Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:27:10 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: ./CaPd.save/ file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized file Pd.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 5S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 52 23 6 1744 485 80 Max 53 24 8 1751 510 85 Sum 1901 829 249 62933 17845 2969 bravais-lattice index = 14 lattice parameter (alat) = 6.6424 a.u. unit-cell volume = 293.0708 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 28.00 number of Kohn-Sham states= 36 kinetic-energy cutoff = 59.0000 Ry charge density cutoff = 545.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.642387 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 Ca read from file: /users/gautes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef 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 1169 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 Pd read from file: /users/gautes/Pseudo/Pd.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 7926b04c0aa9b348bf6cb39d90ce6236 Pseudo is Ultrasoft + core correction, Zval = 18.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1235 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ca 10.00 40.07800 Ca( 1.00) Pd 18.00 106.42000 Pd( 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= 347 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028818 k( 2) = ( 0.0000000 0.0111111 -0.0000000), wk = 0.0028818 k( 3) = ( 0.0000000 0.0222222 -0.0000000), wk = 0.0028818 k( 4) = ( 0.0000000 0.0333333 -0.0000000), wk = 0.0028818 k( 5) = ( 0.0000000 0.0444444 -0.0000000), wk = 0.0028818 k( 6) = ( 0.0000000 0.0555556 -0.0000000), wk = 0.0028818 k( 7) = ( 0.0000000 0.0666667 -0.0000000), wk = 0.0028818 k( 8) = ( 0.0000000 0.0777778 -0.0000000), wk = 0.0028818 k( 9) = ( 0.0000000 0.0888889 -0.0000000), wk = 0.0028818 k( 10) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0028818 k( 11) = ( 0.0000000 0.1111111 -0.0000000), wk = 0.0028818 k( 12) = ( 0.0000000 0.1222222 -0.0000000), wk = 0.0028818 k( 13) = ( 0.0000000 0.1333333 -0.0000000), wk = 0.0028818 k( 14) = ( 0.0000000 0.1444444 -0.0000000), wk = 0.0028818 k( 15) = ( 0.0000000 0.1555556 -0.0000000), wk = 0.0028818 k( 16) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0028818 k( 17) = ( 0.0000000 0.1777778 -0.0000000), wk = 0.0028818 k( 18) = ( 0.0000000 0.1888889 -0.0000000), wk = 0.0028818 k( 19) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0028818 k( 20) = ( 0.0000000 0.2111111 -0.0000000), wk = 0.0028818 k( 21) = ( 0.0000000 0.2222222 -0.0000000), wk = 0.0028818 k( 22) = ( 0.0000000 0.2333333 -0.0000000), wk = 0.0028818 k( 23) = ( 0.0000000 0.2444444 -0.0000000), wk = 0.0028818 k( 24) = ( 0.0000000 0.2555556 -0.0000000), wk = 0.0028818 k( 25) = ( 0.0000000 0.2666667 -0.0000000), wk = 0.0028818 k( 26) = ( 0.0000000 0.2777778 -0.0000000), wk = 0.0028818 k( 27) = ( 0.0000000 0.2888889 -0.0000000), wk = 0.0028818 k( 28) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0028818 k( 29) = ( 0.0000000 0.3111111 -0.0000000), wk = 0.0028818 k( 30) = ( 0.0000000 0.3222222 -0.0000000), wk = 0.0028818 k( 31) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0028818 k( 32) = ( 0.0000000 0.3444444 -0.0000000), wk = 0.0028818 k( 33) = ( 0.0000000 0.3555556 -0.0000000), wk = 0.0028818 k( 34) = ( 0.0000000 0.3666667 -0.0000000), wk = 0.0028818 k( 35) = ( 0.0000000 0.3777778 -0.0000000), wk = 0.0028818 k( 36) = ( 0.0000000 0.3888889 -0.0000000), wk = 0.0028818 k( 37) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0028818 k( 38) = ( 0.0000000 0.4111111 -0.0000000), wk = 0.0028818 k( 39) = ( 0.0000000 0.4222222 -0.0000000), wk = 0.0028818 k( 40) = ( 0.0000000 0.4333333 -0.0000000), wk = 0.0028818 k( 41) = ( 0.0000000 0.4444444 -0.0000000), wk = 0.0028818 k( 42) = ( 0.0000000 0.4555556 -0.0000000), wk = 0.0028818 k( 43) = ( 0.0000000 0.4666667 -0.0000000), wk = 0.0028818 k( 44) = ( 0.0000000 0.4777778 -0.0000000), wk = 0.0028818 k( 45) = ( 0.0000000 0.4888889 -0.0000000), wk = 0.0028818 k( 46) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028818 k( 47) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028818 k( 48) = ( 0.0111111 0.5000000 -0.0000000), wk = 0.0028818 k( 49) = ( 0.0222222 0.5000000 -0.0000000), wk = 0.0028818 k( 50) = ( 0.0333333 0.5000000 -0.0000000), wk = 0.0028818 k( 51) = ( 0.0444444 0.5000000 -0.0000000), wk = 0.0028818 k( 52) = ( 0.0555556 0.5000000 -0.0000000), wk = 0.0028818 k( 53) = ( 0.0666667 0.5000000 -0.0000000), wk = 0.0028818 k( 54) = ( 0.0777778 0.5000000 -0.0000000), wk = 0.0028818 k( 55) = ( 0.0888889 0.5000000 -0.0000000), wk = 0.0028818 k( 56) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0028818 k( 57) = ( 0.1111111 0.5000000 -0.0000000), wk = 0.0028818 k( 58) = ( 0.1222222 0.5000000 -0.0000000), wk = 0.0028818 k( 59) = ( 0.1333333 0.5000000 -0.0000000), wk = 0.0028818 k( 60) = ( 0.1444444 0.5000000 -0.0000000), wk = 0.0028818 k( 61) = ( 0.1555556 0.5000000 -0.0000000), wk = 0.0028818 k( 62) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0028818 k( 63) = ( 0.1777778 0.5000000 -0.0000000), wk = 0.0028818 k( 64) = ( 0.1888889 0.5000000 -0.0000000), wk = 0.0028818 k( 65) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0028818 k( 66) = ( 0.2111111 0.5000000 -0.0000000), wk = 0.0028818 k( 67) = ( 0.2222222 0.5000000 -0.0000000), wk = 0.0028818 k( 68) = ( 0.2333333 0.5000000 -0.0000000), wk = 0.0028818 k( 69) = ( 0.2444444 0.5000000 -0.0000000), wk = 0.0028818 k( 70) = ( 0.2555556 0.5000000 -0.0000000), wk = 0.0028818 k( 71) = ( 0.2666667 0.5000000 -0.0000000), wk = 0.0028818 k( 72) = ( 0.2777778 0.5000000 -0.0000000), wk = 0.0028818 k( 73) = ( 0.2888889 0.5000000 -0.0000000), wk = 0.0028818 k( 74) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0028818 k( 75) = ( 0.3111111 0.5000000 -0.0000000), wk = 0.0028818 k( 76) = ( 0.3222222 0.5000000 -0.0000000), wk = 0.0028818 k( 77) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0028818 k( 78) = ( 0.3444444 0.5000000 -0.0000000), wk = 0.0028818 k( 79) = ( 0.3555556 0.5000000 -0.0000000), wk = 0.0028818 k( 80) = ( 0.3666667 0.5000000 -0.0000000), wk = 0.0028818 k( 81) = ( 0.3777778 0.5000000 -0.0000000), wk = 0.0028818 k( 82) = ( 0.3888889 0.5000000 -0.0000000), wk = 0.0028818 k( 83) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0028818 k( 84) = ( 0.4111111 0.5000000 -0.0000000), wk = 0.0028818 k( 85) = ( 0.4222222 0.5000000 -0.0000000), wk = 0.0028818 k( 86) = ( 0.4333333 0.5000000 -0.0000000), wk = 0.0028818 k( 87) = ( 0.4444444 0.5000000 -0.0000000), wk = 0.0028818 k( 88) = ( 0.4555556 0.5000000 -0.0000000), wk = 0.0028818 k( 89) = ( 0.4666667 0.5000000 -0.0000000), wk = 0.0028818 k( 90) = ( 0.4777778 0.5000000 -0.0000000), wk = 0.0028818 k( 91) = ( 0.4888889 0.5000000 -0.0000000), wk = 0.0028818 k( 92) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028818 k( 93) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028818 k( 94) = ( 0.4921875 0.4921875 -0.0000000), wk = 0.0028818 k( 95) = ( 0.4843750 0.4843750 -0.0000000), wk = 0.0028818 k( 96) = ( 0.4765625 0.4765625 -0.0000000), wk = 0.0028818 k( 97) = ( 0.4687500 0.4687500 -0.0000000), wk = 0.0028818 k( 98) = ( 0.4609375 0.4609375 -0.0000000), wk = 0.0028818 k( 99) = ( 0.4531250 0.4531250 -0.0000000), wk = 0.0028818 k( 100) = ( 0.4453125 0.4453125 -0.0000000), wk = 0.0028818 k( 101) = ( 0.4375000 0.4375000 -0.0000000), wk = 0.0028818 k( 102) = ( 0.4296875 0.4296875 -0.0000000), wk = 0.0028818 k( 103) = ( 0.4218750 0.4218750 -0.0000000), wk = 0.0028818 k( 104) = ( 0.4140625 0.4140625 -0.0000000), wk = 0.0028818 k( 105) = ( 0.4062500 0.4062500 -0.0000000), wk = 0.0028818 k( 106) = ( 0.3984375 0.3984375 -0.0000000), wk = 0.0028818 k( 107) = ( 0.3906250 0.3906250 -0.0000000), wk = 0.0028818 k( 108) = ( 0.3828125 0.3828125 -0.0000000), wk = 0.0028818 k( 109) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0028818 k( 110) = ( 0.3671875 0.3671875 -0.0000000), wk = 0.0028818 k( 111) = ( 0.3593750 0.3593750 -0.0000000), wk = 0.0028818 k( 112) = ( 0.3515625 0.3515625 -0.0000000), wk = 0.0028818 k( 113) = ( 0.3437500 0.3437500 -0.0000000), wk = 0.0028818 k( 114) = ( 0.3359375 0.3359375 -0.0000000), wk = 0.0028818 k( 115) = ( 0.3281250 0.3281250 -0.0000000), wk = 0.0028818 k( 116) = ( 0.3203125 0.3203125 -0.0000000), wk = 0.0028818 k( 117) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0028818 k( 118) = ( 0.3046875 0.3046875 -0.0000000), wk = 0.0028818 k( 119) = ( 0.2968750 0.2968750 -0.0000000), wk = 0.0028818 k( 120) = ( 0.2890625 0.2890625 -0.0000000), wk = 0.0028818 k( 121) = ( 0.2812500 0.2812500 -0.0000000), wk = 0.0028818 k( 122) = ( 0.2734375 0.2734375 -0.0000000), wk = 0.0028818 k( 123) = ( 0.2656250 0.2656250 -0.0000000), wk = 0.0028818 k( 124) = ( 0.2578125 0.2578125 -0.0000000), wk = 0.0028818 k( 125) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0028818 k( 126) = ( 0.2421875 0.2421875 -0.0000000), wk = 0.0028818 k( 127) = ( 0.2343750 0.2343750 -0.0000000), wk = 0.0028818 k( 128) = ( 0.2265625 0.2265625 -0.0000000), wk = 0.0028818 k( 129) = ( 0.2187500 0.2187500 -0.0000000), wk = 0.0028818 k( 130) = ( 0.2109375 0.2109375 -0.0000000), wk = 0.0028818 k( 131) = ( 0.2031250 0.2031250 -0.0000000), wk = 0.0028818 k( 132) = ( 0.1953125 0.1953125 -0.0000000), wk = 0.0028818 k( 133) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0028818 k( 134) = ( 0.1796875 0.1796875 -0.0000000), wk = 0.0028818 k( 135) = ( 0.1718750 0.1718750 -0.0000000), wk = 0.0028818 k( 136) = ( 0.1640625 0.1640625 -0.0000000), wk = 0.0028818 k( 137) = ( 0.1562500 0.1562500 -0.0000000), wk = 0.0028818 k( 138) = ( 0.1484375 0.1484375 -0.0000000), wk = 0.0028818 k( 139) = ( 0.1406250 0.1406250 -0.0000000), wk = 0.0028818 k( 140) = ( 0.1328125 0.1328125 -0.0000000), wk = 0.0028818 k( 141) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0028818 k( 142) = ( 0.1171875 0.1171875 -0.0000000), wk = 0.0028818 k( 143) = ( 0.1093750 0.1093750 -0.0000000), wk = 0.0028818 k( 144) = ( 0.1015625 0.1015625 -0.0000000), wk = 0.0028818 k( 145) = ( 0.0937500 0.0937500 -0.0000000), wk = 0.0028818 k( 146) = ( 0.0859375 0.0859375 -0.0000000), wk = 0.0028818 k( 147) = ( 0.0781250 0.0781250 -0.0000000), wk = 0.0028818 k( 148) = ( 0.0703125 0.0703125 -0.0000000), wk = 0.0028818 k( 149) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0028818 k( 150) = ( 0.0546875 0.0546875 -0.0000000), wk = 0.0028818 k( 151) = ( 0.0468750 0.0468750 -0.0000000), wk = 0.0028818 k( 152) = ( 0.0390625 0.0390625 -0.0000000), wk = 0.0028818 k( 153) = ( 0.0312500 0.0312500 -0.0000000), wk = 0.0028818 k( 154) = ( 0.0234375 0.0234375 -0.0000000), wk = 0.0028818 k( 155) = ( 0.0156250 0.0156250 -0.0000000), wk = 0.0028818 k( 156) = ( 0.0078125 0.0078125 -0.0000000), wk = 0.0028818 k( 157) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028818 k( 158) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028818 k( 159) = ( 0.0064103 0.0064103 0.0064103), wk = 0.0028818 k( 160) = ( 0.0128205 0.0128205 0.0128205), wk = 0.0028818 k( 161) = ( 0.0192308 0.0192308 0.0192308), wk = 0.0028818 k( 162) = ( 0.0256410 0.0256410 0.0256410), wk = 0.0028818 k( 163) = ( 0.0320513 0.0320513 0.0320513), wk = 0.0028818 k( 164) = ( 0.0384615 0.0384615 0.0384615), wk = 0.0028818 k( 165) = ( 0.0448718 0.0448718 0.0448718), wk = 0.0028818 k( 166) = ( 0.0512821 0.0512820 0.0512820), wk = 0.0028818 k( 167) = ( 0.0576923 0.0576923 0.0576923), wk = 0.0028818 k( 168) = ( 0.0641026 0.0641026 0.0641026), wk = 0.0028818 k( 169) = ( 0.0705128 0.0705128 0.0705128), wk = 0.0028818 k( 170) = ( 0.0769231 0.0769231 0.0769231), wk = 0.0028818 k( 171) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0028818 k( 172) = ( 0.0897436 0.0897436 0.0897436), wk = 0.0028818 k( 173) = ( 0.0961538 0.0961538 0.0961538), wk = 0.0028818 k( 174) = ( 0.1025641 0.1025641 0.1025641), wk = 0.0028818 k( 175) = ( 0.1089744 0.1089744 0.1089744), wk = 0.0028818 k( 176) = ( 0.1153846 0.1153846 0.1153846), wk = 0.0028818 k( 177) = ( 0.1217949 0.1217949 0.1217949), wk = 0.0028818 k( 178) = ( 0.1282051 0.1282051 0.1282051), wk = 0.0028818 k( 179) = ( 0.1346154 0.1346154 0.1346154), wk = 0.0028818 k( 180) = ( 0.1410256 0.1410256 0.1410256), wk = 0.0028818 k( 181) = ( 0.1474359 0.1474359 0.1474359), wk = 0.0028818 k( 182) = ( 0.1538461 0.1538461 0.1538461), wk = 0.0028818 k( 183) = ( 0.1602564 0.1602564 0.1602564), wk = 0.0028818 k( 184) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0028818 k( 185) = ( 0.1730769 0.1730769 0.1730769), wk = 0.0028818 k( 186) = ( 0.1794872 0.1794872 0.1794872), wk = 0.0028818 k( 187) = ( 0.1858974 0.1858974 0.1858974), wk = 0.0028818 k( 188) = ( 0.1923077 0.1923077 0.1923077), wk = 0.0028818 k( 189) = ( 0.1987180 0.1987179 0.1987179), wk = 0.0028818 k( 190) = ( 0.2051282 0.2051282 0.2051282), wk = 0.0028818 k( 191) = ( 0.2115385 0.2115385 0.2115385), wk = 0.0028818 k( 192) = ( 0.2179487 0.2179487 0.2179487), wk = 0.0028818 k( 193) = ( 0.2243590 0.2243590 0.2243590), wk = 0.0028818 k( 194) = ( 0.2307692 0.2307692 0.2307692), wk = 0.0028818 k( 195) = ( 0.2371795 0.2371795 0.2371795), wk = 0.0028818 k( 196) = ( 0.2435897 0.2435897 0.2435897), wk = 0.0028818 k( 197) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028818 k( 198) = ( 0.2564103 0.2564103 0.2564103), wk = 0.0028818 k( 199) = ( 0.2628205 0.2628205 0.2628205), wk = 0.0028818 k( 200) = ( 0.2692308 0.2692308 0.2692308), wk = 0.0028818 k( 201) = ( 0.2756410 0.2756410 0.2756410), wk = 0.0028818 k( 202) = ( 0.2820513 0.2820513 0.2820513), wk = 0.0028818 k( 203) = ( 0.2884615 0.2884615 0.2884615), wk = 0.0028818 k( 204) = ( 0.2948718 0.2948718 0.2948718), wk = 0.0028818 k( 205) = ( 0.3012821 0.3012820 0.3012820), wk = 0.0028818 k( 206) = ( 0.3076923 0.3076923 0.3076923), wk = 0.0028818 k( 207) = ( 0.3141026 0.3141026 0.3141026), wk = 0.0028818 k( 208) = ( 0.3205128 0.3205128 0.3205128), wk = 0.0028818 k( 209) = ( 0.3269231 0.3269231 0.3269231), wk = 0.0028818 k( 210) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0028818 k( 211) = ( 0.3397436 0.3397436 0.3397436), wk = 0.0028818 k( 212) = ( 0.3461538 0.3461538 0.3461538), wk = 0.0028818 k( 213) = ( 0.3525641 0.3525641 0.3525641), wk = 0.0028818 k( 214) = ( 0.3589744 0.3589744 0.3589744), wk = 0.0028818 k( 215) = ( 0.3653846 0.3653846 0.3653846), wk = 0.0028818 k( 216) = ( 0.3717949 0.3717949 0.3717949), wk = 0.0028818 k( 217) = ( 0.3782051 0.3782051 0.3782051), wk = 0.0028818 k( 218) = ( 0.3846154 0.3846154 0.3846154), wk = 0.0028818 k( 219) = ( 0.3910256 0.3910256 0.3910256), wk = 0.0028818 k( 220) = ( 0.3974359 0.3974359 0.3974359), wk = 0.0028818 k( 221) = ( 0.4038462 0.4038461 0.4038461), wk = 0.0028818 k( 222) = ( 0.4102564 0.4102564 0.4102564), wk = 0.0028818 k( 223) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0028818 k( 224) = ( 0.4230769 0.4230769 0.4230769), wk = 0.0028818 k( 225) = ( 0.4294872 0.4294872 0.4294872), wk = 0.0028818 k( 226) = ( 0.4358974 0.4358974 0.4358974), wk = 0.0028818 k( 227) = ( 0.4423077 0.4423077 0.4423077), wk = 0.0028818 k( 228) = ( 0.4487179 0.4487179 0.4487179), wk = 0.0028818 k( 229) = ( 0.4551282 0.4551282 0.4551282), wk = 0.0028818 k( 230) = ( 0.4615385 0.4615385 0.4615385), wk = 0.0028818 k( 231) = ( 0.4679487 0.4679487 0.4679487), wk = 0.0028818 k( 232) = ( 0.4743590 0.4743590 0.4743590), wk = 0.0028818 k( 233) = ( 0.4807692 0.4807692 0.4807692), wk = 0.0028818 k( 234) = ( 0.4871795 0.4871795 0.4871795), wk = 0.0028818 k( 235) = ( 0.4935897 0.4935897 0.4935897), wk = 0.0028818 k( 236) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028818 k( 237) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028818 k( 238) = ( 0.4921875 0.5000000 0.4921875), wk = 0.0028818 k( 239) = ( 0.4843750 0.5000000 0.4843750), wk = 0.0028818 k( 240) = ( 0.4765625 0.5000000 0.4765625), wk = 0.0028818 k( 241) = ( 0.4687500 0.5000000 0.4687500), wk = 0.0028818 k( 242) = ( 0.4609375 0.5000000 0.4609375), wk = 0.0028818 k( 243) = ( 0.4531250 0.5000000 0.4531250), wk = 0.0028818 k( 244) = ( 0.4453125 0.5000000 0.4453125), wk = 0.0028818 k( 245) = ( 0.4375000 0.5000000 0.4375000), wk = 0.0028818 k( 246) = ( 0.4296875 0.5000000 0.4296875), wk = 0.0028818 k( 247) = ( 0.4218750 0.5000000 0.4218750), wk = 0.0028818 k( 248) = ( 0.4140625 0.5000000 0.4140625), wk = 0.0028818 k( 249) = ( 0.4062500 0.5000000 0.4062500), wk = 0.0028818 k( 250) = ( 0.3984375 0.5000000 0.3984375), wk = 0.0028818 k( 251) = ( 0.3906250 0.5000000 0.3906250), wk = 0.0028818 k( 252) = ( 0.3828125 0.5000000 0.3828125), wk = 0.0028818 k( 253) = ( 0.3750000 0.5000000 0.3750000), wk = 0.0028818 k( 254) = ( 0.3671875 0.5000000 0.3671875), wk = 0.0028818 k( 255) = ( 0.3593750 0.5000000 0.3593750), wk = 0.0028818 k( 256) = ( 0.3515625 0.5000000 0.3515625), wk = 0.0028818 k( 257) = ( 0.3437500 0.5000000 0.3437500), wk = 0.0028818 k( 258) = ( 0.3359375 0.5000000 0.3359375), wk = 0.0028818 k( 259) = ( 0.3281250 0.5000000 0.3281250), wk = 0.0028818 k( 260) = ( 0.3203125 0.5000000 0.3203125), wk = 0.0028818 k( 261) = ( 0.3125000 0.5000000 0.3125000), wk = 0.0028818 k( 262) = ( 0.3046875 0.5000000 0.3046875), wk = 0.0028818 k( 263) = ( 0.2968750 0.5000000 0.2968750), wk = 0.0028818 k( 264) = ( 0.2890625 0.5000000 0.2890625), wk = 0.0028818 k( 265) = ( 0.2812500 0.5000000 0.2812500), wk = 0.0028818 k( 266) = ( 0.2734375 0.5000000 0.2734375), wk = 0.0028818 k( 267) = ( 0.2656250 0.5000000 0.2656250), wk = 0.0028818 k( 268) = ( 0.2578125 0.5000000 0.2578125), wk = 0.0028818 k( 269) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0028818 k( 270) = ( 0.2421875 0.5000000 0.2421875), wk = 0.0028818 k( 271) = ( 0.2343750 0.5000000 0.2343750), wk = 0.0028818 k( 272) = ( 0.2265625 0.5000000 0.2265625), wk = 0.0028818 k( 273) = ( 0.2187500 0.5000000 0.2187500), wk = 0.0028818 k( 274) = ( 0.2109375 0.5000000 0.2109375), wk = 0.0028818 k( 275) = ( 0.2031250 0.5000000 0.2031250), wk = 0.0028818 k( 276) = ( 0.1953125 0.5000000 0.1953125), wk = 0.0028818 k( 277) = ( 0.1875000 0.5000000 0.1875000), wk = 0.0028818 k( 278) = ( 0.1796875 0.5000000 0.1796875), wk = 0.0028818 k( 279) = ( 0.1718750 0.5000000 0.1718750), wk = 0.0028818 k( 280) = ( 0.1640625 0.5000000 0.1640625), wk = 0.0028818 k( 281) = ( 0.1562500 0.5000000 0.1562500), wk = 0.0028818 k( 282) = ( 0.1484375 0.5000000 0.1484375), wk = 0.0028818 k( 283) = ( 0.1406250 0.5000000 0.1406250), wk = 0.0028818 k( 284) = ( 0.1328125 0.5000000 0.1328125), wk = 0.0028818 k( 285) = ( 0.1250000 0.5000000 0.1250000), wk = 0.0028818 k( 286) = ( 0.1171875 0.5000000 0.1171875), wk = 0.0028818 k( 287) = ( 0.1093750 0.5000000 0.1093750), wk = 0.0028818 k( 288) = ( 0.1015625 0.5000000 0.1015625), wk = 0.0028818 k( 289) = ( 0.0937500 0.5000000 0.0937500), wk = 0.0028818 k( 290) = ( 0.0859375 0.5000000 0.0859375), wk = 0.0028818 k( 291) = ( 0.0781250 0.5000000 0.0781250), wk = 0.0028818 k( 292) = ( 0.0703125 0.5000000 0.0703125), wk = 0.0028818 k( 293) = ( 0.0625000 0.5000000 0.0625000), wk = 0.0028818 k( 294) = ( 0.0546875 0.5000000 0.0546875), wk = 0.0028818 k( 295) = ( 0.0468750 0.5000000 0.0468750), wk = 0.0028818 k( 296) = ( 0.0390625 0.5000000 0.0390625), wk = 0.0028818 k( 297) = ( 0.0312500 0.5000000 0.0312500), wk = 0.0028818 k( 298) = ( 0.0234375 0.5000000 0.0234375), wk = 0.0028818 k( 299) = ( 0.0156250 0.5000000 0.0156250), wk = 0.0028818 k( 300) = ( 0.0078125 0.5000000 0.0078125), wk = 0.0028818 k( 301) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028818 k( 302) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028818 k( 303) = ( 0.5000000 0.5000000 0.0111111), wk = 0.0028818 k( 304) = ( 0.5000000 0.5000000 0.0222222), wk = 0.0028818 k( 305) = ( 0.5000000 0.5000000 0.0333333), wk = 0.0028818 k( 306) = ( 0.5000000 0.5000000 0.0444444), wk = 0.0028818 k( 307) = ( 0.5000000 0.5000000 0.0555556), wk = 0.0028818 k( 308) = ( 0.5000000 0.5000000 0.0666667), wk = 0.0028818 k( 309) = ( 0.5000000 0.5000000 0.0777778), wk = 0.0028818 k( 310) = ( 0.5000000 0.5000000 0.0888889), wk = 0.0028818 k( 311) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0028818 k( 312) = ( 0.5000000 0.5000000 0.1111111), wk = 0.0028818 k( 313) = ( 0.5000000 0.5000000 0.1222222), wk = 0.0028818 k( 314) = ( 0.5000000 0.5000000 0.1333333), wk = 0.0028818 k( 315) = ( 0.5000000 0.5000000 0.1444444), wk = 0.0028818 k( 316) = ( 0.5000000 0.5000000 0.1555556), wk = 0.0028818 k( 317) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0028818 k( 318) = ( 0.5000000 0.5000000 0.1777778), wk = 0.0028818 k( 319) = ( 0.5000000 0.5000000 0.1888889), wk = 0.0028818 k( 320) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0028818 k( 321) = ( 0.5000000 0.5000000 0.2111111), wk = 0.0028818 k( 322) = ( 0.5000000 0.5000000 0.2222222), wk = 0.0028818 k( 323) = ( 0.5000000 0.5000000 0.2333333), wk = 0.0028818 k( 324) = ( 0.5000000 0.5000000 0.2444444), wk = 0.0028818 k( 325) = ( 0.5000000 0.5000000 0.2555556), wk = 0.0028818 k( 326) = ( 0.5000000 0.5000000 0.2666667), wk = 0.0028818 k( 327) = ( 0.5000000 0.5000000 0.2777778), wk = 0.0028818 k( 328) = ( 0.5000000 0.5000000 0.2888889), wk = 0.0028818 k( 329) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0028818 k( 330) = ( 0.5000000 0.5000000 0.3111111), wk = 0.0028818 k( 331) = ( 0.5000000 0.5000000 0.3222222), wk = 0.0028818 k( 332) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0028818 k( 333) = ( 0.5000000 0.5000000 0.3444444), wk = 0.0028818 k( 334) = ( 0.5000000 0.5000000 0.3555556), wk = 0.0028818 k( 335) = ( 0.5000000 0.5000000 0.3666667), wk = 0.0028818 k( 336) = ( 0.5000000 0.5000000 0.3777778), wk = 0.0028818 k( 337) = ( 0.5000000 0.5000000 0.3888889), wk = 0.0028818 k( 338) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0028818 k( 339) = ( 0.5000000 0.5000000 0.4111111), wk = 0.0028818 k( 340) = ( 0.5000000 0.5000000 0.4222222), wk = 0.0028818 k( 341) = ( 0.5000000 0.5000000 0.4333333), wk = 0.0028818 k( 342) = ( 0.5000000 0.5000000 0.4444444), wk = 0.0028818 k( 343) = ( 0.5000000 0.5000000 0.4555556), wk = 0.0028818 k( 344) = ( 0.5000000 0.5000000 0.4666667), wk = 0.0028818 k( 345) = ( 0.5000000 0.5000000 0.4777778), wk = 0.0028818 k( 346) = ( 0.5000000 0.5000000 0.4888889), wk = 0.0028818 k( 347) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028818 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028818 k( 2) = ( 0.0000000 0.0111111 0.0000000), wk = 0.0028818 k( 3) = ( 0.0000000 0.0222222 0.0000000), wk = 0.0028818 k( 4) = ( 0.0000000 0.0333333 0.0000000), wk = 0.0028818 k( 5) = ( 0.0000000 0.0444444 0.0000000), wk = 0.0028818 k( 6) = ( 0.0000000 0.0555556 0.0000000), wk = 0.0028818 k( 7) = ( 0.0000000 0.0666667 0.0000000), wk = 0.0028818 k( 8) = ( 0.0000000 0.0777778 0.0000000), wk = 0.0028818 k( 9) = ( 0.0000000 0.0888889 0.0000000), wk = 0.0028818 k( 10) = ( 0.0000000 0.1000000 0.0000000), wk = 0.0028818 k( 11) = ( 0.0000000 0.1111111 0.0000000), wk = 0.0028818 k( 12) = ( 0.0000000 0.1222222 0.0000000), wk = 0.0028818 k( 13) = ( 0.0000000 0.1333333 0.0000000), wk = 0.0028818 k( 14) = ( 0.0000000 0.1444444 0.0000000), wk = 0.0028818 k( 15) = ( 0.0000000 0.1555556 0.0000000), wk = 0.0028818 k( 16) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0028818 k( 17) = ( 0.0000000 0.1777778 0.0000000), wk = 0.0028818 k( 18) = ( 0.0000000 0.1888889 0.0000000), wk = 0.0028818 k( 19) = ( 0.0000000 0.2000000 0.0000000), wk = 0.0028818 k( 20) = ( 0.0000000 0.2111111 0.0000000), wk = 0.0028818 k( 21) = ( 0.0000000 0.2222222 0.0000000), wk = 0.0028818 k( 22) = ( 0.0000000 0.2333333 0.0000000), wk = 0.0028818 k( 23) = ( 0.0000000 0.2444444 0.0000000), wk = 0.0028818 k( 24) = ( 0.0000000 0.2555556 0.0000000), wk = 0.0028818 k( 25) = ( 0.0000000 0.2666667 0.0000000), wk = 0.0028818 k( 26) = ( 0.0000000 0.2777778 0.0000000), wk = 0.0028818 k( 27) = ( 0.0000000 0.2888889 0.0000000), wk = 0.0028818 k( 28) = ( 0.0000000 0.3000000 0.0000000), wk = 0.0028818 k( 29) = ( 0.0000000 0.3111111 0.0000000), wk = 0.0028818 k( 30) = ( 0.0000000 0.3222222 0.0000000), wk = 0.0028818 k( 31) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0028818 k( 32) = ( 0.0000000 0.3444444 0.0000000), wk = 0.0028818 k( 33) = ( 0.0000000 0.3555556 0.0000000), wk = 0.0028818 k( 34) = ( 0.0000000 0.3666667 0.0000000), wk = 0.0028818 k( 35) = ( 0.0000000 0.3777778 0.0000000), wk = 0.0028818 k( 36) = ( 0.0000000 0.3888889 0.0000000), wk = 0.0028818 k( 37) = ( 0.0000000 0.4000000 0.0000000), wk = 0.0028818 k( 38) = ( 0.0000000 0.4111111 0.0000000), wk = 0.0028818 k( 39) = ( 0.0000000 0.4222222 0.0000000), wk = 0.0028818 k( 40) = ( 0.0000000 0.4333333 0.0000000), wk = 0.0028818 k( 41) = ( 0.0000000 0.4444444 0.0000000), wk = 0.0028818 k( 42) = ( 0.0000000 0.4555556 0.0000000), wk = 0.0028818 k( 43) = ( 0.0000000 0.4666667 0.0000000), wk = 0.0028818 k( 44) = ( 0.0000000 0.4777778 0.0000000), wk = 0.0028818 k( 45) = ( 0.0000000 0.4888889 0.0000000), wk = 0.0028818 k( 46) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028818 k( 47) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028818 k( 48) = ( 0.0111111 0.5000000 0.0000000), wk = 0.0028818 k( 49) = ( 0.0222222 0.5000000 0.0000000), wk = 0.0028818 k( 50) = ( 0.0333333 0.5000000 0.0000000), wk = 0.0028818 k( 51) = ( 0.0444444 0.5000000 0.0000000), wk = 0.0028818 k( 52) = ( 0.0555556 0.5000000 0.0000000), wk = 0.0028818 k( 53) = ( 0.0666667 0.5000000 0.0000000), wk = 0.0028818 k( 54) = ( 0.0777778 0.5000000 0.0000000), wk = 0.0028818 k( 55) = ( 0.0888889 0.5000000 0.0000000), wk = 0.0028818 k( 56) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0028818 k( 57) = ( 0.1111111 0.5000000 0.0000000), wk = 0.0028818 k( 58) = ( 0.1222222 0.5000000 0.0000000), wk = 0.0028818 k( 59) = ( 0.1333333 0.5000000 0.0000000), wk = 0.0028818 k( 60) = ( 0.1444444 0.5000000 0.0000000), wk = 0.0028818 k( 61) = ( 0.1555556 0.5000000 0.0000000), wk = 0.0028818 k( 62) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0028818 k( 63) = ( 0.1777778 0.5000000 0.0000000), wk = 0.0028818 k( 64) = ( 0.1888889 0.5000000 0.0000000), wk = 0.0028818 k( 65) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0028818 k( 66) = ( 0.2111111 0.5000000 0.0000000), wk = 0.0028818 k( 67) = ( 0.2222222 0.5000000 0.0000000), wk = 0.0028818 k( 68) = ( 0.2333333 0.5000000 0.0000000), wk = 0.0028818 k( 69) = ( 0.2444444 0.5000000 0.0000000), wk = 0.0028818 k( 70) = ( 0.2555556 0.5000000 0.0000000), wk = 0.0028818 k( 71) = ( 0.2666667 0.5000000 0.0000000), wk = 0.0028818 k( 72) = ( 0.2777778 0.5000000 0.0000000), wk = 0.0028818 k( 73) = ( 0.2888889 0.5000000 -0.0000000), wk = 0.0028818 k( 74) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0028818 k( 75) = ( 0.3111111 0.5000000 0.0000000), wk = 0.0028818 k( 76) = ( 0.3222222 0.5000000 0.0000000), wk = 0.0028818 k( 77) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0028818 k( 78) = ( 0.3444444 0.5000000 0.0000000), wk = 0.0028818 k( 79) = ( 0.3555556 0.5000000 0.0000000), wk = 0.0028818 k( 80) = ( 0.3666667 0.5000000 0.0000000), wk = 0.0028818 k( 81) = ( 0.3777778 0.5000000 0.0000000), wk = 0.0028818 k( 82) = ( 0.3888889 0.5000000 0.0000000), wk = 0.0028818 k( 83) = ( 0.4000000 0.5000000 0.0000000), wk = 0.0028818 k( 84) = ( 0.4111111 0.5000000 0.0000000), wk = 0.0028818 k( 85) = ( 0.4222222 0.5000000 0.0000000), wk = 0.0028818 k( 86) = ( 0.4333333 0.5000000 -0.0000000), wk = 0.0028818 k( 87) = ( 0.4444444 0.5000000 0.0000000), wk = 0.0028818 k( 88) = ( 0.4555556 0.5000000 0.0000000), wk = 0.0028818 k( 89) = ( 0.4666667 0.5000000 0.0000000), wk = 0.0028818 k( 90) = ( 0.4777778 0.5000000 0.0000000), wk = 0.0028818 k( 91) = ( 0.4888889 0.5000000 0.0000000), wk = 0.0028818 k( 92) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0028818 k( 93) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0028818 k( 94) = ( 0.4921875 0.4921875 0.0000000), wk = 0.0028818 k( 95) = ( 0.4843750 0.4843750 0.0000000), wk = 0.0028818 k( 96) = ( 0.4765625 0.4765625 0.0000000), wk = 0.0028818 k( 97) = ( 0.4687500 0.4687500 0.0000000), wk = 0.0028818 k( 98) = ( 0.4609375 0.4609375 0.0000000), wk = 0.0028818 k( 99) = ( 0.4531250 0.4531250 0.0000000), wk = 0.0028818 k( 100) = ( 0.4453125 0.4453125 0.0000000), wk = 0.0028818 k( 101) = ( 0.4375000 0.4375000 0.0000000), wk = 0.0028818 k( 102) = ( 0.4296875 0.4296875 0.0000000), wk = 0.0028818 k( 103) = ( 0.4218750 0.4218750 0.0000000), wk = 0.0028818 k( 104) = ( 0.4140625 0.4140625 0.0000000), wk = 0.0028818 k( 105) = ( 0.4062500 0.4062500 0.0000000), wk = 0.0028818 k( 106) = ( 0.3984375 0.3984375 0.0000000), wk = 0.0028818 k( 107) = ( 0.3906250 0.3906250 0.0000000), wk = 0.0028818 k( 108) = ( 0.3828125 0.3828125 0.0000000), wk = 0.0028818 k( 109) = ( 0.3750000 0.3750000 0.0000000), wk = 0.0028818 k( 110) = ( 0.3671875 0.3671875 0.0000000), wk = 0.0028818 k( 111) = ( 0.3593750 0.3593750 0.0000000), wk = 0.0028818 k( 112) = ( 0.3515625 0.3515625 0.0000000), wk = 0.0028818 k( 113) = ( 0.3437500 0.3437500 0.0000000), wk = 0.0028818 k( 114) = ( 0.3359375 0.3359375 0.0000000), wk = 0.0028818 k( 115) = ( 0.3281250 0.3281250 0.0000000), wk = 0.0028818 k( 116) = ( 0.3203125 0.3203125 0.0000000), wk = 0.0028818 k( 117) = ( 0.3125000 0.3125000 0.0000000), wk = 0.0028818 k( 118) = ( 0.3046875 0.3046875 0.0000000), wk = 0.0028818 k( 119) = ( 0.2968750 0.2968750 0.0000000), wk = 0.0028818 k( 120) = ( 0.2890625 0.2890625 0.0000000), wk = 0.0028818 k( 121) = ( 0.2812500 0.2812500 0.0000000), wk = 0.0028818 k( 122) = ( 0.2734375 0.2734375 0.0000000), wk = 0.0028818 k( 123) = ( 0.2656250 0.2656250 0.0000000), wk = 0.0028818 k( 124) = ( 0.2578125 0.2578125 0.0000000), wk = 0.0028818 k( 125) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0028818 k( 126) = ( 0.2421875 0.2421875 0.0000000), wk = 0.0028818 k( 127) = ( 0.2343750 0.2343750 0.0000000), wk = 0.0028818 k( 128) = ( 0.2265625 0.2265625 0.0000000), wk = 0.0028818 k( 129) = ( 0.2187500 0.2187500 0.0000000), wk = 0.0028818 k( 130) = ( 0.2109375 0.2109375 0.0000000), wk = 0.0028818 k( 131) = ( 0.2031250 0.2031250 0.0000000), wk = 0.0028818 k( 132) = ( 0.1953125 0.1953125 0.0000000), wk = 0.0028818 k( 133) = ( 0.1875000 0.1875000 0.0000000), wk = 0.0028818 k( 134) = ( 0.1796875 0.1796875 0.0000000), wk = 0.0028818 k( 135) = ( 0.1718750 0.1718750 0.0000000), wk = 0.0028818 k( 136) = ( 0.1640625 0.1640625 0.0000000), wk = 0.0028818 k( 137) = ( 0.1562500 0.1562500 0.0000000), wk = 0.0028818 k( 138) = ( 0.1484375 0.1484375 0.0000000), wk = 0.0028818 k( 139) = ( 0.1406250 0.1406250 0.0000000), wk = 0.0028818 k( 140) = ( 0.1328125 0.1328125 0.0000000), wk = 0.0028818 k( 141) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0028818 k( 142) = ( 0.1171875 0.1171875 0.0000000), wk = 0.0028818 k( 143) = ( 0.1093750 0.1093750 0.0000000), wk = 0.0028818 k( 144) = ( 0.1015625 0.1015625 0.0000000), wk = 0.0028818 k( 145) = ( 0.0937500 0.0937500 0.0000000), wk = 0.0028818 k( 146) = ( 0.0859375 0.0859375 0.0000000), wk = 0.0028818 k( 147) = ( 0.0781250 0.0781250 0.0000000), wk = 0.0028818 k( 148) = ( 0.0703125 0.0703125 0.0000000), wk = 0.0028818 k( 149) = ( 0.0625000 0.0625000 0.0000000), wk = 0.0028818 k( 150) = ( 0.0546875 0.0546875 0.0000000), wk = 0.0028818 k( 151) = ( 0.0468750 0.0468750 0.0000000), wk = 0.0028818 k( 152) = ( 0.0390625 0.0390625 0.0000000), wk = 0.0028818 k( 153) = ( 0.0312500 0.0312500 0.0000000), wk = 0.0028818 k( 154) = ( 0.0234375 0.0234375 0.0000000), wk = 0.0028818 k( 155) = ( 0.0156250 0.0156250 0.0000000), wk = 0.0028818 k( 156) = ( 0.0078125 0.0078125 0.0000000), wk = 0.0028818 k( 157) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028818 k( 158) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028818 k( 159) = ( 0.0064103 0.0064103 0.0064103), wk = 0.0028818 k( 160) = ( 0.0128205 0.0128205 0.0128205), wk = 0.0028818 k( 161) = ( 0.0192308 0.0192308 0.0192308), wk = 0.0028818 k( 162) = ( 0.0256410 0.0256410 0.0256410), wk = 0.0028818 k( 163) = ( 0.0320513 0.0320513 0.0320513), wk = 0.0028818 k( 164) = ( 0.0384615 0.0384615 0.0384615), wk = 0.0028818 k( 165) = ( 0.0448718 0.0448718 0.0448718), wk = 0.0028818 k( 166) = ( 0.0512821 0.0512821 0.0512821), wk = 0.0028818 k( 167) = ( 0.0576923 0.0576923 0.0576923), wk = 0.0028818 k( 168) = ( 0.0641026 0.0641026 0.0641026), wk = 0.0028818 k( 169) = ( 0.0705128 0.0705128 0.0705128), wk = 0.0028818 k( 170) = ( 0.0769231 0.0769231 0.0769231), wk = 0.0028818 k( 171) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0028818 k( 172) = ( 0.0897436 0.0897436 0.0897436), wk = 0.0028818 k( 173) = ( 0.0961538 0.0961538 0.0961538), wk = 0.0028818 k( 174) = ( 0.1025641 0.1025641 0.1025641), wk = 0.0028818 k( 175) = ( 0.1089744 0.1089744 0.1089744), wk = 0.0028818 k( 176) = ( 0.1153846 0.1153846 0.1153846), wk = 0.0028818 k( 177) = ( 0.1217949 0.1217949 0.1217949), wk = 0.0028818 k( 178) = ( 0.1282051 0.1282051 0.1282051), wk = 0.0028818 k( 179) = ( 0.1346154 0.1346154 0.1346154), wk = 0.0028818 k( 180) = ( 0.1410256 0.1410256 0.1410256), wk = 0.0028818 k( 181) = ( 0.1474359 0.1474359 0.1474359), wk = 0.0028818 k( 182) = ( 0.1538461 0.1538461 0.1538461), wk = 0.0028818 k( 183) = ( 0.1602564 0.1602564 0.1602564), wk = 0.0028818 k( 184) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0028818 k( 185) = ( 0.1730769 0.1730769 0.1730769), wk = 0.0028818 k( 186) = ( 0.1794872 0.1794872 0.1794872), wk = 0.0028818 k( 187) = ( 0.1858974 0.1858974 0.1858974), wk = 0.0028818 k( 188) = ( 0.1923077 0.1923077 0.1923077), wk = 0.0028818 k( 189) = ( 0.1987180 0.1987180 0.1987180), wk = 0.0028818 k( 190) = ( 0.2051282 0.2051282 0.2051282), wk = 0.0028818 k( 191) = ( 0.2115385 0.2115385 0.2115385), wk = 0.0028818 k( 192) = ( 0.2179487 0.2179487 0.2179487), wk = 0.0028818 k( 193) = ( 0.2243590 0.2243590 0.2243590), wk = 0.0028818 k( 194) = ( 0.2307692 0.2307692 0.2307692), wk = 0.0028818 k( 195) = ( 0.2371795 0.2371795 0.2371795), wk = 0.0028818 k( 196) = ( 0.2435897 0.2435897 0.2435897), wk = 0.0028818 k( 197) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028818 k( 198) = ( 0.2564103 0.2564103 0.2564103), wk = 0.0028818 k( 199) = ( 0.2628205 0.2628205 0.2628205), wk = 0.0028818 k( 200) = ( 0.2692308 0.2692308 0.2692308), wk = 0.0028818 k( 201) = ( 0.2756410 0.2756410 0.2756410), wk = 0.0028818 k( 202) = ( 0.2820513 0.2820513 0.2820513), wk = 0.0028818 k( 203) = ( 0.2884615 0.2884615 0.2884615), wk = 0.0028818 k( 204) = ( 0.2948718 0.2948718 0.2948718), wk = 0.0028818 k( 205) = ( 0.3012821 0.3012821 0.3012821), wk = 0.0028818 k( 206) = ( 0.3076923 0.3076923 0.3076923), wk = 0.0028818 k( 207) = ( 0.3141026 0.3141026 0.3141026), wk = 0.0028818 k( 208) = ( 0.3205128 0.3205128 0.3205128), wk = 0.0028818 k( 209) = ( 0.3269231 0.3269231 0.3269231), wk = 0.0028818 k( 210) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0028818 k( 211) = ( 0.3397436 0.3397436 0.3397436), wk = 0.0028818 k( 212) = ( 0.3461538 0.3461538 0.3461538), wk = 0.0028818 k( 213) = ( 0.3525641 0.3525641 0.3525641), wk = 0.0028818 k( 214) = ( 0.3589744 0.3589744 0.3589744), wk = 0.0028818 k( 215) = ( 0.3653846 0.3653846 0.3653846), wk = 0.0028818 k( 216) = ( 0.3717949 0.3717949 0.3717949), wk = 0.0028818 k( 217) = ( 0.3782051 0.3782051 0.3782051), wk = 0.0028818 k( 218) = ( 0.3846154 0.3846154 0.3846154), wk = 0.0028818 k( 219) = ( 0.3910256 0.3910256 0.3910256), wk = 0.0028818 k( 220) = ( 0.3974359 0.3974359 0.3974359), wk = 0.0028818 k( 221) = ( 0.4038462 0.4038462 0.4038462), wk = 0.0028818 k( 222) = ( 0.4102564 0.4102564 0.4102564), wk = 0.0028818 k( 223) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0028818 k( 224) = ( 0.4230769 0.4230769 0.4230769), wk = 0.0028818 k( 225) = ( 0.4294872 0.4294872 0.4294872), wk = 0.0028818 k( 226) = ( 0.4358974 0.4358974 0.4358974), wk = 0.0028818 k( 227) = ( 0.4423077 0.4423077 0.4423077), wk = 0.0028818 k( 228) = ( 0.4487179 0.4487179 0.4487179), wk = 0.0028818 k( 229) = ( 0.4551282 0.4551282 0.4551282), wk = 0.0028818 k( 230) = ( 0.4615385 0.4615385 0.4615385), wk = 0.0028818 k( 231) = ( 0.4679487 0.4679487 0.4679487), wk = 0.0028818 k( 232) = ( 0.4743590 0.4743590 0.4743590), wk = 0.0028818 k( 233) = ( 0.4807692 0.4807692 0.4807692), wk = 0.0028818 k( 234) = ( 0.4871795 0.4871795 0.4871795), wk = 0.0028818 k( 235) = ( 0.4935897 0.4935897 0.4935897), wk = 0.0028818 k( 236) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028818 k( 237) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028818 k( 238) = ( 0.4921875 0.5000000 0.4921875), wk = 0.0028818 k( 239) = ( 0.4843750 0.5000000 0.4843750), wk = 0.0028818 k( 240) = ( 0.4765625 0.5000000 0.4765625), wk = 0.0028818 k( 241) = ( 0.4687500 0.5000000 0.4687500), wk = 0.0028818 k( 242) = ( 0.4609375 0.5000000 0.4609375), wk = 0.0028818 k( 243) = ( 0.4531250 0.5000000 0.4531250), wk = 0.0028818 k( 244) = ( 0.4453125 0.5000000 0.4453125), wk = 0.0028818 k( 245) = ( 0.4375000 0.5000000 0.4375000), wk = 0.0028818 k( 246) = ( 0.4296875 0.5000000 0.4296875), wk = 0.0028818 k( 247) = ( 0.4218750 0.5000000 0.4218750), wk = 0.0028818 k( 248) = ( 0.4140625 0.5000000 0.4140625), wk = 0.0028818 k( 249) = ( 0.4062500 0.5000000 0.4062500), wk = 0.0028818 k( 250) = ( 0.3984375 0.5000000 0.3984375), wk = 0.0028818 k( 251) = ( 0.3906250 0.5000000 0.3906250), wk = 0.0028818 k( 252) = ( 0.3828125 0.5000000 0.3828125), wk = 0.0028818 k( 253) = ( 0.3750000 0.5000000 0.3750000), wk = 0.0028818 k( 254) = ( 0.3671875 0.5000000 0.3671875), wk = 0.0028818 k( 255) = ( 0.3593750 0.5000000 0.3593750), wk = 0.0028818 k( 256) = ( 0.3515625 0.5000000 0.3515625), wk = 0.0028818 k( 257) = ( 0.3437500 0.5000000 0.3437500), wk = 0.0028818 k( 258) = ( 0.3359375 0.5000000 0.3359375), wk = 0.0028818 k( 259) = ( 0.3281250 0.5000000 0.3281250), wk = 0.0028818 k( 260) = ( 0.3203125 0.5000000 0.3203125), wk = 0.0028818 k( 261) = ( 0.3125000 0.5000000 0.3125000), wk = 0.0028818 k( 262) = ( 0.3046875 0.5000000 0.3046875), wk = 0.0028818 k( 263) = ( 0.2968750 0.5000000 0.2968750), wk = 0.0028818 k( 264) = ( 0.2890625 0.5000000 0.2890625), wk = 0.0028818 k( 265) = ( 0.2812500 0.5000000 0.2812500), wk = 0.0028818 k( 266) = ( 0.2734375 0.5000000 0.2734375), wk = 0.0028818 k( 267) = ( 0.2656250 0.5000000 0.2656250), wk = 0.0028818 k( 268) = ( 0.2578125 0.5000000 0.2578125), wk = 0.0028818 k( 269) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0028818 k( 270) = ( 0.2421875 0.5000000 0.2421875), wk = 0.0028818 k( 271) = ( 0.2343750 0.5000000 0.2343750), wk = 0.0028818 k( 272) = ( 0.2265625 0.5000000 0.2265625), wk = 0.0028818 k( 273) = ( 0.2187500 0.5000000 0.2187500), wk = 0.0028818 k( 274) = ( 0.2109375 0.5000000 0.2109375), wk = 0.0028818 k( 275) = ( 0.2031250 0.5000000 0.2031250), wk = 0.0028818 k( 276) = ( 0.1953125 0.5000000 0.1953125), wk = 0.0028818 k( 277) = ( 0.1875000 0.5000000 0.1875000), wk = 0.0028818 k( 278) = ( 0.1796875 0.5000000 0.1796875), wk = 0.0028818 k( 279) = ( 0.1718750 0.5000000 0.1718750), wk = 0.0028818 k( 280) = ( 0.1640625 0.5000000 0.1640625), wk = 0.0028818 k( 281) = ( 0.1562500 0.5000000 0.1562500), wk = 0.0028818 k( 282) = ( 0.1484375 0.5000000 0.1484375), wk = 0.0028818 k( 283) = ( 0.1406250 0.5000000 0.1406250), wk = 0.0028818 k( 284) = ( 0.1328125 0.5000000 0.1328125), wk = 0.0028818 k( 285) = ( 0.1250000 0.5000000 0.1250000), wk = 0.0028818 k( 286) = ( 0.1171875 0.5000000 0.1171875), wk = 0.0028818 k( 287) = ( 0.1093750 0.5000000 0.1093750), wk = 0.0028818 k( 288) = ( 0.1015625 0.5000000 0.1015625), wk = 0.0028818 k( 289) = ( 0.0937500 0.5000000 0.0937500), wk = 0.0028818 k( 290) = ( 0.0859375 0.5000000 0.0859375), wk = 0.0028818 k( 291) = ( 0.0781250 0.5000000 0.0781250), wk = 0.0028818 k( 292) = ( 0.0703125 0.5000000 0.0703125), wk = 0.0028818 k( 293) = ( 0.0625000 0.5000000 0.0625000), wk = 0.0028818 k( 294) = ( 0.0546875 0.5000000 0.0546875), wk = 0.0028818 k( 295) = ( 0.0468750 0.5000000 0.0468750), wk = 0.0028818 k( 296) = ( 0.0390625 0.5000000 0.0390625), wk = 0.0028818 k( 297) = ( 0.0312500 0.5000000 0.0312500), wk = 0.0028818 k( 298) = ( 0.0234375 0.5000000 0.0234375), wk = 0.0028818 k( 299) = ( 0.0156250 0.5000000 0.0156250), wk = 0.0028818 k( 300) = ( 0.0078125 0.5000000 0.0078125), wk = 0.0028818 k( 301) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028818 k( 302) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0028818 k( 303) = ( 0.5000000 0.5000000 0.0111111), wk = 0.0028818 k( 304) = ( 0.5000000 0.5000000 0.0222222), wk = 0.0028818 k( 305) = ( 0.5000000 0.5000000 0.0333333), wk = 0.0028818 k( 306) = ( 0.5000000 0.5000000 0.0444444), wk = 0.0028818 k( 307) = ( 0.5000000 0.5000000 0.0555556), wk = 0.0028818 k( 308) = ( 0.5000000 0.5000000 0.0666667), wk = 0.0028818 k( 309) = ( 0.5000000 0.5000000 0.0777778), wk = 0.0028818 k( 310) = ( 0.5000000 0.5000000 0.0888889), wk = 0.0028818 k( 311) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0028818 k( 312) = ( 0.5000000 0.5000000 0.1111111), wk = 0.0028818 k( 313) = ( 0.5000000 0.5000000 0.1222222), wk = 0.0028818 k( 314) = ( 0.5000000 0.5000000 0.1333333), wk = 0.0028818 k( 315) = ( 0.5000000 0.5000000 0.1444444), wk = 0.0028818 k( 316) = ( 0.5000000 0.5000000 0.1555556), wk = 0.0028818 k( 317) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0028818 k( 318) = ( 0.5000000 0.5000000 0.1777778), wk = 0.0028818 k( 319) = ( 0.5000000 0.5000000 0.1888889), wk = 0.0028818 k( 320) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0028818 k( 321) = ( 0.5000000 0.5000000 0.2111111), wk = 0.0028818 k( 322) = ( 0.5000000 0.5000000 0.2222222), wk = 0.0028818 k( 323) = ( 0.5000000 0.5000000 0.2333333), wk = 0.0028818 k( 324) = ( 0.5000000 0.5000000 0.2444444), wk = 0.0028818 k( 325) = ( 0.5000000 0.5000000 0.2555556), wk = 0.0028818 k( 326) = ( 0.5000000 0.5000000 0.2666667), wk = 0.0028818 k( 327) = ( 0.5000000 0.5000000 0.2777778), wk = 0.0028818 k( 328) = ( 0.5000000 0.5000000 0.2888889), wk = 0.0028818 k( 329) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0028818 k( 330) = ( 0.5000000 0.5000000 0.3111111), wk = 0.0028818 k( 331) = ( 0.5000000 0.5000000 0.3222222), wk = 0.0028818 k( 332) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0028818 k( 333) = ( 0.5000000 0.5000000 0.3444444), wk = 0.0028818 k( 334) = ( 0.5000000 0.5000000 0.3555556), wk = 0.0028818 k( 335) = ( 0.5000000 0.5000000 0.3666667), wk = 0.0028818 k( 336) = ( 0.5000000 0.5000000 0.3777778), wk = 0.0028818 k( 337) = ( 0.5000000 0.5000000 0.3888889), wk = 0.0028818 k( 338) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0028818 k( 339) = ( 0.5000000 0.5000000 0.4111111), wk = 0.0028818 k( 340) = ( 0.5000000 0.5000000 0.4222222), wk = 0.0028818 k( 341) = ( 0.5000000 0.5000000 0.4333333), wk = 0.0028818 k( 342) = ( 0.5000000 0.5000000 0.4444444), wk = 0.0028818 k( 343) = ( 0.5000000 0.5000000 0.4555556), wk = 0.0028818 k( 344) = ( 0.5000000 0.5000000 0.4666667), wk = 0.0028818 k( 345) = ( 0.5000000 0.5000000 0.4777778), wk = 0.0028818 k( 346) = ( 0.5000000 0.5000000 0.4888889), wk = 0.0028818 k( 347) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028818 Dense grid: 62933 G-vectors FFT dimensions: ( 50, 50, 50) Smooth grid: 17845 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.07 Mb ( 132, 36) NL pseudopotentials 0.07 Mb ( 66, 68) Each V/rho on FFT grid 0.08 Mb ( 5000) Each G-vector array 0.01 Mb ( 1749) G-vector shells 0.00 Mb ( 389) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.29 Mb ( 132, 144) Each subspace H/S matrix 0.02 Mb ( 36, 36) Each matrix 0.07 Mb ( 68, 2, 36) The potential is recalculated from file : ./CaPd.save/charge-density.dat Starting wfc are 36 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.5 secs Computing kpt #: 2 total cpu time spent up to now is 3.7 secs Computing kpt #: 3 total cpu time spent up to now is 3.9 secs Computing kpt #: 4 total cpu time spent up to now is 4.1 secs Computing kpt #: 5 total cpu time spent up to now is 4.3 secs Computing kpt #: 6 total cpu time spent up to now is 4.5 secs Computing kpt #: 7 total cpu time spent up to now is 4.7 secs Computing kpt #: 8 total cpu time spent up to now is 4.9 secs Computing kpt #: 9 total cpu time spent up to now is 5.0 secs Computing kpt #: 10 total cpu time spent up to now is 5.2 secs Computing kpt #: 11 total cpu time spent up to now is 5.4 secs Computing kpt #: 12 total cpu time spent up to now is 5.6 secs Computing kpt #: 13 total cpu time spent up to now is 5.8 secs Computing kpt #: 14 total cpu time spent up to now is 6.0 secs Computing kpt #: 15 total cpu time spent up to now is 6.2 secs Computing kpt #: 16 total cpu time spent up to now is 6.3 secs Computing kpt #: 17 total cpu time spent up to now is 6.5 secs Computing kpt #: 18 total cpu time spent up to now is 6.7 secs Computing kpt #: 19 total cpu time spent up to now is 6.9 secs Computing kpt #: 20 total cpu time spent up to now is 7.1 secs Computing kpt #: 21 total cpu time spent up to now is 7.3 secs Computing kpt #: 22 total cpu time spent up to now is 7.4 secs Computing kpt #: 23 total cpu time spent up to now is 7.6 secs Computing kpt #: 24 total cpu time spent up to now is 7.8 secs Computing kpt #: 25 total cpu time spent up to now is 8.0 secs Computing kpt #: 26 total cpu time spent up to now is 8.2 secs Computing kpt #: 27 total cpu time spent up to now is 8.4 secs Computing kpt #: 28 total cpu time spent up to now is 8.6 secs Computing kpt #: 29 total cpu time spent up to now is 8.8 secs Computing kpt #: 30 total cpu time spent up to now is 8.9 secs Computing kpt #: 31 total cpu time spent up to now is 9.1 secs Computing kpt #: 32 total cpu time spent up to now is 9.3 secs Computing kpt #: 33 total cpu time spent up to now is 9.5 secs Computing kpt #: 34 total cpu time spent up to now is 9.7 secs Computing kpt #: 35 total cpu time spent up to now is 9.9 secs Computing kpt #: 36 total cpu time spent up to now is 10.1 secs Computing kpt #: 37 total cpu time spent up to now is 10.2 secs Computing kpt #: 38 total cpu time spent up to now is 10.4 secs Computing kpt #: 39 total cpu time spent up to now is 10.6 secs Computing kpt #: 40 total cpu time spent up to now is 10.8 secs Computing kpt #: 41 total cpu time spent up to now is 11.0 secs Computing kpt #: 42 total cpu time spent up to now is 11.2 secs Computing kpt #: 43 total cpu time spent up to now is 11.4 secs Computing kpt #: 44 total cpu time spent up to now is 11.6 secs Computing kpt #: 45 total cpu time spent up to now is 11.8 secs Computing kpt #: 46 total cpu time spent up to now is 12.0 secs Computing kpt #: 47 total cpu time spent up to now is 12.2 secs Computing kpt #: 48 total cpu time spent up to now is 12.3 secs Computing kpt #: 49 total cpu time spent up to now is 12.5 secs Computing kpt #: 50 total cpu time spent up to now is 12.7 secs Computing kpt #: 51 total cpu time spent up to now is 12.9 secs Computing kpt #: 52 total cpu time spent up to now is 13.1 secs Computing kpt #: 53 total cpu time spent up to now is 13.3 secs Computing kpt #: 54 total cpu time spent up to now is 13.5 secs Computing kpt #: 55 total cpu time spent up to now is 13.7 secs Computing kpt #: 56 total cpu time spent up to now is 13.8 secs Computing kpt #: 57 total cpu time spent up to now is 14.0 secs Computing kpt #: 58 total cpu time spent up to now is 14.2 secs Computing kpt #: 59 total cpu time spent up to now is 14.4 secs Computing kpt #: 60 total cpu time spent up to now is 14.6 secs Computing kpt #: 61 total cpu time spent up to now is 14.8 secs Computing kpt #: 62 total cpu time spent up to now is 15.0 secs Computing kpt #: 63 total cpu time spent up to now is 15.1 secs Computing kpt #: 64 total cpu time spent up to now is 15.3 secs Computing kpt #: 65 total cpu time spent up to now is 15.5 secs Computing kpt #: 66 total cpu time spent up to now is 15.7 secs Computing kpt #: 67 total cpu time spent up to now is 15.9 secs Computing kpt #: 68 total cpu time spent up to now is 16.1 secs Computing kpt #: 69 total cpu time spent up to now is 16.3 secs Computing kpt #: 70 total cpu time spent up to now is 16.4 secs Computing kpt #: 71 total cpu time spent up to now is 16.6 secs Computing kpt #: 72 total cpu time spent up to now is 16.8 secs Computing kpt #: 73 total cpu time spent up to now is 17.0 secs Computing kpt #: 74 total cpu time spent up to now is 17.2 secs Computing kpt #: 75 total cpu time spent up to now is 17.4 secs Computing kpt #: 76 total cpu time spent up to now is 17.6 secs Computing kpt #: 77 total cpu time spent up to now is 17.8 secs Computing kpt #: 78 total cpu time spent up to now is 17.9 secs Computing kpt #: 79 total cpu time spent up to now is 18.1 secs Computing kpt #: 80 total cpu time spent up to now is 18.3 secs Computing kpt #: 81 total cpu time spent up to now is 18.5 secs Computing kpt #: 82 total cpu time spent up to now is 18.7 secs Computing kpt #: 83 total cpu time spent up to now is 18.9 secs Computing kpt #: 84 total cpu time spent up to now is 19.1 secs Computing kpt #: 85 total cpu time spent up to now is 19.3 secs Computing kpt #: 86 total cpu time spent up to now is 19.5 secs Computing kpt #: 87 total cpu time spent up to now is 19.7 secs Computing kpt #: 88 total cpu time spent up to now is 19.9 secs Computing kpt #: 89 total cpu time spent up to now is 20.1 secs Computing kpt #: 90 total cpu time spent up to now is 20.3 secs Computing kpt #: 91 total cpu time spent up to now is 20.5 secs Computing kpt #: 92 total cpu time spent up to now is 20.7 secs Computing kpt #: 93 total cpu time spent up to now is 20.9 secs Computing kpt #: 94 total cpu time spent up to now is 21.1 secs Computing kpt #: 95 total cpu time spent up to now is 21.3 secs Computing kpt #: 96 total cpu time spent up to now is 21.5 secs Computing kpt #: 97 total cpu time spent up to now is 21.7 secs Computing kpt #: 98 total cpu time spent up to now is 21.9 secs Computing kpt #: 99 total cpu time spent up to now is 22.1 secs Computing kpt #: 100 total cpu time spent up to now is 22.2 secs Computing kpt #: 101 total cpu time spent up to now is 22.5 secs Computing kpt #: 102 total cpu time spent up to now is 22.6 secs Computing kpt #: 103 total cpu time spent up to now is 22.8 secs Computing kpt #: 104 total cpu time spent up to now is 23.0 secs Computing kpt #: 105 total cpu time spent up to now is 23.2 secs Computing kpt #: 106 total cpu time spent up to now is 23.4 secs Computing kpt #: 107 total cpu time spent up to now is 23.6 secs Computing kpt #: 108 total cpu time spent up to now is 23.8 secs Computing kpt #: 109 total cpu time spent up to now is 24.0 secs Computing kpt #: 110 total cpu time spent up to now is 24.2 secs Computing kpt #: 111 total cpu time spent up to now is 24.3 secs Computing kpt #: 112 total cpu time spent up to now is 24.5 secs Computing kpt #: 113 total cpu time spent up to now is 24.7 secs Computing kpt #: 114 total cpu time spent up to now is 24.9 secs Computing kpt #: 115 total cpu time spent up to now is 25.1 secs Computing kpt #: 116 total cpu time spent up to now is 25.3 secs Computing kpt #: 117 total cpu time spent up to now is 25.5 secs Computing kpt #: 118 total cpu time spent up to now is 25.6 secs Computing kpt #: 119 total cpu time spent up to now is 25.8 secs Computing kpt #: 120 total cpu time spent up to now is 26.0 secs Computing kpt #: 121 total cpu time spent up to now is 26.2 secs Computing kpt #: 122 total cpu time spent up to now is 26.4 secs Computing kpt #: 123 total cpu time spent up to now is 26.6 secs Computing kpt #: 124 total cpu time spent up to now is 26.8 secs Computing kpt #: 125 total cpu time spent up to now is 27.0 secs Computing kpt #: 126 total cpu time spent up to now is 27.2 secs Computing kpt #: 127 total cpu time spent up to now is 27.4 secs Computing kpt #: 128 total cpu time spent up to now is 27.6 secs Computing kpt #: 129 total cpu time spent up to now is 27.7 secs Computing kpt #: 130 total cpu time spent up to now is 27.9 secs Computing kpt #: 131 total cpu time spent up to now is 28.1 secs Computing kpt #: 132 total cpu time spent up to now is 28.3 secs Computing kpt #: 133 total cpu time spent up to now is 28.5 secs Computing kpt #: 134 total cpu time spent up to now is 28.7 secs Computing kpt #: 135 total cpu time spent up to now is 28.8 secs Computing kpt #: 136 total cpu time spent up to now is 29.0 secs Computing kpt #: 137 total cpu time spent up to now is 29.2 secs Computing kpt #: 138 total cpu time spent up to now is 29.4 secs Computing kpt #: 139 total cpu time spent up to now is 29.5 secs Computing kpt #: 140 total cpu time spent up to now is 29.7 secs Computing kpt #: 141 total cpu time spent up to now is 29.9 secs Computing kpt #: 142 total cpu time spent up to now is 30.1 secs Computing kpt #: 143 total cpu time spent up to now is 30.3 secs Computing kpt #: 144 total cpu time spent up to now is 30.4 secs Computing kpt #: 145 total cpu time spent up to now is 30.6 secs Computing kpt #: 146 total cpu time spent up to now is 30.8 secs Computing kpt #: 147 total cpu time spent up to now is 31.0 secs Computing kpt #: 148 total cpu time spent up to now is 31.2 secs Computing kpt #: 149 total cpu time spent up to now is 31.4 secs Computing kpt #: 150 total cpu time spent up to now is 31.6 secs Computing kpt #: 151 total cpu time spent up to now is 31.8 secs Computing kpt #: 152 total cpu time spent up to now is 32.0 secs Computing kpt #: 153 total cpu time spent up to now is 32.2 secs Computing kpt #: 154 total cpu time spent up to now is 32.4 secs Computing kpt #: 155 total cpu time spent up to now is 32.6 secs Computing kpt #: 156 total cpu time spent up to now is 32.8 secs Computing kpt #: 157 total cpu time spent up to now is 33.0 secs Computing kpt #: 158 total cpu time spent up to now is 33.2 secs Computing kpt #: 159 total cpu time spent up to now is 33.4 secs Computing kpt #: 160 total cpu time spent up to now is 33.6 secs Computing kpt #: 161 total cpu time spent up to now is 33.8 secs Computing kpt #: 162 total cpu time spent up to now is 34.0 secs Computing kpt #: 163 total cpu time spent up to now is 34.2 secs Computing kpt #: 164 total cpu time spent up to now is 34.4 secs Computing kpt #: 165 total cpu time spent up to now is 34.6 secs Computing kpt #: 166 total cpu time spent up to now is 34.8 secs Computing kpt #: 167 total cpu time spent up to now is 35.0 secs Computing kpt #: 168 total cpu time spent up to now is 35.2 secs Computing kpt #: 169 total cpu time spent up to now is 38.6 secs Computing kpt #: 170 total cpu time spent up to now is 38.8 secs Computing kpt #: 171 total cpu time spent up to now is 39.0 secs Computing kpt #: 172 total cpu time spent up to now is 39.2 secs Computing kpt #: 173 total cpu time spent up to now is 39.4 secs Computing kpt #: 174 total cpu time spent up to now is 39.6 secs Computing kpt #: 175 total cpu time spent up to now is 39.8 secs Computing kpt #: 176 total cpu time spent up to now is 40.0 secs Computing kpt #: 177 total cpu time spent up to now is 40.2 secs Computing kpt #: 178 total cpu time spent up to now is 40.4 secs Computing kpt #: 179 total cpu time spent up to now is 40.6 secs Computing kpt #: 180 total cpu time spent up to now is 40.8 secs Computing kpt #: 181 total cpu time spent up to now is 41.0 secs Computing kpt #: 182 total cpu time spent up to now is 41.2 secs Computing kpt #: 183 total cpu time spent up to now is 41.4 secs Computing kpt #: 184 total cpu time spent up to now is 41.6 secs Computing kpt #: 185 total cpu time spent up to now is 41.8 secs Computing kpt #: 186 total cpu time spent up to now is 41.9 secs Computing kpt #: 187 total cpu time spent up to now is 42.1 secs Computing kpt #: 188 total cpu time spent up to now is 42.3 secs Computing kpt #: 189 total cpu time spent up to now is 42.5 secs Computing kpt #: 190 total cpu time spent up to now is 42.8 secs Computing kpt #: 191 total cpu time spent up to now is 43.0 secs Computing kpt #: 192 total cpu time spent up to now is 43.2 secs Computing kpt #: 193 total cpu time spent up to now is 43.4 secs Computing kpt #: 194 total cpu time spent up to now is 43.6 secs Computing kpt #: 195 total cpu time spent up to now is 43.8 secs Computing kpt #: 196 total cpu time spent up to now is 44.0 secs Computing kpt #: 197 total cpu time spent up to now is 44.2 secs Computing kpt #: 198 total cpu time spent up to now is 44.4 secs Computing kpt #: 199 total cpu time spent up to now is 44.6 secs Computing kpt #: 200 total cpu time spent up to now is 44.8 secs Computing kpt #: 201 total cpu time spent up to now is 45.0 secs Computing kpt #: 202 total cpu time spent up to now is 45.2 secs Computing kpt #: 203 total cpu time spent up to now is 45.5 secs Computing kpt #: 204 total cpu time spent up to now is 45.7 secs Computing kpt #: 205 total cpu time spent up to now is 45.9 secs Computing kpt #: 206 total cpu time spent up to now is 46.1 secs Computing kpt #: 207 total cpu time spent up to now is 46.3 secs Computing kpt #: 208 total cpu time spent up to now is 46.5 secs Computing kpt #: 209 total cpu time spent up to now is 46.7 secs Computing kpt #: 210 total cpu time spent up to now is 46.9 secs Computing kpt #: 211 total cpu time spent up to now is 47.1 secs Computing kpt #: 212 total cpu time spent up to now is 47.3 secs Computing kpt #: 213 total cpu time spent up to now is 47.5 secs Computing kpt #: 214 total cpu time spent up to now is 47.7 secs Computing kpt #: 215 total cpu time spent up to now is 47.9 secs Computing kpt #: 216 total cpu time spent up to now is 48.2 secs Computing kpt #: 217 total cpu time spent up to now is 48.4 secs Computing kpt #: 218 total cpu time spent up to now is 48.6 secs Computing kpt #: 219 total cpu time spent up to now is 48.9 secs Computing kpt #: 220 total cpu time spent up to now is 49.1 secs Computing kpt #: 221 total cpu time spent up to now is 49.3 secs Computing kpt #: 222 total cpu time spent up to now is 49.8 secs Computing kpt #: 223 total cpu time spent up to now is 50.2 secs Computing kpt #: 224 total cpu time spent up to now is 50.5 secs Computing kpt #: 225 total cpu time spent up to now is 50.9 secs Computing kpt #: 226 total cpu time spent up to now is 51.2 secs Computing kpt #: 227 total cpu time spent up to now is 51.7 secs Computing kpt #: 228 total cpu time spent up to now is 52.1 secs Computing kpt #: 229 total cpu time spent up to now is 52.4 secs Computing kpt #: 230 total cpu time spent up to now is 52.7 secs Computing kpt #: 231 total cpu time spent up to now is 52.9 secs Computing kpt #: 232 total cpu time spent up to now is 53.1 secs Computing kpt #: 233 total cpu time spent up to now is 53.4 secs Computing kpt #: 234 total cpu time spent up to now is 53.6 secs Computing kpt #: 235 total cpu time spent up to now is 53.8 secs Computing kpt #: 236 total cpu time spent up to now is 54.0 secs Computing kpt #: 237 total cpu time spent up to now is 54.3 secs Computing kpt #: 238 total cpu time spent up to now is 54.6 secs Computing kpt #: 239 total cpu time spent up to now is 54.9 secs Computing kpt #: 240 total cpu time spent up to now is 55.1 secs Computing kpt #: 241 total cpu time spent up to now is 55.4 secs Computing kpt #: 242 total cpu time spent up to now is 55.6 secs Computing kpt #: 243 total cpu time spent up to now is 55.8 secs Computing kpt #: 244 total cpu time spent up to now is 56.0 secs Computing kpt #: 245 total cpu time spent up to now is 56.2 secs Computing kpt #: 246 total cpu time spent up to now is 56.4 secs Computing kpt #: 247 total cpu time spent up to now is 56.6 secs Computing kpt #: 248 total cpu time spent up to now is 56.8 secs Computing kpt #: 249 total cpu time spent up to now is 57.0 secs Computing kpt #: 250 total cpu time spent up to now is 57.2 secs Computing kpt #: 251 total cpu time spent up to now is 57.3 secs Computing kpt #: 252 total cpu time spent up to now is 57.6 secs Computing kpt #: 253 total cpu time spent up to now is 57.8 secs Computing kpt #: 254 total cpu time spent up to now is 58.0 secs Computing kpt #: 255 total cpu time spent up to now is 58.2 secs Computing kpt #: 256 total cpu time spent up to now is 58.4 secs Computing kpt #: 257 total cpu time spent up to now is 58.6 secs Computing kpt #: 258 total cpu time spent up to now is 58.8 secs Computing kpt #: 259 total cpu time spent up to now is 59.0 secs Computing kpt #: 260 total cpu time spent up to now is 59.2 secs Computing kpt #: 261 total cpu time spent up to now is 59.4 secs Computing kpt #: 262 total cpu time spent up to now is 59.6 secs Computing kpt #: 263 total cpu time spent up to now is 59.8 secs Computing kpt #: 264 total cpu time spent up to now is 60.0 secs Computing kpt #: 265 total cpu time spent up to now is 60.2 secs Computing kpt #: 266 total cpu time spent up to now is 60.4 secs Computing kpt #: 267 total cpu time spent up to now is 60.6 secs Computing kpt #: 268 total cpu time spent up to now is 60.8 secs Computing kpt #: 269 total cpu time spent up to now is 61.0 secs Computing kpt #: 270 total cpu time spent up to now is 61.1 secs Computing kpt #: 271 total cpu time spent up to now is 61.3 secs Computing kpt #: 272 total cpu time spent up to now is 61.5 secs Computing kpt #: 273 total cpu time spent up to now is 61.7 secs Computing kpt #: 274 total cpu time spent up to now is 61.9 secs Computing kpt #: 275 total cpu time spent up to now is 62.1 secs Computing kpt #: 276 total cpu time spent up to now is 62.3 secs Computing kpt #: 277 total cpu time spent up to now is 62.5 secs Computing kpt #: 278 total cpu time spent up to now is 62.6 secs Computing kpt #: 279 total cpu time spent up to now is 62.8 secs Computing kpt #: 280 total cpu time spent up to now is 63.0 secs Computing kpt #: 281 total cpu time spent up to now is 63.2 secs Computing kpt #: 282 total cpu time spent up to now is 63.4 secs Computing kpt #: 283 total cpu time spent up to now is 63.5 secs Computing kpt #: 284 total cpu time spent up to now is 63.7 secs Computing kpt #: 285 total cpu time spent up to now is 63.9 secs Computing kpt #: 286 total cpu time spent up to now is 64.1 secs Computing kpt #: 287 total cpu time spent up to now is 64.3 secs Computing kpt #: 288 total cpu time spent up to now is 64.5 secs Computing kpt #: 289 total cpu time spent up to now is 64.7 secs Computing kpt #: 290 total cpu time spent up to now is 64.9 secs Computing kpt #: 291 total cpu time spent up to now is 65.1 secs Computing kpt #: 292 total cpu time spent up to now is 65.2 secs Computing kpt #: 293 total cpu time spent up to now is 65.4 secs Computing kpt #: 294 total cpu time spent up to now is 65.6 secs Computing kpt #: 295 total cpu time spent up to now is 65.8 secs Computing kpt #: 296 total cpu time spent up to now is 66.0 secs Computing kpt #: 297 total cpu time spent up to now is 66.2 secs Computing kpt #: 298 total cpu time spent up to now is 66.4 secs Computing kpt #: 299 total cpu time spent up to now is 66.6 secs Computing kpt #: 300 total cpu time spent up to now is 66.8 secs Computing kpt #: 301 total cpu time spent up to now is 67.0 secs Computing kpt #: 302 total cpu time spent up to now is 67.2 secs Computing kpt #: 303 total cpu time spent up to now is 67.4 secs Computing kpt #: 304 total cpu time spent up to now is 67.6 secs Computing kpt #: 305 total cpu time spent up to now is 67.8 secs Computing kpt #: 306 total cpu time spent up to now is 68.0 secs Computing kpt #: 307 total cpu time spent up to now is 68.2 secs Computing kpt #: 308 total cpu time spent up to now is 68.4 secs Computing kpt #: 309 total cpu time spent up to now is 68.5 secs Computing kpt #: 310 total cpu time spent up to now is 68.7 secs Computing kpt #: 311 total cpu time spent up to now is 68.9 secs Computing kpt #: 312 total cpu time spent up to now is 69.1 secs Computing kpt #: 313 total cpu time spent up to now is 69.3 secs Computing kpt #: 314 total cpu time spent up to now is 69.5 secs Computing kpt #: 315 total cpu time spent up to now is 69.7 secs Computing kpt #: 316 total cpu time spent up to now is 69.9 secs Computing kpt #: 317 total cpu time spent up to now is 70.1 secs Computing kpt #: 318 total cpu time spent up to now is 70.3 secs Computing kpt #: 319 total cpu time spent up to now is 70.5 secs Computing kpt #: 320 total cpu time spent up to now is 70.7 secs Computing kpt #: 321 total cpu time spent up to now is 70.9 secs Computing kpt #: 322 total cpu time spent up to now is 71.1 secs Computing kpt #: 323 total cpu time spent up to now is 71.3 secs Computing kpt #: 324 total cpu time spent up to now is 71.5 secs Computing kpt #: 325 total cpu time spent up to now is 71.7 secs Computing kpt #: 326 total cpu time spent up to now is 71.9 secs Computing kpt #: 327 total cpu time spent up to now is 72.2 secs Computing kpt #: 328 total cpu time spent up to now is 72.4 secs Computing kpt #: 329 total cpu time spent up to now is 72.6 secs Computing kpt #: 330 total cpu time spent up to now is 72.8 secs Computing kpt #: 331 total cpu time spent up to now is 73.0 secs Computing kpt #: 332 total cpu time spent up to now is 73.2 secs Computing kpt #: 333 total cpu time spent up to now is 73.4 secs Computing kpt #: 334 total cpu time spent up to now is 73.5 secs Computing kpt #: 335 total cpu time spent up to now is 73.7 secs Computing kpt #: 336 total cpu time spent up to now is 73.9 secs Computing kpt #: 337 total cpu time spent up to now is 74.1 secs Computing kpt #: 338 total cpu time spent up to now is 74.3 secs Computing kpt #: 339 total cpu time spent up to now is 74.5 secs Computing kpt #: 340 total cpu time spent up to now is 74.7 secs Computing kpt #: 341 total cpu time spent up to now is 74.9 secs Computing kpt #: 342 total cpu time spent up to now is 75.1 secs Computing kpt #: 343 total cpu time spent up to now is 75.3 secs Computing kpt #: 344 total cpu time spent up to now is 75.6 secs Computing kpt #: 345 total cpu time spent up to now is 75.8 secs Computing kpt #: 346 total cpu time spent up to now is 76.1 secs Computing kpt #: 347 total cpu time spent up to now is 76.3 secs ethr = 3.57E-08, avg # of iterations = 17.4 total cpu time spent up to now is 76.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2205 PWs) bands (ev): -72.2172 -72.2172 -41.0423 -41.0423 -36.5753 -36.5753 -36.5753 -36.5753 -28.7515 -28.7515 -9.9443 -9.9443 -9.5643 -9.5643 -9.5643 -9.5643 6.5867 6.5867 8.4003 8.4003 8.4003 8.4003 9.6800 9.6800 9.6800 9.6800 9.9319 9.9319 14.7680 14.7680 14.7680 14.7680 17.4889 17.4889 17.4889 17.4889 k = 0.0000 0.0111-0.0000 ( 2237 PWs) bands (ev): -72.2173 -72.2173 -41.0423 -41.0423 -36.5753 -36.5753 -36.5753 -36.5753 -28.7515 -28.7515 -9.9444 -9.9444 -9.5645 -9.5645 -9.5643 -9.5643 6.5886 6.5886 8.4006 8.4006 8.4010 8.4010 9.6793 9.6793 9.6797 9.6797 9.9314 9.9314 14.7671 14.7671 14.7674 14.7674 17.4804 17.4804 17.4859 17.4859 k = 0.0000 0.0222-0.0000 ( 2237 PWs) bands (ev): -72.2173 -72.2173 -41.0423 -41.0423 -36.5753 -36.5753 -36.5753 -36.5753 -28.7514 -28.7514 -9.9447 -9.9447 -9.5651 -9.5651 -9.5642 -9.5642 6.5942 6.5942 8.4019 8.4019 8.4036 8.4036 9.6784 9.6784 9.6798 9.6798 9.9310 9.9310 14.7647 14.7647 14.7662 14.7662 17.4555 17.4555 17.4727 17.4727 k = 0.0000 0.0333-0.0000 ( 2253 PWs) bands (ev): -72.2173 -72.2173 -41.0424 -41.0424 -36.5754 -36.5754 -36.5753 -36.5753 -28.7513 -28.7513 -9.9451 -9.9451 -9.5662 -9.5662 -9.5641 -9.5641 6.6037 6.6037 8.4039 8.4039 8.4078 8.4078 9.6770 9.6770 9.6797 9.6797 9.9301 9.9301 14.7605 14.7605 14.7639 14.7639 17.4161 17.4161 17.4430 17.4430 k = 0.0000 0.0444-0.0000 ( 2253 PWs) bands (ev): -72.2173 -72.2173 -41.0424 -41.0424 -36.5755 -36.5755 -36.5753 -36.5753 -28.7511 -28.7511 -9.9457 -9.9457 -9.5676 -9.5676 -9.5640 -9.5640 6.6169 6.6169 8.4070 8.4070 8.4138 8.4138 9.6751 9.6751 9.6798 9.6798 9.9291 9.9291 14.7550 14.7550 14.7608 14.7608 17.3647 17.3647 17.3989 17.3989 k = 0.0000 0.0556-0.0000 ( 2253 PWs) bands (ev): -72.2173 -72.2173 -41.0424 -41.0424 -36.5756 -36.5756 -36.5753 -36.5753 -28.7509 -28.7509 -9.9465 -9.9465 -9.5694 -9.5694 -9.5638 -9.5638 6.6339 6.6339 8.4109 8.4109 8.4216 8.4216 9.6726 9.6726 9.6800 9.6800 9.9278 9.9278 14.7479 14.7479 14.7564 14.7564 17.3037 17.3037 17.3443 17.3443 k = 0.0000 0.0667-0.0000 ( 2249 PWs) bands (ev): -72.2173 -72.2173 -41.0424 -41.0424 -36.5757 -36.5757 -36.5753 -36.5753 -28.7506 -28.7506 -9.9475 -9.9475 -9.5715 -9.5715 -9.5636 -9.5636 6.6545 6.6545 8.4156 8.4156 8.4312 8.4312 9.6697 9.6697 9.6801 9.6801 9.9263 9.9263 14.7393 14.7393 14.7504 14.7504 17.2356 17.2356 17.2819 17.2819 k = 0.0000 0.0778-0.0000 ( 2241 PWs) bands (ev): -72.2173 -72.2173 -41.0425 -41.0425 -36.5758 -36.5758 -36.5752 -36.5752 -28.7502 -28.7502 -9.9486 -9.9486 -9.5740 -9.5740 -9.5634 -9.5634 6.6789 6.6789 8.4212 8.4212 8.4423 8.4423 9.6663 9.6663 9.6802 9.6802 9.9246 9.9246 14.7292 14.7292 14.7426 14.7426 17.1624 17.1624 17.2137 17.2137 k = 0.0000 0.0889-0.0000 ( 2241 PWs) bands (ev): -72.2173 -72.2173 -41.0425 -41.0425 -36.5760 -36.5760 -36.5752 -36.5752 -28.7499 -28.7499 -9.9500 -9.9500 -9.5768 -9.5768 -9.5631 -9.5631 6.7069 6.7069 8.4276 8.4276 8.4549 8.4549 9.6624 9.6624 9.6802 9.6802 9.9228 9.9228 14.7177 14.7177 14.7326 14.7326 17.0854 17.0854 17.1411 17.1411 k = 0.0000 0.1000-0.0000 ( 2233 PWs) bands (ev): -72.2172 -72.2172 -41.0426 -41.0426 -36.5762 -36.5762 -36.5752 -36.5752 -28.7494 -28.7494 -9.9515 -9.9515 -9.5800 -9.5800 -9.5628 -9.5628 6.7384 6.7384 8.4348 8.4348 8.4692 8.4692 9.6581 9.6581 9.6802 9.6802 9.9208 9.9208 14.7047 14.7047 14.7198 14.7198 17.0061 17.0061 17.0656 17.0656 k = 0.0000 0.1111-0.0000 ( 2233 PWs) bands (ev): -72.2172 -72.2172 -41.0426 -41.0426 -36.5764 -36.5764 -36.5752 -36.5752 -28.7490 -28.7490 -9.9532 -9.9532 -9.5834 -9.5834 -9.5624 -9.5624 6.7735 6.7735 8.4427 8.4427 8.4850 8.4850 9.6533 9.6533 9.6800 9.6800 9.9188 9.9188 14.6905 14.6905 14.7037 14.7037 16.9254 16.9254 16.9880 16.9880 k = 0.0000 0.1222-0.0000 ( 2228 PWs) bands (ev): -72.2172 -72.2172 -41.0427 -41.0427 -36.5766 -36.5766 -36.5751 -36.5751 -28.7485 -28.7485 -9.9551 -9.9551 -9.5870 -9.5870 -9.5621 -9.5621 6.8121 6.8121 8.4514 8.4514 8.5023 8.5023 9.6482 9.6482 9.6797 9.6797 9.9168 9.9168 14.6749 14.6749 14.6839 14.6839 16.8440 16.8440 16.9092 16.9092 k = 0.0000 0.1333-0.0000 ( 2232 PWs) bands (ev): -72.2172 -72.2172 -41.0427 -41.0427 -36.5768 -36.5768 -36.5751 -36.5751 -28.7479 -28.7479 -9.9572 -9.9572 -9.5909 -9.5909 -9.5616 -9.5616 6.8541 6.8541 8.4607 8.4607 8.5210 8.5210 9.6427 9.6427 9.6791 9.6791 9.9148 9.9148 14.6581 14.6581 14.6594 14.6594 16.7626 16.7626 16.8298 16.8298 k = 0.0000 0.1444-0.0000 ( 2232 PWs) bands (ev): -72.2172 -72.2172 -41.0428 -41.0428 -36.5771 -36.5771 -36.5751 -36.5751 -28.7474 -28.7474 -9.9595 -9.9595 -9.5949 -9.5949 -9.5612 -9.5612 6.8994 6.8994 8.4706 8.4706 8.5412 8.5412 9.6369 9.6369 9.6783 9.6783 9.9129 9.9129 14.6300 14.6300 14.6401 14.6401 16.6815 16.6815 16.7504 16.7504 k = 0.0000 0.1556-0.0000 ( 2232 PWs) bands (ev): -72.2172 -72.2172 -41.0429 -41.0429 -36.5773 -36.5773 -36.5750 -36.5750 -28.7468 -28.7468 -9.9620 -9.9620 -9.5991 -9.5991 -9.5608 -9.5608 6.9479 6.9479 8.4812 8.4812 8.5628 8.5628 9.6308 9.6308 9.6773 9.6773 9.9112 9.9112 14.5948 14.5948 14.6210 14.6210 16.6013 16.6013 16.6715 16.6715 k = 0.0000 0.1667-0.0000 ( 2232 PWs) bands (ev): -72.2172 -72.2172 -41.0430 -41.0430 -36.5776 -36.5776 -36.5750 -36.5750 -28.7461 -28.7461 -9.9647 -9.9647 -9.6034 -9.6034 -9.5603 -9.5603 6.9995 6.9995 8.4923 8.4923 8.5857 8.5857 9.6245 9.6245 9.6759 9.6759 9.9097 9.9097 14.5531 14.5531 14.6009 14.6009 16.5222 16.5222 16.5933 16.5933 k = 0.0000 0.1778-0.0000 ( 2236 PWs) bands (ev): -72.2172 -72.2172 -41.0430 -41.0430 -36.5779 -36.5779 -36.5750 -36.5750 -28.7455 -28.7455 -9.9676 -9.9676 -9.6078 -9.6078 -9.5598 -9.5598 7.0542 7.0542 8.5039 8.5039 8.6099 8.6099 9.6180 9.6180 9.6742 9.6742 9.9084 9.9084 14.5044 14.5044 14.5799 14.5799 16.4444 16.4444 16.5162 16.5162 k = 0.0000 0.1889-0.0000 ( 2244 PWs) bands (ev): -72.2172 -72.2172 -41.0431 -41.0431 -36.5782 -36.5782 -36.5749 -36.5749 -28.7448 -28.7448 -9.9707 -9.9707 -9.6122 -9.6122 -9.5593 -9.5593 7.1117 7.1117 8.5159 8.5159 8.6354 8.6354 9.6115 9.6115 9.6721 9.6721 9.9073 9.9073 14.4483 14.4483 14.5581 14.5581 16.3682 16.3682 16.4404 16.4404 k = 0.0000 0.2000-0.0000 ( 2252 PWs) bands (ev): -72.2172 -72.2172 -41.0432 -41.0432 -36.5785 -36.5785 -36.5749 -36.5749 -28.7441 -28.7441 -9.9740 -9.9740 -9.6166 -9.6166 -9.5588 -9.5588 7.1718 7.1718 8.5285 8.5285 8.6620 8.6620 9.6048 9.6048 9.6697 9.6697 9.9067 9.9067 14.3842 14.3842 14.5355 14.5355 16.2937 16.2937 16.3661 16.3661 k = 0.0000 0.2111-0.0000 ( 2252 PWs) bands (ev): -72.2172 -72.2172 -41.0433 -41.0433 -36.5788 -36.5788 -36.5749 -36.5749 -28.7433 -28.7433 -9.9775 -9.9775 -9.6211 -9.6211 -9.5582 -9.5582 7.2346 7.2346 8.5414 8.5414 8.6901 8.6901 9.5982 9.5982 9.6670 9.6670 9.9064 9.9064 14.3120 14.3120 14.5123 14.5123 16.2211 16.2211 16.2936 16.2936 k = 0.0000 0.2222-0.0000 ( 2260 PWs) bands (ev): -72.2172 -72.2172 -41.0434 -41.0434 -36.5792 -36.5792 -36.5748 -36.5748 -28.7426 -28.7426 -9.9811 -9.9811 -9.6254 -9.6254 -9.5577 -9.5577 7.2996 7.2996 8.5546 8.5546 8.7193 8.7193 9.5916 9.5916 9.6639 9.6639 9.9064 9.9064 14.2317 14.2317 14.4885 14.4885 16.1504 16.1504 16.2230 16.2230 k = 0.0000 0.2333-0.0000 ( 2252 PWs) bands (ev): -72.2171 -72.2171 -41.0435 -41.0435 -36.5795 -36.5795 -36.5748 -36.5748 -28.7419 -28.7419 -9.9849 -9.9849 -9.6297 -9.6297 -9.5571 -9.5571 7.3668 7.3668 8.5680 8.5680 8.7500 8.7500 9.5852 9.5852 9.6606 9.6606 9.9070 9.9070 14.1432 14.1432 14.4643 14.4643 16.0819 16.0819 16.1544 16.1544 k = 0.0000 0.2444-0.0000 ( 2252 PWs) bands (ev): -72.2171 -72.2171 -41.0436 -41.0436 -36.5798 -36.5798 -36.5748 -36.5748 -28.7411 -28.7411 -9.9888 -9.9888 -9.6339 -9.6339 -9.5565 -9.5565 7.4357 7.4357 8.5817 8.5817 8.7820 8.7820 9.5790 9.5790 9.6569 9.6569 9.9077 9.9077 14.0470 14.0470 14.4398 14.4398 16.0155 16.0155 16.0879 16.0879 k = 0.0000 0.2556-0.0000 ( 2252 PWs) bands (ev): -72.2171 -72.2171 -41.0437 -41.0437 -36.5801 -36.5801 -36.5747 -36.5747 -28.7404 -28.7404 -9.9928 -9.9928 -9.6380 -9.6380 -9.5560 -9.5560 7.5062 7.5062 8.5954 8.5954 8.8155 8.8155 9.5731 9.5731 9.6530 9.6530 9.9088 9.9088 13.9434 13.9434 14.4150 14.4150 15.9515 15.9515 16.0236 16.0236 k = 0.0000 0.2667-0.0000 ( 2260 PWs) bands (ev): -72.2171 -72.2171 -41.0438 -41.0438 -36.5805 -36.5805 -36.5747 -36.5747 -28.7396 -28.7396 -9.9970 -9.9970 -9.6420 -9.6420 -9.5554 -9.5554 7.5779 7.5779 8.6092 8.6092 8.8504 8.8504 9.5675 9.5675 9.6488 9.6488 9.9101 9.9101 13.8330 13.8330 14.3902 14.3902 15.8897 15.8897 15.9616 15.9616 k = 0.0000 0.2778-0.0000 ( 2252 PWs) bands (ev): -72.2171 -72.2171 -41.0438 -41.0438 -36.5808 -36.5808 -36.5746 -36.5746 -28.7389 -28.7389 -10.0012 -10.0012 -9.6458 -9.6458 -9.5549 -9.5549 7.6504 7.6504 8.6230 8.6230 8.8870 8.8870 9.5625 9.5625 9.6445 9.6445 9.9118 9.9118 13.7165 13.7165 14.3654 14.3654 15.8304 15.8304 15.9021 15.9021 k = 0.0000 0.2889-0.0000 ( 2252 PWs) bands (ev): -72.2170 -72.2170 -41.0439 -41.0439 -36.5811 -36.5811 -36.5746 -36.5746 -28.7381 -28.7381 -10.0055 -10.0055 -9.6494 -9.6494 -9.5543 -9.5543 7.7232 7.7232 8.6367 8.6367 8.9253 8.9253 9.5581 9.5581 9.6400 9.6400 9.9138 9.9138 13.5944 13.5944 14.3408 14.3408 15.7736 15.7736 15.8451 15.8451 k = 0.0000 0.3000-0.0000 ( 2252 PWs) bands (ev): -72.2170 -72.2170 -41.0440 -41.0440 -36.5814 -36.5814 -36.5746 -36.5746 -28.7374 -28.7374 -10.0098 -10.0098 -9.6528 -9.6528 -9.5538 -9.5538 7.7959 7.7959 8.6503 8.6503 8.9654 8.9654 9.5545 9.5545 9.6355 9.6355 9.9159 9.9159 13.4676 13.4676 14.3165 14.3165 15.7194 15.7194 15.7906 15.7906 k = 0.0000 0.3111-0.0000 ( 2252 PWs) bands (ev): -72.2170 -72.2170 -41.0441 -41.0441 -36.5817 -36.5817 -36.5745 -36.5745 -28.7367 -28.7367 -10.0141 -10.0141 -9.6561 -9.6561 -9.5533 -9.5533 7.8678 7.8678 8.6637 8.6637 9.0076 9.0076 9.5519 9.5519 9.6309 9.6309 9.9182 9.9182 13.3367 13.3367 14.2926 14.2926 15.6678 15.6678 15.7387 15.7387 k = 0.0000 0.3222-0.0000 ( 2244 PWs) bands (ev): -72.2170 -72.2170 -41.0442 -41.0442 -36.5820 -36.5820 -36.5745 -36.5745 -28.7360 -28.7360 -10.0184 -10.0184 -9.6591 -9.6591 -9.5527 -9.5527 7.9384 7.9384 8.6767 8.6767 9.0518 9.0518 9.5508 9.5508 9.6264 9.6264 9.9207 9.9207 13.2025 13.2025 14.2692 14.2692 15.6189 15.6189 15.6896 15.6896 k = 0.0000 0.3333-0.0000 ( 2244 PWs) bands (ev): -72.2170 -72.2170 -41.0443 -41.0443 -36.5823 -36.5823 -36.5745 -36.5745 -28.7353 -28.7353 -10.0226 -10.0226 -9.6620 -9.6620 -9.5522 -9.5522 8.0070 8.0070 8.6894 8.6894 9.0980 9.0980 9.5514 9.5514 9.6219 9.6219 9.9232 9.9232 13.0657 13.0657 14.2465 14.2465 15.5726 15.5726 15.6431 15.6431 k = 0.0000 0.3444-0.0000 ( 2244 PWs) bands (ev): -72.2170 -72.2170 -41.0443 -41.0443 -36.5826 -36.5826 -36.5744 -36.5744 -28.7347 -28.7347 -10.0267 -10.0267 -9.6647 -9.6647 -9.5518 -9.5518 8.0729 8.0729 8.7017 8.7017 9.1458 9.1458 9.5547 9.5547 9.6175 9.6175 9.9257 9.9257 12.9271 12.9271 14.2245 14.2245 15.5292 15.5292 15.5995 15.5995 k = 0.0000 0.3556-0.0000 ( 2252 PWs) bands (ev): -72.2170 -72.2170 -41.0444 -41.0444 -36.5828 -36.5828 -36.5744 -36.5744 -28.7341 -28.7341 -10.0307 -10.0307 -9.6671 -9.6671 -9.5513 -9.5513 8.1355 8.1355 8.7134 8.7134 9.1943 9.1943 9.5616 9.5616 9.6131 9.6131 9.9282 9.9282 12.7873 12.7873 14.2034 14.2034 15.4886 15.4886 15.5586 15.5586 k = 0.0000 0.3667-0.0000 ( 2252 PWs) bands (ev): -72.2169 -72.2169 -41.0445 -41.0445 -36.5831 -36.5831 -36.5744 -36.5744 -28.7335 -28.7335 -10.0346 -10.0346 -9.6694 -9.6694 -9.5509 -9.5509 8.1942 8.1942 8.7246 8.7246 9.2420 9.2420 9.5741 9.5741 9.6091 9.6091 9.9308 9.9308 12.6471 12.6471 14.1834 14.1834 15.4508 15.4508 15.5207 15.5207 k = 0.0000 0.3778-0.0000 ( 2252 PWs) bands (ev): -72.2169 -72.2169 -41.0446 -41.0446 -36.5833 -36.5833 -36.5743 -36.5743 -28.7330 -28.7330 -10.0382 -10.0382 -9.6715 -9.6715 -9.5505 -9.5505 8.2486 8.2486 8.7351 8.7351 9.2866 9.2866 9.5947 9.5947 9.6052 9.6052 9.9332 9.9332 12.5071 12.5071 14.1645 14.1645 15.4160 15.4160 15.4856 15.4856 k = 0.0000 0.3889-0.0000 ( 2248 PWs) bands (ev): -72.2169 -72.2169 -41.0446 -41.0446 -36.5835 -36.5835 -36.5743 -36.5743 -28.7325 -28.7325 -10.0417 -10.0417 -9.6733 -9.6733 -9.5501 -9.5501 8.2982 8.2982 8.7450 8.7450 9.3251 9.3251 9.6017 9.6017 9.6261 9.6261 9.9356 9.9356 12.3682 12.3682 14.1469 14.1469 15.3840 15.3840 15.4535 15.4535 k = 0.0000 0.4000-0.0000 ( 2232 PWs) bands (ev): -72.2169 -72.2169 -41.0447 -41.0447 -36.5837 -36.5837 -36.5743 -36.5743 -28.7320 -28.7320 -10.0449 -10.0449 -9.6750 -9.6750 -9.5497 -9.5497 8.3428 8.3428 8.7542 8.7542 9.3553 9.3553 9.5985 9.5985 9.6701 9.6701 9.9379 9.9379 12.2314 12.2314 14.1305 14.1305 15.3551 15.3551 15.4245 15.4245 k = 0.0000 0.4111-0.0000 ( 2240 PWs) bands (ev): -72.2169 -72.2169 -41.0447 -41.0447 -36.5839 -36.5839 -36.5743 -36.5743 -28.7316 -28.7316 -10.0478 -10.0478 -9.6765 -9.6765 -9.5494 -9.5494 8.3824 8.3824 8.7624 8.7624 9.3769 9.3769 9.5953 9.5953 9.7261 9.7261 9.9399 9.9399 12.0974 12.0974 14.1156 14.1156 15.3291 15.3291 15.3983 15.3983 k = 0.0000 0.4222-0.0000 ( 2240 PWs) bands (ev): -72.2169 -72.2169 -41.0448 -41.0448 -36.5841 -36.5841 -36.5742 -36.5742 -28.7312 -28.7312 -10.0505 -10.0505 -9.6778 -9.6778 -9.5492 -9.5492 8.4168 8.4168 8.7698 8.7698 9.3916 9.3916 9.5926 9.5926 9.7915 9.7915 9.9418 9.9418 11.9677 11.9677 14.1023 14.1023 15.3061 15.3061 15.3752 15.3752 k = 0.0000 0.4333-0.0000 ( 2248 PWs) bands (ev): -72.2169 -72.2169 -41.0448 -41.0448 -36.5842 -36.5842 -36.5742 -36.5742 -28.7309 -28.7309 -10.0529 -10.0529 -9.6789 -9.6789 -9.5489 -9.5489 8.4461 8.4461 8.7763 8.7763 9.4013 9.4013 9.5901 9.5901 9.8629 9.8629 9.9434 9.9434 11.8438 11.8438 14.0905 14.0905 15.2861 15.2861 15.3551 15.3551 k = 0.0000 0.4444-0.0000 ( 2248 PWs) bands (ev): -72.2169 -72.2169 -41.0449 -41.0449 -36.5843 -36.5843 -36.5742 -36.5742 -28.7306 -28.7306 -10.0549 -10.0549 -9.6798 -9.6798 -9.5487 -9.5487 8.4706 8.4706 8.7819 8.7819 9.4078 9.4078 9.5880 9.5880 9.9365 9.9365 9.9449 9.9449 11.7277 11.7277 14.0804 14.0804 15.2692 15.2692 15.3380 15.3380 k = 0.0000 0.4556-0.0000 ( 2252 PWs) bands (ev): -72.2169 -72.2169 -41.0449 -41.0449 -36.5844 -36.5844 -36.5742 -36.5742 -28.7303 -28.7303 -10.0566 -10.0566 -9.6806 -9.6806 -9.5485 -9.5485 8.4903 8.4903 8.7865 8.7865 9.4120 9.4120 9.5863 9.5863 9.9461 9.9461 10.0082 10.0082 11.6224 11.6224 14.0721 14.0721 15.2553 15.2553 15.3241 15.3241 k = 0.0000 0.4667-0.0000 ( 2252 PWs) bands (ev): -72.2169 -72.2169 -41.0449 -41.0449 -36.5845 -36.5845 -36.5742 -36.5742 -28.7302 -28.7302 -10.0579 -10.0579 -9.6812 -9.6812 -9.5484 -9.5484 8.5055 8.5055 8.7902 8.7902 9.4148 9.4148 9.5850 9.5850 9.9471 9.9471 10.0735 10.0735 11.5316 11.5316 14.0656 14.0656 15.2445 15.2445 15.3132 15.3132 k = 0.0000 0.4778-0.0000 ( 2248 PWs) bands (ev): -72.2169 -72.2169 -41.0449 -41.0449 -36.5846 -36.5846 -36.5742 -36.5742 -28.7300 -28.7300 -10.0588 -10.0588 -9.6816 -9.6816 -9.5483 -9.5483 8.5162 8.5162 8.7928 8.7928 9.4166 9.4166 9.5841 9.5841 9.9478 9.9478 10.1268 10.1268 11.4604 11.4604 14.0609 14.0609 15.2369 15.2369 15.3055 15.3055 k = 0.0000 0.4889-0.0000 ( 2240 PWs) bands (ev): -72.2169 -72.2169 -41.0449 -41.0449 -36.5846 -36.5846 -36.5742 -36.5742 -28.7300 -28.7300 -10.0594 -10.0594 -9.6819 -9.6819 -9.5482 -9.5482 8.5228 8.5228 8.7944 8.7944 9.4176 9.4176 9.5836 9.5836 9.9482 9.9482 10.1623 10.1623 11.4145 11.4145 14.0581 14.0581 15.2322 15.2322 15.3008 15.3008 k = 0.0000 0.5000-0.0000 ( 2240 PWs) bands (ev): -72.2169 -72.2169 -41.0449 -41.0449 -36.5846 -36.5846 -36.5742 -36.5742 -28.7299 -28.7299 -10.0596 -10.0596 -9.6820 -9.6820 -9.5482 -9.5482 8.5249 8.5249 8.7949 8.7949 9.4179 9.4179 9.5834 9.5834 9.9484 9.9484 10.1748 10.1748 11.3985 11.3985 14.0571 14.0571 15.2307 15.2307 15.2993 15.2993 k = 0.0000 0.5000-0.0000 ( 2240 PWs) bands (ev): -72.2169 -72.2169 -41.0449 -41.0449 -36.5846 -36.5846 -36.5742 -36.5742 -28.7299 -28.7299 -10.0596 -10.0596 -9.6820 -9.6820 -9.5482 -9.5482 8.5249 8.5249 8.7949 8.7949 9.4179 9.4179 9.5834 9.5834 9.9484 9.9484 10.1748 10.1748 11.3985 11.3985 14.0571 14.0571 15.2307 15.2307 15.2993 15.2993 k = 0.0111 0.5000-0.0000 ( 2240 PWs) bands (ev): -72.2169 -72.2169 -41.0449 -41.0449 -36.5846 -36.5846 -36.5742 -36.5742 -28.7299 -28.7299 -10.0596 -10.0596 -9.6820 -9.6820 -9.5483 -9.5483 8.5257 8.5257 8.7952 8.7952 9.4159 9.4159 9.5810 9.5810 9.9470 9.9470 10.1809 10.1809 11.3983 11.3983 14.0590 14.0590 15.2313 15.2313 15.2999 15.2999 k = 0.0222 0.5000-0.0000 ( 2242 PWs) bands (ev): -72.2169 -72.2169 -41.0449 -41.0449 -36.5846 -36.5846 -36.5742 -36.5742 -28.7298 -28.7298 -10.0596 -10.0596 -9.6822 -9.6822 -9.5487 -9.5487 8.5281 8.5281 8.7963 8.7963 9.4095 9.4095 9.5743 9.5743 9.9429 9.9429 10.1985 10.1985 11.3977 11.3977 14.0645 14.0645 15.2328 15.2328 15.3020 15.3020 k = 0.0333 0.5000-0.0000 ( 2244 PWs) bands (ev): -72.2169 -72.2169 -41.0450 -41.0450 -36.5846 -36.5846 -36.5742 -36.5742 -28.7297 -28.7297 -10.0596 -10.0596 -9.6826 -9.6826 -9.5493 -9.5493 8.5320 8.5320 8.7981 8.7981 9.3987 9.3987 9.5644 9.5644 9.9367 9.9367 10.2263 10.2263 11.3967 11.3967 14.0738 14.0738 15.2341 15.2341 15.3065 15.3065 k = 0.0444 0.5000-0.0000 ( 2240 PWs) bands (ev): -72.2168 -72.2168 -41.0450 -41.0450 -36.5846 -36.5846 -36.5743 -36.5743 -28.7296 -28.7296 -10.0596 -10.0596 -9.6830 -9.6830 -9.5501 -9.5501 8.5372 8.5372 8.8010 8.8010 9.3834 9.3834 9.5530 9.5530 9.9287 9.9287 10.2626 10.2626 11.3954 11.3954 14.0866 14.0866 15.2339 15.2339 15.3149 15.3149 k = 0.0556 0.5000-0.0000 ( 2236 PWs) bands (ev): -72.2168 -72.2168 -41.0450 -41.0450 -36.5846 -36.5846 -36.5744 -36.5744 -28.7294 -28.7294 -10.0596 -10.0596 -9.6836 -9.6836 -9.5512 -9.5512 8.5433 8.5433 8.8051 8.8051 9.3636 9.3636 9.5413 9.5413 9.9193 9.9193 10.3057 10.3057 11.3938 11.3938 14.1031 14.1031 15.2310 15.2310 15.3281 15.3281 k = 0.0667 0.5000-0.0000 ( 2232 PWs) bands (ev): -72.2168 -72.2168 -41.0450 -41.0450 -36.5847 -36.5847 -36.5744 -36.5744 -28.7292 -28.7292 -10.0596 -10.0596 -9.6844 -9.6844 -9.5524 -9.5524 8.5502 8.5502 8.8104 8.8104 9.3400 9.3400 9.5300 9.5300 9.9085 9.9085 10.3546 10.3546 11.3919 11.3919 14.1230 14.1230 15.2251 15.2251 15.3462 15.3462 k = 0.0778 0.5000-0.0000 ( 2232 PWs) bands (ev): -72.2168 -72.2168 -41.0451 -41.0451 -36.5847 -36.5847 -36.5745 -36.5745 -28.7289 -28.7289 -10.0596 -10.0596 -9.6853 -9.6853 -9.5538 -9.5538 8.5574 8.5574 8.8173 8.8173 9.3132 9.3132 9.5193 9.5193 9.8964 9.8964 10.4083 10.4083 11.3897 11.3897 14.1462 14.1462 15.2162 15.2162 15.3691 15.3691 k = 0.0889 0.5000-0.0000 ( 2232 PWs) bands (ev): -72.2168 -72.2168 -41.0451 -41.0451 -36.5847 -36.5847 -36.5746 -36.5746 -28.7286 -28.7286 -10.0597 -10.0597 -9.6864 -9.6864 -9.5554 -9.5554 8.5645 8.5645 8.8260 8.8260 9.2843 9.2843 9.5093 9.5093 9.8831 9.8831 10.4661 10.4661 11.3874 11.3874 14.1727 14.1727 15.2045 15.2045 15.3962 15.3962 k = 0.1000 0.5000-0.0000 ( 2236 PWs) bands (ev): -72.2168 -72.2168 -41.0452 -41.0452 -36.5847 -36.5847 -36.5748 -36.5748 -28.7283 -28.7283 -10.0597 -10.0597 -9.6877 -9.6877 -9.5570 -9.5570 8.5710 8.5710 8.8366 8.8366 9.2544 9.2544 9.4997 9.4997 9.8685 9.8685 10.5274 10.5274 11.3848 11.3848 14.2022 14.2022 15.1903 15.1903 15.4272 15.4272 k = 0.1111 0.5000-0.0000 ( 2242 PWs) bands (ev): -72.2168 -72.2168 -41.0452 -41.0452 -36.5848 -36.5848 -36.5749 -36.5749 -28.7279 -28.7279 -10.0598 -10.0598 -9.6892 -9.6892 -9.5588 -9.5588 8.5765 8.5765 8.8490 8.8490 9.2246 9.2246 9.4904 9.4904 9.8528 9.8528 10.5919 10.5919 11.3823 11.3823 14.2347 14.2347 15.1733 15.1733 15.4617 15.4617 k = 0.1222 0.5000-0.0000 ( 2232 PWs) bands (ev): -72.2168 -72.2168 -41.0453 -41.0453 -36.5848 -36.5848 -36.5750 -36.5750 -28.7275 -28.7275 -10.0599 -10.0599 -9.6908 -9.6908 -9.5606 -9.5606 8.5809 8.5809 8.8627 8.8627 9.1963 9.1963 9.4813 9.4813 9.8363 9.8363 10.6593 10.6593 11.3798 11.3798 14.2700 14.2700 15.1538 15.1538 15.4997 15.4997 k = 0.1333 0.5000-0.0000 ( 2238 PWs) bands (ev): -72.2168 -72.2168 -41.0453 -41.0453 -36.5848 -36.5848 -36.5752 -36.5752 -28.7270 -28.7270 -10.0601 -10.0601 -9.6927 -9.6927 -9.5624 -9.5624 8.5837 8.5837 8.8764 8.8764 9.1710 9.1710 9.4721 9.4721 9.8189 9.8189 10.7293 10.7293 11.3774 11.3774 14.3078 14.3078 15.1316 15.1316 15.5406 15.5406 k = 0.1444 0.5000-0.0000 ( 2234 PWs) bands (ev): -72.2168 -72.2168 -41.0454 -41.0454 -36.5849 -36.5849 -36.5753 -36.5753 -28.7266 -28.7266 -10.0603 -10.0603 -9.6947 -9.6947 -9.5643 -9.5643 8.5851 8.5851 8.8880 8.8880 9.1512 9.1512 9.4628 9.4628 9.8008 9.8008 10.8018 10.8018 11.3752 11.3752 14.3479 14.3479 15.1066 15.1066 15.5844 15.5844 k = 0.1556 0.5000-0.0000 ( 2238 PWs) bands (ev): -72.2168 -72.2168 -41.0455 -41.0455 -36.5849 -36.5849 -36.5755 -36.5755 -28.7261 -28.7261 -10.0605 -10.0605 -9.6970 -9.6970 -9.5660 -9.5660 8.5850 8.5850 8.8944 8.8944 9.1400 9.1400 9.4534 9.4534 9.7822 9.7822 10.8766 10.8766 11.3733 11.3733 14.3901 14.3901 15.0788 15.0788 15.6307 15.6307 k = 0.1667 0.5000-0.0000 ( 2230 PWs) bands (ev): -72.2167 -72.2167 -41.0455 -41.0455 -36.5850 -36.5850 -36.5756 -36.5756 -28.7256 -28.7256 -10.0608 -10.0608 -9.6995 -9.6995 -9.5678 -9.5678 8.5837 8.5837 8.8931 8.8931 9.1402 9.1402 9.4439 9.4439 9.7632 9.7632 10.9534 10.9534 11.3719 11.3719 14.4342 14.4342 15.0480 15.0480 15.6794 15.6794 k = 0.1778 0.5000-0.0000 ( 2242 PWs) bands (ev): -72.2167 -72.2167 -41.0456 -41.0456 -36.5850 -36.5850 -36.5758 -36.5758 -28.7250 -28.7250 -10.0612 -10.0612 -9.7022 -9.7022 -9.5694 -9.5694 8.5809 8.5809 8.8827 8.8827 9.1525 9.1525 9.4342 9.4342 9.7439 9.7439 11.0321 11.0321 11.3711 11.3711 14.4798 14.4798 15.0140 15.0140 15.7302 15.7302 k = 0.1889 0.5000-0.0000 ( 2242 PWs) bands (ev): -72.2167 -72.2167 -41.0457 -41.0457 -36.5851 -36.5851 -36.5760 -36.5760 -28.7245 -28.7245 -10.0616 -10.0616 -9.7050 -9.7050 -9.5709 -9.5709 8.5773 8.5773 8.8648 8.8648 9.1753 9.1753 9.4245 9.4245 9.7248 9.7248 11.1123 11.1123 11.3715 11.3715 14.5266 14.5266 14.9768 14.9768 15.7829 15.7829 k = 0.2000 0.5000-0.0000 ( 2242 PWs) bands (ev): -72.2167 -72.2167 -41.0458 -41.0458 -36.5852 -36.5852 -36.5761 -36.5761 -28.7239 -28.7239 -10.0621 -10.0621 -9.7081 -9.7081 -9.5724 -9.5724 8.5727 8.5727 8.8419 8.8419 9.2057 9.2057 9.4149 9.4149 9.7062 9.7062 11.1931 11.1931 11.3737 11.3737 14.5744 14.5744 14.9364 14.9364 15.8372 15.8372 k = 0.2111 0.5000-0.0000 ( 2238 PWs) bands (ev): -72.2167 -72.2167 -41.0459 -41.0459 -36.5853 -36.5853 -36.5763 -36.5763 -28.7233 -28.7233 -10.0627 -10.0627 -9.7112 -9.7112 -9.5736 -9.5736 8.5674 8.5674 8.8160 8.8160 9.2409 9.2409 9.4057 9.4057 9.6884 9.6884 11.2720 11.2720 11.3805 11.3805 14.6228 14.6228 14.8926 14.8926 15.8930 15.8930 k = 0.2222 0.5000-0.0000 ( 2234 PWs) bands (ev): -72.2167 -72.2167 -41.0459 -41.0459 -36.5854 -36.5854 -36.5764 -36.5764 -28.7227 -28.7227 -10.0633 -10.0633 -9.7146 -9.7146 -9.5748 -9.5748 8.5614 8.5614 8.7885 8.7885 9.2781 9.2781 9.3977 9.3977 9.6720 9.6720 11.3342 11.3342 11.4065 11.4065 14.6712 14.6712 14.8456 14.8456 15.9499 15.9499 k = 0.2333 0.5000-0.0000 ( 2238 PWs) bands (ev): -72.2167 -72.2167 -41.0460 -41.0460 -36.5855 -36.5855 -36.5766 -36.5766 -28.7221 -28.7221 -10.0641 -10.0641 -9.7180 -9.7180 -9.5758 -9.5758 8.5549 8.5549 8.7602 8.7602 9.3130 9.3130 9.3930 9.3930 9.6579 9.6579 11.3582 11.3582 11.4732 11.4732 14.7187 14.7187 14.7960 14.7960 16.0076 16.0076 k = 0.2444 0.5000-0.0000 ( 2244 PWs) bands (ev): -72.2166 -72.2166 -41.0461 -41.0461 -36.5856 -36.5856 -36.5767 -36.5767 -28.7215 -28.7215 -10.0649 -10.0649 -9.7215 -9.7215 -9.5767 -9.5767 8.5479 8.5479 8.7318 8.7318 9.3362 9.3362 9.3988 9.3988 9.6479 9.6479 11.3676 11.3676 11.5570 11.5570 14.7343 14.7343 14.7741 14.7741 16.0661 16.0661 k = 0.2556 0.5000-0.0000 ( 2244 PWs) bands (ev): -72.2166 -72.2166 -41.0462 -41.0462 -36.5857 -36.5857 -36.5769 -36.5769 -28.7209 -28.7209 -10.0658 -10.0658 -9.7251 -9.7251 -9.5774 -9.5774 8.5406 8.5406 8.7037 8.7037 9.3406 9.3406 9.4193 9.4193 9.6446 9.6446 11.3751 11.3751 11.6454 11.6454 14.6801 14.6801 14.8178 14.8178 16.1249 16.1249 k = 0.2667 0.5000-0.0000 ( 2236 PWs) bands (ev): -72.2166 -72.2166 -41.0463 -41.0463 -36.5858 -36.5858 -36.5770 -36.5770 -28.7203 -28.7203 -10.0668 -10.0668 -9.7286 -9.7286 -9.5781 -9.5781 8.5331 8.5331 8.6761 8.6761 9.3351 9.3351 9.4412 9.4412 9.6521 9.6521 11.3833 11.3833 11.7359 11.7359 14.6193 14.6193 14.8633 14.8633 16.1839 16.1839 k = 0.2778 0.5000-0.0000 ( 2234 PWs) bands (ev): -72.2166 -72.2166 -41.0464 -41.0464 -36.5860 -36.5860 -36.5771 -36.5771 -28.7197 -28.7197 -10.0678 -10.0678 -9.7322 -9.7322 -9.5786 -9.5786 8.5254 8.5254 8.6492 8.6492 9.3265 9.3265 9.4544 9.4544 9.6729 9.6729 11.3927 11.3927 11.8276 11.8276 14.5549 14.5549 14.9073 14.9073 16.2428 16.2428 k = 0.2889 0.5000-0.0000 ( 2234 PWs) bands (ev): -72.2166 -72.2166 -41.0465 -41.0465 -36.5861 -36.5861 -36.5772 -36.5772 -28.7191 -28.7191 -10.0690 -10.0690 -9.7357 -9.7357 -9.5790 -9.5790 8.5176 8.5176 8.6231 8.6231 9.3166 9.3166 9.4573 9.4573 9.7065 9.7065 11.4039 11.4039 11.9201 11.9201 14.4870 14.4870 14.9492 14.9492 16.3012 16.3012 k = 0.3000 0.5000-0.0000 ( 2230 PWs) bands (ev): -72.2165 -72.2165 -41.0465 -41.0465 -36.5863 -36.5863 -36.5773 -36.5773 -28.7185 -28.7185 -10.0702 -10.0702 -9.7391 -9.7391 -9.5793 -9.5793 8.5098 8.5098 8.5980 8.5980 9.3063 9.3063 9.4530 9.4530 9.7490 9.7490 11.4173 11.4173 12.0130 12.0130 14.4161 14.4161 14.9886 14.9886 16.3590 16.3590 k = 0.3111 0.5000-0.0000 ( 2230 PWs) bands (ev): -72.2165 -72.2165 -41.0466 -41.0466 -36.5864 -36.5864 -36.5774 -36.5774 -28.7180 -28.7180 -10.0715 -10.0715 -9.7425 -9.7425 -9.5795 -9.5795 8.5020 8.5020 8.5739 8.5739 9.2959 9.2959 9.4444 9.4444 9.7965 9.7965 11.4331 11.4331 12.1061 12.1061 14.3423 14.3423 15.0248 15.0248 16.4158 16.4158 k = 0.3222 0.5000-0.0000 ( 2238 PWs) bands (ev): -72.2165 -72.2165 -41.0467 -41.0467 -36.5866 -36.5866 -36.5775 -36.5775 -28.7174 -28.7174 -10.0728 -10.0728 -9.7458 -9.7458 -9.5796 -9.5796 8.4943 8.4943 8.5508 8.5508 9.2854 9.2854 9.4337 9.4337 9.8464 9.8464 11.4514 11.4514 12.1989 12.1989 14.2658 14.2658 15.0575 15.0575 16.4713 16.4713 k = 0.3333 0.5000-0.0000 ( 2236 PWs) bands (ev): -72.2165 -72.2165 -41.0468 -41.0468 -36.5867 -36.5867 -36.5776 -36.5776 -28.7169 -28.7169 -10.0741 -10.0741 -9.7489 -9.7489 -9.5797 -9.5797 8.4867 8.4867 8.5290 8.5290 9.2751 9.2751 9.4221 9.4221 9.8972 9.8972 11.4727 11.4727 12.2912 12.2912 14.1871 14.1871 15.0864 15.0864 16.5254 16.5254 k = 0.3444 0.5000-0.0000 ( 2240 PWs) bands (ev): -72.2165 -72.2165 -41.0468 -41.0468 -36.5869 -36.5869 -36.5777 -36.5777 -28.7163 -28.7163 -10.0755 -10.0755 -9.7518 -9.7518 -9.5797 -9.5797 8.4792 8.4792 8.5084 8.5084 9.2650 9.2650 9.4102 9.4102 9.9474 9.9474 11.4970 11.4970 12.3825 12.3825 14.1065 14.1065 15.1112 15.1112 16.5776 16.5776 k = 0.3556 0.5000-0.0000 ( 2240 PWs) bands (ev): -72.2165 -72.2165 -41.0469 -41.0469 -36.5870 -36.5870 -36.5777 -36.5777 -28.7159 -28.7159 -10.0769 -10.0769 -9.7546 -9.7546 -9.5797 -9.5797 8.4719 8.4719 8.4894 8.4894 9.2552 9.2552 9.3985 9.3985 9.9965 9.9965 11.5246 11.5246 12.4724 12.4724 14.0243 14.0243 15.1315 15.1315 16.6278 16.6278 k = 0.3667 0.5000-0.0000 ( 2236 PWs) bands (ev): -72.2165 -72.2165 -41.0470 -41.0470 -36.5871 -36.5871 -36.5778 -36.5778 -28.7154 -28.7154 -10.0782 -10.0782 -9.7572 -9.7572 -9.5796 -9.5796 8.4640 8.4640 8.4725 8.4725 9.2458 9.2458 9.3874 9.3874 10.0436 10.0436 11.5555 11.5555 12.5603 12.5603 13.9412 13.9412 15.1473 15.1473 16.6756 16.6756 k = 0.3778 0.5000-0.0000 ( 2240 PWs) bands (ev): -72.2165 -72.2165 -41.0470 -41.0470 -36.5873 -36.5873 -36.5778 -36.5778 -28.7149 -28.7149 -10.0796 -10.0796 -9.7596 -9.7596 -9.5795 -9.5795 8.4520 8.4520 8.4613 8.4613 9.2368 9.2368 9.3769 9.3769 10.0881 10.0881 11.5896 11.5896 12.6456 12.6456 13.8577 13.8577 15.1585 15.1585 16.7208 16.7208 k = 0.3889 0.5000-0.0000 ( 2232 PWs) bands (ev): -72.2164 -72.2164 -41.0471 -41.0471 -36.5874 -36.5874 -36.5779 -36.5779 -28.7145 -28.7145 -10.0809 -10.0809 -9.7618 -9.7618 -9.5794 -9.5794 8.4375 8.4375 8.4544 8.4544 9.2283 9.2283 9.3672 9.3672 10.1296 10.1296 11.6269 11.6269 12.7278 12.7278 13.7744 13.7744 15.1654 15.1654 16.7631 16.7631 k = 0.4000 0.5000-0.0000 ( 2232 PWs) bands (ev): -72.2164 -72.2164 -41.0472 -41.0472 -36.5875 -36.5875 -36.5779 -36.5779 -28.7142 -28.7142 -10.0821 -10.0821 -9.7638 -9.7638 -9.5793 -9.5793 8.4238 8.4238 8.4486 8.4486 9.2204 9.2204 9.3582 9.3582 10.1676 10.1676 11.6669 11.6669 12.8060 12.8060 13.6922 13.6922 15.1682 15.1682 16.8021 16.8021 k = 0.4111 0.5000-0.0000 ( 2232 PWs) bands (ev): -72.2164 -72.2164 -41.0472 -41.0472 -36.5876 -36.5876 -36.5780 -36.5780 -28.7138 -28.7138 -10.0833 -10.0833 -9.7656 -9.7656 -9.5791 -9.5791 8.4113 8.4113 8.4435 8.4435 9.2131 9.2131 9.3501 9.3501 10.2019 10.2019 11.7091 11.7091 12.8793 12.8793 13.6122 13.6122 15.1673 15.1673 16.8378 16.8378 k = 0.4222 0.5000-0.0000 ( 2232 PWs) bands (ev): -72.2164 -72.2164 -41.0472 -41.0472 -36.5877 -36.5877 -36.5780 -36.5780 -28.7135 -28.7135 -10.0843 -10.0843 -9.7672 -9.7672 -9.5790 -9.5790 8.4002 8.4002 8.4389 8.4389 9.2066 9.2066 9.3429 9.3429 10.2323 10.2323 11.7527 11.7527 12.9467 12.9467 13.5355 13.5355 15.1634 15.1634 16.8697 16.8697 k = 0.4333 0.5000-0.0000 ( 2232 PWs) bands (ev): -72.2164 -72.2164 -41.0473 -41.0473 -36.5878 -36.5878 -36.5780 -36.5780 -28.7132 -28.7132 -10.0853 -10.0853 -9.7686 -9.7686 -9.5789 -9.5789 8.3906 8.3906 8.4349 8.4349 9.2007 9.2007 9.3367 9.3367 10.2586 10.2586 11.7965 11.7965 13.0069 13.0069 13.4640 13.4640 15.1572 15.1572 16.8977 16.8977 k = 0.4444 0.5000-0.0000 ( 2224 PWs) bands (ev): -72.2164 -72.2164 -41.0473 -41.0473 -36.5879 -36.5879 -36.5780 -36.5780 -28.7130 -28.7130 -10.0861 -10.0861 -9.7697 -9.7697 -9.5788 -9.5788 8.3825 8.3825 8.4315 8.4315 9.1958 9.1958 9.3314 9.3314 10.2808 10.2808 11.8391 11.8391 13.0583 13.0583 13.3997 13.3997 15.1496 15.1496 16.9213 16.9213 k = 0.4556 0.5000-0.0000 ( 2220 PWs) bands (ev): -72.2164 -72.2164 -41.0473 -41.0473 -36.5880 -36.5880 -36.5780 -36.5780 -28.7128 -28.7128 -10.0868 -10.0868 -9.7707 -9.7707 -9.5787 -9.5787 8.3758 8.3758 8.4287 8.4287 9.1917 9.1917 9.3272 9.3272 10.2990 10.2990 11.8787 11.8787 13.0986 13.0986 13.3460 13.3460 15.1417 15.1417 16.9403 16.9403 k = 0.4667 0.5000-0.0000 ( 2212 PWs) bands (ev): -72.2164 -72.2164 -41.0473 -41.0473 -36.5880 -36.5880 -36.5780 -36.5780 -28.7127 -28.7127 -10.0873 -10.0873 -9.7714 -9.7714 -9.5786 -9.5786 8.3706 8.3706 8.4265 8.4265 9.1884 9.1884 9.3238 9.3238 10.3131 10.3131 11.9131 11.9131 13.1249 13.1249 13.3068 13.3068 15.1342 15.1342 16.9541 16.9541 k = 0.4778 0.5000-0.0000 ( 2216 PWs) bands (ev): -72.2164 -72.2164 -41.0474 -41.0474 -36.5880 -36.5880 -36.5781 -36.5781 -28.7126 -28.7126 -10.0878 -10.0878 -9.7720 -9.7720 -9.5785 -9.5785 8.3669 8.3669 8.4249 8.4249 9.1861 9.1861 9.3214 9.3214 10.3229 10.3229 11.9400 11.9400 13.1357 13.1357 13.2852 13.2852 15.1282 15.1282 16.9625 16.9625 k = 0.4889 0.5000-0.0000 ( 2216 PWs) bands (ev): -72.2164 -72.2164 -41.0474 -41.0474 -36.5881 -36.5881 -36.5781 -36.5781 -28.7125 -28.7125 -10.0880 -10.0880 -9.7723 -9.7723 -9.5785 -9.5785 8.3646 8.3646 8.4239 8.4239 9.1846 9.1846 9.3199 9.3199 10.3289 10.3289 11.9572 11.9572 13.1359 13.1359 13.2778 13.2778 15.1242 15.1242 16.9664 16.9664 k = 0.5000 0.5000-0.0000 ( 2216 PWs) bands (ev): -72.2164 -72.2164 -41.0474 -41.0474 -36.5881 -36.5881 -36.5781 -36.5781 -28.7125 -28.7125 -10.0881 -10.0881 -9.7724 -9.7724 -9.5785 -9.5785 8.3638 8.3638 8.4236 8.4236 9.1842 9.1842 9.3194 9.3194 10.3309 10.3309 11.9631 11.9631 13.1346 13.1346 13.2766 13.2766 15.1228 15.1228 16.9675 16.9675 k = 0.5000 0.5000-0.0000 ( 2216 PWs) bands (ev): -72.2164 -72.2164 -41.0474 -41.0474 -36.5881 -36.5881 -36.5781 -36.5781 -28.7125 -28.7125 -10.0881 -10.0881 -9.7724 -9.7724 -9.5785 -9.5785 8.3638 8.3638 8.4236 8.4236 9.1842 9.1842 9.3194 9.3194 10.3309 10.3309 11.9631 11.9631 13.1346 13.1346 13.2766 13.2766 15.1228 15.1228 16.9675 16.9675 k = 0.4922 0.4922-0.0000 ( 2216 PWs) bands (ev): -72.2164 -72.2164 -41.0474 -41.0474 -36.5881 -36.5881 -36.5781 -36.5781 -28.7125 -28.7125 -10.0880 -10.0880 -9.7723 -9.7723 -9.5785 -9.5785 8.3646 8.3646 8.4239 8.4239 9.1846 9.1846 9.3199 9.3199 10.3289 10.3289 11.9572 11.9572 13.1362 13.1362 13.2775 13.2775 15.1242 15.1242 16.9664 16.9664 k = 0.4844 0.4844-0.0000 ( 2216 PWs) bands (ev): -72.2164 -72.2164 -41.0474 -41.0474 -36.5880 -36.5880 -36.5781 -36.5781 -28.7126 -28.7126 -10.0878 -10.0878 -9.7720 -9.7720 -9.5785 -9.5785 8.3668 8.3668 8.4249 8.4249 9.1860 9.1860 9.3213 9.3213 10.3231 10.3231 11.9396 11.9396 13.1411 13.1411 13.2803 13.2803 15.1282 15.1282 16.9625 16.9625 k = 0.4766 0.4766-0.0000 ( 2216 PWs) bands (ev): -72.2164 -72.2164 -41.0473 -41.0473 -36.5880 -36.5880 -36.5781 -36.5781 -28.7127 -28.7127 -10.0874 -10.0874 -9.7714 -9.7714 -9.5786 -9.5786 8.3704 8.3704 8.4266 8.4266 9.1884 9.1884 9.3237 9.3237 10.3134 10.3134 11.9106 11.9106 13.1490 13.1490 13.2852 13.2852 15.1345 15.1345 16.9544 16.9544 k = 0.4688 0.4687-0.0000 ( 2218 PWs) bands (ev): -72.2164 -72.2164 -41.0473 -41.0473 -36.5880 -36.5880 -36.5780 -36.5780 -28.7128 -28.7128 -10.0868 -10.0868 -9.7707 -9.7707 -9.5787 -9.5787 8.3751 8.3751 8.4290 8.4290 9.1916 9.1916 9.3271 9.3271 10.3001 10.3001 11.8707 11.8707 13.1595 13.1595 13.2924 13.2924 15.1427 15.1427 16.9410 16.9410 k = 0.4609 0.4609-0.0000 ( 2218 PWs) bands (ev): -72.2164 -72.2164 -41.0473 -41.0473 -36.5879 -36.5879 -36.5780 -36.5780 -28.7130 -28.7130 -10.0861 -10.0861 -9.7698 -9.7698 -9.5788 -9.5788 8.3811 8.3811 8.4323 8.4323 9.1957 9.1957 9.3314 9.3314 10.2831 10.2831 11.8207 11.8207 13.1721 13.1721 13.3025 13.3025 15.1523 15.1523 16.9228 16.9228 k = 0.4531 0.4531-0.0000 ( 2218 PWs) bands (ev): -72.2164 -72.2164 -41.0473 -41.0473 -36.5878 -36.5878 -36.5780 -36.5780 -28.7132 -28.7132 -10.0852 -10.0852 -9.7686 -9.7686 -9.5789 -9.5789 8.3877 8.3877 8.4367 8.4367 9.2007 9.2007 9.3366 9.3366 10.2628 10.2628 11.7612 11.7612 13.1863 13.1863 13.3158 13.3158 15.1627 15.1627 16.9002 16.9002 k = 0.4453 0.4453-0.0000 ( 2222 PWs) bands (ev): -72.2164 -72.2164 -41.0472 -41.0472 -36.5877 -36.5877 -36.5780 -36.5780 -28.7135 -28.7135 -10.0841 -10.0841 -9.7673 -9.7673 -9.5790 -9.5790 8.3948 8.3948 8.4425 8.4425 9.2064 9.2064 9.3427 9.3427 10.2392 10.2392 11.6933 11.6933 13.2015 13.2015 13.3328 13.3328 15.1731 15.1731 16.8737 16.8737 k = 0.4375 0.4375-0.0000 ( 2230 PWs) bands (ev): -72.2164 -72.2164 -41.0472 -41.0472 -36.5876 -36.5876 -36.5780 -36.5780 -28.7138 -28.7138 -10.0830 -10.0830 -9.7657 -9.7657 -9.5792 -9.5792 8.4016 8.4016 8.4500 8.4500 9.2128 9.2128 9.3497 9.3497 10.2126 10.2126 11.6177 11.6177 13.2174 13.2174 13.3535 13.3535 15.1831 15.1831 16.8437 16.8437 k = 0.4297 0.4297-0.0000 ( 2228 PWs) bands (ev): -72.2164 -72.2164 -41.0471 -41.0471 -36.5875 -36.5875 -36.5779 -36.5779 -28.7142 -28.7142 -10.0816 -10.0816 -9.7640 -9.7640 -9.5794 -9.5794 8.4080 8.4080 8.4597 8.4597 9.2200 9.2200 9.3576 9.3576 10.1835 10.1835 11.5354 11.5354 13.2338 13.2338 13.3780 13.3780 15.1920 15.1920 16.8108 16.8108 k = 0.4219 0.4219-0.0000 ( 2228 PWs) bands (ev): -72.2164 -72.2164 -41.0471 -41.0471 -36.5874 -36.5874 -36.5779 -36.5779 -28.7146 -28.7146 -10.0801 -10.0801 -9.7620 -9.7620 -9.5796 -9.5796 8.4134 8.4134 8.4715 8.4715 9.2279 9.2279 9.3664 9.3664 10.1519 10.1519 11.4474 11.4474 13.2507 13.2507 13.4061 13.4061 15.1995 15.1995 16.7752 16.7752 k = 0.4141 0.4141-0.0000 ( 2224 PWs) bands (ev): -72.2164 -72.2164 -41.0470 -41.0470 -36.5872 -36.5872 -36.5779 -36.5779 -28.7150 -28.7150 -10.0784 -10.0784 -9.7599 -9.7599 -9.5797 -9.5797 8.4179 8.4179 8.4853 8.4853 9.2364 9.2364 9.3760 9.3760 10.1182 10.1182 11.3546 11.3546 13.2685 13.2685 13.4374 13.4374 15.2052 15.2052 16.7374 16.7374 k = 0.4062 0.4062-0.0000 ( 2232 PWs) bands (ev): -72.2165 -72.2165 -41.0470 -41.0470 -36.5870 -36.5870 -36.5779 -36.5779 -28.7155 -28.7155 -10.0767 -10.0767 -9.7576 -9.7576 -9.5799 -9.5799 8.4214 8.4214 8.5008 8.5008 9.2453 9.2453 9.3862 9.3862 10.0824 10.0824 11.2577 11.2577 13.2872 13.2872 13.4714 13.4714 15.2087 15.2087 16.6976 16.6976 k = 0.3984 0.3984-0.0000 ( 2232 PWs) bands (ev): -72.2165 -72.2165 -41.0469 -41.0469 -36.5869 -36.5869 -36.5778 -36.5778 -28.7160 -28.7160 -10.0747 -10.0747 -9.7550 -9.7550 -9.5802 -9.5802 8.4242 8.4242 8.5177 8.5177 9.2548 9.2548 9.3970 9.3970 10.0452 10.0452 11.1576 11.1576 13.3072 13.3072 13.5077 13.5077 15.2100 15.2100 16.6564 16.6564 k = 0.3906 0.3906-0.0000 ( 2232 PWs) bands (ev): -72.2165 -72.2165 -41.0468 -41.0468 -36.5867 -36.5867 -36.5778 -36.5778 -28.7165 -28.7165 -10.0726 -10.0726 -9.7523 -9.7523 -9.5804 -9.5804 8.4261 8.4261 8.5357 8.5357 9.2649 9.2649 9.4084 9.4084 10.0066 10.0066 11.0552 11.0552 13.3287 13.3287 13.5459 13.5459 15.2091 15.2091 16.6142 16.6142 k = 0.3828 0.3828-0.0000 ( 2232 PWs) bands (ev): -72.2165 -72.2165 -41.0467 -41.0467 -36.5865 -36.5865 -36.5777 -36.5777 -28.7171 -28.7171 -10.0704 -10.0704 -9.7494 -9.7494 -9.5806 -9.5806 8.4271 8.4271 8.5547 8.5547 9.2752 9.2752 9.4200 9.4200 9.9669 9.9669 10.9513 10.9513 13.3519 13.3519 13.5855 13.5855 15.2061 15.2061 16.5713 16.5713 k = 0.3750 0.3750-0.0000 ( 2226 PWs) bands (ev): -72.2165 -72.2165 -41.0467 -41.0467 -36.5863 -36.5863 -36.5777 -36.5777 -28.7177 -28.7177 -10.0681 -10.0681 -9.7463 -9.7463 -9.5808 -9.5808 8.4272 8.4272 8.5743 8.5743 9.2861 9.2861 9.4318 9.4318 9.9266 9.9266 10.8464 10.8464 13.3770 13.3770 13.6263 13.6263 15.2010 15.2010 16.5281 16.5281 k = 0.3672 0.3672-0.0000 ( 2226 PWs) bands (ev): -72.2165 -72.2165 -41.0466 -41.0466 -36.5861 -36.5861 -36.5776 -36.5776 -28.7183 -28.7183 -10.0656 -10.0656 -9.7430 -9.7430 -9.5810 -9.5810 8.4261 8.4261 8.5942 8.5942 9.2972 9.2972 9.4433 9.4433 9.8859 9.8859 10.7415 10.7415 13.4041 13.4041 13.6679 13.6679 15.1940 15.1940 16.4850 16.4850 k = 0.3594 0.3594-0.0000 ( 2238 PWs) bands (ev): -72.2166 -72.2166 -41.0465 -41.0465 -36.5858 -36.5858 -36.5776 -36.5776 -28.7190 -28.7190 -10.0630 -10.0630 -9.7396 -9.7396 -9.5812 -9.5812 8.4237 8.4237 8.6142 8.6142 9.3086 9.3086 9.4540 9.4540 9.8453 9.8453 10.6372 10.6372 13.4334 13.4334 13.7100 13.7100 15.1855 15.1855 16.4423 16.4423 k = 0.3516 0.3516-0.0000 ( 2238 PWs) bands (ev): -72.2166 -72.2166 -41.0464 -41.0464 -36.5856 -36.5856 -36.5775 -36.5775 -28.7197 -28.7197 -10.0603 -10.0603 -9.7360 -9.7360 -9.5813 -9.5813 8.4197 8.4197 8.6342 8.6342 9.3203 9.3203 9.4633 9.4633 9.8057 9.8057 10.5344 10.5344 13.4649 13.4649 13.7525 13.7525 15.1756 15.1756 16.4005 16.4005 k = 0.3438 0.3437-0.0000 ( 2244 PWs) bands (ev): -72.2166 -72.2166 -41.0463 -41.0463 -36.5853 -36.5853 -36.5775 -36.5775 -28.7205 -28.7205 -10.0575 -10.0575 -9.7322 -9.7322 -9.5815 -9.5815 8.4140 8.4140 8.6536 8.6536 9.3323 9.3323 9.4702 9.4702 9.7679 9.7679 10.4339 10.4339 13.4987 13.4987 13.7952 13.7952 15.1648 15.1648 16.3598 16.3598 k = 0.3359 0.3359-0.0000 ( 2248 PWs) bands (ev): -72.2166 -72.2166 -41.0462 -41.0462 -36.5851 -36.5851 -36.5774 -36.5774 -28.7212 -28.7212 -10.0546 -10.0546 -9.7283 -9.7283 -9.5816 -9.5816 8.4063 8.4063 8.6725 8.6725 9.3446 9.3446 9.4728 9.4728 9.7335 9.7335 10.3365 10.3365 13.5350 13.5350 13.8377 13.8377 15.1535 15.1535 16.3207 16.3207 k = 0.3281 0.3281-0.0000 ( 2252 PWs) bands (ev): -72.2167 -72.2167 -41.0461 -41.0461 -36.5848 -36.5848 -36.5774 -36.5774 -28.7220 -28.7220 -10.0516 -10.0516 -9.7242 -9.7242 -9.5817 -9.5817 8.3961 8.3961 8.6904 8.6904 9.3571 9.3571 9.4692 9.4692 9.7045 9.7045 10.2432 10.2432 13.5736 13.5736 13.8800 13.8800 15.1419 15.1419 16.2834 16.2834 k = 0.3203 0.3203-0.0000 ( 2248 PWs) bands (ev): -72.2167 -72.2167 -41.0460 -41.0460 -36.5846 -36.5846 -36.5773 -36.5773 -28.7228 -28.7228 -10.0484 -10.0484 -9.7200 -9.7200 -9.5818 -9.5818 8.3833 8.3833 8.7071 8.7071 9.3698 9.3698 9.4569 9.4569 9.6830 9.6830 10.1550 10.1550 13.6146 13.6146 13.9218 13.9218 15.1306 15.1306 16.2482 16.2482 k = 0.3125 0.3125-0.0000 ( 2244 PWs) bands (ev): -72.2167 -72.2167 -41.0459 -41.0459 -36.5843 -36.5843 -36.5773 -36.5773 -28.7237 -28.7237 -10.0452 -10.0452 -9.7157 -9.7157 -9.5819 -9.5819 8.3674 8.3674 8.7221 8.7221 9.3827 9.3827 9.4349 9.4349 9.6699 9.6699 10.0731 10.0731 13.6580 13.6580 13.9631 13.9631 15.1199 15.1199 16.2154 16.2154 k = 0.3047 0.3047-0.0000 ( 2248 PWs) bands (ev): -72.2167 -72.2167 -41.0457 -41.0457 -36.5840 -36.5840 -36.5772 -36.5772 -28.7245 -28.7245 -10.0420 -10.0420 -9.7112 -9.7112 -9.5819 -9.5819 8.3479 8.3479 8.7351 8.7351 9.3955 9.3955 9.4041 9.4041 9.6636 9.6636 9.9987 9.9987 13.7037 13.7037 14.0037 14.0037 15.1103 15.1103 16.1853 16.1853 k = 0.2969 0.2969-0.0000 ( 2246 PWs) bands (ev): -72.2167 -72.2167 -41.0456 -41.0456 -36.5837 -36.5837 -36.5771 -36.5771 -28.7254 -28.7254 -10.0386 -10.0386 -9.7067 -9.7067 -9.5819 -9.5819 8.3245 8.3245 8.7458 8.7458 9.3664 9.3664 9.4089 9.4089 9.6612 9.6612 9.9335 9.9335 13.7516 13.7516 14.0435 14.0435 15.1023 15.1023 16.1581 16.1581 k = 0.2891 0.2891-0.0000 ( 2246 PWs) bands (ev): -72.2168 -72.2168 -41.0455 -41.0455 -36.5834 -36.5834 -36.5771 -36.5771 -28.7263 -28.7263 -10.0352 -10.0352 -9.7020 -9.7020 -9.5818 -9.5818 8.2966 8.2966 8.7540 8.7540 9.3247 9.3247 9.4221 9.4221 9.6593 9.6593 9.8790 9.8790 13.8014 13.8014 14.0825 14.0825 15.0962 15.0962 16.1341 16.1341 k = 0.2812 0.2812-0.0000 ( 2246 PWs) bands (ev): -72.2168 -72.2168 -41.0454 -41.0454 -36.5831 -36.5831 -36.5770 -36.5770 -28.7272 -28.7272 -10.0317 -10.0317 -9.6972 -9.6972 -9.5818 -9.5818 8.2641 8.2641 8.7593 8.7593 9.2806 9.2806 9.4354 9.4354 9.6547 9.6547 9.8376 9.8376 13.8530 13.8530 14.1204 14.1204 15.0927 15.0927 16.1135 16.1135 k = 0.2734 0.2734-0.0000 ( 2246 PWs) bands (ev): -72.2168 -72.2168 -41.0453 -41.0453 -36.5828 -36.5828 -36.5769 -36.5769 -28.7282 -28.7282 -10.0282 -10.0282 -9.6923 -9.6923 -9.5816 -9.5816 8.2265 8.2265 8.7616 8.7616 9.2355 9.2355 9.4488 9.4488 9.6447 9.6447 9.8108 9.8108 13.9060 13.9060 14.1574 14.1574 15.0923 15.0923 16.0965 16.0965 k = 0.2656 0.2656-0.0000 ( 2246 PWs) bands (ev): -72.2168 -72.2168 -41.0451 -41.0451 -36.5825 -36.5825 -36.5769 -36.5769 -28.7291 -28.7291 -10.0247 -10.0247 -9.6874 -9.6874 -9.5815 -9.5815 8.1839 8.1839 8.7610 8.7610 9.1906 9.1906 9.4622 9.4622 9.6295 9.6295 9.7975 9.7975 13.9600 13.9600 14.1932 14.1932 15.0955 15.0955 16.0832 16.0832 k = 0.2578 0.2578-0.0000 ( 2241 PWs) bands (ev): -72.2168 -72.2168 -41.0450 -41.0450 -36.5822 -36.5822 -36.5768 -36.5768 -28.7300 -28.7300 -10.0211 -10.0211 -9.6824 -9.6824 -9.5812 -9.5812 8.1361 8.1361 8.7574 8.7574 9.1464 9.1464 9.4756 9.4756 9.6122 9.6122 9.7942 9.7942 14.0145 14.0145 14.2280 14.2280 15.1030 15.1030 16.0740 16.0740 k = 0.2500 0.2500-0.0000 ( 2241 PWs) bands (ev): -72.2169 -72.2169 -41.0449 -41.0449 -36.5818 -36.5818 -36.5767 -36.5767 -28.7310 -28.7310 -10.0175 -10.0175 -9.6773 -9.6773 -9.5810 -9.5810 8.0835 8.0835 8.7510 8.7510 9.1035 9.1035 9.4889 9.4889 9.5957 9.5957 9.7967 9.7967 14.0690 14.0690 14.2616 14.2616 15.1155 15.1155 16.0687 16.0687 k = 0.2422 0.2422-0.0000 ( 2241 PWs) bands (ev): -72.2169 -72.2169 -41.0448 -41.0448 -36.5815 -36.5815 -36.5767 -36.5767 -28.7320 -28.7320 -10.0139 -10.0139 -9.6722 -9.6722 -9.5807 -9.5807 8.0265 8.0265 8.7424 8.7424 9.0620 9.0620 9.5021 9.5021 9.5819 9.5819 9.8023 9.8023 14.1227 14.1227 14.2940 14.2940 15.1338 15.1338 16.0677 16.0677 k = 0.2344 0.2344-0.0000 ( 2245 PWs) bands (ev): -72.2169 -72.2169 -41.0446 -41.0446 -36.5812 -36.5812 -36.5766 -36.5766 -28.7329 -28.7329 -10.0103 -10.0103 -9.6671 -9.6671 -9.5803 -9.5803 7.9657 7.9657 8.7317 8.7317 9.0221 9.0221 9.5152 9.5152 9.5714 9.5714 9.8096 9.8096 14.1750 14.1750 14.3253 14.3253 15.1584 15.1584 16.0709 16.0709 k = 0.2266 0.2266-0.0000 ( 2241 PWs) bands (ev): -72.2169 -72.2169 -41.0445 -41.0445 -36.5809 -36.5809 -36.5765 -36.5765 -28.7339 -28.7339 -10.0067 -10.0067 -9.6619 -9.6619 -9.5799 -9.5799 7.9017 7.9017 8.7195 8.7195 8.9836 8.9836 9.5281 9.5281 9.5645 9.5645 9.8177 9.8177 14.2252 14.2252 14.3553 14.3553 15.1901 15.1901 16.0786 16.0786 k = 0.2188 0.2187-0.0000 ( 2239 PWs) bands (ev): -72.2169 -72.2169 -41.0444 -41.0444 -36.5806 -36.5806 -36.5765 -36.5765 -28.7348 -28.7348 -10.0032 -10.0032 -9.6568 -9.6568 -9.5795 -9.5795 7.8352 7.8352 8.7061 8.7061 8.9466 8.9466 9.5405 9.5405 9.5608 9.5608 9.8259 9.8259 14.2726 14.2726 14.3842 14.3842 15.2294 15.2294 16.0907 16.0907 k = 0.2109 0.2109-0.0000 ( 2243 PWs) bands (ev): -72.2170 -72.2170 -41.0443 -41.0443 -36.5803 -36.5803 -36.5764 -36.5764 -28.7358 -28.7358 -9.9996 -9.9996 -9.6516 -9.6516 -9.5790 -9.5790 7.7669 7.7669 8.6918 8.6918 8.9107 8.9107 9.5519 9.5519 9.5605 9.5605 9.8340 9.8340 14.3169 14.3169 14.4118 14.4118 15.2767 15.2767 16.1072 16.1072 k = 0.2031 0.2031-0.0000 ( 2243 PWs) bands (ev): -72.2170 -72.2170 -41.0441 -41.0441 -36.5800 -36.5800 -36.5763 -36.5763 -28.7367 -28.7367 -9.9962 -9.9962 -9.6465 -9.6465 -9.5785 -9.5785 7.6975 7.6975 8.6769 8.6769 8.8759 8.8759 9.5584 9.5584 9.5670 9.5670 9.8419 9.8419 14.3576 14.3576 14.4384 14.4384 15.3322 15.3322 16.1281 16.1281 k = 0.1953 0.1953-0.0000 ( 2243 PWs) bands (ev): -72.2170 -72.2170 -41.0440 -41.0440 -36.5797 -36.5797 -36.5763 -36.5763 -28.7377 -28.7377 -9.9927 -9.9927 -9.6414 -9.6414 -9.5779 -9.5779 7.6276 7.6276 8.6616 8.6616 8.8422 8.8422 9.5619 9.5619 9.5779 9.5779 9.8494 9.8494 14.3948 14.3948 14.4638 14.4638 15.3957 15.3957 16.1536 16.1536 k = 0.1875 0.1875-0.0000 ( 2243 PWs) bands (ev): -72.2170 -72.2170 -41.0439 -41.0439 -36.5794 -36.5794 -36.5762 -36.5762 -28.7386 -28.7386 -9.9893 -9.9893 -9.6364 -9.6364 -9.5773 -9.5773 7.5577 7.5577 8.6460 8.6460 8.8096 8.8096 9.5663 9.5663 9.5889 9.5889 9.8564 9.8564 14.4285 14.4285 14.4880 14.4880 15.4668 15.4668 16.1835 16.1835 k = 0.1797 0.1797-0.0000 ( 2243 PWs) bands (ev): -72.2171 -72.2171 -41.0438 -41.0438 -36.5791 -36.5791 -36.5761 -36.5761 -28.7395 -28.7395 -9.9860 -9.9860 -9.6314 -9.6314 -9.5767 -9.5767 7.4884 7.4884 8.6303 8.6303 8.7780 8.7780 9.5717 9.5717 9.5994 9.5994 9.8630 9.8630 14.4591 14.4591 14.5111 14.5111 15.5450 15.5450 16.2178 16.2178 k = 0.1719 0.1719-0.0000 ( 2237 PWs) bands (ev): -72.2171 -72.2171 -41.0437 -41.0437 -36.5788 -36.5788 -36.5761 -36.5761 -28.7404 -28.7404 -9.9828 -9.9828 -9.6265 -9.6265 -9.5760 -9.5760 7.4200 7.4200 8.6146 8.6146 8.7477 8.7477 9.5777 9.5777 9.6094 9.6094 9.8692 9.8692 14.4869 14.4869 14.5332 14.5332 15.6295 15.6295 16.2563 16.2563 k = 0.1641 0.1641-0.0000 ( 2237 PWs) bands (ev): -72.2171 -72.2171 -41.0436 -41.0436 -36.5785 -36.5785 -36.5760 -36.5760 -28.7413 -28.7413 -9.9796 -9.9796 -9.6217 -9.6217 -9.5753 -9.5753 7.3529 7.3529 8.5990 8.5990 8.7182 8.7182 9.5843 9.5843 9.6188 9.6188 9.8749 9.8749 14.5122 14.5122 14.5542 14.5542 15.7198 15.7198 16.2991 16.2991 k = 0.1562 0.1562-0.0000 ( 2237 PWs) bands (ev): -72.2171 -72.2171 -41.0435 -41.0435 -36.5782 -36.5782 -36.5759 -36.5759 -28.7421 -28.7421 -9.9766 -9.9766 -9.6170 -9.6170 -9.5746 -9.5746 7.2874 7.2874 8.5835 8.5835 8.6899 8.6899 9.5912 9.5912 9.6275 9.6275 9.8801 9.8801 14.5355 14.5355 14.5742 14.5742 15.8149 15.8149 16.3459 16.3459 k = 0.1484 0.1484-0.0000 ( 2239 PWs) bands (ev): -72.2171 -72.2171 -41.0434 -41.0434 -36.5780 -36.5780 -36.5759 -36.5759 -28.7430 -28.7430 -9.9736 -9.9736 -9.6124 -9.6124 -9.5739 -9.5739 7.2239 7.2239 8.5683 8.5683 8.6628 8.6628 9.5983 9.5983 9.6354 9.6354 9.8850 9.8850 14.5571 14.5571 14.5931 14.5931 15.9140 15.9140 16.3967 16.3967 k = 0.1406 0.1406-0.0000 ( 2235 PWs) bands (ev): -72.2171 -72.2171 -41.0433 -41.0433 -36.5777 -36.5777 -36.5758 -36.5758 -28.7438 -28.7438 -9.9708 -9.9708 -9.6080 -9.6080 -9.5732 -9.5732 7.1626 7.1626 8.5533 8.5533 8.6368 8.6368 9.6055 9.6055 9.6427 9.6427 9.8896 9.8896 14.5773 14.5773 14.6110 14.6110 16.0166 16.0166 16.4512 16.4512 k = 0.1328 0.1328-0.0000 ( 2231 PWs) bands (ev): -72.2171 -72.2171 -41.0432 -41.0432 -36.5775 -36.5775 -36.5758 -36.5758 -28.7445 -28.7445 -9.9681 -9.9681 -9.6036 -9.6036 -9.5724 -9.5724 7.1036 7.1036 8.5388 8.5388 8.6121 8.6121 9.6126 9.6126 9.6492 9.6492 9.8938 9.8938 14.5963 14.5963 14.6280 14.6280 16.1217 16.1217 16.5094 16.5094 k = 0.1250 0.1250-0.0000 ( 2225 PWs) bands (ev): -72.2171 -72.2171 -41.0431 -41.0431 -36.5772 -36.5772 -36.5757 -36.5757 -28.7453 -28.7453 -9.9655 -9.9655 -9.5995 -9.5995 -9.5717 -9.5717 7.0473 7.0473 8.5246 8.5246 8.5886 8.5886 9.6196 9.6196 9.6550 9.6550 9.8979 9.8979 14.6142 14.6142 14.6440 14.6440 16.2287 16.2287 16.5709 16.5709 k = 0.1172 0.1172-0.0000 ( 2227 PWs) bands (ev): -72.2172 -72.2172 -41.0430 -41.0430 -36.5770 -36.5770 -36.5757 -36.5757 -28.7460 -28.7460 -9.9630 -9.9630 -9.5955 -9.5955 -9.5709 -9.5709 6.9936 6.9936 8.5109 8.5109 8.5663 8.5663 9.6264 9.6264 9.6600 9.6600 9.9016 9.9016 14.6312 14.6312 14.6589 14.6589 16.3369 16.3369 16.6355 16.6355 k = 0.1094 0.1094-0.0000 ( 2235 PWs) bands (ev): -72.2172 -72.2172 -41.0429 -41.0429 -36.5768 -36.5768 -36.5756 -36.5756 -28.7467 -28.7467 -9.9607 -9.9607 -9.5917 -9.5917 -9.5702 -9.5702 6.9429 6.9429 8.4977 8.4977 8.5453 8.5453 9.6328 9.6328 9.6642 9.6642 9.9051 9.9051 14.6473 14.6473 14.6729 14.6729 16.4454 16.4454 16.7028 16.7028 k = 0.1016 0.1016-0.0000 ( 2229 PWs) bands (ev): -72.2172 -72.2172 -41.0428 -41.0428 -36.5766 -36.5766 -36.5756 -36.5756 -28.7473 -28.7473 -9.9585 -9.9585 -9.5882 -9.5882 -9.5695 -9.5695 6.8952 6.8952 8.4853 8.4853 8.5257 8.5257 9.6390 9.6390 9.6678 9.6678 9.9085 9.9085 14.6626 14.6626 14.6860 14.6860 16.5537 16.5537 16.7727 16.7727 k = 0.0938 0.0937-0.0000 ( 2229 PWs) bands (ev): -72.2172 -72.2172 -41.0427 -41.0427 -36.5764 -36.5764 -36.5755 -36.5755 -28.7479 -28.7479 -9.9564 -9.9564 -9.5848 -9.5848 -9.5688 -9.5688 6.8506 6.8506 8.4734 8.4734 8.5074 8.5074 9.6448 9.6448 9.6708 9.6708 9.9117 9.9117 14.6770 14.6770 14.6980 14.6980 16.6608 16.6608 16.8446 16.8446 k = 0.0859 0.0859-0.0000 ( 2227 PWs) bands (ev): -72.2172 -72.2172 -41.0427 -41.0427 -36.5762 -36.5762 -36.5755 -36.5755 -28.7485 -28.7485 -9.9545 -9.9545 -9.5816 -9.5816 -9.5682 -9.5682 6.8092 6.8092 8.4623 8.4623 8.4905 8.4905 9.6502 9.6502 9.6732 9.6732 9.9146 9.9146 14.6905 14.6905 14.7091 14.7091 16.7658 16.7658 16.9181 16.9181 k = 0.0781 0.0781-0.0000 ( 2227 PWs) bands (ev): -72.2172 -72.2172 -41.0426 -41.0426 -36.5761 -36.5761 -36.5755 -36.5755 -28.7490 -28.7490 -9.9528 -9.9528 -9.5787 -9.5787 -9.5676 -9.5676 6.7712 6.7712 8.4520 8.4520 8.4750 8.4750 9.6552 9.6552 9.6751 9.6751 9.9174 9.9174 14.7032 14.7032 14.7193 14.7193 16.8680 16.8680 16.9925 16.9925 k = 0.0703 0.0703-0.0000 ( 2227 PWs) bands (ev): -72.2172 -72.2172 -41.0426 -41.0426 -36.5759 -36.5759 -36.5754 -36.5754 -28.7494 -28.7494 -9.9512 -9.9512 -9.5760 -9.5760 -9.5670 -9.5670 6.7366 6.7366 8.4425 8.4425 8.4609 8.4609 9.6598 9.6598 9.6766 9.6766 9.9200 9.9200 14.7148 14.7148 14.7284 14.7284 16.9664 16.9664 17.0673 17.0673 k = 0.0625 0.0625-0.0000 ( 2237 PWs) bands (ev): -72.2173 -72.2173 -41.0425 -41.0425 -36.5758 -36.5758 -36.5754 -36.5754 -28.7499 -28.7499 -9.9497 -9.9497 -9.5736 -9.5736 -9.5664 -9.5664 6.7054 6.7054 8.4338 8.4338 8.4481 8.4481 9.6639 9.6639 9.6776 9.6776 9.9222 9.9222 14.7255 14.7255 14.7367 14.7367 17.0599 17.0599 17.1412 17.1412 k = 0.0547 0.0547-0.0000 ( 2245 PWs) bands (ev): -72.2173 -72.2173 -41.0425 -41.0425 -36.5757 -36.5757 -36.5754 -36.5754 -28.7502 -28.7502 -9.9485 -9.9485 -9.5715 -9.5715 -9.5660 -9.5660 6.6778 6.6778 8.4260 8.4260 8.4368 8.4368 9.6675 9.6675 9.6783 9.6783 9.9243 9.9243 14.7351 14.7351 14.7439 14.7439 17.1475 17.1475 17.2132 17.2132 k = 0.0469 0.0469-0.0000 ( 2243 PWs) bands (ev): -72.2173 -72.2173 -41.0424 -41.0424 -36.5756 -36.5756 -36.5754 -36.5754 -28.7506 -28.7506 -9.9474 -9.9474 -9.5696 -9.5696 -9.5655 -9.5655 6.6537 6.6537 8.4192 8.4192 8.4271 8.4271 9.6707 9.6707 9.6788 9.6788 9.9262 9.9262 14.7435 14.7435 14.7502 14.7502 17.2282 17.2282 17.2818 17.2818 k = 0.0391 0.0391-0.0000 ( 2249 PWs) bands (ev): -72.2173 -72.2173 -41.0424 -41.0424 -36.5755 -36.5755 -36.5753 -36.5753 -28.7509 -28.7509 -9.9464 -9.9464 -9.5680 -9.5680 -9.5652 -9.5652 6.6333 6.6333 8.4134 8.4134 8.4188 8.4188 9.6734 9.6734 9.6791 9.6791 9.9278 9.9278 14.7508 14.7508 14.7555 14.7555 17.3008 17.3008 17.3447 17.3447 k = 0.0312 0.0312-0.0000 ( 2245 PWs) bands (ev): -72.2173 -72.2173 -41.0424 -41.0424 -36.5754 -36.5754 -36.5753 -36.5753 -28.7511 -28.7511 -9.9457 -9.9457 -9.5667 -9.5667 -9.5649 -9.5649 6.6166 6.6166 8.4086 8.4086 8.4120 8.4120 9.6757 9.6757 9.6794 9.6794 9.9292 9.9292 14.7568 14.7568 14.7599 14.7599 17.3641 17.3641 17.3996 17.3996 k = 0.0234 0.0234-0.0000 ( 2245 PWs) bands (ev): -72.2173 -72.2173 -41.0424 -41.0424 -36.5754 -36.5754 -36.5753 -36.5753 -28.7513 -28.7513 -9.9451 -9.9451 -9.5656 -9.5656 -9.5646 -9.5646 6.6035 6.6035 8.4049 8.4049 8.4068 8.4068 9.6774 9.6774 9.6795 9.6795 9.9302 9.9302 14.7616 14.7616 14.7633 14.7633 17.4164 17.4164 17.4437 17.4437 k = 0.0156 0.0156-0.0000 ( 2245 PWs) bands (ev): -72.2173 -72.2173 -41.0423 -41.0423 -36.5753 -36.5753 -36.5753 -36.5753 -28.7514 -28.7514 -9.9447 -9.9447 -9.5649 -9.5649 -9.5644 -9.5644 6.5942 6.5942 8.4022 8.4022 8.4030 8.4030 9.6787 9.6787 9.6796 9.6796 9.9310 9.9310 14.7650 14.7650 14.7657 14.7657 17.4559 17.4559 17.4730 17.4730 k = 0.0078 0.0078-0.0000 ( 2235 PWs) bands (ev): -72.2173 -72.2173 -41.0423 -41.0423 -36.5753 -36.5753 -36.5753 -36.5753 -28.7515 -28.7515 -9.9444 -9.9444 -9.5645 -9.5645 -9.5643 -9.5643 6.5885 6.5885 8.4007 8.4007 8.4008 8.4008 9.6795 9.6795 9.6797 9.6797 9.9315 9.9315 14.7672 14.7672 14.7672 14.7672 17.4805 17.4805 17.4859 17.4859 k = 0.0000 0.0000 0.0000 ( 2205 PWs) bands (ev): -72.2172 -72.2172 -41.0423 -41.0423 -36.5753 -36.5753 -36.5753 -36.5753 -28.7515 -28.7515 -9.9443 -9.9443 -9.5643 -9.5643 -9.5643 -9.5643 6.5867 6.5867 8.4003 8.4003 8.4003 8.4003 9.6800 9.6800 9.6800 9.6800 9.9319 9.9319 14.7680 14.7680 14.7680 14.7680 17.4889 17.4889 17.4889 17.4889 k = 0.0000 0.0000 0.0000 ( 2205 PWs) bands (ev): -72.2172 -72.2172 -41.0423 -41.0423 -36.5753 -36.5753 -36.5753 -36.5753 -28.7515 -28.7515 -9.9443 -9.9443 -9.5643 -9.5643 -9.5643 -9.5643 6.5867 6.5867 8.4003 8.4003 8.4003 8.4003 9.6800 9.6800 9.6800 9.6800 9.9319 9.9319 14.7680 14.7680 14.7680 14.7680 17.4889 17.4889 17.4889 17.4889 k = 0.0064 0.0064 0.0064 ( 2235 PWs) bands (ev): -72.2173 -72.2173 -41.0423 -41.0423 -36.5753 -36.5753 -36.5753 -36.5753 -28.7515 -28.7515 -9.9444 -9.9444 -9.5644 -9.5644 -9.5644 -9.5644 6.5886 6.5886 8.4007 8.4007 8.4007 8.4007 9.6795 9.6795 9.6797 9.6797 9.9316 9.9316 14.7672 14.7672 14.7672 14.7672 17.4802 17.4802 17.4862 17.4862 k = 0.0128 0.0128 0.0128 ( 2247 PWs) bands (ev): -72.2173 -72.2173 -41.0423 -41.0423 -36.5753 -36.5753 -36.5753 -36.5753 -28.7514 -28.7514 -9.9447 -9.9447 -9.5647 -9.5647 -9.5646 -9.5646 6.5942 6.5942 8.4026 8.4026 8.4027 8.4027 9.6786 9.6786 9.6795 9.6795 9.9309 9.9309 14.7653 14.7653 14.7654 14.7654 17.4526 17.4526 17.4780 17.4780 k = 0.0192 0.0192 0.0192 ( 2253 PWs) bands (ev): -72.2173 -72.2173 -41.0424 -41.0424 -36.5754 -36.5754 -36.5753 -36.5753 -28.7513 -28.7513 -9.9451 -9.9451 -9.5653 -9.5653 -9.5650 -9.5650 6.6037 6.6037 8.4057 8.4057 8.4060 8.4060 9.6774 9.6774 9.6793 9.6793 9.9301 9.9301 14.7624 14.7624 14.7624 14.7624 17.4060 17.4060 17.4645 17.4645 k = 0.0256 0.0256 0.0256 ( 2253 PWs) bands (ev): -72.2173 -72.2173 -41.0424 -41.0424 -36.5754 -36.5754 -36.5754 -36.5754 -28.7511 -28.7511 -9.9457 -9.9457 -9.5660 -9.5660 -9.5656 -9.5656 6.6169 6.6169 8.4101 8.4101 8.4107 8.4107 9.6757 9.6757 9.6791 9.6791 9.9290 9.9290 14.7583 14.7583 14.7584 14.7584 17.3432 17.3432 17.4460 17.4460 k = 0.0321 0.0321 0.0321 ( 2253 PWs) bands (ev): -72.2173 -72.2173 -41.0424 -41.0424 -36.5754 -36.5754 -36.5754 -36.5754 -28.7509 -28.7509 -9.9465 -9.9465 -9.5669 -9.5669 -9.5663 -9.5663 6.6338 6.6338 8.4158 8.4158 8.4167 8.4167 9.6735 9.6735 9.6788 9.6788 9.9277 9.9277 14.7532 14.7532 14.7533 14.7533 17.2674 17.2674 17.4226 17.4226 k = 0.0385 0.0385 0.0385 ( 2247 PWs) bands (ev): -72.2173 -72.2173 -41.0424 -41.0424 -36.5755 -36.5755 -36.5755 -36.5755 -28.7506 -28.7506 -9.9474 -9.9474 -9.5681 -9.5681 -9.5672 -9.5672 6.6544 6.6544 8.4227 8.4227 8.4240 8.4240 9.6709 9.6709 9.6784 9.6784 9.9261 9.9261 14.7471 14.7471 14.7473 14.7473 17.1817 17.1817 17.3948 17.3948 k = 0.0449 0.0449 0.0449 ( 2244 PWs) bands (ev): -72.2173 -72.2173 -41.0425 -41.0425 -36.5756 -36.5756 -36.5755 -36.5755 -28.7502 -28.7502 -9.9485 -9.9485 -9.5694 -9.5694 -9.5682 -9.5682 6.6787 6.6787 8.4308 8.4308 8.4326 8.4326 9.6678 9.6678 9.6776 9.6776 9.9241 9.9241 14.7401 14.7401 14.7404 14.7404 17.0883 17.0883 17.3628 17.3628 k = 0.0513 0.0513 0.0513 ( 2244 PWs) bands (ev): -72.2173 -72.2173 -41.0425 -41.0425 -36.5756 -36.5756 -36.5756 -36.5756 -28.7499 -28.7499 -9.9498 -9.9498 -9.5709 -9.5709 -9.5694 -9.5694 6.7066 6.7066 8.4401 8.4401 8.4424 8.4424 9.6642 9.6642 9.6765 9.6765 9.9219 9.9219 14.7323 14.7323 14.7326 14.7326 16.9895 16.9895 17.3269 17.3269 k = 0.0577 0.0577 0.0577 ( 2232 PWs) bands (ev): -72.2172 -72.2172 -41.0426 -41.0426 -36.5757 -36.5757 -36.5757 -36.5757 -28.7494 -28.7494 -9.9512 -9.9512 -9.5726 -9.5726 -9.5707 -9.5707 6.7380 6.7380 8.4507 8.4507 8.4537 8.4537 9.6602 9.6602 9.6751 9.6751 9.9194 9.9194 14.7237 14.7237 14.7242 14.7242 16.8870 16.8870 17.2849 17.2849 k = 0.0641 0.0641 0.0641 ( 2232 PWs) bands (ev): -72.2172 -72.2172 -41.0426 -41.0426 -36.5758 -36.5758 -36.5758 -36.5758 -28.7489 -28.7489 -9.9527 -9.9527 -9.5745 -9.5745 -9.5721 -9.5721 6.7730 6.7730 8.4623 8.4623 8.4660 8.4660 9.6556 9.6556 9.6732 9.6732 9.9166 9.9166 14.7145 14.7145 14.7152 14.7152 16.7823 16.7823 17.2380 17.2380 k = 0.0705 0.0705 0.0705 ( 2226 PWs) bands (ev): -72.2172 -72.2172 -41.0427 -41.0427 -36.5759 -36.5759 -36.5759 -36.5759 -28.7484 -28.7484 -9.9544 -9.9544 -9.5766 -9.5766 -9.5737 -9.5737 6.8114 6.8114 8.4751 8.4751 8.4795 8.4795 9.6506 9.6506 9.6708 9.6708 9.9134 9.9134 14.7048 14.7048 14.7056 14.7056 16.6767 16.6767 17.1886 17.1886 k = 0.0769 0.0769 0.0769 ( 2229 PWs) bands (ev): -72.2172 -72.2172 -41.0427 -41.0427 -36.5760 -36.5760 -36.5760 -36.5760 -28.7478 -28.7478 -9.9563 -9.9563 -9.5788 -9.5788 -9.5755 -9.5755 6.8532 6.8532 8.4888 8.4888 8.4942 8.4942 9.6451 9.6451 9.6677 9.6677 9.9099 9.9099 14.6947 14.6947 14.6957 14.6957 16.5711 16.5711 17.1369 17.1369 k = 0.0833 0.0833 0.0833 ( 2235 PWs) bands (ev): -72.2172 -72.2172 -41.0428 -41.0428 -36.5761 -36.5761 -36.5761 -36.5761 -28.7472 -28.7472 -9.9583 -9.9583 -9.5812 -9.5812 -9.5774 -9.5774 6.8983 6.8983 8.5036 8.5036 8.5099 8.5099 9.6390 9.6390 9.6640 9.6640 9.9061 9.9061 14.6843 14.6843 14.6856 14.6856 16.4667 16.4667 17.0832 17.0832 k = 0.0897 0.0897 0.0897 ( 2235 PWs) bands (ev): -72.2172 -72.2172 -41.0429 -41.0429 -36.5763 -36.5763 -36.5762 -36.5762 -28.7466 -28.7466 -9.9604 -9.9604 -9.5837 -9.5837 -9.5794 -9.5794 6.9466 6.9466 8.5193 8.5193 8.5267 8.5267 9.6326 9.6326 9.6596 9.6596 9.9019 9.9019 14.6736 14.6736 14.6753 14.6753 16.3640 16.3640 17.0280 17.0280 k = 0.0962 0.0962 0.0962 ( 2235 PWs) bands (ev): -72.2172 -72.2172 -41.0430 -41.0430 -36.5764 -36.5764 -36.5763 -36.5763 -28.7459 -28.7459 -9.9627 -9.9627 -9.5863 -9.5863 -9.5816 -9.5816 6.9981 6.9981 8.5360 8.5360 8.5446 8.5446 9.6257 9.6257 9.6544 9.6544 9.8972 9.8972 14.6629 14.6629 14.6649 14.6649 16.2640 16.2640 16.9715 16.9715 k = 0.1026 0.1026 0.1026 ( 2235 PWs) bands (ev): -72.2172 -72.2172 -41.0431 -41.0431 -36.5766 -36.5766 -36.5765 -36.5765 -28.7451 -28.7451 -9.9650 -9.9650 -9.5891 -9.5891 -9.5839 -9.5839 7.0526 7.0526 8.5536 8.5536 8.5635 8.5635 9.6185 9.6185 9.6484 9.6484 9.8921 9.8921 14.6521 14.6521 14.6546 14.6546 16.1672 16.1672 16.9139 16.9139 k = 0.1090 0.1090 0.1090 ( 2241 PWs) bands (ev): -72.2172 -72.2172 -41.0432 -41.0432 -36.5767 -36.5767 -36.5766 -36.5766 -28.7444 -28.7444 -9.9675 -9.9675 -9.5920 -9.5920 -9.5863 -9.5863 7.1100 7.1100 8.5719 8.5719 8.5833 8.5833 9.6107 9.6107 9.6416 9.6416 9.8863 9.8863 14.6412 14.6412 14.6443 14.6443 16.0742 16.0742 16.8555 16.8555 k = 0.1154 0.1154 0.1154 ( 2241 PWs) bands (ev): -72.2171 -72.2171 -41.0433 -41.0433 -36.5769 -36.5769 -36.5768 -36.5768 -28.7436 -28.7436 -9.9701 -9.9701 -9.5950 -9.5950 -9.5888 -9.5888 7.1703 7.1703 8.5911 8.5911 8.6040 8.6040 9.6027 9.6027 9.6339 9.6339 9.8800 9.8800 14.6305 14.6305 14.6343 14.6343 15.9856 15.9856 16.7966 16.7966 k = 0.1218 0.1218 0.1218 ( 2244 PWs) bands (ev): -72.2171 -72.2171 -41.0434 -41.0434 -36.5771 -36.5771 -36.5769 -36.5769 -28.7427 -28.7427 -9.9728 -9.9728 -9.5980 -9.5980 -9.5914 -9.5914 7.2332 7.2332 8.6111 8.6111 8.6257 8.6257 9.5942 9.5942 9.6254 9.6254 9.8728 9.8728 14.6199 14.6199 14.6246 14.6246 15.9018 15.9018 16.7374 16.7374 k = 0.1282 0.1282 0.1282 ( 2244 PWs) bands (ev): -72.2171 -72.2171 -41.0435 -41.0435 -36.5772 -36.5772 -36.5771 -36.5771 -28.7419 -28.7419 -9.9756 -9.9756 -9.6012 -9.6012 -9.5942 -9.5942 7.2988 7.2988 8.6316 8.6316 8.6481 8.6481 9.5855 9.5855 9.6161 9.6161 9.8650 9.8650 14.6093 14.6093 14.6151 14.6151 15.8232 15.8232 16.6782 16.6782 k = 0.1346 0.1346 0.1346 ( 2244 PWs) bands (ev): -72.2171 -72.2171 -41.0436 -41.0436 -36.5774 -36.5774 -36.5772 -36.5772 -28.7410 -28.7410 -9.9784 -9.9784 -9.6045 -9.6045 -9.5970 -9.5970 7.3668 7.3668 8.6528 8.6528 8.6713 8.6713 9.5764 9.5764 9.6061 9.6061 9.8563 9.8563 14.5988 14.5988 14.6058 14.6058 15.7502 15.7502 16.6193 16.6193 k = 0.1410 0.1410 0.1410 ( 2244 PWs) bands (ev): -72.2171 -72.2171 -41.0437 -41.0437 -36.5776 -36.5776 -36.5774 -36.5774 -28.7400 -28.7400 -9.9814 -9.9814 -9.6078 -9.6078 -9.6000 -9.6000 7.4371 7.4371 8.6745 8.6745 8.6953 8.6953 9.5671 9.5671 9.5953 9.5953 9.8468 9.8468 14.5883 14.5883 14.5967 14.5967 15.6833 15.6833 16.5609 16.5609 k = 0.1474 0.1474 0.1474 ( 2244 PWs) bands (ev): -72.2170 -72.2170 -41.0439 -41.0439 -36.5778 -36.5778 -36.5776 -36.5776 -28.7391 -28.7391 -9.9844 -9.9844 -9.6111 -9.6111 -9.6030 -9.6030 7.5096 7.5096 8.6966 8.6966 8.7198 8.7198 9.5577 9.5577 9.5839 9.5839 9.8362 9.8362 14.5777 14.5777 14.5878 14.5878 15.6224 15.6224 16.5033 16.5033 k = 0.1538 0.1538 0.1538 ( 2244 PWs) bands (ev): -72.2170 -72.2170 -41.0440 -41.0440 -36.5780 -36.5780 -36.5778 -36.5778 -28.7381 -28.7381 -9.9875 -9.9875 -9.6146 -9.6146 -9.6061 -9.6061 7.5841 7.5841 8.7191 8.7191 8.7450 8.7450 9.5481 9.5481 9.5718 9.5718 9.8248 9.8248 14.5669 14.5669 14.5789 14.5789 15.5682 15.5682 16.4469 16.4469 k = 0.1603 0.1603 0.1603 ( 2244 PWs) bands (ev): -72.2170 -72.2170 -41.0441 -41.0441 -36.5782 -36.5782 -36.5780 -36.5780 -28.7371 -28.7371 -9.9906 -9.9906 -9.6180 -9.6180 -9.6094 -9.6094 7.6604 7.6604 8.7419 8.7419 8.7707 8.7707 9.5384 9.5384 9.5592 9.5592 9.8124 9.8124 14.5557 14.5557 14.5700 14.5700 15.5207 15.5207 16.3919 16.3919 k = 0.1667 0.1667 0.1667 ( 2232 PWs) bands (ev): -72.2170 -72.2170 -41.0442 -41.0442 -36.5784 -36.5784 -36.5782 -36.5782 -28.7360 -28.7360 -9.9938 -9.9938 -9.6215 -9.6215 -9.6126 -9.6126 7.7383 7.7383 8.7649 8.7649 8.7970 8.7970 9.5289 9.5289 9.5463 9.5463 9.7994 9.7994 14.5440 14.5440 14.5609 14.5609 15.4802 15.4802 16.3389 16.3389 k = 0.1731 0.1731 0.1731 ( 2232 PWs) bands (ev): -72.2169 -72.2169 -41.0444 -41.0444 -36.5786 -36.5786 -36.5784 -36.5784 -28.7350 -28.7350 -9.9970 -9.9970 -9.6250 -9.6250 -9.6160 -9.6160 7.8175 7.8175 8.7878 8.7878 8.8237 8.8237 9.5194 9.5194 9.5330 9.5330 9.7854 9.7854 14.5314 14.5314 14.5512 14.5512 15.4466 15.4466 16.2881 16.2881 k = 0.1795 0.1795 0.1795 ( 2244 PWs) bands (ev): -72.2169 -72.2169 -41.0445 -41.0445 -36.5788 -36.5788 -36.5786 -36.5786 -28.7339 -28.7339 -10.0003 -10.0003 -9.6286 -9.6286 -9.6194 -9.6194 7.8979 7.8979 8.8106 8.8106 8.8506 8.8506 9.5100 9.5100 9.5194 9.5194 9.7706 9.7706 14.5176 14.5176 14.5408 14.5408 15.4201 15.4201 16.2399 16.2399 k = 0.1859 0.1859 0.1859 ( 2256 PWs) bands (ev): -72.2169 -72.2169 -41.0447 -41.0447 -36.5791 -36.5791 -36.5788 -36.5788 -28.7329 -28.7329 -10.0036 -10.0036 -9.6321 -9.6321 -9.6229 -9.6229 7.9791 7.9791 8.8332 8.8332 8.8778 8.8778 9.5009 9.5009 9.5058 9.5058 9.7553 9.7553 14.5024 14.5024 14.5293 14.5293 15.4007 15.4007 16.1949 16.1949 k = 0.1923 0.1923 0.1923 ( 2244 PWs) bands (ev): -72.2169 -72.2169 -41.0448 -41.0448 -36.5793 -36.5793 -36.5790 -36.5790 -28.7318 -28.7318 -10.0069 -10.0069 -9.6357 -9.6357 -9.6265 -9.6265 8.0608 8.0608 8.8556 8.8556 8.9055 8.9055 9.4925 9.4925 9.4927 9.4927 9.7399 9.7399 14.4854 14.4854 14.5164 14.5164 15.3885 15.3885 16.1536 16.1536 k = 0.1987 0.1987 0.1987 ( 2244 PWs) bands (ev): -72.2169 -72.2169 -41.0449 -41.0449 -36.5795 -36.5795 -36.5793 -36.5793 -28.7306 -28.7306 -10.0103 -10.0103 -9.6393 -9.6393 -9.6301 -9.6301 8.1425 8.1425 8.8774 8.8774 8.9335 8.9335 9.4795 9.4795 9.4849 9.4849 9.7243 9.7243 14.4662 14.4662 14.5017 14.5017 15.3833 15.3833 16.1163 16.1163 k = 0.2051 0.2051 0.2051 ( 2244 PWs) bands (ev): -72.2168 -72.2168 -41.0451 -41.0451 -36.5797 -36.5797 -36.5795 -36.5795 -28.7295 -28.7295 -10.0137 -10.0137 -9.6428 -9.6428 -9.6337 -9.6337 8.2237 8.2237 8.8985 8.8985 8.9617 8.9617 9.4670 9.4670 9.4781 9.4781 9.7089 9.7089 14.4445 14.4445 14.4849 14.4849 15.3852 15.3852 16.0836 16.0836 k = 0.2115 0.2115 0.2115 ( 2244 PWs) bands (ev): -72.2168 -72.2168 -41.0452 -41.0452 -36.5799 -36.5799 -36.5797 -36.5797 -28.7284 -28.7284 -10.0171 -10.0171 -9.6464 -9.6464 -9.6374 -9.6374 8.3037 8.3037 8.9187 8.9187 8.9903 8.9903 9.4552 9.4552 9.4724 9.4724 9.6943 9.6943 14.4200 14.4200 14.4654 14.4654 15.3940 15.3940 16.0558 16.0558 k = 0.2179 0.2179 0.2179 ( 2244 PWs) bands (ev): -72.2168 -72.2168 -41.0454 -41.0454 -36.5802 -36.5802 -36.5799 -36.5799 -28.7273 -28.7273 -10.0205 -10.0205 -9.6499 -9.6499 -9.6411 -9.6411 8.3818 8.3818 8.9376 8.9376 9.0193 9.0193 9.4444 9.4444 9.4681 9.4681 9.6810 9.6810 14.3923 14.3923 14.4431 14.4431 15.4095 15.4095 16.0333 16.0333 k = 0.2244 0.2244 0.2244 ( 2238 PWs) bands (ev): -72.2167 -72.2167 -41.0455 -41.0455 -36.5804 -36.5804 -36.5801 -36.5801 -28.7261 -28.7261 -10.0239 -10.0239 -9.6535 -9.6535 -9.6448 -9.6448 8.4570 8.4570 8.9552 8.9552 9.0492 9.0492 9.4347 9.4347 9.4654 9.4654 9.6697 9.6697 14.3612 14.3612 14.4175 14.4175 15.4317 15.4317 16.0165 16.0165 k = 0.2308 0.2308 0.2308 ( 2244 PWs) bands (ev): -72.2167 -72.2167 -41.0457 -41.0457 -36.5806 -36.5806 -36.5804 -36.5804 -28.7250 -28.7250 -10.0273 -10.0273 -9.6570 -9.6570 -9.6485 -9.6485 8.5279 8.5279 8.9710 8.9710 9.0799 9.0799 9.4260 9.4260 9.4645 9.4645 9.6613 9.6613 14.3266 14.3266 14.3883 14.3883 15.4603 15.4603 16.0055 16.0055 k = 0.2372 0.2372 0.2372 ( 2238 PWs) bands (ev): -72.2167 -72.2167 -41.0458 -41.0458 -36.5808 -36.5808 -36.5806 -36.5806 -28.7239 -28.7239 -10.0307 -10.0307 -9.6605 -9.6605 -9.6523 -9.6523 8.5931 8.5931 8.9849 8.9849 9.1124 9.1124 9.4185 9.4185 9.4659 9.4659 9.6570 9.6570 14.2884 14.2884 14.3555 14.3555 15.4952 15.4952 16.0004 16.0004 k = 0.2436 0.2436 0.2436 ( 2238 PWs) bands (ev): -72.2167 -72.2167 -41.0460 -41.0460 -36.5811 -36.5811 -36.5808 -36.5808 -28.7227 -28.7227 -10.0341 -10.0341 -9.6639 -9.6639 -9.6561 -9.6561 8.6512 8.6512 8.9968 8.9968 9.1466 9.1466 9.4119 9.4119 9.4695 9.4695 9.6582 9.6582 14.2466 14.2466 14.3189 14.3189 15.5361 15.5361 16.0013 16.0014 k = 0.2500 0.2500 0.2500 ( 2238 PWs) bands (ev): -72.2166 -72.2166 -41.0461 -41.0461 -36.5813 -36.5813 -36.5811 -36.5811 -28.7216 -28.7216 -10.0375 -10.0375 -9.6674 -9.6674 -9.6598 -9.6598 8.7007 8.7007 9.0063 9.0063 9.1827 9.1827 9.4061 9.4061 9.4757 9.4757 9.6665 9.6665 14.2013 14.2013 14.2786 14.2786 15.5828 15.5828 16.0075 16.0080 k = 0.2564 0.2564 0.2564 ( 2238 PWs) bands (ev): -72.2166 -72.2166 -41.0463 -41.0463 -36.5815 -36.5815 -36.5813 -36.5813 -28.7204 -28.7204 -10.0409 -10.0409 -9.6708 -9.6708 -9.6636 -9.6636 8.7409 8.7409 9.0135 9.0135 9.2198 9.2198 9.4013 9.4013 9.4845 9.4845 9.6836 9.6836 14.1526 14.1526 14.2346 14.2346 15.6352 15.6352 16.0170 16.0172 k = 0.2628 0.2628 0.2628 ( 2241 PWs) bands (ev): -72.2166 -72.2166 -41.0464 -41.0464 -36.5817 -36.5817 -36.5815 -36.5815 -28.7193 -28.7193 -10.0443 -10.0443 -9.6741 -9.6741 -9.6673 -9.6673 8.7719 8.7719 9.0184 9.0184 9.2553 9.2553 9.3987 9.3987 9.4958 9.4958 9.7106 9.7106 14.1007 14.1007 14.1871 14.1871 15.6929 15.6929 16.0324 16.0326 k = 0.2692 0.2692 0.2692 ( 2247 PWs) bands (ev): -72.2166 -72.2166 -41.0466 -41.0466 -36.5820 -36.5820 -36.5818 -36.5818 -28.7182 -28.7182 -10.0476 -10.0476 -9.6775 -9.6775 -9.6711 -9.6711 8.7942 8.7942 9.0210 9.0210 9.2848 9.2848 9.4015 9.4015 9.5097 9.5097 9.7483 9.7483 14.0460 14.0460 14.1363 14.1363 15.7558 15.7558 16.0536 16.0536 k = 0.2756 0.2756 0.2756 ( 2247 PWs) bands (ev): -72.2165 -72.2165 -41.0467 -41.0467 -36.5822 -36.5822 -36.5820 -36.5820 -28.7171 -28.7171 -10.0509 -10.0509 -9.6808 -9.6808 -9.6748 -9.6748 8.8092 8.8092 9.0216 9.0216 9.3023 9.3023 9.4146 9.4146 9.5261 9.5261 9.7967 9.7967 13.9887 13.9887 14.0826 14.0826 15.8236 15.8236 16.0802 16.0804 k = 0.2821 0.2821 0.2821 ( 2250 PWs) bands (ev): -72.2165 -72.2165 -41.0469 -41.0469 -36.5824 -36.5824 -36.5822 -36.5822 -28.7159 -28.7159 -10.0542 -10.0542 -9.6841 -9.6841 -9.6784 -9.6784 8.8183 8.8183 9.0204 9.0204 9.3065 9.3065 9.4387 9.4387 9.5446 9.5446 9.8549 9.8549 13.9291 13.9291 14.0263 14.0263 15.8961 15.8961 16.1120 16.1121 k = 0.2885 0.2885 0.2885 ( 2250 PWs) bands (ev): -72.2165 -72.2165 -41.0470 -41.0470 -36.5826 -36.5826 -36.5824 -36.5824 -28.7148 -28.7148 -10.0575 -10.0575 -9.6873 -9.6873 -9.6821 -9.6821 8.8230 8.8230 9.0177 9.0177 9.3021 9.3021 9.4691 9.4691 9.5651 9.5651 9.9218 9.9218 13.8674 13.8674 13.9676 13.9676 15.9731 15.9731 16.1486 16.1487 k = 0.2949 0.2949 0.2949 ( 2250 PWs) bands (ev): -72.2165 -72.2165 -41.0472 -41.0472 -36.5829 -36.5829 -36.5827 -36.5827 -28.7138 -28.7138 -10.0607 -10.0607 -9.6905 -9.6905 -9.6857 -9.6857 8.8242 8.8242 9.0136 9.0136 9.2933 9.2933 9.5019 9.5019 9.5874 9.5874 9.9957 9.9957 13.8040 13.8040 13.9068 13.9068 16.0542 16.0542 16.1897 16.1897 k = 0.3013 0.3013 0.3013 ( 2256 PWs) bands (ev): -72.2165 -72.2165 -41.0473 -41.0473 -36.5831 -36.5831 -36.5829 -36.5829 -28.7127 -28.7127 -10.0639 -10.0639 -9.6936 -9.6936 -9.6892 -9.6892 8.8231 8.8231 9.0084 9.0084 9.2824 9.2824 9.5354 9.5354 9.6111 9.6111 10.0751 10.0751 13.7392 13.7392 13.8443 13.8443 16.1391 16.1391 16.2351 16.2351 k = 0.3077 0.3077 0.3077 ( 2244 PWs) bands (ev): -72.2164 -72.2164 -41.0475 -41.0475 -36.5833 -36.5833 -36.5831 -36.5831 -28.7116 -28.7116 -10.0670 -10.0670 -9.6967 -9.6967 -9.6927 -9.6927 8.8205 8.8205 9.0024 9.0024 9.2706 9.2706 9.5690 9.5690 9.6363 9.6363 10.1588 10.1588 13.6732 13.6732 13.7804 13.7804 16.2278 16.2278 16.2844 16.2844 k = 0.3141 0.3141 0.3141 ( 2245 PWs) bands (ev): -72.2164 -72.2164 -41.0476 -41.0476 -36.5835 -36.5835 -36.5833 -36.5833 -28.7106 -28.7106 -10.0701 -10.0701 -9.6998 -9.6998 -9.6962 -9.6962 8.8170 8.8170 8.9957 8.9957 9.2584 9.2584 9.6026 9.6026 9.6625 9.6625 10.2455 10.2455 13.6062 13.6062 13.7154 13.7154 16.3196 16.3196 16.3372 16.3372 k = 0.3205 0.3205 0.3205 ( 2239 PWs) bands (ev): -72.2163 -72.2163 -41.0477 -41.0477 -36.5837 -36.5837 -36.5835 -36.5835 -28.7096 -28.7096 -10.0731 -10.0731 -9.7028 -9.7028 -9.6995 -9.6995 8.8130 8.8130 8.9885 8.9885 9.2461 9.2461 9.6361 9.6361 9.6898 9.6898 10.3345 10.3345 13.5386 13.5386 13.6494 13.6494 16.3934 16.3934 16.4063 16.4063 k = 0.3269 0.3269 0.3269 ( 2239 PWs) bands (ev): -72.2163 -72.2163 -41.0479 -41.0479 -36.5839 -36.5839 -36.5837 -36.5837 -28.7085 -28.7085 -10.0761 -10.0761 -9.7057 -9.7057 -9.7029 -9.7029 8.8090 8.8090 8.9810 8.9810 9.2339 9.2339 9.6696 9.6696 9.7178 9.7178 10.4251 10.4251 13.4704 13.4704 13.5827 13.5827 16.4527 16.4527 16.4685 16.4685 k = 0.3333 0.3333 0.3333 ( 2230 PWs) bands (ev): -72.2163 -72.2163 -41.0480 -41.0480 -36.5841 -36.5841 -36.5839 -36.5839 -28.7076 -28.7076 -10.0790 -10.0790 -9.7086 -9.7086 -9.7061 -9.7061 8.8053 8.8053 8.9732 8.9732 9.2220 9.2220 9.7031 9.7031 9.7466 9.7466 10.5167 10.5167 13.4021 13.4021 13.5156 13.5156 16.5148 16.5148 16.5308 16.5308 k = 0.3397 0.3397 0.3397 ( 2239 PWs) bands (ev): -72.2163 -72.2163 -41.0481 -41.0481 -36.5843 -36.5843 -36.5841 -36.5841 -28.7066 -28.7066 -10.0819 -10.0819 -9.7115 -9.7115 -9.7093 -9.7093 8.8018 8.8018 8.9653 8.9653 9.2104 9.2104 9.7365 9.7365 9.7758 9.7758 10.6089 10.6089 13.3336 13.3336 13.4483 13.4483 16.5794 16.5794 16.5952 16.5952 k = 0.3462 0.3462 0.3462 ( 2251 PWs) bands (ev): -72.2163 -72.2163 -41.0483 -41.0483 -36.5844 -36.5844 -36.5843 -36.5843 -28.7057 -28.7057 -10.0847 -10.0847 -9.7143 -9.7143 -9.7124 -9.7124 8.7990 8.7990 8.9572 8.9572 9.1993 9.1993 9.7699 9.7699 9.8055 9.8055 10.7013 10.7013 13.2652 13.2652 13.3810 13.3810 16.6464 16.6464 16.6618 16.6618 k = 0.3526 0.3526 0.3526 ( 2263 PWs) bands (ev): -72.2163 -72.2163 -41.0484 -41.0484 -36.5846 -36.5846 -36.5845 -36.5845 -28.7048 -28.7048 -10.0874 -10.0874 -9.7170 -9.7170 -9.7154 -9.7154 8.7968 8.7968 8.9492 8.9492 9.1887 9.1887 9.8032 9.8032 9.8356 9.8356 10.7935 10.7935 13.1972 13.1972 13.3139 13.3139 16.7154 16.7154 16.7304 16.7304 k = 0.3590 0.3590 0.3590 ( 2263 PWs) bands (ev): -72.2163 -72.2163 -41.0485 -41.0485 -36.5848 -36.5848 -36.5847 -36.5847 -28.7039 -28.7039 -10.0901 -10.0901 -9.7196 -9.7196 -9.7183 -9.7183 8.7955 8.7955 8.9414 8.9414 9.1787 9.1787 9.8367 9.8367 9.8662 9.8662 10.8854 10.8854 13.1296 13.1296 13.2472 13.2472 16.7864 16.7864 16.8009 16.8009 k = 0.3654 0.3654 0.3654 ( 2263 PWs) bands (ev): -72.2162 -72.2162 -41.0486 -41.0486 -36.5850 -36.5850 -36.5849 -36.5849 -28.7030 -28.7030 -10.0927 -10.0927 -9.7222 -9.7222 -9.7211 -9.7211 8.7949 8.7949 8.9338 8.9338 9.1693 9.1693 9.8702 9.8702 9.8970 9.8970 10.9766 10.9766 13.0628 13.0628 13.1811 13.1811 16.8590 16.8590 16.8729 16.8729 k = 0.3718 0.3718 0.3718 ( 2263 PWs) bands (ev): -72.2162 -72.2162 -41.0487 -41.0487 -36.5851 -36.5851 -36.5850 -36.5850 -28.7022 -28.7022 -10.0951 -10.0951 -9.7247 -9.7247 -9.7238 -9.7238 8.7952 8.7952 8.9264 8.9264 9.1606 9.1606 9.9035 9.9035 9.9279 9.9279 11.0670 11.0670 12.9969 12.9969 13.1158 13.1158 16.9331 16.9331 16.9463 16.9463 k = 0.3782 0.3782 0.3782 ( 2260 PWs) bands (ev): -72.2162 -72.2162 -41.0488 -41.0488 -36.5853 -36.5853 -36.5852 -36.5852 -28.7014 -28.7014 -10.0975 -10.0975 -9.7271 -9.7271 -9.7264 -9.7264 8.7962 8.7962 8.9192 8.9192 9.1525 9.1525 9.9367 9.9367 9.9590 9.9590 11.1562 11.1562 12.9320 12.9320 13.0515 13.0515 17.0083 17.0083 17.0208 17.0208 k = 0.3846 0.3846 0.3846 ( 2266 PWs) bands (ev): -72.2162 -72.2162 -41.0489 -41.0489 -36.5854 -36.5854 -36.5853 -36.5853 -28.7006 -28.7006 -10.0999 -10.0999 -9.7294 -9.7294 -9.7289 -9.7289 8.7977 8.7977 8.9123 8.9123 9.1451 9.1451 9.9697 9.9697 9.9899 9.9899 11.2440 11.2440 12.8684 12.8684 12.9883 12.9883 17.0845 17.0845 17.0963 17.0963 k = 0.3910 0.3910 0.3910 ( 2263 PWs) bands (ev): -72.2162 -72.2162 -41.0490 -41.0490 -36.5856 -36.5856 -36.5855 -36.5855 -28.6999 -28.6999 -10.1021 -10.1021 -9.7317 -9.7317 -9.7312 -9.7312 8.8002 8.8002 8.9057 8.9057 9.1383 9.1383 10.0024 10.0024 10.0208 10.0208 11.3302 11.3302 12.8062 12.8062 12.9264 12.9264 17.1615 17.1615 17.1725 17.1725 k = 0.3974 0.3974 0.3974 ( 2257 PWs) bands (ev): -72.2161 -72.2161 -41.0491 -41.0491 -36.5857 -36.5857 -36.5856 -36.5856 -28.6992 -28.6992 -10.1042 -10.1042 -9.7338 -9.7338 -9.7335 -9.7335 8.8032 8.8032 8.8994 8.8994 9.1323 9.1323 10.0347 10.0347 10.0513 10.0513 11.4145 11.4145 12.7457 12.7457 12.8661 12.8661 17.2389 17.2389 17.2490 17.2490 k = 0.4038 0.4038 0.4038 ( 2257 PWs) bands (ev): -72.2161 -72.2161 -41.0492 -41.0492 -36.5858 -36.5858 -36.5858 -36.5858 -28.6985 -28.6985 -10.1062 -10.1062 -9.7359 -9.7359 -9.7357 -9.7357 8.8066 8.8066 8.8934 8.8934 9.1268 9.1268 10.0665 10.0665 10.0815 10.0815 11.4967 11.4967 12.6871 12.6871 12.8076 12.8076 17.3164 17.3164 17.3254 17.3255 k = 0.4103 0.4103 0.4103 ( 2257 PWs) bands (ev): -72.2161 -72.2161 -41.0493 -41.0493 -36.5859 -36.5859 -36.5859 -36.5859 -28.6979 -28.6979 -10.1081 -10.1081 -9.7378 -9.7378 -9.7377 -9.7377 8.8104 8.8104 8.8878 8.8878 9.1221 9.1221 10.0977 10.0977 10.1111 10.1111 11.5764 11.5764 12.6306 12.6306 12.7511 12.7511 17.3148 17.3148 17.3939 17.3939 k = 0.4167 0.4167 0.4167 ( 2263 PWs) bands (ev): -72.2161 -72.2161 -41.0493 -41.0493 -36.5861 -36.5861 -36.5860 -36.5860 -28.6973 -28.6973 -10.1099 -10.1099 -9.7397 -9.7397 -9.7396 -9.7396 8.8144 8.8144 8.8826 8.8826 9.1179 9.1179 10.1280 10.1280 10.1400 10.1400 11.6532 11.6532 12.5766 12.5766 12.6967 12.6967 17.2184 17.2184 17.4709 17.4711 k = 0.4231 0.4231 0.4231 ( 2263 PWs) bands (ev): -72.2161 -72.2161 -41.0494 -41.0494 -36.5862 -36.5862 -36.5861 -36.5861 -28.6967 -28.6967 -10.1116 -10.1116 -9.7414 -9.7414 -9.7413 -9.7413 8.8185 8.8185 8.8777 8.8777 9.1144 9.1144 10.1576 10.1576 10.1681 10.1681 11.7268 11.7268 12.5253 12.5253 12.6448 12.6448 17.1150 17.1150 17.5470 17.5470 k = 0.4295 0.4295 0.4295 ( 2263 PWs) bands (ev): -72.2161 -72.2161 -41.0495 -41.0495 -36.5863 -36.5863 -36.5862 -36.5862 -28.6962 -28.6962 -10.1132 -10.1132 -9.7430 -9.7430 -9.7430 -9.7430 8.8227 8.8227 8.8732 8.8732 9.1115 9.1115 10.1860 10.1860 10.1952 10.1952 11.7965 11.7965 12.4772 12.4772 12.5956 12.5956 17.0104 17.0104 17.6218 17.6218 k = 0.4359 0.4359 0.4359 ( 2269 PWs) bands (ev): -72.2161 -72.2161 -41.0496 -41.0496 -36.5863 -36.5863 -36.5863 -36.5863 -28.6958 -28.6958 -10.1146 -10.1146 -9.7445 -9.7445 -9.7445 -9.7445 8.8268 8.8268 8.8691 8.8691 9.1092 9.1092 10.2131 10.2131 10.2209 10.2209 11.8619 11.8619 12.4326 12.4326 12.5493 12.5493 16.9082 16.9082 17.6949 17.7005 k = 0.4423 0.4423 0.4423 ( 2269 PWs) bands (ev): -72.2161 -72.2161 -41.0496 -41.0496 -36.5864 -36.5864 -36.5864 -36.5864 -28.6953 -28.6953 -10.1159 -10.1159 -9.7459 -9.7459 -9.7458 -9.7458 8.8307 8.8307 8.8654 8.8654 9.1073 9.1073 10.2388 10.2388 10.2453 10.2453 11.9221 11.9221 12.3923 12.3923 12.5062 12.5062 16.8105 16.8105 17.7655 17.7656 k = 0.4487 0.4487 0.4487 ( 2275 PWs) bands (ev): -72.2161 -72.2161 -41.0497 -41.0497 -36.5865 -36.5865 -36.5865 -36.5865 -28.6949 -28.6949 -10.1171 -10.1171 -9.7471 -9.7471 -9.7471 -9.7471 8.8343 8.8343 8.8620 8.8620 9.1059 9.1059 10.2626 10.2626 10.2680 10.2680 11.9762 11.9762 12.3569 12.3569 12.4667 12.4667 16.7191 16.7191 17.8333 17.8350 k = 0.4551 0.4551 0.4551 ( 2278 PWs) bands (ev): -72.2161 -72.2161 -41.0497 -41.0497 -36.5866 -36.5866 -36.5865 -36.5865 -28.6946 -28.6946 -10.1181 -10.1181 -9.7482 -9.7482 -9.7482 -9.7482 8.8377 8.8377 8.8591 8.8591 9.1048 9.1048 10.2846 10.2846 10.2888 10.2888 12.0227 12.0227 12.3277 12.3277 12.4309 12.4309 16.6353 16.6353 17.8969 17.8971 k = 0.4615 0.4615 0.4615 ( 2278 PWs) bands (ev): -72.2161 -72.2161 -41.0497 -41.0497 -36.5866 -36.5866 -36.5866 -36.5866 -28.6943 -28.6943 -10.1190 -10.1190 -9.7491 -9.7491 -9.7491 -9.7491 8.8407 8.8407 8.8566 8.8566 9.1041 9.1041 10.3043 10.3043 10.3075 10.3075 12.0601 12.0601 12.3061 12.3061 12.3991 12.3991 16.5603 16.5603 17.9559 17.9570 k = 0.4679 0.4679 0.4679 ( 2278 PWs) bands (ev): -72.2161 -72.2161 -41.0498 -41.0498 -36.5867 -36.5867 -36.5867 -36.5867 -28.6941 -28.6941 -10.1198 -10.1198 -9.7499 -9.7499 -9.7499 -9.7499 8.8433 8.8433 8.8544 8.8544 9.1037 9.1037 10.3215 10.3215 10.3238 10.3238 12.0865 12.0865 12.2935 12.2935 12.3717 12.3717 16.4950 16.4950 18.0091 18.0093 k = 0.4744 0.4744 0.4744 ( 2272 PWs) bands (ev): -72.2160 -72.2160 -41.0498 -41.0498 -36.5867 -36.5867 -36.5867 -36.5867 -28.6938 -28.6938 -10.1205 -10.1205 -9.7506 -9.7506 -9.7506 -9.7506 8.8456 8.8456 8.8527 8.8527 9.1035 9.1035 10.3361 10.3361 10.3376 10.3376 12.1015 12.1015 12.2903 12.2903 12.3489 12.3489 16.4403 16.4403 18.0551 18.0557 k = 0.4808 0.4808 0.4808 ( 2272 PWs) bands (ev): -72.2160 -72.2160 -41.0498 -41.0498 -36.5867 -36.5867 -36.5867 -36.5867 -28.6937 -28.6937 -10.1210 -10.1210 -9.7511 -9.7511 -9.7511 -9.7511 8.8473 8.8473 8.8513 8.8513 9.1034 9.1034 10.3476 10.3476 10.3485 10.3485 12.1073 12.1073 12.2940 12.2940 12.3309 12.3309 16.3969 16.3969 18.0929 18.0931 k = 0.4872 0.4872 0.4872 ( 2272 PWs) bands (ev): -72.2160 -72.2160 -41.0498 -41.0498 -36.5868 -36.5868 -36.5868 -36.5868 -28.6936 -28.6936 -10.1213 -10.1213 -9.7515 -9.7515 -9.7515 -9.7515 8.8485 8.8485 8.8503 8.8503 9.1033 9.1033 10.3560 10.3560 10.3564 10.3564 12.1079 12.1079 12.3002 12.3002 12.3178 12.3178 16.3655 16.3655 18.1203 18.1207 k = 0.4936 0.4936 0.4936 ( 2272 PWs) bands (ev): -72.2160 -72.2160 -41.0498 -41.0498 -36.5868 -36.5868 -36.5868 -36.5868 -28.6935 -28.6935 -10.1215 -10.1215 -9.7517 -9.7517 -9.7517 -9.7517 8.8493 8.8493 8.8497 8.8497 9.1033 9.1033 10.3611 10.3611 10.3612 10.3612 12.1069 12.1069 12.3054 12.3054 12.3100 12.3100 16.3465 16.3465 18.1376 18.1376 k = 0.5000 0.5000 0.5000 ( 2272 PWs) bands (ev): -72.2160 -72.2160 -41.0498 -41.0498 -36.5868 -36.5868 -36.5868 -36.5868 -28.6935 -28.6935 -10.1216 -10.1216 -9.7518 -9.7518 -9.7518 -9.7518 8.8495 8.8495 8.8495 8.8495 9.1033 9.1033 10.3628 10.3628 10.3628 10.3628 12.1064 12.1064 12.3073 12.3073 12.3073 12.3073 16.3401 16.3401 18.1434 18.1434 k = 0.5000 0.5000 0.5000 ( 2272 PWs) bands (ev): -72.2160 -72.2160 -41.0498 -41.0498 -36.5868 -36.5868 -36.5868 -36.5868 -28.6935 -28.6935 -10.1216 -10.1216 -9.7518 -9.7518 -9.7518 -9.7518 8.8495 8.8495 8.8495 8.8495 9.1033 9.1033 10.3628 10.3628 10.3628 10.3628 12.1064 12.1064 12.3073 12.3073 12.3073 12.3073 16.3401 16.3401 18.1434 18.1434 k = 0.4922 0.5000 0.4922 ( 2272 PWs) bands (ev): -72.2160 -72.2160 -41.0498 -41.0498 -36.5868 -36.5868 -36.5868 -36.5868 -28.6935 -28.6935 -10.1215 -10.1215 -9.7517 -9.7517 -9.7516 -9.7516 8.8493 8.8493 8.8498 8.8498 9.1033 9.1033 10.3604 10.3604 10.3620 10.3620 12.1069 12.1069 12.3057 12.3057 12.3097 12.3097 16.3464 16.3464 18.1349 18.1349 k = 0.4844 0.5000 0.4844 ( 2272 PWs) bands (ev): -72.2160 -72.2160 -41.0498 -41.0498 -36.5868 -36.5868 -36.5867 -36.5867 -28.6936 -28.6936 -10.1213 -10.1213 -9.7517 -9.7517 -9.7513 -9.7513 8.8485 8.8485 8.8504 8.8504 9.1033 9.1033 10.3531 10.3531 10.3594 10.3594 12.1081 12.1081 12.3010 12.3010 12.3168 12.3168 16.3653 16.3653 18.1099 18.1101 k = 0.4766 0.5000 0.4766 ( 2272 PWs) bands (ev): -72.2160 -72.2160 -41.0498 -41.0498 -36.5868 -36.5868 -36.5867 -36.5867 -28.6937 -28.6937 -10.1210 -10.1210 -9.7515 -9.7515 -9.7507 -9.7507 8.8472 8.8472 8.8514 8.8514 9.1034 9.1034 10.3412 10.3412 10.3552 10.3552 12.1085 12.1085 12.2946 12.2946 12.3289 12.3289 16.3964 16.3964 18.0703 18.0704 k = 0.4688 0.5000 0.4687 ( 2272 PWs) bands (ev): -72.2160 -72.2160 -41.0498 -41.0498 -36.5867 -36.5867 -36.5867 -36.5867 -28.6938 -28.6938 -10.1205 -10.1205 -9.7514 -9.7514 -9.7498 -9.7498 8.8453 8.8453 8.8529 8.8529 9.1035 9.1035 10.3249 10.3249 10.3492 10.3492 12.1060 12.1060 12.2882 12.2882 12.3463 12.3463 16.4395 16.4395 18.0182 18.0182 k = 0.4609 0.5000 0.4609 ( 2274 PWs) bands (ev): -72.2160 -72.2160 -41.0498 -41.0498 -36.5867 -36.5867 -36.5866 -36.5866 -28.6940 -28.6940 -10.1199 -10.1199 -9.7512 -9.7512 -9.7487 -9.7487 8.8429 8.8429 8.8548 8.8548 9.1037 9.1037 10.3045 10.3045 10.3414 10.3414 12.0981 12.0981 12.2841 12.2841 12.3694 12.3694 16.4939 16.4939 17.9561 17.9561 k = 0.4531 0.5000 0.4531 ( 2278 PWs) bands (ev): -72.2161 -72.2161 -41.0497 -41.0497 -36.5867 -36.5867 -36.5865 -36.5865 -28.6943 -28.6943 -10.1191 -10.1191 -9.7509 -9.7509 -9.7474 -9.7474 8.8399 8.8399 8.8571 8.8571 9.1042 9.1042 10.2805 10.2805 10.3317 10.3317 12.0829 12.0829 12.2841 12.2841 12.3984 12.3984 16.5590 16.5590 17.8861 17.8861 k = 0.4453 0.5000 0.4453 ( 2278 PWs) bands (ev): -72.2161 -72.2161 -41.0497 -41.0497 -36.5867 -36.5867 -36.5864 -36.5864 -28.6946 -28.6946 -10.1182 -10.1182 -9.7506 -9.7506 -9.7458 -9.7458 8.8364 8.8364 8.8598 8.8598 9.1049 9.1049 10.2534 10.2534 10.3202 10.3202 12.0602 12.0602 12.2884 12.2884 12.4331 12.4331 16.6341 16.6341 17.8101 17.8101 k = 0.4375 0.5000 0.4375 ( 2276 PWs) bands (ev): -72.2161 -72.2161 -41.0497 -41.0497 -36.5867 -36.5867 -36.5863 -36.5863 -28.6949 -28.6949 -10.1172 -10.1172 -9.7502 -9.7502 -9.7440 -9.7440 8.8324 8.8324 8.8630 8.8630 9.1059 9.1059 10.2236 10.2236 10.3067 10.3067 12.0309 12.0309 12.2964 12.2964 12.4733 12.4733 16.7186 16.7186 17.7296 17.7296 k = 0.4297 0.5000 0.4297 ( 2272 PWs) bands (ev): -72.2161 -72.2161 -41.0496 -41.0496 -36.5867 -36.5867 -36.5862 -36.5862 -28.6953 -28.6953 -10.1161 -10.1161 -9.7498 -9.7498 -9.7420 -9.7420 8.8279 8.8279 8.8665 8.8665 9.1074 9.1074 10.1915 10.1915 10.2911 10.2911 11.9967 11.9967 12.3070 12.3070 12.5185 12.5185 16.8115 16.8115 17.6456 17.6456 k = 0.4219 0.5000 0.4219 ( 2268 PWs) bands (ev): -72.2161 -72.2161 -41.0496 -41.0496 -36.5866 -36.5866 -36.5860 -36.5860 -28.6957 -28.6957 -10.1148 -10.1148 -9.7493 -9.7493 -9.7397 -9.7397 8.8230 8.8230 8.8705 8.8705 9.1093 9.1093 10.1575 10.1575 10.2735 10.2735 11.9591 11.9591 12.3193 12.3193 12.5683 12.5683 16.9122 16.9122 17.5590 17.5590 k = 0.4141 0.5000 0.4141 ( 2268 PWs) bands (ev): -72.2161 -72.2161 -41.0495 -41.0495 -36.5866 -36.5866 -36.5859 -36.5859 -28.6962 -28.6962 -10.1135 -10.1135 -9.7488 -9.7488 -9.7373 -9.7373 8.8176 8.8176 8.8748 8.8748 9.1118 9.1118 10.1219 10.1219 10.2536 10.2536 11.9192 11.9192 12.3325 12.3325 12.6221 12.6221 17.0198 17.0198 17.4705 17.4705 k = 0.4062 0.5000 0.4062 ( 2268 PWs) bands (ev): -72.2161 -72.2161 -41.0494 -41.0494 -36.5866 -36.5866 -36.5857 -36.5857 -28.6967 -28.6967 -10.1120 -10.1120 -9.7482 -9.7482 -9.7346 -9.7346 8.8118 8.8118 8.8796 8.8796 9.1148 9.1148 10.0852 10.0852 10.2315 10.2315 11.8781 11.8781 12.3459 12.3459 12.6795 12.6795 17.1335 17.1335 17.3805 17.3805 k = 0.3984 0.5000 0.3984 ( 2260 PWs) bands (ev): -72.2161 -72.2161 -41.0494 -41.0494 -36.5865 -36.5865 -36.5856 -36.5856 -28.6972 -28.6972 -10.1105 -10.1105 -9.7476 -9.7476 -9.7317 -9.7317 8.8058 8.8058 8.8847 8.8847 9.1185 9.1185 10.0476 10.0476 10.2071 10.2071 11.8366 11.8366 12.3591 12.3591 12.7399 12.7399 17.2523 17.2523 17.2898 17.2898 k = 0.3906 0.5000 0.3906 ( 2260 PWs) bands (ev): -72.2161 -72.2161 -41.0493 -41.0493 -36.5865 -36.5865 -36.5854 -36.5854 -28.6978 -28.6978 -10.1088 -10.1088 -9.7469 -9.7469 -9.7286 -9.7286 8.7994 8.7994 8.8902 8.8902 9.1227 9.1227 10.0094 10.0094 10.1804 10.1804 11.7954 11.7954 12.3717 12.3717 12.8029 12.8029 17.1980 17.1980 17.3756 17.3756 k = 0.3828 0.5000 0.3828 ( 2252 PWs) bands (ev): -72.2161 -72.2161 -41.0492 -41.0492 -36.5865 -36.5865 -36.5852 -36.5852 -28.6984 -28.6984 -10.1071 -10.1071 -9.7462 -9.7462 -9.7253 -9.7253 8.7930 8.7930 8.8962 8.8962 9.1277 9.1277 9.9710 9.9710 10.1514 10.1514 11.7551 11.7551 12.3832 12.3832 12.8683 12.8683 17.1061 17.1061 17.4857 17.4857 k = 0.3750 0.5000 0.3750 ( 2252 PWs) bands (ev): -72.2161 -72.2161 -41.0491 -41.0491 -36.5864 -36.5864 -36.5850 -36.5850 -28.6990 -28.6990 -10.1053 -10.1053 -9.7454 -9.7454 -9.7219 -9.7219 8.7864 8.7864 8.9024 8.9024 9.1334 9.1334 9.9324 9.9324 10.1201 10.1201 11.7161 11.7161 12.3931 12.3931 12.9356 12.9356 17.0140 17.0140 17.4131 17.4131 k = 0.3672 0.5000 0.3672 ( 2260 PWs) bands (ev): -72.2161 -72.2161 -41.0490 -41.0490 -36.5864 -36.5864 -36.5847 -36.5847 -28.6997 -28.6997 -10.1035 -10.1035 -9.7446 -9.7446 -9.7183 -9.7183 8.7798 8.7798 8.9089 8.9089 9.1396 9.1396 9.8938 9.8938 10.0866 10.0866 11.6788 11.6788 12.4011 12.4011 13.0046 13.0046 16.9218 16.9218 17.3408 17.3408 k = 0.3594 0.5000 0.3594 ( 2260 PWs) bands (ev): -72.2162 -72.2162 -41.0490 -41.0490 -36.5863 -36.5863 -36.5845 -36.5845 -28.7004 -28.7004 -10.1016 -10.1016 -9.7437 -9.7437 -9.7145 -9.7145 8.7733 8.7733 8.9158 8.9158 9.1467 9.1467 9.8556 9.8556 10.0509 10.0509 11.6434 11.6434 12.4068 12.4068 13.0750 13.0750 16.8297 16.8297 17.2706 17.2706 k = 0.3516 0.5000 0.3516 ( 2262 PWs) bands (ev): -72.2162 -72.2162 -41.0489 -41.0489 -36.5863 -36.5863 -36.5843 -36.5843 -28.7011 -28.7011 -10.0997 -10.0997 -9.7428 -9.7428 -9.7106 -9.7106 8.7670 8.7670 8.9229 8.9229 9.1543 9.1543 9.8178 9.8178 10.0134 10.0134 11.6103 11.6103 12.4097 12.4097 13.1464 13.1464 16.7377 16.7377 17.2034 17.2034 k = 0.3438 0.5000 0.3437 ( 2262 PWs) bands (ev): -72.2162 -72.2162 -41.0488 -41.0488 -36.5863 -36.5863 -36.5840 -36.5840 -28.7019 -28.7019 -10.0977 -10.0977 -9.7418 -9.7418 -9.7065 -9.7065 8.7610 8.7610 8.9304 8.9304 9.1626 9.1626 9.7808 9.7808 9.9739 9.9739 11.5793 11.5793 12.4096 12.4096 13.2189 13.2189 16.6462 16.6462 17.1398 17.1398 k = 0.3359 0.5000 0.3359 ( 2258 PWs) bands (ev): -72.2162 -72.2162 -41.0487 -41.0487 -36.5862 -36.5862 -36.5838 -36.5838 -28.7026 -28.7026 -10.0958 -10.0958 -9.7408 -9.7408 -9.7022 -9.7022 8.7554 8.7554 8.9381 8.9381 9.1716 9.1716 9.7445 9.7445 9.9328 9.9328 11.5507 11.5507 12.4060 12.4060 13.2920 13.2920 16.5551 16.5551 17.0804 17.0804 k = 0.3281 0.5000 0.3281 ( 2258 PWs) bands (ev): -72.2162 -72.2162 -41.0486 -41.0486 -36.5862 -36.5862 -36.5835 -36.5835 -28.7034 -28.7034 -10.0938 -10.0938 -9.7397 -9.7397 -9.6979 -9.6979 8.7503 8.7503 8.9459 8.9459 9.1811 9.1811 9.7092 9.7092 9.8902 9.8902 11.5245 11.5245 12.3986 12.3986 13.3657 13.3657 16.4645 16.4645 17.0259 17.0259 k = 0.3203 0.5000 0.3203 ( 2254 PWs) bands (ev): -72.2162 -72.2162 -41.0484 -41.0484 -36.5861 -36.5861 -36.5832 -36.5832 -28.7043 -28.7043 -10.0918 -10.0918 -9.7385 -9.7385 -9.6934 -9.6934 8.7458 8.7458 8.9540 8.9540 9.1911 9.1911 9.6750 9.6750 9.8465 9.8465 11.5005 11.5005 12.3872 12.3872 13.4397 13.4397 16.3744 16.3744 16.9765 16.9765 k = 0.3125 0.5000 0.3125 ( 2254 PWs) bands (ev): -72.2163 -72.2163 -41.0483 -41.0483 -36.5861 -36.5861 -36.5829 -36.5829 -28.7051 -28.7051 -10.0898 -10.0898 -9.7373 -9.7373 -9.6889 -9.6889 8.7418 8.7418 8.9621 8.9621 9.2014 9.2014 9.6421 9.6421 9.8019 9.8019 11.4789 11.4789 12.3716 12.3716 13.5138 13.5138 16.2850 16.2850 16.9328 16.9328 k = 0.3047 0.5000 0.3047 ( 2246 PWs) bands (ev): -72.2163 -72.2163 -41.0482 -41.0482 -36.5860 -36.5860 -36.5826 -36.5826 -28.7059 -28.7059 -10.0879 -10.0879 -9.7360 -9.7360 -9.6842 -9.6842 8.7386 8.7386 8.9702 8.9702 9.2120 9.2120 9.6108 9.6108 9.7567 9.7567 11.4593 11.4593 12.3515 12.3515 13.5879 13.5879 16.1963 16.1963 16.8948 16.8948 k = 0.2969 0.5000 0.2969 ( 2246 PWs) bands (ev): -72.2163 -72.2163 -41.0481 -41.0481 -36.5860 -36.5860 -36.5824 -36.5824 -28.7068 -28.7068 -10.0859 -10.0859 -9.7347 -9.7347 -9.6794 -9.6794 8.7361 8.7361 8.9782 8.9782 9.2226 9.2226 9.5812 9.5812 9.7111 9.7111 11.4419 11.4419 12.3269 12.3269 13.6618 13.6618 16.1084 16.1084 16.8626 16.8626 k = 0.2891 0.5000 0.2891 ( 2254 PWs) bands (ev): -72.2163 -72.2163 -41.0480 -41.0480 -36.5859 -36.5859 -36.5821 -36.5821 -28.7077 -28.7077 -10.0840 -10.0840 -9.7333 -9.7333 -9.6746 -9.6746 8.7342 8.7342 8.9860 8.9860 9.2329 9.2329 9.5536 9.5536 9.6656 9.6656 11.4263 11.4263 12.2978 12.2978 13.7353 13.7353 16.0212 16.0212 16.8363 16.8363 k = 0.2812 0.5000 0.2812 ( 2254 PWs) bands (ev): -72.2163 -72.2163 -41.0479 -41.0479 -36.5859 -36.5859 -36.5818 -36.5818 -28.7086 -28.7086 -10.0822 -10.0822 -9.7319 -9.7319 -9.6698 -9.6698 8.7333 8.7333 8.9936 8.9936 9.2426 9.2426 9.5283 9.5283 9.6207 9.6207 11.4125 11.4125 12.2641 12.2641 13.8084 13.8084 15.9350 15.9350 16.8158 16.8158 k = 0.2734 0.5000 0.2734 ( 2246 PWs) bands (ev): -72.2164 -72.2164 -41.0477 -41.0477 -36.5858 -36.5858 -36.5815 -36.5815 -28.7094 -28.7094 -10.0804 -10.0804 -9.7304 -9.7304 -9.6648 -9.6648 8.7334 8.7334 9.0007 9.0007 9.2510 9.2510 9.5056 9.5056 9.5772 9.5772 11.4004 11.4004 12.2260 12.2260 13.8808 13.8808 15.8497 15.8497 16.8009 16.8009 k = 0.2656 0.5000 0.2656 ( 2244 PWs) bands (ev): -72.2164 -72.2164 -41.0476 -41.0476 -36.5857 -36.5857 -36.5811 -36.5811 -28.7103 -28.7103 -10.0786 -10.0786 -9.7288 -9.7288 -9.6599 -9.6599 8.7344 8.7344 9.0070 9.0070 9.2575 9.2575 9.4850 9.4850 9.5365 9.5365 11.3899 11.3899 12.1836 12.1836 13.9524 13.9524 15.7654 15.7654 16.7914 16.7914 k = 0.2578 0.5000 0.2578 ( 2244 PWs) bands (ev): -72.2164 -72.2164 -41.0475 -41.0475 -36.5857 -36.5857 -36.5808 -36.5808 -28.7112 -28.7112 -10.0769 -10.0769 -9.7272 -9.7272 -9.6549 -9.6549 8.7362 8.7362 9.0125 9.0125 9.2610 9.2610 9.4634 9.4634 9.5032 9.5032 11.3808 11.3808 12.1371 12.1371 14.0230 14.0230 15.6822 15.6822 16.7870 16.7870 k = 0.2500 0.5000 0.2500 ( 2248 PWs) bands (ev): -72.2164 -72.2164 -41.0474 -41.0474 -36.5856 -36.5856 -36.5805 -36.5805 -28.7121 -28.7121 -10.0753 -10.0753 -9.7256 -9.7256 -9.6499 -9.6499 8.7389 8.7389 9.0167 9.0167 9.2603 9.2603 9.4354 9.4354 9.4843 9.4843 11.3730 11.3730 12.0867 12.0867 14.0925 14.0925 15.6000 15.6000 16.7873 16.7873 k = 0.2422 0.5000 0.2422 ( 2240 PWs) bands (ev): -72.2164 -72.2164 -41.0473 -41.0473 -36.5856 -36.5856 -36.5802 -36.5802 -28.7130 -28.7130 -10.0738 -10.0738 -9.7239 -9.7239 -9.6449 -9.6449 8.7426 8.7426 9.0196 9.0196 9.2544 9.2544 9.4044 9.4044 9.4782 9.4782 11.3664 11.3664 12.0328 12.0328 14.1609 14.1609 15.5191 15.5191 16.7919 16.7919 k = 0.2344 0.5000 0.2344 ( 2236 PWs) bands (ev): -72.2164 -72.2164 -41.0471 -41.0471 -36.5855 -36.5855 -36.5799 -36.5799 -28.7139 -28.7139 -10.0723 -10.0723 -9.7222 -9.7222 -9.6399 -9.6399 8.7471 8.7471 9.0207 9.0207 9.2423 9.2423 9.3765 9.3765 9.4800 9.4800 11.3608 11.3608 11.9757 11.9757 14.2278 14.2278 15.4394 15.4394 16.8002 16.8002 k = 0.2266 0.5000 0.2266 ( 2236 PWs) bands (ev): -72.2165 -72.2165 -41.0470 -41.0470 -36.5855 -36.5855 -36.5796 -36.5796 -28.7148 -28.7148 -10.0710 -10.0710 -9.7204 -9.7204 -9.6350 -9.6350 8.7524 8.7524 9.0196 9.0196 9.2237 9.2237 9.3549 9.3549 9.4871 9.4871 11.3562 11.3562 11.9155 11.9155 14.2934 14.2934 15.3611 15.3611 16.7985 16.7985 k = 0.2188 0.5000 0.2187 ( 2232 PWs) bands (ev): -72.2165 -72.2165 -41.0469 -41.0469 -36.5854 -36.5854 -36.5793 -36.5793 -28.7157 -28.7157 -10.0697 -10.0697 -9.7186 -9.7186 -9.6300 -9.6300 8.7583 8.7583 9.0162 9.0162 9.1998 9.1998 9.3403 9.3403 9.4984 9.4984 11.3525 11.3525 11.8528 11.8528 14.3573 14.3573 15.2841 15.2841 16.7132 16.7132 k = 0.2109 0.5000 0.2109 ( 2232 PWs) bands (ev): -72.2165 -72.2165 -41.0468 -41.0468 -36.5854 -36.5854 -36.5790 -36.5790 -28.7165 -28.7165 -10.0685 -10.0685 -9.7168 -9.7168 -9.6252 -9.6252 8.7647 8.7647 9.0104 9.0104 9.1729 9.1729 9.3318 9.3318 9.5126 9.5126 11.3496 11.3496 11.7879 11.7879 14.4195 14.4195 15.2086 15.2086 16.6288 16.6288 k = 0.2031 0.5000 0.2031 ( 2236 PWs) bands (ev): -72.2165 -72.2165 -41.0467 -41.0467 -36.5853 -36.5853 -36.5787 -36.5787 -28.7174 -28.7174 -10.0674 -10.0674 -9.7150 -9.7150 -9.6204 -9.6204 8.7713 8.7713 9.0019 9.0019 9.1456 9.1456 9.3281 9.3281 9.5290 9.5290 11.3471 11.3471 11.7211 11.7211 14.4800 14.4800 15.1347 15.1347 16.5457 16.5457 k = 0.1953 0.5000 0.1953 ( 2234 PWs) bands (ev): -72.2166 -72.2166 -41.0465 -41.0465 -36.5853 -36.5853 -36.5784 -36.5784 -28.7182 -28.7182 -10.0664 -10.0664 -9.7131 -9.7131 -9.6156 -9.6156 8.7777 8.7777 8.9907 8.9907 9.1199 9.1199 9.3281 9.3281 9.5471 9.5471 11.3451 11.3451 11.6529 11.6529 14.5385 14.5385 15.0624 15.0624 16.4639 16.4639 k = 0.1875 0.5000 0.1875 ( 2234 PWs) bands (ev): -72.2166 -72.2166 -41.0464 -41.0464 -36.5852 -36.5852 -36.5781 -36.5781 -28.7190 -28.7190 -10.0654 -10.0654 -9.7113 -9.7113 -9.6110 -9.6110 8.7833 8.7833 8.9771 8.9771 9.0974 9.0974 9.3309 9.3309 9.5665 9.5665 11.3432 11.3432 11.5838 11.5838 14.5951 14.5951 14.9919 14.9919 16.3835 16.3835 k = 0.1797 0.5000 0.1797 ( 2236 PWs) bands (ev): -72.2166 -72.2166 -41.0463 -41.0463 -36.5852 -36.5852 -36.5778 -36.5778 -28.7198 -28.7198 -10.0646 -10.0646 -9.7094 -9.7094 -9.6064 -9.6064 8.7872 8.7872 8.9615 8.9615 9.0793 9.0793 9.3361 9.3361 9.5867 9.5867 11.3405 11.3405 11.5149 11.5149 14.6496 14.6496 14.9231 14.9231 16.3048 16.3048 k = 0.1719 0.5000 0.1719 ( 2236 PWs) bands (ev): -72.2166 -72.2166 -41.0462 -41.0462 -36.5851 -36.5851 -36.5775 -36.5775 -28.7206 -28.7206 -10.0638 -10.0638 -9.7075 -9.7075 -9.6019 -9.6019 8.7886 8.7886 8.9449 8.9449 9.0662 9.0662 9.3431 9.3431 9.6077 9.6077 11.3348 11.3348 11.4488 11.4488 14.7019 14.7019 14.8563 14.8563 16.2277 16.2277 k = 0.1641 0.5000 0.1641 ( 2236 PWs) bands (ev): -72.2166 -72.2166 -41.0461 -41.0461 -36.5851 -36.5851 -36.5773 -36.5773 -28.7214 -28.7214 -10.0631 -10.0631 -9.7057 -9.7057 -9.5976 -9.5976 8.7862 8.7862 8.9289 8.9289 9.0583 9.0583 9.3516 9.3516 9.6291 9.6291 11.3163 11.3163 11.3953 11.3953 14.7518 14.7518 14.7917 14.7917 16.1525 16.1525 k = 0.1562 0.5000 0.1562 ( 2236 PWs) bands (ev): -72.2167 -72.2167 -41.0460 -41.0460 -36.5851 -36.5851 -36.5770 -36.5770 -28.7221 -28.7221 -10.0625 -10.0625 -9.7038 -9.7038 -9.5934 -9.5934 8.7791 8.7791 8.9146 8.9146 9.0556 9.0556 9.3611 9.3611 9.6509 9.6509 11.2684 11.2684 11.3713 11.3713 14.7281 14.7281 14.8005 14.8005 16.0793 16.0793 k = 0.1484 0.5000 0.1484 ( 2236 PWs) bands (ev): -72.2167 -72.2167 -41.0459 -41.0459 -36.5850 -36.5850 -36.5767 -36.5767 -28.7228 -28.7228 -10.0620 -10.0620 -9.7020 -9.7020 -9.5893 -9.5893 8.7674 8.7674 8.9024 8.9024 9.0582 9.0582 9.3715 9.3715 9.6727 9.6727 11.2029 11.2029 11.3651 11.3651 14.6676 14.6676 14.8460 14.8460 16.0082 16.0082 k = 0.1406 0.5000 0.1406 ( 2236 PWs) bands (ev): -72.2167 -72.2167 -41.0458 -41.0458 -36.5850 -36.5850 -36.5765 -36.5765 -28.7235 -28.7235 -10.0615 -10.0615 -9.7002 -9.7002 -9.5854 -9.5854 8.7519 8.7519 8.8919 8.8919 9.0657 9.0657 9.3826 9.3826 9.6945 9.6945 11.1329 11.1329 11.3640 11.3640 14.6093 14.6093 14.8892 14.8892 15.9394 15.9394 k = 0.1328 0.5000 0.1328 ( 2228 PWs) bands (ev): -72.2167 -72.2167 -41.0457 -41.0457 -36.5849 -36.5849 -36.5763 -36.5763 -28.7242 -28.7242 -10.0611 -10.0611 -9.6985 -9.6985 -9.5816 -9.5816 8.7338 8.7338 8.8826 8.8826 9.0777 9.0777 9.3942 9.3942 9.7162 9.7162 11.0616 11.0616 11.3648 11.3648 14.5533 14.5533 14.9302 14.9302 15.8731 15.8731 k = 0.1250 0.5000 0.1250 ( 2228 PWs) bands (ev): -72.2167 -72.2167 -41.0456 -41.0456 -36.5849 -36.5849 -36.5760 -36.5760 -28.7248 -28.7248 -10.0608 -10.0608 -9.6968 -9.6968 -9.5780 -9.5780 8.7143 8.7143 8.8739 8.8739 9.0935 9.0935 9.4060 9.4060 9.7376 9.7376 10.9902 10.9902 11.3664 11.3664 14.4998 14.4998 14.9687 14.9687 15.8094 15.8094 k = 0.1172 0.5000 0.1172 ( 2232 PWs) bands (ev): -72.2167 -72.2167 -41.0456 -41.0456 -36.5849 -36.5849 -36.5758 -36.5758 -28.7254 -28.7254 -10.0605 -10.0605 -9.6952 -9.6952 -9.5745 -9.5745 8.6943 8.6943 8.8654 8.8654 9.1126 9.1126 9.4180 9.4180 9.7584 9.7584 10.9193 10.9193 11.3685 11.3685 14.4488 14.4488 15.0048 15.0048 15.7484 15.7484 k = 0.1094 0.5000 0.1094 ( 2240 PWs) bands (ev): -72.2168 -72.2168 -41.0455 -41.0455 -36.5848 -36.5848 -36.5756 -36.5756 -28.7260 -28.7260 -10.0603 -10.0603 -9.6936 -9.6936 -9.5713 -9.5713 8.6745 8.6745 8.8573 8.8573 9.1343 9.1343 9.4300 9.4300 9.7787 9.7787 10.8491 10.8491 11.3709 11.3709 14.4006 14.4006 15.0383 15.0383 15.6903 15.6903 k = 0.1016 0.5000 0.1016 ( 2248 PWs) bands (ev): -72.2168 -72.2168 -41.0454 -41.0454 -36.5848 -36.5848 -36.5754 -36.5754 -28.7265 -28.7265 -10.0601 -10.0601 -9.6921 -9.6921 -9.5682 -9.5682 8.6552 8.6552 8.8493 8.8493 9.1582 9.1582 9.4421 9.4421 9.7984 9.7984 10.7800 10.7800 11.3735 11.3735 14.3551 14.3551 15.0695 15.0695 15.6354 15.6354 k = 0.0938 0.5000 0.0937 ( 2236 PWs) bands (ev): -72.2168 -72.2168 -41.0453 -41.0453 -36.5848 -36.5848 -36.5752 -36.5752 -28.7270 -28.7270 -10.0599 -10.0599 -9.6907 -9.6907 -9.5653 -9.5653 8.6370 8.6370 8.8419 8.8419 9.1839 9.1839 9.4542 9.4542 9.8173 9.8173 10.7124 10.7124 11.3763 11.3763 14.3125 14.3125 15.0982 15.0982 15.5838 15.5838 k = 0.0859 0.5000 0.0859 ( 2236 PWs) bands (ev): -72.2168 -72.2168 -41.0453 -41.0453 -36.5848 -36.5848 -36.5751 -36.5751 -28.7274 -28.7274 -10.0598 -10.0598 -9.6894 -9.6894 -9.5627 -9.5627 8.6197 8.6197 8.8348 8.8348 9.2107 9.2107 9.4662 9.4662 9.8353 9.8353 10.6463 10.6463 11.3791 11.3791 14.2729 14.2729 15.1244 15.1244 15.5357 15.5357 k = 0.0781 0.5000 0.0781 ( 2240 PWs) bands (ev): -72.2168 -72.2168 -41.0452 -41.0452 -36.5847 -36.5847 -36.5749 -36.5749 -28.7279 -28.7279 -10.0597 -10.0597 -9.6882 -9.6882 -9.5602 -9.5602 8.6037 8.6037 8.8281 8.8281 9.2382 9.2382 9.4782 9.4782 9.8522 9.8522 10.5821 10.5821 11.3819 11.3819 14.2363 14.2363 15.1481 15.1481 15.4913 15.4913 k = 0.0703 0.5000 0.0703 ( 2236 PWs) bands (ev): -72.2168 -72.2168 -41.0452 -41.0452 -36.5847 -36.5847 -36.5748 -36.5748 -28.7283 -28.7283 -10.0597 -10.0597 -9.6870 -9.6870 -9.5580 -9.5580 8.5891 8.5891 8.8221 8.8221 9.2660 9.2660 9.4902 9.4902 9.8681 9.8681 10.5201 10.5201 11.3847 11.3847 14.2030 14.2030 15.1692 15.1692 15.4508 15.4508 k = 0.0625 0.5000 0.0625 ( 2240 PWs) bands (ev): -72.2168 -72.2168 -41.0451 -41.0451 -36.5847 -36.5847 -36.5747 -36.5747 -28.7286 -28.7286 -10.0596 -10.0596 -9.6860 -9.6860 -9.5559 -9.5559 8.5758 8.5758 8.8165 8.8165 9.2934 9.2934 9.5022 9.5022 9.8828 9.8828 10.4608 10.4608 11.3873 11.3873 14.1729 14.1729 15.1876 15.1876 15.4144 15.4144 k = 0.0547 0.5000 0.0547 ( 2232 PWs) bands (ev): -72.2168 -72.2168 -41.0451 -41.0451 -36.5847 -36.5847 -36.5745 -36.5745 -28.7289 -28.7289 -10.0596 -10.0596 -9.6851 -9.6851 -9.5541 -9.5541 8.5640 8.5640 8.8116 8.8116 9.3198 9.3198 9.5144 9.5144 9.8965 9.8965 10.4046 10.4046 11.3897 11.3897 14.1461 14.1461 15.2033 15.2033 15.3826 15.3826 k = 0.0469 0.5000 0.0469 ( 2236 PWs) bands (ev): -72.2168 -72.2168 -41.0450 -41.0450 -36.5847 -36.5847 -36.5744 -36.5744 -28.7292 -28.7292 -10.0596 -10.0596 -9.6842 -9.6842 -9.5526 -9.5526 8.5537 8.5537 8.8071 8.8071 9.3444 9.3444 9.5270 9.5270 9.9087 9.9087 10.3521 10.3521 11.3919 11.3919 14.1227 14.1227 15.2160 15.2160 15.3556 15.3556 k = 0.0391 0.5000 0.0391 ( 2232 PWs) bands (ev): -72.2168 -72.2168 -41.0450 -41.0450 -36.5846 -36.5846 -36.5744 -36.5744 -28.7294 -28.7294 -10.0596 -10.0596 -9.6835 -9.6835 -9.5512 -9.5512 8.5450 8.5450 8.8034 8.8034 9.3663 9.3663 9.5398 9.5398 9.9195 9.9195 10.3040 10.3040 11.3939 11.3939 14.1028 14.1028 15.2253 15.2253 15.3338 15.3338 k = 0.0312 0.5000 0.0312 ( 2244 PWs) bands (ev): -72.2169 -72.2169 -41.0450 -41.0450 -36.5846 -36.5846 -36.5743 -36.5743 -28.7296 -28.7296 -10.0596 -10.0596 -9.6830 -9.6830 -9.5502 -9.5502 8.5378 8.5378 8.8002 8.8002 9.3846 9.3846 9.5524 9.5524 9.9289 9.9289 10.2615 10.2615 11.3955 11.3955 14.0864 14.0864 15.2309 15.2309 15.3178 15.3178 k = 0.0234 0.5000 0.0234 ( 2244 PWs) bands (ev): -72.2169 -72.2169 -41.0450 -41.0450 -36.5846 -36.5846 -36.5742 -36.5742 -28.7297 -28.7297 -10.0596 -10.0596 -9.6825 -9.6825 -9.5493 -9.5493 8.5321 8.5321 8.7979 8.7979 9.3993 9.3993 9.5643 9.5643 9.9368 9.9368 10.2257 10.2257 11.3967 11.3967 14.0736 14.0736 15.2330 15.2330 15.3076 15.3076 k = 0.0156 0.5000 0.0156 ( 2240 PWs) bands (ev): -72.2169 -72.2169 -41.0449 -41.0449 -36.5846 -36.5846 -36.5742 -36.5742 -28.7298 -28.7298 -10.0596 -10.0596 -9.6822 -9.6822 -9.5487 -9.5487 8.5281 8.5281 8.7963 8.7963 9.4097 9.4097 9.5743 9.5743 9.9430 9.9430 10.1982 10.1982 11.3977 11.3977 14.0645 14.0645 15.2326 15.2326 15.3022 15.3022 k = 0.0078 0.5000 0.0078 ( 2240 PWs) bands (ev): -72.2169 -72.2169 -41.0449 -41.0449 -36.5846 -36.5846 -36.5742 -36.5742 -28.7299 -28.7299 -10.0596 -10.0596 -9.6820 -9.6820 -9.5483 -9.5483 8.5257 8.5257 8.7952 8.7952 9.4159 9.4159 9.5810 9.5810 9.9470 9.9470 10.1808 10.1808 11.3983 11.3983 14.0589 14.0589 15.2313 15.2313 15.2999 15.2999 k = 0.0000 0.5000-0.0000 ( 2240 PWs) bands (ev): -72.2169 -72.2169 -41.0449 -41.0449 -36.5846 -36.5846 -36.5742 -36.5742 -28.7299 -28.7299 -10.0596 -10.0596 -9.6820 -9.6820 -9.5482 -9.5482 8.5249 8.5249 8.7949 8.7949 9.4179 9.4179 9.5834 9.5834 9.9484 9.9484 10.1748 10.1748 11.3985 11.3985 14.0571 14.0571 15.2307 15.2307 15.2993 15.2993 k = 0.5000 0.5000-0.0000 ( 2216 PWs) bands (ev): -72.2164 -72.2164 -41.0474 -41.0474 -36.5881 -36.5881 -36.5781 -36.5781 -28.7125 -28.7125 -10.0881 -10.0881 -9.7724 -9.7724 -9.5785 -9.5785 8.3638 8.3638 8.4236 8.4236 9.1842 9.1842 9.3194 9.3194 10.3309 10.3309 11.9631 11.9631 13.1346 13.1346 13.2766 13.2766 15.1228 15.1228 16.9675 16.9675 k = 0.5000 0.5000 0.0111 ( 2216 PWs) bands (ev): -72.2164 -72.2164 -41.0474 -41.0474 -36.5881 -36.5881 -36.5781 -36.5781 -28.7125 -28.7125 -10.0881 -10.0881 -9.7724 -9.7724 -9.5787 -9.5787 8.3646 8.3646 8.4252 8.4252 9.1839 9.1839 9.3191 9.3191 10.3309 10.3309 11.9633 11.9633 13.1331 13.1331 13.2751 13.2751 15.1248 15.1248 16.9700 16.9700 k = 0.5000 0.5000 0.0222 ( 2216 PWs) bands (ev): -72.2164 -72.2164 -41.0474 -41.0474 -36.5881 -36.5881 -36.5781 -36.5781 -28.7124 -28.7124 -10.0882 -10.0882 -9.7723 -9.7723 -9.5795 -9.5795 8.3667 8.3667 8.4299 8.4299 9.1832 9.1832 9.3180 9.3180 10.3310 10.3310 11.9640 11.9640 13.1287 13.1287 13.2705 13.2705 15.1306 15.1306 16.9775 16.9775 k = 0.5000 0.5000 0.0333 ( 2216 PWs) bands (ev): -72.2164 -72.2164 -41.0474 -41.0474 -36.5881 -36.5881 -36.5782 -36.5782 -28.7123 -28.7123 -10.0882 -10.0882 -9.7722 -9.7722 -9.5806 -9.5806 8.3702 8.3702 8.4377 8.4377 9.1820 9.1820 9.3162 9.3162 10.3312 10.3312 11.9651 11.9651 13.1213 13.1213 13.2631 13.2631 15.1404 15.1404 16.9899 16.9899 k = 0.5000 0.5000 0.0444 ( 2220 PWs) bands (ev): -72.2164 -72.2164 -41.0474 -41.0474 -36.5880 -36.5880 -36.5782 -36.5782 -28.7121 -28.7121 -10.0884 -10.0884 -9.7720 -9.7720 -9.5823 -9.5823 8.3751 8.3751 8.4485 8.4485 9.1804 9.1804 9.3138 9.3138 10.3314 10.3314 11.9665 11.9665 13.1112 13.1112 13.2527 13.2527 15.1540 15.1540 17.0072 17.0072 k = 0.5000 0.5000 0.0556 ( 2228 PWs) bands (ev): -72.2164 -72.2164 -41.0475 -41.0475 -36.5880 -36.5880 -36.5783 -36.5783 -28.7119 -28.7119 -10.0885 -10.0885 -9.7718 -9.7718 -9.5844 -9.5844 8.3813 8.3813 8.4624 8.4624 9.1782 9.1782 9.3105 9.3105 10.3317 10.3317 11.9685 11.9685 13.0983 13.0983 13.2396 13.2396 15.1716 15.1716 17.0292 17.0292 k = 0.5000 0.5000 0.0667 ( 2228 PWs) bands (ev): -72.2164 -72.2164 -41.0475 -41.0475 -36.5880 -36.5880 -36.5785 -36.5785 -28.7117 -28.7117 -10.0887 -10.0887 -9.7715 -9.7715 -9.5870 -9.5870 8.3888 8.3888 8.4793 8.4793 9.1758 9.1758 9.3067 9.3067 10.3321 10.3321 11.9709 11.9709 13.0828 13.0828 13.2238 13.2238 15.1931 15.1931 17.0560 17.0560 k = 0.5000 0.5000 0.0778 ( 2228 PWs) bands (ev): -72.2164 -72.2164 -41.0475 -41.0475 -36.5880 -36.5880 -36.5786 -36.5786 -28.7114 -28.7114 -10.0890 -10.0890 -9.7712 -9.7712 -9.5900 -9.5900 8.3974 8.3974 8.4991 8.4991 9.1731 9.1731 9.3022 9.3022 10.3327 10.3327 11.9737 11.9737 13.0649 13.0649 13.2055 13.2055 15.2184 15.2184 17.0873 17.0873 k = 0.5000 0.5000 0.0889 ( 2228 PWs) bands (ev): -72.2164 -72.2164 -41.0476 -41.0476 -36.5880 -36.5880 -36.5787 -36.5787 -28.7111 -28.7111 -10.0893 -10.0893 -9.7708 -9.7708 -9.5934 -9.5934 8.4074 8.4074 8.5217 8.5217 9.1702 9.1702 9.2971 9.2971 10.3332 10.3332 11.9770 11.9770 13.0446 13.0446 13.1848 13.1848 15.2477 15.2477 17.1230 17.1230 k = 0.5000 0.5000 0.1000 ( 2224 PWs) bands (ev): -72.2163 -72.2163 -41.0476 -41.0476 -36.5879 -36.5879 -36.5789 -36.5789 -28.7107 -28.7107 -10.0896 -10.0896 -9.7704 -9.7704 -9.5972 -9.5972 8.4185 8.4185 8.5471 8.5471 9.1673 9.1673 9.2915 9.2915 10.3338 10.3338 11.9807 11.9807 13.0222 13.0222 13.1620 13.1620 15.2810 15.2810 17.1630 17.1630 k = 0.5000 0.5000 0.1111 ( 2224 PWs) bands (ev): -72.2163 -72.2163 -41.0477 -41.0477 -36.5879 -36.5879 -36.5791 -36.5791 -28.7103 -28.7103 -10.0900 -10.0900 -9.7700 -9.7700 -9.6013 -9.6013 8.4307 8.4307 8.5748 8.5748 9.1644 9.1644 9.2853 9.2853 10.3344 10.3344 11.9848 11.9848 12.9979 12.9979 13.1372 13.1372 15.3181 15.3181 17.2071 17.2071 k = 0.5000 0.5000 0.1222 ( 2232 PWs) bands (ev): -72.2163 -72.2163 -41.0477 -41.0477 -36.5879 -36.5879 -36.5793 -36.5793 -28.7098 -28.7098 -10.0904 -10.0904 -9.7695 -9.7695 -9.6058 -9.6058 8.4439 8.4439 8.6048 8.6048 9.1618 9.1618 9.2786 9.2786 10.3351 10.3351 11.9891 11.9891 12.9718 12.9718 13.1106 13.1106 15.3591 15.3591 17.2550 17.2550 k = 0.5000 0.5000 0.1333 ( 2232 PWs) bands (ev): -72.2163 -72.2163 -41.0478 -41.0478 -36.5879 -36.5879 -36.5795 -36.5795 -28.7094 -28.7094 -10.0909 -10.0909 -9.7690 -9.7690 -9.6106 -9.6106 8.4580 8.4580 8.6368 8.6368 9.1598 9.1598 9.2715 9.2715 10.3358 10.3358 11.9939 11.9939 12.9442 12.9442 13.0825 13.0825 15.4040 15.4040 17.3067 17.3067 k = 0.5000 0.5000 0.1444 ( 2232 PWs) bands (ev): -72.2163 -72.2163 -41.0479 -41.0479 -36.5878 -36.5878 -36.5798 -36.5798 -28.7088 -28.7088 -10.0914 -10.0914 -9.7684 -9.7684 -9.6157 -9.6157 8.4730 8.4730 8.6704 8.6704 9.1586 9.1586 9.2640 9.2640 10.3366 10.3366 11.9991 11.9991 12.9151 12.9151 13.0530 13.0530 15.4529 15.4529 17.3620 17.3620 k = 0.5000 0.5000 0.1556 ( 2248 PWs) bands (ev): -72.2163 -72.2163 -41.0479 -41.0479 -36.5878 -36.5878 -36.5800 -36.5800 -28.7083 -28.7083 -10.0920 -10.0920 -9.7679 -9.7679 -9.6211 -9.6211 8.4885 8.4885 8.7049 8.7049 9.1588 9.1588 9.2561 9.2561 10.3373 10.3373 12.0046 12.0046 12.8850 12.8850 13.0222 13.0222 15.5055 15.5055 17.4207 17.4207 k = 0.5000 0.5000 0.1667 ( 2268 PWs) bands (ev): -72.2163 -72.2163 -41.0480 -41.0480 -36.5878 -36.5878 -36.5803 -36.5803 -28.7078 -28.7078 -10.0927 -10.0927 -9.7673 -9.7673 -9.6266 -9.6266 8.5048 8.5048 8.7398 8.7398 9.1608 9.1608 9.2478 9.2478 10.3380 10.3380 12.0103 12.0103 12.8538 12.8538 12.9905 12.9905 15.5620 15.5620 17.4825 17.4825 k = 0.5000 0.5000 0.1778 ( 2252 PWs) bands (ev): -72.2163 -72.2163 -41.0481 -41.0481 -36.5877 -36.5877 -36.5805 -36.5805 -28.7072 -28.7072 -10.0934 -10.0934 -9.7666 -9.7666 -9.6324 -9.6324 8.5218 8.5218 8.7745 8.7745 9.1660 9.1660 9.2396 9.2396 10.3391 10.3391 12.0165 12.0165 12.8219 12.8219 12.9581 12.9581 15.6225 15.6225 17.5475 17.5475 k = 0.5000 0.5000 0.1889 ( 2252 PWs) bands (ev): -72.2163 -72.2163 -41.0482 -41.0482 -36.5877 -36.5877 -36.5808 -36.5808 -28.7066 -28.7066 -10.0941 -10.0941 -9.7660 -9.7660 -9.6383 -9.6383 8.5392 8.5392 8.8074 8.8074 9.1750 9.1750 9.2310 9.2310 10.3400 10.3400 12.0229 12.0229 12.7894 12.7894 12.9250 12.9250 15.6867 15.6867 17.6152 17.6152 k = 0.5000 0.5000 0.2000 ( 2252 PWs) bands (ev): -72.2163 -72.2163 -41.0482 -41.0482 -36.5876 -36.5876 -36.5811 -36.5811 -28.7059 -28.7059 -10.0949 -10.0949 -9.7653 -9.7653 -9.6443 -9.6443 8.5569 8.5569 8.8372 8.8372 9.1891 9.1891 9.2223 9.2223 10.3411 10.3411 12.0296 12.0296 12.7566 12.7566 12.8915 12.8915 15.7547 15.7547 17.6856 17.6856 k = 0.5000 0.5000 0.2111 ( 2252 PWs) bands (ev): -72.2163 -72.2163 -41.0483 -41.0483 -36.5876 -36.5876 -36.5814 -36.5814 -28.7053 -28.7053 -10.0958 -10.0958 -9.7646 -9.7646 -9.6504 -9.6504 8.5749 8.5749 8.8628 8.8628 9.2097 9.2097 9.2135 9.2135 10.3421 10.3421 12.0365 12.0365 12.7236 12.7236 12.8578 12.8578 15.8264 15.8264 17.7585 17.7585 k = 0.5000 0.5000 0.2222 ( 2268 PWs) bands (ev): -72.2163 -72.2163 -41.0484 -41.0484 -36.5875 -36.5875 -36.5817 -36.5817 -28.7047 -28.7047 -10.0968 -10.0968 -9.7639 -9.7639 -9.6565 -9.6565 8.5930 8.5930 8.8830 8.8830 9.2045 9.2045 9.2373 9.2373 10.3431 10.3431 12.0436 12.0436 12.6905 12.6905 12.8240 12.8240 15.9018 15.9018 17.8335 17.8335 k = 0.5000 0.5000 0.2333 ( 2268 PWs) bands (ev): -72.2163 -72.2163 -41.0485 -41.0485 -36.5875 -36.5875 -36.5820 -36.5820 -28.7040 -28.7040 -10.0978 -10.0978 -9.7632 -9.7632 -9.6627 -9.6627 8.6112 8.6112 8.8979 8.8979 9.1958 9.1958 9.2724 9.2724 10.3442 10.3442 12.0510 12.0510 12.6576 12.6576 12.7904 12.7904 15.9809 15.9809 17.9107 17.9107 k = 0.5000 0.5000 0.2444 ( 2268 PWs) bands (ev): -72.2162 -72.2162 -41.0486 -41.0486 -36.5875 -36.5875 -36.5823 -36.5823 -28.7033 -28.7033 -10.0988 -10.0988 -9.7625 -9.7625 -9.6689 -9.6689 8.6293 8.6293 8.9077 8.9077 9.1872 9.1872 9.3141 9.3141 10.3453 10.3453 12.0584 12.0584 12.6250 12.6250 12.7570 12.7570 16.0635 16.0635 17.9896 17.9896 k = 0.5000 0.5000 0.2556 ( 2268 PWs) bands (ev): -72.2162 -72.2162 -41.0487 -41.0487 -36.5874 -36.5874 -36.5826 -36.5826 -28.7027 -28.7027 -10.0999 -10.0999 -9.7617 -9.7617 -9.6750 -9.6750 8.6472 8.6472 8.9134 8.9134 9.1787 9.1787 9.3616 9.3616 10.3465 10.3465 12.0661 12.0661 12.5929 12.5929 12.7239 12.7239 16.1495 16.1495 18.0697 18.0697 k = 0.5000 0.5000 0.2667 ( 2276 PWs) bands (ev): -72.2162 -72.2162 -41.0488 -41.0488 -36.5874 -36.5874 -36.5829 -36.5829 -28.7020 -28.7020 -10.1011 -10.1011 -9.7610 -9.7610 -9.6810 -9.6810 8.6648 8.6648 8.9157 8.9157 9.1704 9.1704 9.4137 9.4137 10.3476 10.3476 12.0737 12.0737 12.5615 12.5615 12.6914 12.6914 16.2389 16.2389 18.1029 18.1029 k = 0.5000 0.5000 0.2778 ( 2284 PWs) bands (ev): -72.2162 -72.2162 -41.0489 -41.0489 -36.5873 -36.5873 -36.5832 -36.5832 -28.7014 -28.7014 -10.1023 -10.1023 -9.7603 -9.7603 -9.6869 -9.6869 8.6820 8.6820 8.9157 8.9157 9.1624 9.1624 9.4693 9.4693 10.3485 10.3485 12.0814 12.0814 12.5310 12.5310 12.6596 12.6596 16.3314 16.3314 18.1061 18.1061 k = 0.5000 0.5000 0.2889 ( 2276 PWs) bands (ev): -72.2162 -72.2162 -41.0489 -41.0489 -36.5873 -36.5873 -36.5835 -36.5835 -28.7007 -28.7007 -10.1036 -10.1036 -9.7596 -9.7596 -9.6927 -9.6927 8.6988 8.6988 8.9140 8.9140 9.1549 9.1549 9.5277 9.5277 10.3497 10.3497 12.0892 12.0892 12.5014 12.5014 12.6286 12.6286 16.4272 16.4272 18.1078 18.1078 k = 0.5000 0.5000 0.3000 ( 2284 PWs) bands (ev): -72.2162 -72.2162 -41.0490 -41.0490 -36.5872 -36.5872 -36.5838 -36.5838 -28.7001 -28.7001 -10.1048 -10.1048 -9.7589 -9.7589 -9.6983 -9.6983 8.7149 8.7149 8.9109 8.9109 9.1477 9.1477 9.5878 9.5878 10.3508 10.3508 12.0967 12.0967 12.4731 12.4731 12.5985 12.5985 16.5257 16.5257 17.9783 17.9783 k = 0.5000 0.5000 0.3111 ( 2272 PWs) bands (ev): -72.2162 -72.2162 -41.0491 -41.0491 -36.5872 -36.5872 -36.5841 -36.5841 -28.6994 -28.6994 -10.1062 -10.1062 -9.7582 -9.7582 -9.7037 -9.7037 8.7303 8.7303 8.9072 8.9072 9.1411 9.1411 9.6494 9.6494 10.3519 10.3519 12.1042 12.1042 12.4461 12.4461 12.5695 12.5695 16.6270 16.6270 17.8331 17.8331 k = 0.5000 0.5000 0.3222 ( 2272 PWs) bands (ev): -72.2162 -72.2162 -41.0492 -41.0492 -36.5871 -36.5871 -36.5843 -36.5843 -28.6988 -28.6988 -10.1075 -10.1075 -9.7576 -9.7576 -9.7089 -9.7089 8.7450 8.7450 8.9027 8.9027 9.1349 9.1349 9.7116 9.7116 10.3530 10.3530 12.1112 12.1112 12.4207 12.4207 12.5415 12.5415 16.7307 16.7307 17.6903 17.6903 k = 0.5000 0.5000 0.3333 ( 2268 PWs) bands (ev): -72.2161 -72.2161 -41.0492 -41.0492 -36.5871 -36.5871 -36.5846 -36.5846 -28.6982 -28.6982 -10.1088 -10.1088 -9.7569 -9.7569 -9.7138 -9.7138 8.7588 8.7588 8.8979 8.8979 9.1293 9.1293 9.7738 9.7738 10.3540 10.3540 12.1178 12.1178 12.3972 12.3972 12.5148 12.5148 16.8366 16.8366 17.5508 17.5508 k = 0.5000 0.5000 0.3444 ( 2268 PWs) bands (ev): -72.2161 -72.2161 -41.0493 -41.0493 -36.5871 -36.5871 -36.5849 -36.5849 -28.6977 -28.6977 -10.1101 -10.1101 -9.7563 -9.7563 -9.7186 -9.7186 8.7717 8.7717 8.8930 8.8930 9.1242 9.1242 9.8356 9.8356 10.3551 10.3551 12.1236 12.1236 12.3757 12.3757 12.4894 12.4894 16.9444 16.9444 17.4152 17.4152 k = 0.5000 0.5000 0.3556 ( 2268 PWs) bands (ev): -72.2161 -72.2161 -41.0494 -41.0494 -36.5870 -36.5870 -36.5851 -36.5851 -28.6971 -28.6971 -10.1114 -10.1114 -9.7557 -9.7557 -9.7230 -9.7230 8.7835 8.7835 8.8880 8.8880 9.1198 9.1198 9.8964 9.8964 10.3560 10.3560 12.1285 12.1285 12.3565 12.3565 12.4654 12.4654 17.0536 17.0536 17.2844 17.2844 k = 0.5000 0.5000 0.3667 ( 2268 PWs) bands (ev): -72.2161 -72.2161 -41.0494 -41.0494 -36.5870 -36.5870 -36.5853 -36.5853 -28.6966 -28.6966 -10.1127 -10.1127 -9.7552 -9.7552 -9.7271 -9.7271 8.7944 8.7944 8.8830 8.8830 9.1159 9.1159 9.9556 9.9556 10.3570 10.3570 12.1322 12.1322 12.3400 12.3400 12.4428 12.4428 17.1591 17.1591 17.1638 17.1638 k = 0.5000 0.5000 0.3778 ( 2276 PWs) bands (ev): -72.2161 -72.2161 -41.0495 -41.0495 -36.5870 -36.5870 -36.5856 -36.5856 -28.6962 -28.6962 -10.1140 -10.1140 -9.7547 -9.7547 -9.7310 -9.7310 8.8041 8.8041 8.8781 8.8781 9.1126 9.1126 10.0128 10.0128 10.3577 10.3577 12.1345 12.1345 12.3264 12.3264 12.4218 12.4218 17.0399 17.0399 17.2744 17.2744 k = 0.5000 0.5000 0.3889 ( 2268 PWs) bands (ev): -72.2161 -72.2161 -41.0496 -41.0496 -36.5869 -36.5869 -36.5858 -36.5858 -28.6957 -28.6957 -10.1151 -10.1151 -9.7542 -9.7542 -9.7346 -9.7346 8.8129 8.8129 8.8736 8.8736 9.1100 9.1100 10.0674 10.0674 10.3586 10.3586 12.1352 12.1352 12.3158 12.3158 12.4024 12.4024 16.9277 16.9277 17.3848 17.3848 k = 0.5000 0.5000 0.4000 ( 2268 PWs) bands (ev): -72.2161 -72.2161 -41.0496 -41.0496 -36.5869 -36.5869 -36.5859 -36.5859 -28.6953 -28.6953 -10.1163 -10.1163 -9.7537 -9.7537 -9.7378 -9.7378 8.8205 8.8205 8.8693 8.8693 9.1079 9.1079 10.1189 10.1189 10.3594 10.3594 12.1342 12.1342 12.3083 12.3083 12.3847 12.3847 16.8232 16.8232 17.4940 17.4940 k = 0.5000 0.5000 0.4111 ( 2276 PWs) bands (ev): -72.2161 -72.2161 -41.0497 -41.0497 -36.5869 -36.5869 -36.5861 -36.5861 -28.6949 -28.6949 -10.1173 -10.1173 -9.7533 -9.7533 -9.7407 -9.7407 8.8271 8.8271 8.8652 8.8652 9.1062 9.1062 10.1666 10.1666 10.3601 10.3601 12.1316 12.1316 12.3037 12.3037 12.3687 12.3687 16.7271 16.7271 17.6011 17.6011 k = 0.5000 0.5000 0.4222 ( 2284 PWs) bands (ev): -72.2161 -72.2161 -41.0497 -41.0497 -36.5869 -36.5869 -36.5863 -36.5863 -28.6946 -28.6946 -10.1183 -10.1183 -9.7530 -9.7530 -9.7433 -9.7433 8.8327 8.8327 8.8616 8.8616 9.1050 9.1050 10.2100 10.2100 10.3607 10.3607 12.1280 12.1280 12.3014 12.3014 12.3545 12.3545 16.6401 16.6401 17.7048 17.7048 k = 0.5000 0.5000 0.4333 ( 2276 PWs) bands (ev): -72.2161 -72.2161 -41.0497 -41.0497 -36.5868 -36.5868 -36.5864 -36.5864 -28.6943 -28.6943 -10.1191 -10.1191 -9.7527 -9.7527 -9.7455 -9.7455 8.8375 8.8375 8.8586 8.8586 9.1043 9.1043 10.2490 10.2490 10.3613 10.3613 12.1237 12.1237 12.3010 12.3010 12.3421 12.3421 16.5629 16.5629 17.8034 17.8034 k = 0.5000 0.5000 0.4444 ( 2272 PWs) bands (ev): -72.2160 -72.2160 -41.0498 -41.0498 -36.5868 -36.5868 -36.5865 -36.5865 -28.6940 -28.6940 -10.1199 -10.1199 -9.7524 -9.7524 -9.7474 -9.7474 8.8414 8.8414 8.8559 8.8559 9.1038 9.1038 10.2828 10.2828 10.3617 10.3617 12.1193 12.1193 12.3017 12.3017 12.3315 12.3315 16.4964 16.4964 17.8948 17.8949 k = 0.5000 0.5000 0.4556 ( 2272 PWs) bands (ev): -72.2160 -72.2160 -41.0498 -41.0498 -36.5868 -36.5868 -36.5866 -36.5866 -28.6938 -28.6938 -10.1205 -10.1205 -9.7522 -9.7522 -9.7490 -9.7490 8.8444 8.8444 8.8536 8.8536 9.1035 9.1035 10.3111 10.3111 10.3621 10.3621 12.1151 12.1151 12.3031 12.3031 12.3229 12.3229 16.4409 16.4409 17.9766 17.9766 k = 0.5000 0.5000 0.4667 ( 2272 PWs) bands (ev): -72.2160 -72.2160 -41.0498 -41.0498 -36.5868 -36.5868 -36.5867 -36.5867 -28.6937 -28.6937 -10.1210 -10.1210 -9.7520 -9.7520 -9.7502 -9.7502 8.8467 8.8467 8.8518 8.8518 9.1034 9.1034 10.3335 10.3335 10.3624 10.3624 12.1114 12.1114 12.3047 12.3047 12.3161 12.3161 16.3972 16.3972 18.0456 18.0456 k = 0.5000 0.5000 0.4778 ( 2272 PWs) bands (ev): -72.2160 -72.2160 -41.0498 -41.0498 -36.5868 -36.5868 -36.5867 -36.5867 -28.6936 -28.6936 -10.1213 -10.1213 -9.7519 -9.7519 -9.7511 -9.7511 8.8483 8.8483 8.8506 8.8506 9.1033 9.1033 10.3497 10.3497 10.3627 10.3627 12.1087 12.1087 12.3061 12.3061 12.3112 12.3112 16.3656 16.3656 18.0985 18.0985 k = 0.5000 0.5000 0.4889 ( 2272 PWs) bands (ev): -72.2160 -72.2160 -41.0498 -41.0498 -36.5868 -36.5868 -36.5868 -36.5868 -28.6935 -28.6935 -10.1215 -10.1215 -9.7518 -9.7518 -9.7516 -9.7516 8.8492 8.8492 8.8498 8.8498 9.1033 9.1033 10.3595 10.3595 10.3628 10.3628 12.1070 12.1070 12.3070 12.3070 12.3083 12.3083 16.3465 16.3465 18.1319 18.1319 k = 0.5000 0.5000 0.5000 ( 2272 PWs) bands (ev): -72.2160 -72.2160 -41.0498 -41.0498 -36.5868 -36.5868 -36.5868 -36.5868 -28.6935 -28.6935 -10.1216 -10.1216 -9.7518 -9.7518 -9.7518 -9.7518 8.8495 8.8495 8.8495 8.8495 9.1033 9.1033 10.3628 10.3628 10.3628 10.3628 12.1064 12.1064 12.3073 12.3073 12.3073 12.3073 16.3401 16.3401 18.1434 18.1434 Writing output data file CaPd.save init_run : 0.28s CPU 0.71s WALL ( 1 calls) electrons : 69.75s CPU 73.06s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.21s WALL ( 1 calls) potinit : 0.02s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 69.75s CPU 73.05s 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 : 0.04s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.04s WALL ( 347 calls) cegterg : 62.60s CPU 63.78s WALL ( 401 calls) Called by sum_band: Called by *egterg: h_psi : 28.72s CPU 29.68s WALL ( 6778 calls) s_psi : 1.40s CPU 1.37s WALL ( 6778 calls) g_psi : 0.10s CPU 0.10s WALL ( 6030 calls) cdiaghg : 29.60s CPU 30.08s WALL ( 6377 calls) cegterg:over : 2.11s CPU 2.31s WALL ( 6030 calls) cegterg:upda : 1.61s CPU 1.54s WALL ( 6030 calls) cegterg:last : 0.99s CPU 0.92s WALL ( 1204 calls) cdiaghg:chol : 1.46s CPU 1.52s WALL ( 6377 calls) cdiaghg:inve : 0.86s CPU 0.90s WALL ( 6377 calls) cdiaghg:para : 1.63s CPU 1.70s WALL ( 12754 calls) Called by h_psi: h_psi:vloc : 25.32s CPU 26.36s WALL ( 6778 calls) h_psi:vnl : 3.37s CPU 3.28s WALL ( 6778 calls) add_vuspsi : 1.99s CPU 1.81s WALL ( 6778 calls) General routines calbec : 1.36s CPU 1.46s WALL ( 6778 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 23.22s CPU 24.24s WALL ( 564364 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.13s CPU 0.11s WALL ( 694 calls) Parallel routines fft_scatter : 11.77s CPU 12.53s WALL ( 564387 calls) PWSCF : 1m19.80s CPU 1m49.95s WALL This run was terminated on: 16:29: 0 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=