1.9348 1.9348 2.0857 2.0857 3.6632 3.6632 3.7253 3.7253 4.0824 4.0824 12.0159 12.0159 12.4840 12.4840 15.2371 15.2371 17.5721 17.5721 20.1782 20.1782 k = 0.1462 0.1462-0.0000 ( 2087 PWs) bands (ev): -65.8584 -65.8584 -32.7961 -32.7961 -32.5085 -32.5085 -32.5074 -32.5074 1.8189 1.8189 1.9298 1.9298 2.0410 2.0410 3.6651 3.6651 3.7204 3.7204 4.0918 4.0918 12.1314 12.1314 12.6187 12.6187 15.1664 15.1664 17.5623 17.5623 19.9913 19.9913 k = 0.1385 0.1385-0.0000 ( 2093 PWs) bands (ev): -65.8585 -65.8585 -32.7960 -32.7960 -32.5084 -32.5084 -32.5074 -32.5074 1.7926 1.7926 1.9248 1.9248 2.0056 2.0056 3.6671 3.6671 3.7162 3.7162 4.1010 4.1010 12.2475 12.2475 12.7549 12.7549 15.1001 15.1001 17.5517 17.5517 19.8022 19.8022 k = 0.1308 0.1308-0.0000 ( 2079 PWs) bands (ev): -65.8585 -65.8585 -32.7959 -32.7959 -32.5082 -32.5082 -32.5073 -32.5073 1.7599 1.7599 1.9200 1.9200 1.9793 1.9793 3.6691 3.6691 3.7125 3.7125 4.1099 4.1099 12.3642 12.3642 12.8924 12.8924 15.0384 15.0384 17.5405 17.5405 19.6137 19.6137 k = 0.1231 0.1231-0.0000 ( 2079 PWs) bands (ev): -65.8585 -65.8585 -32.7958 -32.7958 -32.5081 -32.5081 -32.5073 -32.5073 1.7228 1.7228 1.9155 1.9155 1.9603 1.9603 3.6711 3.6711 3.7092 3.7092 4.1186 4.1186 12.4808 12.4808 13.0309 13.0309 14.9813 14.9813 17.5292 17.5292 19.4269 19.4269 k = 0.1154 0.1154-0.0000 ( 2075 PWs) bands (ev): -65.8585 -65.8585 -32.7958 -32.7958 -32.5079 -32.5079 -32.5073 -32.5073 1.6833 1.6833 1.9113 1.9113 1.9464 1.9464 3.6732 3.6732 3.7064 3.7064 4.1269 4.1269 12.5969 12.5969 13.1703 13.1703 14.9291 14.9291 17.5179 17.5179 19.2428 19.2428 k = 0.1077 0.1077-0.0000 ( 2087 PWs) bands (ev): -65.8585 -65.8585 -32.7957 -32.7957 -32.5079 -32.5079 -32.5073 -32.5073 1.6433 1.6433 1.9075 1.9075 1.9359 1.9359 3.6752 3.6752 3.7040 3.7040 4.1349 4.1349 12.7119 12.7119 13.3100 13.3100 14.8820 14.8820 17.5067 17.5067 19.0620 19.0620 k = 0.1000 0.1000-0.0000 ( 2089 PWs) bands (ev): -65.8585 -65.8585 -32.7957 -32.7957 -32.5078 -32.5078 -32.5073 -32.5073 1.6041 1.6041 1.9042 1.9042 1.9274 1.9274 3.6772 3.6772 3.7019 3.7019 4.1424 4.1424 12.8250 12.8250 13.4500 13.4500 14.8405 14.8405 17.4959 17.4959 18.8851 18.8851 k = 0.0923 0.0923-0.0000 ( 2095 PWs) bands (ev): -65.8585 -65.8585 -32.7956 -32.7956 -32.5077 -32.5077 -32.5073 -32.5073 1.5666 1.5666 1.9012 1.9012 1.9205 1.9205 3.6791 3.6791 3.7000 3.7000 4.1495 4.1495 12.9353 12.9353 13.5897 13.5897 14.8049 14.8049 17.4854 17.4854 18.7128 18.7128 k = 0.0846 0.0846-0.0000 ( 2095 PWs) bands (ev): -65.8585 -65.8585 -32.7956 -32.7956 -32.5076 -32.5076 -32.5072 -32.5072 1.5313 1.5313 1.8986 1.8986 1.9145 1.9145 3.6809 3.6809 3.6985 3.6985 4.1561 4.1561 13.0419 13.0419 13.7286 13.7286 14.7755 14.7755 17.4753 17.4753 18.5456 18.5456 k = 0.0769 0.0769-0.0000 ( 2093 PWs) bands (ev): -65.8585 -65.8585 -32.7955 -32.7955 -32.5075 -32.5075 -32.5072 -32.5072 1.4984 1.4984 1.8963 1.8963 1.9093 1.9093 3.6827 3.6827 3.6971 3.6971 4.1622 4.1622 13.1434 13.1434 13.8660 13.8660 14.7527 14.7527 17.4655 17.4655 18.3841 18.3841 k = 0.0692 0.0692-0.0000 ( 2093 PWs) bands (ev): -65.8585 -65.8585 -32.7955 -32.7955 -32.5074 -32.5074 -32.5072 -32.5072 1.4683 1.4683 1.8943 1.8943 1.9048 1.9048 3.6843 3.6843 3.6960 3.6960 4.1678 4.1678 13.2386 13.2386 14.0011 14.0011 14.7367 14.7367 17.4558 17.4558 18.2291 18.2291 k = 0.0615 0.0615-0.0000 ( 2097 PWs) bands (ev): -65.8586 -65.8586 -32.7955 -32.7955 -32.5074 -32.5074 -32.5072 -32.5072 1.4411 1.4411 1.8925 1.8925 1.9008 1.9008 3.6858 3.6858 3.6950 3.6950 4.1728 4.1728 13.3262 13.3262 14.1327 14.1327 14.7278 14.7278 17.4460 17.4460 18.0811 18.0811 k = 0.0538 0.0538-0.0000 ( 2101 PWs) bands (ev): -65.8586 -65.8586 -32.7954 -32.7954 -32.5073 -32.5073 -32.5072 -32.5072 1.4170 1.4170 1.8910 1.8910 1.8973 1.8973 3.6872 3.6872 3.6942 3.6942 4.1773 4.1773 13.4048 13.4048 14.2594 14.2594 14.7256 14.7256 17.4353 17.4353 17.9409 17.9409 k = 0.0462 0.0462-0.0000 ( 2103 PWs) bands (ev): -65.8586 -65.8586 -32.7954 -32.7954 -32.5073 -32.5073 -32.5072 -32.5072 1.3959 1.3959 1.8897 1.8897 1.8943 1.8943 3.6884 3.6884 3.6936 3.6936 4.1813 4.1813 13.4733 13.4733 14.3794 14.3794 14.7298 14.7298 17.4225 17.4225 17.8104 17.8104 k = 0.0385 0.0385-0.0000 ( 2103 PWs) bands (ev): -65.8586 -65.8586 -32.7954 -32.7954 -32.5072 -32.5072 -32.5072 -32.5072 1.3780 1.3780 1.8886 1.8886 1.8918 1.8918 3.6894 3.6894 3.6930 3.6930 4.1846 4.1846 13.5311 13.5311 14.4902 14.4902 14.7390 14.7390 17.4049 17.4049 17.6942 17.6942 k = 0.0308 0.0308-0.0000 ( 2103 PWs) bands (ev): -65.8586 -65.8586 -32.7954 -32.7954 -32.5072 -32.5072 -32.5071 -32.5071 1.3633 1.3633 1.8877 1.8877 1.8898 1.8898 3.6903 3.6903 3.6926 3.6926 4.1873 4.1873 13.5778 13.5778 14.5888 14.5888 14.7515 14.7515 17.3775 17.3775 17.6015 17.6015 k = 0.0231 0.0231-0.0000 ( 2103 PWs) bands (ev): -65.8586 -65.8586 -32.7953 -32.7953 -32.5072 -32.5072 -32.5071 -32.5071 1.3518 1.3518 1.8870 1.8870 1.8882 1.8882 3.6910 3.6910 3.6923 3.6923 4.1895 4.1895 13.6134 13.6134 14.6717 14.6717 14.7650 14.7650 17.3368 17.3368 17.5410 17.5410 k = 0.0154 0.0154-0.0000 ( 2103 PWs) bands (ev): -65.8586 -65.8586 -32.7953 -32.7953 -32.5071 -32.5071 -32.5071 -32.5071 1.3436 1.3436 1.8865 1.8865 1.8870 1.8870 3.6915 3.6915 3.6921 3.6921 4.1910 4.1910 13.6384 13.6384 14.7349 14.7349 14.7770 14.7770 17.2913 17.2913 17.5094 17.5094 k = 0.0077 0.0077-0.0000 ( 2103 PWs) bands (ev): -65.8586 -65.8586 -32.7953 -32.7953 -32.5071 -32.5071 -32.5071 -32.5071 1.3386 1.3386 1.8862 1.8862 1.8863 1.8863 3.6918 3.6918 3.6919 3.6919 4.1920 4.1920 13.6531 13.6531 14.7746 14.7746 14.7853 14.7853 17.2571 17.2571 17.4952 17.4952 k = 0.0000 0.0000 0.0000 ( 2103 PWs) bands (ev): -65.8586 -65.8586 -32.7953 -32.7953 -32.5071 -32.5071 -32.5071 -32.5071 1.3370 1.3370 1.8861 1.8861 1.8861 1.8861 3.6919 3.6919 3.6919 3.6919 4.1923 4.1923 13.6580 13.6580 14.7882 14.7882 14.7882 14.7882 17.2447 17.2447 17.4912 17.4912 k = 0.0000 0.0000 0.0000 ( 2103 PWs) bands (ev): -65.8586 -65.8586 -32.7953 -32.7953 -32.5071 -32.5071 -32.5071 -32.5071 1.3370 1.3370 1.8861 1.8861 1.8861 1.8861 3.6919 3.6919 3.6919 3.6919 4.1923 4.1923 13.6580 13.6580 14.7882 14.7882 14.7882 14.7882 17.2447 17.2447 17.4912 17.4912 k = 0.0063 0.0062 0.0062 ( 2103 PWs) bands (ev): -65.8586 -65.8586 -32.7953 -32.7953 -32.5071 -32.5071 -32.5071 -32.5071 1.3386 1.3386 1.8862 1.8862 1.8863 1.8863 3.6918 3.6918 3.6919 3.6919 4.1920 4.1920 13.6532 13.6532 14.7786 14.7786 14.7814 14.7814 17.2572 17.2572 17.4989 17.4993 k = 0.0125 0.0125 0.0125 ( 2103 PWs) bands (ev): -65.8586 -65.8586 -32.7953 -32.7953 -32.5071 -32.5071 -32.5071 -32.5071 1.3435 1.3435 1.8866 1.8866 1.8869 1.8869 3.6914 3.6914 3.6921 3.6921 4.1910 4.1910 13.6389 13.6389 14.7505 14.7505 14.7610 14.7610 17.2941 17.2941 17.5199 17.5199 k = 0.0187 0.0187 0.0187 ( 2103 PWs) bands (ev): -65.8586 -65.8586 -32.7953 -32.7953 -32.5072 -32.5072 -32.5072 -32.5072 1.3516 1.3516 1.8872 1.8872 1.8879 1.8879 3.6909 3.6909 3.6924 3.6924 4.1895 4.1895 13.6155 13.6155 14.7054 14.7054 14.7280 14.7280 17.3534 17.3534 17.5557 17.5557 k = 0.0250 0.0250 0.0250 ( 2103 PWs) bands (ev): -65.8586 -65.8586 -32.7953 -32.7953 -32.5072 -32.5072 -32.5072 -32.5072 1.3630 1.3630 1.8881 1.8881 1.8892 1.8892 3.6902 3.6902 3.6927 3.6927 4.1874 4.1874 13.5835 13.5835 14.6457 14.6457 14.6834 14.6834 17.4319 17.4319 17.6062 17.6062 k = 0.0312 0.0312 0.0312 ( 2103 PWs) bands (ev): -65.8586 -65.8586 -32.7954 -32.7954 -32.5072 -32.5072 -32.5072 -32.5072 1.3776 1.3776 1.8893 1.8893 1.8910 1.8910 3.6892 3.6892 3.6932 3.6932 4.1846 4.1846 13.5436 13.5436 14.5741 14.5741 14.6287 14.6287 17.5252 17.5252 17.6723 17.6723 k = 0.0375 0.0375 0.0375 ( 2103 PWs) bands (ev): -65.8586 -65.8586 -32.7954 -32.7954 -32.5072 -32.5072 -32.5072 -32.5072 1.3955 1.3955 1.8906 1.8906 1.8931 1.8931 3.6881 3.6881 3.6938 3.6938 4.1813 4.1813 13.4965 13.4965 14.4929 14.4929 14.5652 14.5652 17.6274 17.6274 17.7566 17.7566 k = 0.0437 0.0437 0.0437 ( 2103 PWs) bands (ev): -65.8586 -65.8586 -32.7954 -32.7954 -32.5073 -32.5073 -32.5072 -32.5072 1.4165 1.4165 1.8922 1.8922 1.8957 1.8957 3.6868 3.6868 3.6946 3.6946 4.1774 4.1774 13.4432 13.4432 14.4045 14.4045 14.4944 14.4944 17.7319 17.7319 17.8625 17.8625 k = 0.0500 0.0500 0.0500 ( 2091 PWs) bands (ev): -65.8585 -65.8585 -32.7954 -32.7954 -32.5073 -32.5073 -32.5073 -32.5073 1.4407 1.4407 1.8940 1.8940 1.8986 1.8986 3.6854 3.6854 3.6954 3.6954 4.1728 4.1728 13.3845 13.3845 14.3108 14.3108 14.4178 14.4178 17.8358 17.8358 17.9679 17.9679 k = 0.0563 0.0562 0.0562 ( 2094 PWs) bands (ev): -65.8585 -65.8585 -32.7955 -32.7955 -32.5073 -32.5073 -32.5073 -32.5073 1.4679 1.4679 1.8961 1.8961 1.9020 1.9020 3.6838 3.6838 3.6964 3.6964 4.1677 4.1677 13.3212 13.3212 14.2134 14.2134 14.3363 14.3363 17.9408 17.9408 18.0771 18.0771 k = 0.0625 0.0625 0.0625 ( 2088 PWs) bands (ev): -65.8585 -65.8585 -32.7955 -32.7955 -32.5074 -32.5074 -32.5073 -32.5073 1.4983 1.4983 1.8983 1.8983 1.9058 1.9058 3.6821 3.6821 3.6975 3.6975 4.1620 4.1620 13.2541 13.2541 14.1135 14.1135 14.2512 14.2512 18.0492 18.0492 18.1930 18.1930 k = 0.0688 0.0688 0.0687 ( 2088 PWs) bands (ev): -65.8585 -65.8585 -32.7956 -32.7956 -32.5074 -32.5074 -32.5074 -32.5074 1.5316 1.5316 1.9007 1.9007 1.9101 1.9101 3.6804 3.6804 3.6988 3.6988 4.1557 4.1557 13.1841 13.1841 14.0122 14.0122 14.1632 14.1632 18.1618 18.1618 18.3146 18.3146 k = 0.0750 0.0750 0.0750 ( 2088 PWs) bands (ev): -65.8585 -65.8585 -32.7956 -32.7956 -32.5075 -32.5075 -32.5074 -32.5074 1.5678 1.5678 1.9033 1.9033 1.9150 1.9150 3.6786 3.6786 3.7002 3.7002 4.1488 4.1488 13.1117 13.1117 13.9103 13.9103 14.0733 14.0733 18.2788 18.2788 18.4409 18.4409 k = 0.0813 0.0812 0.0812 ( 2088 PWs) bands (ev): -65.8585 -65.8585 -32.7957 -32.7957 -32.5075 -32.5075 -32.5075 -32.5075 1.6067 1.6067 1.9061 1.9061 1.9205 1.9205 3.6767 3.6767 3.7017 3.7017 4.1414 4.1414 13.0377 13.0377 13.8083 13.8083 13.9820 13.9820 18.3997 18.3997 18.5712 18.5712 k = 0.0875 0.0875 0.0875 ( 2088 PWs) bands (ev): -65.8585 -65.8585 -32.7957 -32.7957 -32.5076 -32.5076 -32.5076 -32.5076 1.6481 1.6481 1.9090 1.9090 1.9270 1.9270 3.6749 3.6749 3.7035 3.7035 4.1335 4.1335 12.9625 12.9625 13.7070 13.7070 13.8898 13.8898 18.5239 18.5239 18.7044 18.7044 k = 0.0938 0.0937 0.0937 ( 2088 PWs) bands (ev): -65.8585 -65.8585 -32.7958 -32.7958 -32.5077 -32.5077 -32.5076 -32.5076 1.6915 1.6915 1.9120 1.9120 1.9347 1.9347 3.6732 3.6732 3.7054 3.7054 4.1250 4.1250 12.8867 12.8867 13.6066 13.6066 13.7973 13.7973 18.6506 18.6506 18.8400 18.8400 k = 0.1000 0.1000 0.1000 ( 2076 PWs) bands (ev): -65.8585 -65.8585 -32.7958 -32.7958 -32.5077 -32.5077 -32.5077 -32.5077 1.7361 1.7361 1.9151 1.9151 1.9443 1.9443 3.6716 3.6716 3.7074 3.7074 4.1160 4.1160 12.8108 12.8108 13.5075 13.5075 13.7050 13.7050 18.7790 18.7790 18.9771 18.9771 k = 0.1062 0.1062 0.1062 ( 2091 PWs) bands (ev): -65.8585 -65.8585 -32.7959 -32.7959 -32.5078 -32.5078 -32.5078 -32.5078 1.7805 1.7805 1.9184 1.9184 1.9573 1.9573 3.6701 3.6701 3.7097 3.7097 4.1066 4.1066 12.7349 12.7349 13.4099 13.4099 13.6129 13.6129 18.9079 18.9079 19.1147 19.1147 k = 0.1125 0.1125 0.1125 ( 2091 PWs) bands (ev): -65.8585 -65.8585 -32.7960 -32.7960 -32.5079 -32.5079 -32.5079 -32.5079 1.8222 1.8222 1.9217 1.9217 1.9762 1.9762 3.6689 3.6689 3.7122 3.7122 4.0967 4.0967 12.6597 12.6597 13.3141 13.3141 13.5216 13.5216 19.0361 19.0361 19.2520 19.2520 k = 0.1187 0.1187 0.1187 ( 2091 PWs) bands (ev): -65.8584 -65.8584 -32.7961 -32.7961 -32.5080 -32.5080 -32.5079 -32.5079 1.8574 1.8574 1.9250 1.9250 2.0046 2.0046 3.6678 3.6678 3.7149 3.7149 4.0864 4.0864 12.5853 12.5853 13.2203 13.2203 13.4312 13.4312 19.1622 19.1622 19.3876 19.3876 k = 0.1250 0.1250 0.1250 ( 2097 PWs) bands (ev): -65.8584 -65.8584 -32.7962 -32.7962 -32.5081 -32.5081 -32.5080 -32.5080 1.8835 1.8835 1.9284 1.9284 2.0449 2.0449 3.6672 3.6672 3.7178 3.7178 4.0758 4.0758 12.5120 12.5120 13.1286 13.1286 13.3420 13.3420 19.2840 19.2840 19.5199 19.5199 k = 0.1313 0.1313 0.1312 ( 2097 PWs) bands (ev): -65.8584 -65.8584 -32.7963 -32.7963 -32.5082 -32.5082 -32.5081 -32.5081 1.9015 1.9015 1.9318 1.9318 2.0961 2.0961 3.6668 3.6668 3.7209 3.7209 4.0649 4.0649 12.4399 12.4399 13.0392 13.0392 13.2541 13.2541 19.3991 19.3991 19.6471 19.6471 k = 0.1375 0.1375 0.1375 ( 2103 PWs) bands (ev): -65.8584 -65.8584 -32.7964 -32.7964 -32.5083 -32.5083 -32.5082 -32.5082 1.9142 1.9142 1.9352 1.9352 2.1553 2.1553 3.6669 3.6669 3.7243 3.7243 4.0537 4.0537 12.3693 12.3693 12.9521 12.9521 13.1677 13.1677 19.5044 19.5044 19.7666 19.7666 k = 0.1437 0.1437 0.1437 ( 2103 PWs) bands (ev): -65.8584 -65.8584 -32.7965 -32.7965 -32.5084 -32.5084 -32.5083 -32.5083 1.9237 1.9237 1.9385 1.9385 2.2202 2.2202 3.6675 3.6675 3.7280 3.7280 4.0424 4.0424 12.3003 12.3003 12.8676 12.8676 13.0830 13.0830 19.5959 19.5959 19.8751 19.8751 k = 0.1500 0.1500 0.1500 ( 2106 PWs) bands (ev): -65.8584 -65.8584 -32.7966 -32.7966 -32.5085 -32.5085 -32.5084 -32.5084 1.9313 1.9313 1.9417 1.9417 2.2894 2.2894 3.6686 3.6686 3.7320 3.7320 4.0311 4.0311 12.2330 12.2330 12.7856 12.7856 13.0000 13.0000 19.6687 19.6687 19.9684 19.9684 k = 0.1562 0.1562 0.1562 ( 2109 PWs) bands (ev): -65.8584 -65.8584 -32.7967 -32.7967 -32.5086 -32.5086 -32.5085 -32.5085 1.9377 1.9377 1.9449 1.9449 2.3621 2.3621 3.6704 3.6704 3.7362 3.7362 4.0199 4.0199 12.1675 12.1675 12.7062 12.7062 12.9190 12.9190 19.7177 19.7177 20.0414 20.0414 k = 0.1625 0.1625 0.1625 ( 2106 PWs) bands (ev): -65.8584 -65.8584 -32.7967 -32.7967 -32.5087 -32.5087 -32.5086 -32.5086 1.9432 1.9432 1.9480 1.9480 2.4376 2.4376 3.6727 3.6727 3.7408 3.7408 4.0090 4.0090 12.1039 12.1039 12.6296 12.6296 12.8399 12.8399 19.7379 19.7379 20.0889 20.0889 k = 0.1688 0.1687 0.1687 ( 2106 PWs) bands (ev): -65.8583 -65.8583 -32.7968 -32.7968 -32.5088 -32.5088 -32.5087 -32.5087 1.9480 1.9480 1.9509 1.9509 2.5156 2.5156 3.6756 3.6756 3.7457 3.7457 3.9988 3.9988 12.0421 12.0421 12.5557 12.5557 12.7629 12.7629 19.7262 19.7262 20.1060 20.1060 k = 0.1750 0.1750 0.1750 ( 2106 PWs) bands (ev): -65.8583 -65.8583 -32.7969 -32.7969 -32.5089 -32.5089 -32.5088 -32.5088 1.9522 1.9522 1.9537 1.9537 2.5956 2.5956 3.6792 3.6792 3.7509 3.7509 3.9895 3.9895 11.9824 11.9824 12.4847 12.4847 12.6881 12.6881 19.6822 19.6822 20.0902 20.0902 k = 0.1812 0.1812 0.1812 ( 2109 PWs) bands (ev): -65.8583 -65.8583 -32.7971 -32.7971 -32.5090 -32.5090 -32.5089 -32.5089 1.9559 1.9559 1.9563 1.9563 2.6772 2.6772 3.6833 3.6833 3.7564 3.7564 3.9817 3.9817 11.9245 11.9245 12.4167 12.4167 12.6155 12.6155 19.6085 19.6085 20.0422 20.0422 k = 0.1875 0.1875 0.1875 ( 2109 PWs) bands (ev): -65.8583 -65.8583 -32.7972 -32.7972 -32.5091 -32.5091 -32.5090 -32.5090 1.9587 1.9587 1.9591 1.9591 2.7598 2.7598 3.6877 3.6877 3.7624 3.7624 3.9761 3.9761 11.8686 11.8686 12.3516 12.3516 12.5451 12.5451 19.5096 19.5096 19.9652 19.9652 k = 0.1938 0.1937 0.1937 ( 2109 PWs) bands (ev): -65.8583 -65.8583 -32.7973 -32.7973 -32.5092 -32.5092 -32.5091 -32.5091 1.9608 1.9608 1.9618 1.9618 2.8429 2.8429 3.6921 3.6921 3.7686 3.7686 3.9735 3.9735 11.8146 11.8146 12.2895 12.2895 12.4772 12.4772 19.3906 19.3906 19.8643 19.8643 k = 0.2000 0.2000 0.2000 ( 2109 PWs) bands (ev): -65.8583 -65.8583 -32.7974 -32.7974 -32.5093 -32.5093 -32.5093 -32.5093 1.9627 1.9627 1.9641 1.9641 2.9256 2.9256 3.6961 3.6961 3.7753 3.7753 3.9752 3.9752 11.7625 11.7625 12.2305 12.2305 12.4116 12.4116 19.2564 19.2564 19.7448 19.7448 k = 0.2062 0.2062 0.2062 ( 2103 PWs) bands (ev): -65.8582 -65.8582 -32.7975 -32.7975 -32.5094 -32.5094 -32.5093 -32.5093 1.9644 1.9644 1.9659 1.9659 3.0070 3.0070 3.6991 3.6991 3.7824 3.7824 3.9828 3.9828 11.7122 11.7122 12.1747 12.1747 12.3484 12.3484 19.1109 19.1109 19.6113 19.6113 k = 0.2125 0.2125 0.2125 ( 2103 PWs) bands (ev): -65.8582 -65.8582 -32.7976 -32.7976 -32.5095 -32.5095 -32.5095 -32.5095 1.9658 1.9658 1.9672 1.9672 3.0860 3.0860 3.7005 3.7005 3.7898 3.7898 3.9981 3.9981 11.6636 11.6636 12.1220 12.1220 12.2878 12.2878 18.9573 18.9573 19.4676 19.4676 k = 0.2188 0.2187 0.2187 ( 2103 PWs) bands (ev): -65.8582 -65.8582 -32.7977 -32.7977 -32.5097 -32.5097 -32.5096 -32.5096 1.9669 1.9669 1.9681 1.9681 3.1612 3.1612 3.6997 3.6997 3.7977 3.7977 4.0227 4.0227 11.6169 11.6169 12.0725 12.0725 12.2296 12.2296 18.7980 18.7980 19.3165 19.3165 k = 0.2250 0.2250 0.2250 ( 2097 PWs) bands (ev): -65.8582 -65.8582 -32.7978 -32.7978 -32.5098 -32.5098 -32.5097 -32.5097 1.9676 1.9676 1.9685 1.9685 3.2314 3.2314 3.6967 3.6967 3.8059 3.8059 4.0584 4.0584 11.5718 11.5718 12.0263 12.0263 12.1739 12.1739 18.6347 18.6347 19.1604 19.1604 k = 0.2313 0.2312 0.2312 ( 2100 PWs) bands (ev): -65.8582 -65.8582 -32.7979 -32.7979 -32.5099 -32.5099 -32.5098 -32.5098 1.9681 1.9681 1.9684 1.9684 3.2953 3.2953 3.6917 3.6917 3.8146 3.8146 4.1061 4.1061 11.5283 11.5283 11.9833 11.9833 12.1208 12.1208 18.4687 18.4687 19.0008 19.0008 k = 0.2375 0.2375 0.2375 ( 2100 PWs) bands (ev): -65.8581 -65.8581 -32.7980 -32.7980 -32.5100 -32.5100 -32.5099 -32.5099 1.9680 1.9680 1.9682 1.9682 3.3518 3.3518 3.6851 3.6851 3.8237 3.8237 4.1663 4.1663 11.4863 11.4863 11.9436 11.9436 12.0703 12.0703 18.3010 18.3010 18.8389 18.8389 k = 0.2437 0.2437 0.2437 ( 2100 PWs) bands (ev): -65.8581 -65.8581 -32.7981 -32.7981 -32.5101 -32.5101 -32.5100 -32.5100 1.9670 1.9670 1.9680 1.9680 3.4005 3.4005 3.6777 3.6777 3.8331 3.8331 4.2388 4.2388 11.4460 11.4460 11.9071 11.9071 12.0224 12.0224 18.1324 18.1324 18.6758 18.6758 k = 0.2500 0.2500 0.2500 ( 2082 PWs) bands (ev): -65.8581 -65.8581 -32.7982 -32.7982 -32.5102 -32.5102 -32.5101 -32.5101 1.9657 1.9657 1.9674 1.9674 3.4411 3.4411 3.6705 3.6705 3.8430 3.8430 4.3228 4.3228 11.4071 11.4071 11.8739 11.8739 11.9771 11.9771 17.9634 17.9634 18.5122 18.5122 k = 0.2562 0.2562 0.2562 ( 2100 PWs) bands (ev): -65.8581 -65.8581 -32.7983 -32.7983 -32.5104 -32.5104 -32.5103 -32.5103 1.9639 1.9639 1.9665 1.9665 3.4735 3.4735 3.6648 3.6648 3.8532 3.8532 4.4171 4.4171 11.3696 11.3696 11.8439 11.8439 11.9344 11.9344 17.7944 17.7944 18.3485 18.3485 k = 0.2625 0.2625 0.2625 ( 2100 PWs) bands (ev): -65.8581 -65.8581 -32.7984 -32.7984 -32.5105 -32.5105 -32.5104 -32.5104 1.9618 1.9618 1.9653 1.9653 3.4970 3.4970 3.6624 3.6624 3.8639 3.8639 4.5206 4.5206 11.3336 11.3336 11.8171 11.8171 11.8943 11.8943 17.6257 17.6257 18.1853 18.1853 k = 0.2687 0.2687 0.2687 ( 2100 PWs) bands (ev): -65.8581 -65.8581 -32.7986 -32.7986 -32.5106 -32.5106 -32.5105 -32.5105 1.9592 1.9592 1.9637 1.9637 3.5112 3.5112 3.6652 3.6652 3.8749 3.8749 4.6320 4.6320 11.2989 11.2989 11.7934 11.7934 11.8568 11.8568 17.4576 17.4576 18.0120 18.0120 k = 0.2750 0.2750 0.2750 ( 2097 PWs) bands (ev): -65.8580 -65.8580 -32.7987 -32.7987 -32.5107 -32.5107 -32.5106 -32.5106 1.9564 1.9564 1.9618 1.9618 3.5162 3.5162 3.6738 3.6738 3.8862 3.8862 4.7501 4.7501 11.2657 11.2657 11.7728 11.7728 11.8220 11.8220 17.2903 17.2903 17.8308 17.8308 k = 0.2812 0.2812 0.2812 ( 2100 PWs) bands (ev): -65.8580 -65.8580 -32.7988 -32.7988 -32.5108 -32.5108 -32.5107 -32.5107 1.9532 1.9532 1.9596 1.9596 3.5138 3.5138 3.6874 3.6874 3.8979 3.8979 4.8742 4.8742 11.2338 11.2338 11.7552 11.7552 11.7897 11.7897 17.1239 17.1239 17.6533 17.6533 k = 0.2875 0.2875 0.2875 ( 2100 PWs) bands (ev): -65.8580 -65.8580 -32.7989 -32.7989 -32.5109 -32.5109 -32.5108 -32.5108 1.9497 1.9497 1.9570 1.9570 3.5062 3.5062 3.7045 3.7045 3.9099 3.9099 5.0035 5.0035 11.2032 11.2032 11.7405 11.7405 11.7601 11.7601 16.9585 16.9585 17.4799 17.4799 k = 0.2938 0.2937 0.2937 ( 2100 PWs) bands (ev): -65.8580 -65.8580 -32.7990 -32.7990 -32.5110 -32.5110 -32.5110 -32.5110 1.9460 1.9460 1.9541 1.9541 3.4953 3.4953 3.7236 3.7236 3.9221 3.9221 5.1375 5.1375 11.1740 11.1740 11.7288 11.7288 11.7330 11.7330 16.7944 16.7944 17.3105 17.3105 k = 0.3000 0.3000 0.3000 ( 2100 PWs) bands (ev): -65.8580 -65.8580 -32.7991 -32.7991 -32.5111 -32.5111 -32.5111 -32.5111 1.9421 1.9421 1.9510 1.9510 3.4824 3.4824 3.7439 3.7439 3.9346 3.9346 5.2756 5.2756 11.1462 11.1462 11.7085 11.7085 11.7198 11.7198 16.6316 16.6316 17.1453 17.1453 k = 0.3063 0.3062 0.3062 ( 2100 PWs) bands (ev): -65.8580 -65.8580 -32.7992 -32.7992 -32.5112 -32.5112 -32.5112 -32.5112 1.9379 1.9379 1.9476 1.9476 3.4684 3.4684 3.7648 3.7648 3.9474 3.9474 5.4174 5.4174 11.1196 11.1196 11.6866 11.6866 11.7135 11.7135 16.4702 16.4702 16.9844 16.9844 k = 0.3125 0.3125 0.3125 ( 2100 PWs) bands (ev): -65.8579 -65.8579 -32.7993 -32.7993 -32.5113 -32.5113 -32.5113 -32.5113 1.9336 1.9336 1.9439 1.9439 3.4537 3.4537 3.7861 3.7861 3.9603 3.9603 5.5628 5.5628 11.0944 11.0944 11.6673 11.6673 11.7098 11.7098 16.3103 16.3103 16.8279 16.8279 k = 0.3187 0.3187 0.3187 ( 2100 PWs) bands (ev): -65.8579 -65.8579 -32.7994 -32.7994 -32.5114 -32.5114 -32.5114 -32.5114 1.9292 1.9292 1.9400 1.9400 3.4385 3.4385 3.8076 3.8076 3.9734 3.9734 5.7114 5.7114 11.0704 11.0704 11.6504 11.6504 11.7086 11.7086 16.1522 16.1522 16.6758 16.6758 k = 0.3250 0.3250 0.3250 ( 2100 PWs) bands (ev): -65.8579 -65.8579 -32.7995 -32.7995 -32.5115 -32.5115 -32.5115 -32.5115 1.9246 1.9246 1.9359 1.9359 3.4233 3.4233 3.8293 3.8293 3.9866 3.9866 5.8630 5.8630 11.0477 11.0477 11.6360 11.6360 11.7100 11.7100 15.9959 15.9959 16.5283 16.5283 k = 0.3312 0.3312 0.3312 ( 2100 PWs) bands (ev): -65.8579 -65.8579 -32.7996 -32.7996 -32.5116 -32.5116 -32.5116 -32.5116 1.9200 1.9200 1.9316 1.9316 3.4080 3.4080 3.8511 3.8511 3.9999 3.9999 6.0173 6.0173 11.0261 11.0261 11.6240 11.6240 11.7137 11.7137 15.8417 15.8417 16.3853 16.3853 k = 0.3375 0.3375 0.3375 ( 2100 PWs) bands (ev): -65.8579 -65.8579 -32.7997 -32.7997 -32.5117 -32.5117 -32.5117 -32.5117 1.9153 1.9153 1.9271 1.9271 3.3928 3.3928 3.8728 3.8728 4.0133 4.0133 6.1743 6.1743 11.0058 11.0058 11.6145 11.6145 11.7196 11.7196 15.6896 15.6896 16.2469 16.2469 k = 0.3438 0.3437 0.3437 ( 2100 PWs) bands (ev): -65.8579 -65.8579 -32.7998 -32.7998 -32.5118 -32.5118 -32.5118 -32.5118 1.9106 1.9106 1.9225 1.9225 3.3779 3.3779 3.8945 3.8945 4.0266 4.0266 6.3336 6.3336 10.9866 10.9866 11.6072 11.6072 11.7278 11.7278 15.5400 15.5400 16.1130 16.1130 k = 0.3500 0.3500 0.3500 ( 2112 PWs) bands (ev): -65.8579 -65.8579 -32.7999 -32.7999 -32.5120 -32.5120 -32.5120 -32.5120 1.9059 1.9059 1.9178 1.9178 3.3632 3.3632 3.9161 3.9161 4.0399 4.0399 6.4953 6.4953 10.9685 10.9685 11.6023 11.6023 11.7380 11.7380 15.3930 15.3930 15.9838 15.9838 k = 0.3563 0.3562 0.3562 ( 2112 PWs) bands (ev): -65.8578 -65.8578 -32.8000 -32.8000 -32.5121 -32.5121 -32.5120 -32.5120 1.9012 1.9012 1.9130 1.9130 3.3489 3.3489 3.9375 3.9375 4.0532 4.0532 6.6590 6.6590 10.9514 10.9514 11.5996 11.5996 11.7501 11.7501 15.2488 15.2488 15.8592 15.8592 k = 0.3625 0.3625 0.3625 ( 2112 PWs) bands (ev): -65.8578 -65.8578 -32.8001 -32.8001 -32.5122 -32.5122 -32.5121 -32.5121 1.8966 1.8966 1.9082 1.9082 3.3349 3.3349 3.9587 3.9587 4.0662 4.0662 6.8246 6.8246 10.9354 10.9354 11.5990 11.5990 11.7640 11.7640 15.1078 15.1078 15.7392 15.7392 k = 0.3688 0.3687 0.3687 ( 2106 PWs) bands (ev): -65.8578 -65.8578 -32.8002 -32.8002 -32.5122 -32.5122 -32.5122 -32.5122 1.8920 1.8920 1.9033 1.9033 3.3215 3.3215 3.9797 3.9797 4.0792 4.0792 6.9919 6.9919 10.9202 10.9202 11.6005 11.6005 11.7796 11.7796 14.9701 14.9701 15.6239 15.6239 k = 0.3750 0.3750 0.3750 ( 2100 PWs) bands (ev): -65.8578 -65.8578 -32.8002 -32.8002 -32.5123 -32.5123 -32.5123 -32.5123 1.8876 1.8876 1.8984 1.8984 3.3085 3.3085 4.0002 4.0002 4.0919 4.0919 7.1608 7.1608 10.9058 10.9058 11.6040 11.6040 11.7966 11.7966 14.8361 14.8361 15.5133 15.5133 k = 0.3812 0.3812 0.3812 ( 2112 PWs) bands (ev): -65.8578 -65.8578 -32.8004 -32.8004 -32.5124 -32.5124 -32.5124 -32.5124 1.8832 1.8832 1.8936 1.8936 3.2960 3.2960 4.0203 4.0203 4.1043 4.1043 7.3310 7.3310 10.8922 10.8922 11.6094 11.6094 11.8148 11.8148 14.7061 14.7061 15.4074 15.4074 k = 0.3875 0.3875 0.3875 ( 2118 PWs) bands (ev): -65.8578 -65.8578 -32.8005 -32.8005 -32.5125 -32.5125 -32.5125 -32.5125 1.8790 1.8790 1.8888 1.8888 3.2840 3.2840 4.0400 4.0400 4.1164 4.1164 7.5023 7.5023 10.8791 10.8791 11.6165 11.6165 11.8338 11.8338 14.5806 14.5806 15.3063 15.3063 k = 0.3937 0.3937 0.3937 ( 2118 PWs) bands (ev): -65.8578 -65.8578 -32.8005 -32.8005 -32.5126 -32.5126 -32.5126 -32.5126 1.8750 1.8750 1.8841 1.8841 3.2726 3.2726 4.0591 4.0591 4.1282 4.1282 7.6745 7.6745 10.8666 10.8666 11.6253 11.6253 11.8533 11.8533 14.4600 14.4600 15.2100 15.2100 k = 0.4000 0.4000 0.4000 ( 2121 PWs) bands (ev): -65.8578 -65.8578 -32.8006 -32.8006 -32.5127 -32.5127 -32.5126 -32.5126 1.8711 1.8711 1.8795 1.8795 3.2618 3.2618 4.0775 4.0775 4.1395 4.1395 7.8472 7.8472 10.8544 10.8544 11.6355 11.6355 11.8729 11.8729 14.3450 14.3450 15.1187 15.1187 k = 0.4062 0.4062 0.4062 ( 2121 PWs) bands (ev): -65.8577 -65.8577 -32.8007 -32.8007 -32.5127 -32.5127 -32.5127 -32.5127 1.8673 1.8673 1.8751 1.8751 3.2516 3.2516 4.0952 4.0952 4.1505 4.1505 8.0202 8.0202 10.8424 10.8424 11.6471 11.6471 11.8920 11.8920 14.2362 14.2362 15.0305 15.0305 k = 0.4125 0.4125 0.4125 ( 2122 PWs) bands (ev): -65.8577 -65.8577 -32.8007 -32.8007 -32.5128 -32.5128 -32.5128 -32.5128 1.8638 1.8638 1.8708 1.8708 3.2420 3.2420 4.1122 4.1122 4.1609 4.1609 8.1931 8.1931 10.8303 10.8303 11.6599 11.6599 11.9100 11.9100 14.1347 14.1347 14.9335 14.9335 k = 0.4188 0.4187 0.4187 ( 2116 PWs) bands (ev): -65.8577 -65.8577 -32.8008 -32.8008 -32.5128 -32.5128 -32.5128 -32.5128 1.8605 1.8605 1.8667 1.8667 3.2331 3.2331 4.1284 4.1284 4.1708 4.1708 8.3655 8.3655 10.8179 10.8179 11.6735 11.6735 11.9260 11.9260 14.0413 14.0413 14.8413 14.8413 k = 0.4250 0.4250 0.4250 ( 2128 PWs) bands (ev): -65.8577 -65.8577 -32.8009 -32.8009 -32.5130 -32.5130 -32.5129 -32.5129 1.8573 1.8573 1.8628 1.8628 3.2248 3.2248 4.1436 4.1436 4.1802 4.1802 8.5369 8.5369 10.8050 10.8050 11.6879 11.6879 11.9392 11.9392 13.9574 13.9574 14.7540 14.7540 k = 0.4313 0.4312 0.4312 ( 2122 PWs) bands (ev): -65.8577 -65.8577 -32.8009 -32.8009 -32.5130 -32.5130 -32.5129 -32.5129 1.8544 1.8544 1.8592 1.8592 3.2171 3.2171 4.1579 4.1579 4.1889 4.1889 8.7068 8.7068 10.7911 10.7911 11.7028 11.7028 11.9486 11.9486 13.8842 13.8842 14.6720 14.6720 k = 0.4375 0.4375 0.4375 ( 2116 PWs) bands (ev): -65.8577 -65.8577 -32.8009 -32.8009 -32.5130 -32.5130 -32.5130 -32.5130 1.8517 1.8517 1.8558 1.8558 3.2101 3.2101 4.1712 4.1712 4.1970 4.1970 8.8747 8.8747 10.7758 10.7758 11.7178 11.7178 11.9533 11.9533 13.8234 13.8234 14.5955 14.5955 k = 0.4437 0.4437 0.4437 ( 2116 PWs) bands (ev): -65.8577 -65.8577 -32.8010 -32.8010 -32.5131 -32.5131 -32.5130 -32.5130 1.8493 1.8493 1.8526 1.8526 3.2038 3.2038 4.1833 4.1833 4.2044 4.2044 9.0397 9.0397 10.7586 10.7586 11.7328 11.7328 11.9525 11.9525 13.7763 13.7763 14.5249 14.5249 k = 0.4500 0.4500 0.4500 ( 2116 PWs) bands (ev): -65.8577 -65.8577 -32.8010 -32.8010 -32.5131 -32.5131 -32.5130 -32.5130 1.8471 1.8471 1.8498 1.8498 3.1981 3.1981 4.1944 4.1944 4.2112 4.2112 9.2010 9.2010 10.7389 10.7389 11.7474 11.7474 11.9456 11.9456 13.7443 13.7443 14.4605 14.4605 k = 0.4562 0.4562 0.4562 ( 2128 PWs) bands (ev): -65.8577 -65.8577 -32.8011 -32.8011 -32.5132 -32.5132 -32.5131 -32.5131 1.8451 1.8451 1.8472 1.8472 3.1930 3.1930 4.2042 4.2042 4.2172 4.2172 9.3576 9.3576 10.7158 10.7158 11.7613 11.7613 11.9328 11.9328 13.7284 13.7284 14.4025 14.4025 k = 0.4625 0.4625 0.4625 ( 2128 PWs) bands (ev): -65.8577 -65.8577 -32.8011 -32.8011 -32.5132 -32.5132 -32.5131 -32.5131 1.8434 1.8434 1.8450 1.8450 3.1887 3.1887 4.2129 4.2129 4.2225 4.2225 9.5083 9.5083 10.6886 10.6886 11.7742 11.7742 11.9149 11.9149 13.7290 13.7290 14.3514 14.3514 k = 0.4688 0.4687 0.4687 ( 2134 PWs) bands (ev): -65.8577 -65.8577 -32.8012 -32.8012 -32.5133 -32.5133 -32.5132 -32.5132 1.8419 1.8419 1.8430 1.8430 3.1850 3.1850 4.2203 4.2203 4.2269 4.2269 9.6515 9.6515 10.6565 10.6565 11.7858 11.7858 11.8934 11.8934 13.7461 13.7461 14.3075 14.3075 k = 0.4750 0.4750 0.4750 ( 2140 PWs) bands (ev): -65.8577 -65.8577 -32.8012 -32.8012 -32.5133 -32.5133 -32.5132 -32.5132 1.8408 1.8408 1.8415 1.8415 3.1820 3.1820 4.2264 4.2264 4.2306 4.2306 9.7853 9.7853 10.6188 10.6188 11.7958 11.7958 11.8704 11.8704 13.7786 13.7786 14.2711 14.2711 k = 0.4813 0.4812 0.4812 ( 2161 PWs) bands (ev): -65.8577 -65.8577 -32.8013 -32.8013 -32.5134 -32.5134 -32.5133 -32.5133 1.8398 1.8398 1.8402 1.8402 3.1796 3.1796 4.2311 4.2311 4.2335 4.2335 9.9065 9.9065 10.5760 10.5760 11.8038 11.8038 11.8486 11.8486 13.8247 13.8247 14.2423 14.2423 k = 0.4875 0.4875 0.4875 ( 2176 PWs) bands (ev): -65.8577 -65.8577 -32.8014 -32.8014 -32.5134 -32.5134 -32.5134 -32.5134 1.8391 1.8391 1.8393 1.8393 3.1779 3.1779 4.2345 4.2345 4.2356 4.2356 10.0102 10.0102 10.5305 10.5305 11.8098 11.8098 11.8306 11.8306 13.8805 13.8805 14.2216 14.2217 k = 0.4938 0.4937 0.4937 ( 2176 PWs) bands (ev): -65.8577 -65.8577 -32.8014 -32.8014 -32.5134 -32.5134 -32.5134 -32.5134 1.8387 1.8387 1.8388 1.8388 3.1769 3.1769 4.2366 4.2366 4.2369 4.2369 10.0860 10.0860 10.4907 10.4907 11.8134 11.8134 11.8187 11.8187 13.9360 13.9360 14.2092 14.2092 k = 0.5000 0.5000 0.5000 ( 2176 PWs) bands (ev): -65.8577 -65.8577 -32.8014 -32.8014 -32.5134 -32.5134 -32.5134 -32.5134 1.8386 1.8386 1.8386 1.8386 3.1766 3.1766 4.2373 4.2373 4.2373 4.2373 10.1155 10.1155 10.4732 10.4732 11.8146 11.8146 11.8146 11.8146 13.9637 13.9637 14.2050 14.2050 k = 0.5000 0.5000 0.5000 ( 2176 PWs) bands (ev): -65.8577 -65.8577 -32.8014 -32.8014 -32.5134 -32.5134 -32.5134 -32.5134 1.8386 1.8386 1.8386 1.8386 3.1766 3.1766 4.2373 4.2373 4.2373 4.2373 10.1155 10.1155 10.4732 10.4732 11.8146 11.8146 11.8146 11.8146 13.9637 13.9637 14.2050 14.2050 k = 0.4923 0.5000 0.4923 ( 2176 PWs) bands (ev): -65.8577 -65.8577 -32.8014 -32.8014 -32.5134 -32.5134 -32.5134 -32.5134 1.8387 1.8387 1.8388 1.8388 3.1769 3.1769 4.2364 4.2364 4.2370 4.2370 10.0858 10.0858 10.4907 10.4907 11.8109 11.8109 11.8213 11.8213 13.9355 13.9355 14.2101 14.2101 k = 0.4846 0.5000 0.4846 ( 2176 PWs) bands (ev): -65.8577 -65.8577 -32.8014 -32.8014 -32.5134 -32.5134 -32.5134 -32.5134 1.8390 1.8390 1.8395 1.8395 3.1779 3.1779 4.2339 4.2339 4.2362 4.2362 10.0101 10.0101 10.5299 10.5299 11.8000 11.8000 11.8409 11.8409 13.8777 13.8777 14.2241 14.2241 k = 0.4769 0.5000 0.4769 ( 2158 PWs) bands (ev): -65.8577 -65.8577 -32.8013 -32.8013 -32.5134 -32.5134 -32.5133 -32.5133 1.8394 1.8394 1.8406 1.8406 3.1796 3.1796 4.2297 4.2297 4.2349 4.2349 9.9079 9.9079 10.5722 10.5722 11.7830 11.7830 11.8721 11.8721 13.8169 13.8169 14.2440 14.2440 k = 0.4692 0.5000 0.4692 ( 2138 PWs) bands (ev): -65.8577 -65.8577 -32.8012 -32.8012 -32.5133 -32.5133 -32.5132 -32.5132 1.8400 1.8400 1.8422 1.8422 3.1820 3.1820 4.2238 4.2238 4.2330 4.2330 9.7899 9.7899 10.6078 10.6078 11.7615 11.7615 11.9128 11.9128 13.7623 13.7623 14.2656 14.2656 k = 0.4615 0.5000 0.4615 ( 2134 PWs) bands (ev): -65.8577 -65.8577 -32.8012 -32.8012 -32.5133 -32.5133 -32.5132 -32.5132 1.8408 1.8408 1.8442 1.8442 3.1851 3.1851 4.2164 4.2164 4.2306 4.2306 9.6617 9.6617 10.6323 10.6323 11.7380 11.7380 11.9605 11.9605 13.7171 13.7171 14.2861 14.2861 k = 0.4538 0.5000 0.4538 ( 2126 PWs) bands (ev): -65.8577 -65.8577 -32.8011 -32.8011 -32.5133 -32.5133 -32.5131 -32.5131 1.8418 1.8418 1.8466 1.8466 3.1888 3.1888 4.2074 4.2074 4.2276 4.2276 9.5264 9.5264 10.6433 10.6433 11.7153 11.7153 12.0131 12.0131 13.6825 13.6825 14.3047 14.3047 k = 0.4462 0.5000 0.4462 ( 2118 PWs) bands (ev): -65.8577 -65.8577 -32.8011 -32.8011 -32.5132 -32.5132 -32.5130 -32.5130 1.8430 1.8430 1.8494 1.8494 3.1932 3.1932 4.1970 4.1970 4.2241 4.2241 9.3861 9.3861 10.6393 10.6393 11.6968 11.6968 12.0685 12.0685 13.6586 13.6586 14.3219 14.3219 k = 0.4385 0.5000 0.4385 ( 2118 PWs) bands (ev): -65.8577 -65.8577 -32.8010 -32.8010 -32.5132 -32.5132 -32.5130 -32.5130 1.8443 1.8443 1.8526 1.8526 3.1983 3.1983 4.1851 4.1851 4.2200 4.2200 9.2425 9.2425 10.6191 10.6191 11.6854 11.6854 12.1251 12.1251 13.6452 13.6452 14.3386 14.3386 k = 0.4308 0.5000 0.4308 ( 2114 PWs) bands (ev): -65.8577 -65.8577 -32.8010 -32.8010 -32.5132 -32.5132 -32.5129 -32.5129 1.8457 1.8457 1.8561 1.8561 3.2040 3.2040 4.1720 4.1720 4.2153 4.2153 9.0966 9.0966 10.5824 10.5824 11.6835 11.6835 12.1818 12.1818 13.6416 13.6416 14.3555 14.3555 k = 0.4231 0.5000 0.4231 ( 2118 PWs) bands (ev): -65.8577 -65.8577 -32.8010 -32.8010 -32.5132 -32.5132 -32.5129 -32.5129 1.8474 1.8474 1.8599 1.8599 3.2104 3.2104 4.1576 4.1576 4.2100 4.2100 8.9496 8.9496 10.5299 10.5299 11.6924 11.6924 12.2380 12.2380 13.6472 13.6472 14.3729 14.3729 k = 0.4154 0.5000 0.4154 ( 2122 PWs) bands (ev): -65.8577 -65.8577 -32.8009 -32.8009 -32.5131 -32.5131 -32.5128 -32.5128 1.8492 1.8492 1.8641 1.8641 3.2175 3.2175 4.1421 4.1421 4.2041 4.2041 8.8021 8.8021 10.4630 10.4630 11.7122 11.7122 12.2934 12.2934 13.6614 13.6614 14.3912 14.3912 k = 0.4077 0.5000 0.4077 ( 2126 PWs) bands (ev): -65.8577 -65.8577 -32.8009 -32.8009 -32.5131 -32.5131 -32.5127 -32.5127 1.8512 1.8512 1.8685 1.8685 3.2252 3.2252 4.1255 4.1255 4.1975 4.1975 8.6549 8.6549 10.3836 10.3836 11.7423 11.7423 12.3479 12.3479 13.6835 13.6835 14.4107 14.4107 k = 0.4000 0.5000 0.4000 ( 2114 PWs) bands (ev): -65.8577 -65.8577 -32.8008 -32.8008 -32.5131 -32.5131 -32.5126 -32.5126 1.8533 1.8533 1.8731 1.8731 3.2336 3.2336 4.1081 4.1081 4.1903 4.1903 8.5085 8.5085 10.2939 10.2939 11.7817 11.7817 12.4017 12.4017 13.7128 13.7128 14.4315 14.4315 k = 0.3923 0.5000 0.3923 ( 2118 PWs) bands (ev): -65.8577 -65.8577 -32.8007 -32.8007 -32.5131 -32.5131 -32.5125 -32.5125 1.8556 1.8556 1.8779 1.8779 3.2426 3.2426 4.0898 4.0898 4.1825 4.1825 8.3634 8.3634 10.1959 10.1959 11.8293 11.8293 12.4550 12.4550 13.7489 13.7489 14.4536 14.4536 k = 0.3846 0.5000 0.3846 ( 2116 PWs) bands (ev): -65.8577 -65.8577 -32.8007 -32.8007 -32.5130 -32.5130 -32.5124 -32.5124 1.8580 1.8580 1.8829 1.8829 3.2522 3.2522 4.0708 4.0708 4.1740 4.1740 8.2201 8.2201 10.0914 10.0914 11.8841 11.8841 12.5083 12.5083 13.7912 13.7912 14.4772 14.4772 k = 0.3769 0.5000 0.3769 ( 2112 PWs) bands (ev): -65.8577 -65.8577 -32.8006 -32.8006 -32.5130 -32.5130 -32.5123 -32.5123 1.8606 1.8606 1.8880 1.8880 3.2625 3.2625 4.0513 4.0513 4.1647 4.1647 8.0787 8.0787 9.9819 9.9819 11.9451 11.9451 12.5619 12.5619 13.8394 13.8394 14.5023 14.5023 k = 0.3692 0.5000 0.3692 ( 2112 PWs) bands (ev): -65.8578 -65.8578 -32.8005 -32.8005 -32.5130 -32.5130 -32.5122 -32.5122 1.8633 1.8633 1.8932 1.8932 3.2732 3.2732 4.0313 4.0313 4.1547 4.1547 7.9398 7.9398 9.8685 9.8685 12.0115 12.0115 12.6162 12.6162 13.8930 13.8930 14.5289 14.5289 k = 0.3615 0.5000 0.3615 ( 2110 PWs) bands (ev): -65.8578 -65.8578 -32.8004 -32.8004 -32.5129 -32.5129 -32.5120 -32.5120 1.8662 1.8662 1.8984 1.8984 3.2846 3.2846 4.0109 4.0109 4.1440 4.1440 7.8036 7.8036 9.7523 9.7523 12.0826 12.0826 12.6717 12.6717 13.9517 13.9517 14.5572 14.5572 k = 0.3538 0.5000 0.3538 ( 2110 PWs) bands (ev): -65.8578 -65.8578 -32.8004 -32.8004 -32.5129 -32.5129 -32.5119 -32.5119 1.8691 1.8691 1.9036 1.9036 3.2964 3.2964 3.9903 3.9903 4.1326 4.1326 7.6703 7.6703 9.6341 9.6341 12.1577 12.1577 12.7289 12.7289 14.0153 14.0153 14.5871 14.5871 k = 0.3462 0.5000 0.3462 ( 2110 PWs) bands (ev): -65.8578 -65.8578 -32.8003 -32.8003 -32.5129 -32.5129 -32.5118 -32.5118 1.8722 1.8722 1.9088 1.9088 3.3088 3.3088 3.9695 3.9695 4.1203 4.1203 7.5401 7.5401 9.5144 9.5144 12.2362 12.2362 12.7881 12.7881 14.0835 14.0835 14.6188 14.6188 k = 0.3385 0.5000 0.3385 ( 2110 PWs) bands (ev): -65.8578 -65.8578 -32.8002 -32.8002 -32.5129 -32.5129 -32.5116 -32.5116 1.8755 1.8755 1.9139 1.9139 3.3216 3.3216 3.9486 3.9486 4.1073 4.1073 7.4134 7.4134 9.3939 9.3939 12.3176 12.3176 12.8498 12.8498 14.1560 14.1560 14.6522 14.6522 k = 0.3308 0.5000 0.3308 ( 2120 PWs) bands (ev): -65.8578 -65.8578 -32.8002 -32.8002 -32.5128 -32.5128 -32.5115 -32.5115 1.8788 1.8788 1.9189 1.9189 3.3347 3.3347 3.9278 3.9278 4.0934 4.0934 7.2901 7.2901 9.2730 9.2730 12.4014 12.4014 12.9146 12.9146 14.2326 14.2326 14.6874 14.6874 k = 0.3231 0.5000 0.3231 ( 2112 PWs) bands (ev): -65.8578 -65.8578 -32.8000 -32.8000 -32.5128 -32.5128 -32.5114 -32.5114 1.8822 1.8822 1.9237 1.9237 3.3483 3.3483 3.9071 3.9071 4.0789 4.0789 7.1706 7.1706 9.1520 9.1520 12.4869 12.4869 12.9830 12.9830 14.3131 14.3131 14.7246 14.7246 k = 0.3154 0.5000 0.3154 ( 2116 PWs) bands (ev): -65.8578 -65.8578 -32.8000 -32.8000 -32.5128 -32.5128 -32.5112 -32.5112 1.8857 1.8857 1.9284 1.9284 3.3620 3.3620 3.8867 3.8867 4.0635 4.0635 7.0550 7.0550 9.0312 9.0312 12.5736 12.5736 13.0554 13.0554 14.3973 14.3973 14.7638 14.7638 k = 0.3077 0.5000 0.3077 ( 2116 PWs) bands (ev): -65.8579 -65.8579 -32.7999 -32.7999 -32.5127 -32.5127 -32.5111 -32.5111 1.8892 1.8892 1.9329 1.9329 3.3760 3.3760 3.8664 3.8664 4.0474 4.0474 6.9434 6.9434 8.9108 8.9108 12.6610 12.6610 13.1322 13.1322 14.4849 14.4849 14.8051 14.8051 k = 0.3000 0.5000 0.3000 ( 2104 PWs) bands (ev): -65.8579 -65.8579 -32.7998 -32.7998 -32.5127 -32.5127 -32.5109 -32.5109 1.8928 1.8928 1.9371 1.9371 3.3902 3.3902 3.8465 3.8465 4.0307 4.0307 6.8360 6.8360 8.7912 8.7912 12.7488 12.7488 13.2140 13.2140 14.5757 14.5757 14.8487 14.8487 k = 0.2923 0.5000 0.2923 ( 2104 PWs) bands (ev): -65.8579 -65.8579 -32.7997 -32.7997 -32.5126 -32.5126 -32.5108 -32.5108 1.8965 1.8965 1.9410 1.9410 3.4043 3.4043 3.8269 3.8269 4.0135 4.0135 6.7327 6.7327 8.6725 8.6725 12.8366 12.8366 13.3008 13.3008 14.6689 14.6689 14.8951 14.8951 k = 0.2846 0.5000 0.2846 ( 2108 PWs) bands (ev): -65.8579 -65.8579 -32.7996 -32.7996 -32.5126 -32.5126 -32.5106 -32.5106 1.9001 1.9001 1.9446 1.9446 3.4184 3.4184 3.8077 3.8077 3.9957 3.9957 6.6339 6.6339 8.5548 8.5548 12.9243 12.9243 13.3929 13.3929 14.7638 14.7638 14.9451 14.9451 k = 0.2769 0.5000 0.2769 ( 2108 PWs) bands (ev): -65.8579 -65.8579 -32.7995 -32.7995 -32.5126 -32.5126 -32.5104 -32.5104 1.9038 1.9038 1.9479 1.9479 3.4323 3.4323 3.7889 3.7889 3.9778 3.9778 6.5394 6.5394 8.4383 8.4383 13.0118 13.0118 13.4902 13.4902 14.8585 14.8585 15.0005 15.0005 k = 0.2692 0.5000 0.2692 ( 2104 PWs) bands (ev): -65.8579 -65.8579 -32.7994 -32.7994 -32.5125 -32.5125 -32.5103 -32.5103 1.9074 1.9074 1.9508 1.9508 3.4459 3.4459 3.7703 3.7703 3.9597 3.9597 6.4494 6.4494 8.3230 8.3230 13.0993 13.0993 13.5926 13.5926 14.9489 14.9489 15.0653 15.0653 k = 0.2615 0.5000 0.2615 ( 2104 PWs) bands (ev): -65.8579 -65.8579 -32.7993 -32.7993 -32.5125 -32.5125 -32.5101 -32.5101 1.9110 1.9110 1.9534 1.9534 3.4590 3.4590 3.7520 3.7520 3.9419 3.9419 6.3639 6.3639 8.2093 8.2093 13.1870 13.1870 13.6996 13.6996 15.0291 15.0291 15.1451 15.1451 k = 0.2538 0.5000 0.2538 ( 2104 PWs) bands (ev): -65.8580 -65.8580 -32.7992 -32.7992 -32.5125 -32.5125 -32.5100 -32.5100 1.9144 1.9144 1.9556 1.9556 3.4715 3.4715 3.7338 3.7338 3.9246 3.9246 6.2828 6.2828 8.0970 8.0970 13.2752 13.2752 13.8110 13.8110 15.0984 15.0984 15.2408 15.2408 k = 0.2462 0.5000 0.2462 ( 2104 PWs) bands (ev): -65.8580 -65.8580 -32.7991 -32.7991 -32.5124 -32.5124 -32.5098 -32.5098 1.9178 1.9178 1.9575 1.9575 3.4831 3.4831 3.7156 3.7156 3.9083 3.9083 6.2062 6.2062 7.9864 7.9864 13.3644 13.3644 13.9264 13.9264 15.1619 15.1619 15.3471 15.3471 k = 0.2385 0.5000 0.2385 ( 2112 PWs) bands (ev): -65.8580 -65.8580 -32.7991 -32.7991 -32.5124 -32.5124 -32.5097 -32.5097 1.9210 1.9210 1.9589 1.9589 3.4937 3.4937 3.6974 3.6974 3.8934 3.8934 6.1341 6.1341 7.8775 7.8775 13.4547 13.4547 14.0452 14.0452 15.2235 15.2235 15.4599 15.4599 k = 0.2308 0.5000 0.2308 ( 2110 PWs) bands (ev): -65.8580 -65.8580 -32.7990 -32.7990 -32.5124 -32.5124 -32.5095 -32.5095 1.9240 1.9240 1.9600 1.9600 3.5030 3.5030 3.6789 3.6789 3.8803 3.8803 6.0663 6.0663 7.7704 7.7704 13.5465 13.5465 14.1673 14.1673 15.2853 15.2853 15.5773 15.5773 k = 0.2231 0.5000 0.2231 ( 2110 PWs) bands (ev): -65.8580 -65.8580 -32.7989 -32.7989 -32.5124 -32.5124 -32.5094 -32.5094 1.9268 1.9268 1.9607 1.9607 3.5106 3.5106 3.6603 3.6603 3.8695 3.8695 6.0028 6.0028 7.6652 7.6652 13.6401 13.6401 14.2920 14.2920 15.3481 15.3481 15.6982 15.6982 k = 0.2154 0.5000 0.2154 ( 2106 PWs) bands (ev): -65.8580 -65.8580 -32.7988 -32.7988 -32.5123 -32.5123 -32.5092 -32.5092 1.9294 1.9294 1.9610 1.9610 3.5162 3.5162 3.6418 3.6418 3.8611 3.8611 5.9435 5.9435 7.5620 7.5620 13.7358 13.7358 14.4192 14.4192 15.4123 15.4123 15.8222 15.8222 k = 0.2077 0.5000 0.2077 ( 2110 PWs) bands (ev): -65.8580 -65.8580 -32.7987 -32.7987 -32.5123 -32.5123 -32.5091 -32.5091 1.9316 1.9316 1.9610 1.9610 3.5189 3.5189 3.6241 3.6241 3.8554 3.8554 5.8882 5.8882 7.4608 7.4608 13.8336 13.8336 14.5485 14.5485 15.4780 15.4780 15.9490 15.9490 k = 0.2000 0.5000 0.2000 ( 2114 PWs) bands (ev): -65.8581 -65.8581 -32.7986 -32.7986 -32.5123 -32.5123 -32.5089 -32.5089 1.9335 1.9335 1.9607 1.9607 3.5179 3.5179 3.6083 3.6083 3.8525 3.8525 5.8369 5.8369 7.3618 7.3618 13.9337 13.9337 14.6796 14.6796 15.5455 15.5455 16.0784 16.0784 k = 0.1923 0.5000 0.1923 ( 2110 PWs) bands (ev): -65.8581 -65.8581 -32.7985 -32.7985 -32.5123 -32.5123 -32.5087 -32.5087 1.9351 1.9351 1.9600 1.9600 3.5120 3.5120 3.5958 3.5958 3.8521 3.8521 5.7893 5.7893 7.2650 7.2650 14.0363 14.0363 14.8122 14.8122 15.6149 15.6149 16.2102 16.2102 k = 0.1846 0.5000 0.1846 ( 2102 PWs) bands (ev): -65.8581 -65.8581 -32.7984 -32.7984 -32.5122 -32.5122 -32.5086 -32.5086 1.9362 1.9362 1.9590 1.9590 3.5005 3.5005 3.5875 3.5875 3.8540 3.8540 5.7453 5.7453 7.1704 7.1704 14.1414 14.1414 14.9460 14.9460 15.6860 15.6860 16.3443 16.3443 k = 0.1769 0.5000 0.1769 ( 2106 PWs) bands (ev): -65.8581 -65.8581 -32.7984 -32.7984 -32.5122 -32.5122 -32.5084 -32.5084 1.9369 1.9369 1.9577 1.9577 3.4844 3.4844 3.5830 3.5830 3.8580 3.8580 5.7047 5.7047 7.0783 7.0783 14.2490 14.2490 15.0808 15.0808 15.7589 15.7589 16.4805 16.4805 k = 0.1692 0.5000 0.1692 ( 2106 PWs) bands (ev): -65.8581 -65.8581 -32.7983 -32.7983 -32.5122 -32.5122 -32.5083 -32.5083 1.9371 1.9371 1.9563 1.9563 3.4654 3.4654 3.5809 3.5809 3.8637 3.8637 5.6673 5.6673 6.9886 6.9886 14.3592 14.3592 15.2163 15.2163 15.8337 15.8337 16.6188 16.6188 k = 0.1615 0.5000 0.1615 ( 2106 PWs) bands (ev): -65.8581 -65.8581 -32.7982 -32.7982 -32.5121 -32.5121 -32.5082 -32.5082 1.9368 1.9368 1.9546 1.9546 3.4449 3.4449 3.5803 3.5803 3.8709 3.8709 5.6331 5.6331 6.9015 6.9015 14.4719 14.4719 15.3523 15.3523 15.9102 15.9102 16.7590 16.7590 k = 0.1538 0.5000 0.1538 ( 2106 PWs) bands (ev): -65.8581 -65.8581 -32.7982 -32.7982 -32.5121 -32.5121 -32.5080 -32.5080 1.9361 1.9361 1.9527 1.9527 3.4239 3.4239 3.5806 3.5806 3.8791 3.8791 5.6017 5.6017 6.8170 6.8170 14.5871 14.5871 15.4884 15.4884 15.9885 15.9885 16.9012 16.9012 k = 0.1462 0.5000 0.1462 ( 2102 PWs) bands (ev): -65.8581 -65.8581 -32.7981 -32.7981 -32.5121 -32.5121 -32.5079 -32.5079 1.9349 1.9349 1.9507 1.9507 3.4030 3.4030 3.5815 3.5815 3.8882 3.8882 5.5731 5.5731 6.7352 6.7352 14.7047 14.7047 15.6245 15.6245 16.0684 16.0684 17.0450 17.0450 k = 0.1385 0.5000 0.1385 ( 2100 PWs) bands (ev): -65.8582 -65.8582 -32.7980 -32.7980 -32.5121 -32.5121 -32.5078 -32.5078 1.9332 1.9332 1.9485 1.9485 3.3825 3.3825 3.5829 3.5829 3.8978 3.8978 5.5470 5.5470 6.6563 6.6563 14.8244 14.8244 15.7602 15.7602 16.1499 16.1499 17.1906 17.1906 k = 0.1308 0.5000 0.1308 ( 2104 PWs) bands (ev): -65.8582 -65.8582 -32.7979 -32.7979 -32.5120 -32.5120 -32.5077 -32.5077 1.9311 1.9311 1.9462 1.9462 3.3628 3.3628 3.5847 3.5847 3.9079 3.9079 5.5233 5.5233 6.5804 6.5804 14.9461 14.9461 15.8953 15.8953 16.2329 16.2329 17.3377 17.3377 k = 0.1231 0.5000 0.1231 ( 2104 PWs) bands (ev): -65.8582 -65.8582 -32.7979 -32.7979 -32.5120 -32.5120 -32.5076 -32.5076 1.9287 1.9287 1.9438 1.9438 3.3440 3.3440 3.5868 3.5868 3.9181 3.9181 5.5019 5.5019 6.5075 6.5075 15.0694 15.0694 16.0295 16.0295 16.3172 16.3172 17.4864 17.4864 k = 0.1154 0.5000 0.1154 ( 2092 PWs) bands (ev): -65.8582 -65.8582 -32.7978 -32.7978 -32.5120 -32.5120 -32.5074 -32.5074 1.9259 1.9259 1.9414 1.9414 3.3264 3.3264 3.5893 3.5893 3.9284 3.9284 5.4826 5.4826 6.4379 6.4379 15.1941 15.1941 16.1626 16.1626 16.4027 16.4027 17.6365 17.6365 k = 0.1077 0.5000 0.1077 ( 2092 PWs) bands (ev): -65.8582 -65.8582 -32.7977 -32.7977 -32.5120 -32.5120 -32.5073 -32.5073 1.9228 1.9228 1.9389 1.9389 3.3099 3.3099 3.5921 3.5921 3.9386 3.9386 5.4653 5.4653 6.3715 6.3715 15.3197 15.3197 16.2941 16.2941 16.4892 16.4892 17.7879 17.7879 k = 0.1000 0.5000 0.1000 ( 2096 PWs) bands (ev): -65.8582 -65.8582 -32.7977 -32.7977 -32.5119 -32.5119 -32.5072 -32.5072 1.9195 1.9195 1.9364 1.9364 3.2947 3.2947 3.5951 3.5951 3.9487 3.9487 5.4498 5.4498 6.3087 6.3087 15.4455 15.4455 16.4237 16.4237 16.5765 16.5765 17.9403 17.9403 k = 0.0923 0.5000 0.0923 ( 2092 PWs) bands (ev): -65.8582 -65.8582 -32.7976 -32.7976 -32.5119 -32.5119 -32.5071 -32.5071 1.9160 1.9160 1.9339 1.9339 3.2808 3.2808 3.5983 3.5983 3.9584 3.9584 5.4360 5.4360 6.2494 6.2494 15.5708 15.5708 16.5509 16.5509 16.6645 16.6645 18.0940 18.0940 k = 0.0846 0.5000 0.0846 ( 2096 PWs) bands (ev): -65.8582 -65.8582 -32.7976 -32.7976 -32.5119 -32.5119 -32.5071 -32.5071 1.9124 1.9124 1.9315 1.9315 3.2682 3.2682 3.6016 3.6016 3.9677 3.9677 5.4239 5.4239 6.1939 6.1939 15.6949 15.6949 16.6749 16.6749 16.7535 16.7535 18.2484 18.2484 k = 0.0769 0.5000 0.0769 ( 2096 PWs) bands (ev): -65.8582 -65.8582 -32.7976 -32.7976 -32.5119 -32.5119 -32.5070 -32.5070 1.9088 1.9088 1.9292 1.9292 3.2569 3.2569 3.6049 3.6049 3.9766 3.9766 5.4132 5.4132 6.1424 6.1424 15.8166 15.8166 16.7928 16.7928 16.8454 16.8454 18.4037 18.4037 k = 0.0692 0.5000 0.0692 ( 2104 PWs) bands (ev): -65.8582 -65.8582 -32.7975 -32.7975 -32.5119 -32.5119 -32.5069 -32.5069 1.9053 1.9053 1.9270 1.9270 3.2468 3.2468 3.6083 3.6083 3.9849 3.9849 5.4040 5.4040 6.0950 6.0950 15.9346 15.9346 16.8976 16.8976 16.9461 16.9461 18.5594 18.5594 k = 0.0615 0.5000 0.0615 ( 2096 PWs) bands (ev): -65.8582 -65.8582 -32.7975 -32.7975 -32.5119 -32.5119 -32.5068 -32.5068 1.9019 1.9019 1.9250 1.9250 3.2379 3.2379 3.6116 3.6116 3.9926 3.9926 5.3961 5.3961 6.0519 6.0519 16.0475 16.0475 16.9874 16.9874 17.0567 17.0567 18.7155 18.7155 k = 0.0538 0.5000 0.0538 ( 2094 PWs) bands (ev): -65.8582 -65.8582 -32.7975 -32.7975 -32.5119 -32.5119 -32.5068 -32.5068 1.8986 1.8986 1.9231 1.9231 3.2302 3.2302 3.6147 3.6147 3.9996 3.9996 5.3894 5.3894 6.0132 6.0132 16.1535 16.1535 17.0683 17.0683 17.1692 17.1692 18.8713 18.8713 k = 0.0462 0.5000 0.0462 ( 2090 PWs) bands (ev): -65.8582 -65.8582 -32.7974 -32.7974 -32.5119 -32.5119 -32.5067 -32.5067 1.8957 1.8957 1.9215 1.9215 3.2237 3.2237 3.6176 3.6176 4.0058 4.0058 5.3839 5.3839 5.9793 5.9793 16.2508 16.2508 17.1427 17.1427 17.2794 17.2794 19.0261 19.0261 k = 0.0385 0.5000 0.0385 ( 2092 PWs) bands (ev): -65.8582 -65.8582 -32.7974 -32.7974 -32.5119 -32.5119 -32.5067 -32.5067 1.8930 1.8930 1.9201 1.9201 3.2183 3.2183 3.6202 3.6202 4.0112 4.0112 5.3793 5.3793 5.9501 5.9501 16.3374 16.3374 17.2100 17.2100 17.3846 17.3846 19.1788 19.1788 k = 0.0308 0.5000 0.0308 ( 2092 PWs) bands (ev): -65.8583 -65.8583 -32.7974 -32.7974 -32.5118 -32.5118 -32.5066 -32.5066 1.8908 1.8908 1.9189 1.9189 3.2139 3.2139 3.6224 3.6224 4.0157 4.0157 5.3758 5.3758 5.9260 5.9260 16.4113 16.4113 17.2687 17.2687 17.4822 17.4822 19.3273 19.3273 k = 0.0231 0.5000 0.0231 ( 2092 PWs) bands (ev): -65.8583 -65.8583 -32.7974 -32.7974 -32.5118 -32.5118 -32.5066 -32.5066 1.8890 1.8890 1.9180 1.9180 3.2105 3.2105 3.6241 3.6241 4.0193 4.0193 5.3731 5.3731 5.9070 5.9070 16.4709 16.4709 17.3171 17.3171 17.5680 17.5680 19.4664 19.4664 k = 0.0154 0.5000 0.0154 ( 2092 PWs) bands (ev): -65.8583 -65.8583 -32.7974 -32.7974 -32.5118 -32.5118 -32.5066 -32.5066 1.8877 1.8877 1.9173 1.9173 3.2081 3.2081 3.6254 3.6254 4.0218 4.0218 5.3713 5.3713 5.8934 5.8934 16.5145 16.5145 17.3534 17.3534 17.6367 17.6367 19.4961 19.4961 k = 0.0077 0.5000 0.0077 ( 2092 PWs) bands (ev): -65.8583 -65.8583 -32.7973 -32.7973 -32.5118 -32.5118 -32.5066 -32.5066 1.8869 1.8869 1.9169 1.9169 3.2067 3.2067 3.6262 3.6262 4.0234 4.0234 5.3702 5.3702 5.8851 5.8851 16.5412 16.5412 17.3759 17.3759 17.6817 17.6817 19.4330 19.4330 k = 0.0000 0.5000-0.0000 ( 2088 PWs) bands (ev): -65.8583 -65.8583 -32.7973 -32.7973 -32.5118 -32.5118 -32.5066 -32.5066 1.8866 1.8866 1.9168 1.9168 3.2062 3.2062 3.6265 3.6265 4.0239 4.0239 5.3699 5.3699 5.8824 5.8824 16.5501 16.5501 17.3835 17.3835 17.6975 17.6975 19.4110 19.4110 k = 0.5000 0.5000-0.0000 ( 2096 PWs) bands (ev): -65.8580 -65.8580 -32.7991 -32.7991 -32.5137 -32.5137 -32.5085 -32.5085 1.8135 1.8135 1.9229 1.9229 3.5522 3.5522 3.5809 3.5809 4.2899 4.2899 7.5349 7.5349 8.2312 8.2312 8.8310 8.8310 12.0264 12.0264 20.2978 20.2978 20.3945 20.3945 k = 0.5000 0.5000 0.0109 ( 2096 PWs) bands (ev): -65.8580 -65.8580 -32.7991 -32.7991 -32.5137 -32.5137 -32.5085 -32.5085 1.8136 1.8136 1.9231 1.9231 3.5517 3.5517 3.5812 3.5812 4.2897 4.2897 7.5359 7.5359 8.2334 8.2334 8.8334 8.8334 12.0273 12.0273 20.2759 20.2759 20.3777 20.3777 k = 0.5000 0.5000 0.0217 ( 2096 PWs) bands (ev): -65.8580 -65.8580 -32.7991 -32.7991 -32.5137 -32.5137 -32.5085 -32.5085 1.8138 1.8138 1.9237 1.9237 3.5502 3.5502 3.5819 3.5819 4.2890 4.2890 7.5387 7.5387 8.2401 8.2401 8.8407 8.8407 12.0300 12.0300 20.2119 20.2119 20.3287 20.3287 k = 0.5000 0.5000 0.0326 ( 2104 PWs) bands (ev): -65.8580 -65.8580 -32.7992 -32.7992 -32.5137 -32.5137 -32.5086 -32.5086 1.8141 1.8141 1.9248 1.9248 3.5477 3.5477 3.5832 3.5832 4.2879 4.2879 7.5434 7.5434 8.2513 8.2513 8.8528 8.8528 12.0345 12.0345 20.1109 20.1109 20.2506 20.2506 k = 0.5000 0.5000 0.0435 ( 2104 PWs) bands (ev): -65.8580 -65.8580 -32.7992 -32.7992 -32.5137 -32.5137 -32.5086 -32.5086 1.8147 1.8147 1.9261 1.9261 3.5442 3.5442 3.5851 3.5851 4.2864 4.2864 7.5500 7.5500 8.2669 8.2669 8.8697 8.8697 12.0407 12.0407 19.9791 19.9791 20.1489 20.1489 k = 0.5000 0.5000 0.0543 ( 2096 PWs) bands (ev): -65.8579 -65.8579 -32.7992 -32.7992 -32.5137 -32.5137 -32.5086 -32.5086 1.8153 1.8153 1.9278 1.9278 3.5398 3.5398 3.5876 3.5876 4.2845 4.2845 7.5586 7.5586 8.2870 8.2870 8.8913 8.8913 12.0488 12.0488 19.8229 19.8229 20.0283 20.0283 k = 0.5000 0.5000 0.0652 ( 2104 PWs) bands (ev): -65.8580 -65.8580 -32.7992 -32.7992 -32.5137 -32.5137 -32.5087 -32.5087 1.8161 1.8161 1.9298 1.9298 3.5345 3.5345 3.5908 3.5908 4.2823 4.2823 7.5691 7.5691 8.3112 8.3112 8.9176 8.9176 12.0586 12.0586 19.6476 19.6476 19.8927 19.8927 k = 0.5000 0.5000 0.0761 ( 2104 PWs) bands (ev): -65.8579 -65.8579 -32.7993 -32.7993 -32.5137 -32.5137 -32.5088 -32.5088 1.8170 1.8170 1.9320 1.9320 3.5282 3.5282 3.5948 3.5948 4.2797 4.2797 7.5816 7.5816 8.3398 8.3398 8.9484 8.9484 12.0703 12.0703 19.4577 19.4577 19.7461 19.7461 k = 0.5000 0.5000 0.0870 ( 2108 PWs) bands (ev): -65.8579 -65.8579 -32.7993 -32.7993 -32.5137 -32.5137 -32.5089 -32.5089 1.8180 1.8180 1.9343 1.9343 3.5211 3.5211 3.5996 3.5996 4.2770 4.2770 7.5961 7.5961 8.3726 8.3726 8.9838 8.9838 12.0838 12.0838 19.2563 19.2563 19.5912 19.5912 k = 0.5000 0.5000 0.0978 ( 2108 PWs) bands (ev): -65.8579 -65.8579 -32.7993 -32.7993 -32.5137 -32.5137 -32.5090 -32.5090 1.8191 1.8191 1.9366 1.9366 3.5131 3.5131 3.6054 3.6054 4.2741 4.2741 7.6127 7.6127 8.4094 8.4094 9.0235 9.0235 12.0991 12.0991 19.0459 19.0459 19.4306 19.4306 k = 0.5000 0.5000 0.1087 ( 2108 PWs) bands (ev): -65.8579 -65.8579 -32.7994 -32.7994 -32.5137 -32.5137 -32.5091 -32.5091 1.8203 1.8203 1.9389 1.9389 3.5043 3.5043 3.6122 3.6122 4.2710 4.2710 7.6314 7.6314 8.4501 8.4501 9.0675 9.0675 12.1162 12.1162 18.8282 18.8282 19.2659 19.2659 k = 0.5000 0.5000 0.1196 ( 2096 PWs) bands (ev): -65.8579 -65.8579 -32.7994 -32.7994 -32.5136 -32.5136 -32.5091 -32.5091 1.8216 1.8216 1.9411 1.9411 3.4947 3.4947 3.6202 3.6202 4.2679 4.2679 7.6524 7.6524 8.4948 8.4948 9.1157 9.1157 12.1352 12.1352 18.6046 18.6046 19.0988 19.0988 k = 0.5000 0.5000 0.1304 ( 2096 PWs) bands (ev): -65.8579 -65.8579 -32.7994 -32.7994 -32.5136 -32.5136 -32.5092 -32.5092 1.8229 1.8229 1.9430 1.9430 3.4845 3.4845 3.6293 3.6293 4.2648 4.2648 7.6756 7.6756 8.5432 8.5432 9.1678 9.1678 12.1561 12.1561 18.3760 18.3760 18.9295 18.9295 k = 0.5000 0.5000 0.1413 ( 2096 PWs) bands (ev): -65.8579 -65.8579 -32.7995 -32.7995 -32.5136 -32.5136 -32.5093 -32.5093 1.8242 1.8242 1.9447 1.9447 3.4736 3.4736 3.6398 3.6398 4.2617 4.2617 7.7011 7.7011 8.5952 8.5952 9.2239 9.2239 12.1788 12.1788 18.1434 18.1434 18.7592 18.7592 k = 0.5000 0.5000 0.1522 ( 2096 PWs) bands (ev): -65.8579 -65.8579 -32.7995 -32.7995 -32.5136 -32.5136 -32.5095 -32.5095 1.8256 1.8256 1.9460 1.9460 3.4622 3.4622 3.6516 3.6516 4.2587 4.2587 7.7291 7.7291 8.6507 8.6507 9.2837 9.2837 12.2034 12.2034 17.9075 17.9075 18.5886 18.5886 k = 0.5000 0.5000 0.1630 ( 2080 PWs) bands (ev): -65.8579 -65.8579 -32.7995 -32.7995 -32.5135 -32.5135 -32.5095 -32.5095 1.8270 1.8270 1.9469 1.9469 3.4502 3.4502 3.6647 3.6647 4.2558 4.2558 7.7595 7.7595 8.7095 8.7095 9.3472 9.3472 12.2299 12.2299 17.6688 17.6688 18.4183 18.4183 k = 0.5000 0.5000 0.1739 ( 2088 PWs) bands (ev): -65.8579 -65.8579 -32.7996 -32.7996 -32.5135 -32.5135 -32.5097 -32.5097 1.8284 1.8284 1.9473 1.9473 3.4378 3.4378 3.6793 3.6793 4.2530 4.2530 7.7925 7.7925 8.7716 8.7716 9.4140 9.4140 12.2583 12.2583 17.4279 17.4279 18.2484 18.2484 k = 0.5000 0.5000 0.1848 ( 2088 PWs) bands (ev): -65.8579 -65.8579 -32.7997 -32.7997 -32.5135 -32.5135 -32.5098 -32.5098 1.8298 1.8298 1.9472 1.9472 3.4251 3.4251 3.6954 3.6954 4.2504 4.2504 7.8282 7.8282 8.8367 8.8367 9.4842 9.4842 12.2886 12.2886 17.1854 17.1854 18.0795 18.0795 k = 0.5000 0.5000 0.1957 ( 2104 PWs) bands (ev): -65.8579 -65.8579 -32.7998 -32.7998 -32.5136 -32.5136 -32.5100 -32.5100 1.8311 1.8311 1.9465 1.9465 3.4121 3.4121 3.7128 3.7128 4.2479 4.2479 7.8667 7.8667 8.9046 8.9046 9.5576 9.5576 12.3209 12.3209 16.9417 16.9417 17.9117 17.9117 k = 0.5000 0.5000 0.2065 ( 2104 PWs) bands (ev): -65.8579 -65.8579 -32.7999 -32.7999 -32.5136 -32.5136 -32.5102 -32.5102 1.8324 1.8324 1.9452 1.9452 3.3989 3.3989 3.7316 3.7316 4.2457 4.2457 7.9081 7.9081 8.9754 8.9754 9.6340 9.6340 12.3551 12.3551 16.6975 16.6975 17.7452 17.7452 k = 0.5000 0.5000 0.2174 ( 2108 PWs) bands (ev): -65.8578 -65.8578 -32.7999 -32.7999 -32.5135 -32.5135 -32.5104 -32.5104 1.8337 1.8337 1.9433 1.9433 3.3856 3.3856 3.7517 3.7517 4.2437 4.2437 7.9524 7.9524 9.0488 9.0488 9.7133 9.7133 12.3914 12.3914 16.4532 16.4532 17.5801 17.5801 k = 0.5000 0.5000 0.2283 ( 2108 PWs) bands (ev): -65.8578 -65.8578 -32.8000 -32.8000 -32.5135 -32.5135 -32.5105 -32.5105 1.8348 1.8348 1.9409 1.9409 3.3723 3.3723 3.7731 3.7731 4.2419 4.2419 7.9999 7.9999 9.1245 9.1245 9.7953 9.7953 12.4296 12.4296 16.2093 16.2093 17.4168 17.4168 k = 0.5000 0.5000 0.2391 ( 2108 PWs) bands (ev): -65.8578 -65.8578 -32.8001 -32.8001 -32.5135 -32.5135 -32.5107 -32.5107 1.8359 1.8359 1.9379 1.9379 3.3590 3.3590 3.7955 3.7955 4.2404 4.2404 8.0505 8.0505 9.2025 9.2025 9.8799 9.8799 12.4699 12.4699 15.9661 15.9661 17.2551 17.2551 k = 0.5000 0.5000 0.2500 ( 2112 PWs) bands (ev): -65.8578 -65.8578 -32.8002 -32.8002 -32.5135 -32.5135 -32.5108 -32.5108 1.8369 1.8369 1.9343 1.9343 3.3458 3.3458 3.8189 3.8189 4.2390 4.2390 8.1045 8.1045 9.2825 9.2825 9.9669 9.9669 12.5122 12.5122 15.7242 15.7242 17.0719 17.0719 k = 0.5000 0.5000 0.2609 ( 2112 PWs) bands (ev): -65.8578 -65.8578 -32.8002 -32.8002 -32.5135 -32.5135 -32.5110 -32.5110 1.8377 1.8377 1.9303 1.9303 3.3328 3.3328 3.8432 3.8432 4.2378 4.2378 8.1619 8.1619 9.3644 9.3644 10.0562 10.0562 12.5566 12.5566 15.4839 15.4839 16.8800 16.8800 k = 0.5000 0.5000 0.2717 ( 2112 PWs) bands (ev): -65.8578 -65.8578 -32.8003 -32.8003 -32.5135 -32.5135 -32.5112 -32.5112 1.8385 1.8385 1.9258 1.9258 3.3201 3.3201 3.8682 3.8682 4.2369 4.2369 8.2229 8.2229 9.4478 9.4478 10.1475 10.1475 12.6030 12.6030 15.2455 15.2455 16.6922 16.6922 k = 0.5000 0.5000 0.2826 ( 2112 PWs) bands (ev): -65.8578 -65.8578 -32.8004 -32.8004 -32.5134 -32.5134 -32.5113 -32.5113 1.8392 1.8392 1.9209 1.9209 3.3077 3.3077 3.8936 3.8936 4.2361 4.2361 8.2875 8.2875 9.5325 9.5325 10.2407 10.2407 12.6516 12.6516 15.0095 15.0095 16.5083 16.5083 k = 0.5000 0.5000 0.2935 ( 2120 PWs) bands (ev): -65.8578 -65.8578 -32.8004 -32.8004 -32.5135 -32.5135 -32.5115 -32.5115 1.8397 1.8397 1.9157 1.9157 3.2956 3.2956 3.9194 3.9194 4.2355 4.2355 8.3558 8.3558 9.6183 9.6183 10.3355 10.3355 12.7023 12.7023 14.7762 14.7762 16.3286 16.3286 k = 0.5000 0.5000 0.3043 ( 2120 PWs) bands (ev): -65.8578 -65.8578 -32.8005 -32.8005 -32.5134 -32.5134 -32.5117 -32.5117 1.8402 1.8402 1.9102 1.9102 3.2840 3.2840 3.9453 3.9453 4.2351 4.2351 8.4279 8.4279 9.7048 9.7048 10.4318 10.4318 12.7551 12.7551 14.5460 14.5460 16.1531 16.1531 k = 0.5000 0.5000 0.3152 ( 2120 PWs) bands (ev): -65.8578 -65.8578 -32.8006 -32.8006 -32.5134 -32.5134 -32.5118 -32.5118 1.8405 1.8405 1.9046 1.9046 3.2728 3.2728 3.9712 3.9712 4.2348 4.2348 8.5039 8.5039 9.7916 9.7916 10.5293 10.5293 12.8101 12.8101 14.3192 14.3192 15.9819 15.9819 k = 0.5000 0.5000 0.3261 ( 2120 PWs) bands (ev): -65.8577 -65.8577 -32.8006 -32.8006 -32.5134 -32.5134 -32.5120 -32.5120 1.8407 1.8407 1.8988 1.8988 3.2621 3.2621 3.9967 3.9967 4.2346 4.2346 8.5839 8.5839 9.8784 9.8784 10.6278 10.6278 12.8672 12.8672 14.0963 14.0963 15.8155 15.8155 k = 0.5000 0.5000 0.3370 ( 2120 PWs) bands (ev): -65.8577 -65.8577 -32.8007 -32.8007 -32.5134 -32.5134 -32.5121 -32.5121 1.8409 1.8409 1.8930 1.8930 3.2520 3.2520 4.0219 4.0219 4.2345 4.2345 8.6678 8.6678 9.9647 9.9647 10.7269 10.7269 12.9265 12.9265 13.8776 13.8776 15.6537 15.6537 k = 0.5000 0.5000 0.3478 ( 2124 PWs) bands (ev): -65.8577 -65.8577 -32.8008 -32.8008 -32.5134 -32.5134 -32.5123 -32.5123 1.8409 1.8409 1.8872 1.8872 3.2425 3.2425 4.0464 4.0464 4.2346 4.2346 8.7557 8.7557 10.0498 10.0498 10.8263 10.8263 12.9881 12.9881 13.6636 13.6636 15.4971 15.4971 k = 0.5000 0.5000 0.3587 ( 2124 PWs) bands (ev): -65.8577 -65.8577 -32.8008 -32.8008 -32.5133 -32.5133 -32.5124 -32.5124 1.8409 1.8409 1.8815 1.8815 3.2335 3.2335 4.0700 4.0700 4.2347 4.2347 8.8475 8.8475 10.1331 10.1331 10.9256 10.9256 13.0518 13.0518 13.4549 13.4549 15.3460 15.3460 k = 0.5000 0.5000 0.3696 ( 2124 PWs) bands (ev): -65.8577 -65.8577 -32.8009 -32.8009 -32.5133 -32.5133 -32.5125 -32.5125 1.8408 1.8408 1.8759 1.8759 3.2252 3.2252 4.0927 4.0927 4.2349 4.2349 8.9432 8.9432 10.2137 10.2137 11.0243 11.0243 13.1177 13.1177 13.2521 13.2521 15.2008 15.2008 k = 0.5000 0.5000 0.3804 ( 2120 PWs) bands (ev): -65.8577 -65.8577 -32.8009 -32.8009 -32.5133 -32.5133 -32.5126 -32.5126 1.8406 1.8406 1.8705 1.8705 3.2175 3.2175 4.1142 4.1142 4.2351 4.2351 9.0427 9.0427 10.2907 10.2907 11.1218 11.1218 13.0560 13.0560 13.1858 13.1858 15.0620 15.0620 k = 0.5000 0.5000 0.3913 ( 2120 PWs) bands (ev): -65.8577 -65.8577 -32.8010 -32.8010 -32.5133 -32.5133 -32.5127 -32.5127 1.8404 1.8404 1.8655 1.8655 3.2104 3.2104 4.1343 4.1343 4.2353 4.2353 9.1457 9.1457 10.3626 10.3626 11.2174 11.2174 12.8676 12.8676 13.2560 13.2560 14.9303 14.9303 k = 0.5000 0.5000 0.4022 ( 2112 PWs) bands (ev): -65.8577 -65.8577 -32.8010 -32.8010 -32.5133 -32.5133 -32.5128 -32.5128 1.8402 1.8402 1.8607 1.8607 3.2040 3.2040 4.1530 4.1530 4.2356 4.2356 9.2519 9.2519 10.4281 10.4281 11.3105 11.3105 12.6881 12.6881 13.3284 13.3284 14.8063 14.8063 k = 0.5000 0.5000 0.4130 ( 2112 PWs) bands (ev): -65.8577 -65.8577 -32.8010 -32.8010 -32.5133 -32.5133 -32.5129 -32.5129 1.8399 1.8399 1.8563 1.8563 3.1982 3.1982 4.1700 4.1700 4.2359 4.2359 9.3611 9.3611 10.4850 10.4850 11.3999 11.3999 12.5191 12.5191 13.4027 13.4027 14.6910 14.6910 k = 0.5000 0.5000 0.4239 ( 2120 PWs) bands (ev): -65.8577 -65.8577 -32.8011 -32.8011 -32.5133 -32.5133 -32.5129 -32.5129 1.8397 1.8397 1.8523 1.8523 3.1932 3.1932 4.1854 4.1854 4.2362 4.2362 9.4725 9.4725 10.5312 10.5312 11.4845 11.4845 12.3627 12.3627 13.4789 13.4789 14.5852 14.5852 k = 0.5000 0.5000 0.4348 ( 2120 PWs) bands (ev): -65.8577 -65.8577 -32.8011 -32.8011 -32.5133 -32.5133 -32.5130 -32.5130 1.8394 1.8394 1.8488 1.8488 3.1888 3.1888 4.1989 4.1989 4.2364 4.2364 9.5854 9.5854 10.5641 10.5641 11.5631 11.5631 12.2214 12.2214 13.5568 13.5568 14.4900 14.4900 k = 0.5000 0.5000 0.4457 ( 2128 PWs) bands (ev): -65.8577 -65.8577 -32.8012 -32.8012 -32.5133 -32.5133 -32.5131 -32.5131 1.8392 1.8392 1.8457 1.8457 3.1851 3.1851 4.2105 4.2105 4.2367 4.2367 9.6985 9.6985 10.5809 10.5809 11.6340 11.6340 12.0979 12.0979 13.6360 13.6360 14.4066 14.4066 k = 0.5000 0.5000 0.4565 ( 2144 PWs) bands (ev): -65.8577 -65.8577 -32.8012 -32.8012 -32.5134 -32.5134 -32.5132 -32.5132 1.8390 1.8390 1.8432 1.8432 3.1820 3.1820 4.2200 4.2200 4.2369 4.2369 9.8100 9.8100 10.5796 10.5796 11.6955 11.6955 11.9951 11.9951 13.7159 13.7159 14.3360 14.3360 k = 0.5000 0.5000 0.4674 ( 2160 PWs) bands (ev): -65.8577 -65.8577 -32.8013 -32.8013 -32.5134 -32.5134 -32.5133 -32.5133 1.8388 1.8388 1.8412 1.8412 3.1796 3.1796 4.2275 4.2275 4.2371 4.2371 9.9166 9.9166 10.5602 10.5602 11.7460 11.7460 11.9151 11.9151 13.7952 13.7952 14.2796 14.2797 k = 0.5000 0.5000 0.4783 ( 2176 PWs) bands (ev): -65.8577 -65.8577 -32.8014 -32.8014 -32.5134 -32.5134 -32.5134 -32.5134 1.8387 1.8387 1.8398 1.8398 3.1779 3.1779 4.2329 4.2329 4.2372 4.2372 10.0126 10.0126 10.5267 10.5267 11.7835 11.7835 11.8587 11.8587 13.8709 13.8709 14.2385 14.2385 k = 0.5000 0.5000 0.4891 ( 2176 PWs) bands (ev): -65.8577 -65.8577 -32.8014 -32.8014 -32.5134 -32.5134 -32.5134 -32.5134 1.8386 1.8386 1.8389 1.8389 3.1769 3.1769 4.2362 4.2362 4.2373 4.2373 10.0860 10.0860 10.4904 10.4904 11.8068 11.8068 11.8255 11.8255 13.9348 13.9348 14.2134 14.2135 k = 0.5000 0.5000 0.5000 ( 2176 PWs) bands (ev): -65.8577 -65.8577 -32.8014 -32.8014 -32.5134 -32.5134 -32.5134 -32.5134 1.8386 1.8386 1.8386 1.8386 3.1766 3.1766 4.2373 4.2373 4.2373 4.2373 10.1155 10.1155 10.4732 10.4732 11.8146 11.8146 11.8146 11.8146 13.9637 13.9637 14.2050 14.2050 Writing output data file MgHg.save init_run : 0.37s CPU 0.49s WALL ( 1 calls) electrons : 47.45s CPU 48.70s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 47.44s CPU 48.69s 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 : 0.01s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.02s WALL ( 354 calls) cegterg : 44.71s CPU 45.67s WALL ( 454 calls) Called by sum_band: Called by *egterg: h_psi : 17.96s CPU 18.53s WALL ( 7432 calls) s_psi : 0.76s CPU 0.75s WALL ( 7432 calls) g_psi : 0.07s CPU 0.08s WALL ( 6624 calls) cdiaghg : 23.59s CPU 24.11s WALL ( 6978 calls) cegterg:over : 1.64s CPU 1.68s WALL ( 6624 calls) cegterg:upda : 1.21s CPU 1.24s WALL ( 6624 calls) cegterg:last : 0.73s CPU 0.70s WALL ( 1254 calls) cdiaghg:chol : 1.12s CPU 1.20s WALL ( 6978 calls) cdiaghg:inve : 0.49s CPU 0.56s WALL ( 6978 calls) cdiaghg:para : 1.45s CPU 1.46s WALL ( 13956 calls) Called by h_psi: h_psi:vloc : 16.34s CPU 16.73s WALL ( 7432 calls) h_psi:vnl : 1.60s CPU 1.75s WALL ( 7432 calls) add_vuspsi : 0.89s CPU 0.93s WALL ( 7432 calls) General routines calbec : 0.70s CPU 0.80s WALL ( 7432 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 15.09s CPU 15.25s WALL ( 465804 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.09s CPU 0.13s WALL ( 708 calls) Parallel routines fft_scatter : 9.42s CPU 9.50s WALL ( 465827 calls) PWSCF : 0m55.71s CPU 1m 5.03s WALL This run was terminated on: 19:41:31 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=