Program PWSCF v.5.4.0 starts on 20Mar2017 at 20:35:30 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 & OpenMP), running on 144 processor cores Number of MPI processes: 72 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 72 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: ./BaSi2.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 34 31 8 1282 1111 164 Max 35 32 9 1289 1130 171 Sum 2469 2241 641 92469 80581 12149 bravais-lattice index = 14 lattice parameter (alat) = 12.6895 a.u. unit-cell volume = 2043.3114 (a.u.)^3 number of atoms/cell = 12 number of atomic types = 2 number of electrons = 72.00 number of Kohn-Sham states= 86 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 193.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.689510 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 Ba read from file: /users/gautes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 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 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Si read from file: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 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 Ba 10.00 137.32700 Ba( 1.00) Si 4.00 28.08550 Si( 1.00) 24 Sym. Ops. (no inversion) found (21 have fractional translation) 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 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.5000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( -0.5000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.5000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) f =( -0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) f =( -0.2500000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) f =( -0.2500000 ) ( -1 0 0 ) ( -0.2500000 ) ( 0 0 -1 ) ( -0.2500000 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( -0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.2500000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) f =( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) ( 0 0 1 ) ( -0.2500000 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) f =( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.2500000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) f =( 0.2500000 ) ( -1 0 0 ) ( -0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) f =( 0.2500000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( -0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 ) isym = 9 180 deg rotation - cart. axis [1,0,1] cryst. s( 9) = ( 0 0 1 ) f =( 0.2500000 ) ( 0 -1 0 ) ( 0.2500000 ) ( 1 0 0 ) ( -0.2500000 ) cart. s( 9) = ( 0.0000000 -0.0000000 1.0000000 ) f =( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( -0.2500000 ) isym = 10 180 deg rotation - cart. axis [-1,0,1] cryst. s(10) = ( 0 0 -1 ) f =( -0.2500000 ) ( 0 -1 0 ) ( -0.2500000 ) ( -1 0 0 ) ( -0.2500000 ) cart. s(10) = ( -0.0000000 -0.0000000 -1.0000000 ) f =( -0.2500000 ) ( -0.0000000 -1.0000000 0.0000000 ) ( -0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( -0.2500000 ) isym = 11 90 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 0 0 -1 ) f =( -0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) ( 1 0 0 ) ( 0.2500000 ) cart. s(11) = ( -0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 ) ( -0.0000000 1.0000000 -0.0000000 ) ( 0.2500000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 ) isym = 12 90 deg rotation - cart. axis [0,-1,0] cryst. s(12) = ( 0 0 1 ) f =( 0.2500000 ) ( 0 1 0 ) ( -0.2500000 ) ( -1 0 0 ) ( 0.2500000 ) cart. s(12) = ( 0.0000000 0.0000000 -1.0000000 ) f =( 0.2500000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.2500000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.2500000 ) isym = 13 180 deg rotation - cart. axis [0,1,1] cryst. s(13) = ( -1 0 0 ) f =( 0.2500000 ) ( 0 0 1 ) ( -0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.2500000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.2500000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.2500000 ) isym = 14 180 deg rotation - cart. axis [0,1,-1] cryst. s(14) = ( -1 0 0 ) f =( -0.2500000 ) ( 0 0 -1 ) ( -0.2500000 ) ( 0 -1 0 ) ( -0.2500000 ) cart. s(14) = ( -1.0000000 0.0000000 -0.0000000 ) f =( -0.2500000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( -0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.2500000 ) isym = 15 90 deg rotation - cart. axis [-1,0,0] cryst. s(15) = ( 1 0 0 ) f =( -0.2500000 ) ( 0 0 -1 ) ( 0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) f =( -0.2500000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 0.2500000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 ) isym = 16 90 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( 1 0 0 ) f =( 0.2500000 ) ( 0 0 1 ) ( 0.2500000 ) ( 0 -1 0 ) ( -0.2500000 ) cart. s(16) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.2500000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.2500000 ) 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 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) cart. s(18) = ( -0.0000000 -1.0000000 0.0000000 ) f =( 0.0000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( 0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.5000000 ) isym = 19 120 deg rotation - cart. axis [1,1,-1] cryst. s(19) = ( 0 0 -1 ) f =( -0.5000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) cart. s(19) = ( -0.0000000 1.0000000 -0.0000000 ) f =( -0.5000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( 0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 ) isym = 20 120 deg rotation - cart. axis [1,-1,1] cryst. s(20) = ( 0 0 1 ) f =( 0.5000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 -1 0 ) ( 0.5000000 ) cart. s(20) = ( 0.0000000 -1.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.5000000 ) 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 ) f =( 0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) ( 1 0 0 ) ( 0.0000000 ) cart. s(22) = ( -0.0000000 -0.0000000 1.0000000 ) f =( 0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) isym = 23 120 deg rotation - cart. axis [1,-1,-1] cryst. s(23) = ( 0 -1 0 ) f =( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) ( -1 0 0 ) ( 0.5000000 ) cart. s(23) = ( -0.0000000 0.0000000 -1.0000000 ) f =( 0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) isym = 24 120 deg rotation - cart. axis [-1,-1,1] cryst. s(24) = ( 0 1 0 ) f =( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) ( -1 0 0 ) ( 0.5000000 ) cart. s(24) = ( 0.0000000 -0.0000000 -1.0000000 ) f =( 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) double point group O (432) there are 8 classes and 3 irreducible representations the character table: E -E 8C3 -8C3 3C2 6C4 -6C4 6C2' -3C2 -6C2' G_6 2.00 -2.00 1.00 -1.00 0.00 1.41 -1.41 0.00 G_7 2.00 -2.00 1.00 -1.00 0.00 -1.41 1.41 0.00 G_8 4.00 -4.00 -1.00 1.00 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 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' 2 -2 4 -4 3 -3 180 deg rotation - cart. axis [0,0,1] 6C2'-6C2' 5 -5 6 -6 14 -13 -14 13 -10 -9 10 9 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 187 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0053476 k( 2) = ( 0.0000000 0.0208333 -0.0000000), wk = 0.0053476 k( 3) = ( 0.0000000 0.0416667 -0.0000000), wk = 0.0053476 k( 4) = ( 0.0000000 0.0625000 -0.0000000), wk = 0.0053476 k( 5) = ( 0.0000000 0.0833333 -0.0000000), wk = 0.0053476 k( 6) = ( 0.0000000 0.1041667 -0.0000000), wk = 0.0053476 k( 7) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0053476 k( 8) = ( 0.0000000 0.1458333 -0.0000000), wk = 0.0053476 k( 9) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0053476 k( 10) = ( 0.0000000 0.1875000 -0.0000000), wk = 0.0053476 k( 11) = ( 0.0000000 0.2083333 -0.0000000), wk = 0.0053476 k( 12) = ( 0.0000000 0.2291667 -0.0000000), wk = 0.0053476 k( 13) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0053476 k( 14) = ( 0.0000000 0.2708333 -0.0000000), wk = 0.0053476 k( 15) = ( 0.0000000 0.2916667 -0.0000000), wk = 0.0053476 k( 16) = ( 0.0000000 0.3125000 -0.0000000), wk = 0.0053476 k( 17) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0053476 k( 18) = ( 0.0000000 0.3541667 -0.0000000), wk = 0.0053476 k( 19) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0053476 k( 20) = ( 0.0000000 0.3958333 -0.0000000), wk = 0.0053476 k( 21) = ( 0.0000000 0.4166667 -0.0000000), wk = 0.0053476 k( 22) = ( 0.0000000 0.4375000 -0.0000000), wk = 0.0053476 k( 23) = ( 0.0000000 0.4583333 -0.0000000), wk = 0.0053476 k( 24) = ( 0.0000000 0.4791667 -0.0000000), wk = 0.0053476 k( 25) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0053476 k( 26) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0053476 k( 27) = ( 0.0208333 0.5000000 -0.0000000), wk = 0.0053476 k( 28) = ( 0.0416667 0.5000000 -0.0000000), wk = 0.0053476 k( 29) = ( 0.0625000 0.5000000 -0.0000000), wk = 0.0053476 k( 30) = ( 0.0833333 0.5000000 -0.0000000), wk = 0.0053476 k( 31) = ( 0.1041667 0.5000000 -0.0000000), wk = 0.0053476 k( 32) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0053476 k( 33) = ( 0.1458333 0.5000000 -0.0000000), wk = 0.0053476 k( 34) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0053476 k( 35) = ( 0.1875000 0.5000000 -0.0000000), wk = 0.0053476 k( 36) = ( 0.2083333 0.5000000 -0.0000000), wk = 0.0053476 k( 37) = ( 0.2291667 0.5000000 -0.0000000), wk = 0.0053476 k( 38) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0053476 k( 39) = ( 0.2708333 0.5000000 -0.0000000), wk = 0.0053476 k( 40) = ( 0.2916667 0.5000000 -0.0000000), wk = 0.0053476 k( 41) = ( 0.3125000 0.5000000 -0.0000000), wk = 0.0053476 k( 42) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0053476 k( 43) = ( 0.3541667 0.5000000 -0.0000000), wk = 0.0053476 k( 44) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0053476 k( 45) = ( 0.3958333 0.5000000 -0.0000000), wk = 0.0053476 k( 46) = ( 0.4166667 0.5000000 -0.0000000), wk = 0.0053476 k( 47) = ( 0.4375000 0.5000000 -0.0000000), wk = 0.0053476 k( 48) = ( 0.4583333 0.5000000 -0.0000000), wk = 0.0053476 k( 49) = ( 0.4791667 0.5000000 -0.0000000), wk = 0.0053476 k( 50) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0053476 k( 51) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0053476 k( 52) = ( 0.4852941 0.4852941 -0.0000000), wk = 0.0053476 k( 53) = ( 0.4705882 0.4705882 -0.0000000), wk = 0.0053476 k( 54) = ( 0.4558823 0.4558823 -0.0000000), wk = 0.0053476 k( 55) = ( 0.4411765 0.4411765 -0.0000000), wk = 0.0053476 k( 56) = ( 0.4264706 0.4264706 -0.0000000), wk = 0.0053476 k( 57) = ( 0.4117647 0.4117647 -0.0000000), wk = 0.0053476 k( 58) = ( 0.3970588 0.3970588 -0.0000000), wk = 0.0053476 k( 59) = ( 0.3823529 0.3823529 -0.0000000), wk = 0.0053476 k( 60) = ( 0.3676471 0.3676471 -0.0000000), wk = 0.0053476 k( 61) = ( 0.3529412 0.3529412 -0.0000000), wk = 0.0053476 k( 62) = ( 0.3382353 0.3382353 -0.0000000), wk = 0.0053476 k( 63) = ( 0.3235294 0.3235294 -0.0000000), wk = 0.0053476 k( 64) = ( 0.3088235 0.3088235 -0.0000000), wk = 0.0053476 k( 65) = ( 0.2941177 0.2941176 -0.0000000), wk = 0.0053476 k( 66) = ( 0.2794118 0.2794118 -0.0000000), wk = 0.0053476 k( 67) = ( 0.2647059 0.2647059 -0.0000000), wk = 0.0053476 k( 68) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0053476 k( 69) = ( 0.2352941 0.2352941 -0.0000000), wk = 0.0053476 k( 70) = ( 0.2205882 0.2205882 -0.0000000), wk = 0.0053476 k( 71) = ( 0.2058823 0.2058823 -0.0000000), wk = 0.0053476 k( 72) = ( 0.1911765 0.1911765 -0.0000000), wk = 0.0053476 k( 73) = ( 0.1764706 0.1764706 -0.0000000), wk = 0.0053476 k( 74) = ( 0.1617647 0.1617647 -0.0000000), wk = 0.0053476 k( 75) = ( 0.1470588 0.1470588 -0.0000000), wk = 0.0053476 k( 76) = ( 0.1323529 0.1323529 -0.0000000), wk = 0.0053476 k( 77) = ( 0.1176471 0.1176471 -0.0000000), wk = 0.0053476 k( 78) = ( 0.1029412 0.1029412 -0.0000000), wk = 0.0053476 k( 79) = ( 0.0882353 0.0882353 -0.0000000), wk = 0.0053476 k( 80) = ( 0.0735294 0.0735294 -0.0000000), wk = 0.0053476 k( 81) = ( 0.0588235 0.0588235 -0.0000000), wk = 0.0053476 k( 82) = ( 0.0441177 0.0441176 -0.0000000), wk = 0.0053476 k( 83) = ( 0.0294118 0.0294118 -0.0000000), wk = 0.0053476 k( 84) = ( 0.0147059 0.0147059 -0.0000000), wk = 0.0053476 k( 85) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0053476 k( 86) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0053476 k( 87) = ( 0.0121951 0.0121951 0.0121951), wk = 0.0053476 k( 88) = ( 0.0243902 0.0243902 0.0243902), wk = 0.0053476 k( 89) = ( 0.0365854 0.0365854 0.0365854), wk = 0.0053476 k( 90) = ( 0.0487805 0.0487805 0.0487805), wk = 0.0053476 k( 91) = ( 0.0609756 0.0609756 0.0609756), wk = 0.0053476 k( 92) = ( 0.0731707 0.0731707 0.0731707), wk = 0.0053476 k( 93) = ( 0.0853658 0.0853658 0.0853658), wk = 0.0053476 k( 94) = ( 0.0975610 0.0975610 0.0975610), wk = 0.0053476 k( 95) = ( 0.1097561 0.1097561 0.1097561), wk = 0.0053476 k( 96) = ( 0.1219512 0.1219512 0.1219512), wk = 0.0053476 k( 97) = ( 0.1341463 0.1341463 0.1341463), wk = 0.0053476 k( 98) = ( 0.1463415 0.1463415 0.1463415), wk = 0.0053476 k( 99) = ( 0.1585366 0.1585366 0.1585366), wk = 0.0053476 k( 100) = ( 0.1707317 0.1707317 0.1707317), wk = 0.0053476 k( 101) = ( 0.1829268 0.1829268 0.1829268), wk = 0.0053476 k( 102) = ( 0.1951219 0.1951219 0.1951219), wk = 0.0053476 k( 103) = ( 0.2073171 0.2073171 0.2073171), wk = 0.0053476 k( 104) = ( 0.2195122 0.2195122 0.2195122), wk = 0.0053476 k( 105) = ( 0.2317073 0.2317073 0.2317073), wk = 0.0053476 k( 106) = ( 0.2439024 0.2439024 0.2439024), wk = 0.0053476 k( 107) = ( 0.2560976 0.2560976 0.2560976), wk = 0.0053476 k( 108) = ( 0.2682927 0.2682927 0.2682927), wk = 0.0053476 k( 109) = ( 0.2804878 0.2804878 0.2804878), wk = 0.0053476 k( 110) = ( 0.2926829 0.2926829 0.2926829), wk = 0.0053476 k( 111) = ( 0.3048781 0.3048780 0.3048780), wk = 0.0053476 k( 112) = ( 0.3170732 0.3170732 0.3170732), wk = 0.0053476 k( 113) = ( 0.3292683 0.3292683 0.3292683), wk = 0.0053476 k( 114) = ( 0.3414634 0.3414634 0.3414634), wk = 0.0053476 k( 115) = ( 0.3536585 0.3536585 0.3536585), wk = 0.0053476 k( 116) = ( 0.3658537 0.3658537 0.3658537), wk = 0.0053476 k( 117) = ( 0.3780488 0.3780488 0.3780488), wk = 0.0053476 k( 118) = ( 0.3902439 0.3902439 0.3902439), wk = 0.0053476 k( 119) = ( 0.4024390 0.4024390 0.4024390), wk = 0.0053476 k( 120) = ( 0.4146341 0.4146341 0.4146341), wk = 0.0053476 k( 121) = ( 0.4268293 0.4268293 0.4268293), wk = 0.0053476 k( 122) = ( 0.4390244 0.4390244 0.4390244), wk = 0.0053476 k( 123) = ( 0.4512195 0.4512195 0.4512195), wk = 0.0053476 k( 124) = ( 0.4634146 0.4634146 0.4634146), wk = 0.0053476 k( 125) = ( 0.4756098 0.4756098 0.4756098), wk = 0.0053476 k( 126) = ( 0.4878049 0.4878049 0.4878049), wk = 0.0053476 k( 127) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0053476 k( 128) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0053476 k( 129) = ( 0.4852941 0.5000000 0.4852941), wk = 0.0053476 k( 130) = ( 0.4705882 0.5000000 0.4705882), wk = 0.0053476 k( 131) = ( 0.4558823 0.5000000 0.4558823), wk = 0.0053476 k( 132) = ( 0.4411765 0.5000000 0.4411765), wk = 0.0053476 k( 133) = ( 0.4264706 0.5000000 0.4264706), wk = 0.0053476 k( 134) = ( 0.4117647 0.5000000 0.4117647), wk = 0.0053476 k( 135) = ( 0.3970588 0.5000000 0.3970588), wk = 0.0053476 k( 136) = ( 0.3823529 0.5000000 0.3823529), wk = 0.0053476 k( 137) = ( 0.3676471 0.5000000 0.3676471), wk = 0.0053476 k( 138) = ( 0.3529412 0.5000000 0.3529412), wk = 0.0053476 k( 139) = ( 0.3382353 0.5000000 0.3382353), wk = 0.0053476 k( 140) = ( 0.3235294 0.5000000 0.3235294), wk = 0.0053476 k( 141) = ( 0.3088235 0.5000000 0.3088235), wk = 0.0053476 k( 142) = ( 0.2941177 0.5000000 0.2941176), wk = 0.0053476 k( 143) = ( 0.2794118 0.5000000 0.2794118), wk = 0.0053476 k( 144) = ( 0.2647059 0.5000000 0.2647059), wk = 0.0053476 k( 145) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0053476 k( 146) = ( 0.2352941 0.5000000 0.2352941), wk = 0.0053476 k( 147) = ( 0.2205882 0.5000000 0.2205882), wk = 0.0053476 k( 148) = ( 0.2058823 0.5000000 0.2058823), wk = 0.0053476 k( 149) = ( 0.1911765 0.5000000 0.1911765), wk = 0.0053476 k( 150) = ( 0.1764706 0.5000000 0.1764706), wk = 0.0053476 k( 151) = ( 0.1617647 0.5000000 0.1617647), wk = 0.0053476 k( 152) = ( 0.1470588 0.5000000 0.1470588), wk = 0.0053476 k( 153) = ( 0.1323529 0.5000000 0.1323529), wk = 0.0053476 k( 154) = ( 0.1176471 0.5000000 0.1176471), wk = 0.0053476 k( 155) = ( 0.1029412 0.5000000 0.1029412), wk = 0.0053476 k( 156) = ( 0.0882353 0.5000000 0.0882353), wk = 0.0053476 k( 157) = ( 0.0735294 0.5000000 0.0735294), wk = 0.0053476 k( 158) = ( 0.0588235 0.5000000 0.0588235), wk = 0.0053476 k( 159) = ( 0.0441177 0.5000000 0.0441176), wk = 0.0053476 k( 160) = ( 0.0294118 0.5000000 0.0294118), wk = 0.0053476 k( 161) = ( 0.0147059 0.5000000 0.0147059), wk = 0.0053476 k( 162) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0053476 k( 163) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0053476 k( 164) = ( 0.5000000 0.5000000 0.0208333), wk = 0.0053476 k( 165) = ( 0.5000000 0.5000000 0.0416667), wk = 0.0053476 k( 166) = ( 0.5000000 0.5000000 0.0625000), wk = 0.0053476 k( 167) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0053476 k( 168) = ( 0.5000000 0.5000000 0.1041667), wk = 0.0053476 k( 169) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0053476 k( 170) = ( 0.5000000 0.5000000 0.1458333), wk = 0.0053476 k( 171) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0053476 k( 172) = ( 0.5000000 0.5000000 0.1875000), wk = 0.0053476 k( 173) = ( 0.5000000 0.5000000 0.2083333), wk = 0.0053476 k( 174) = ( 0.5000000 0.5000000 0.2291667), wk = 0.0053476 k( 175) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0053476 k( 176) = ( 0.5000000 0.5000000 0.2708333), wk = 0.0053476 k( 177) = ( 0.5000000 0.5000000 0.2916667), wk = 0.0053476 k( 178) = ( 0.5000000 0.5000000 0.3125000), wk = 0.0053476 k( 179) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0053476 k( 180) = ( 0.5000000 0.5000000 0.3541667), wk = 0.0053476 k( 181) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0053476 k( 182) = ( 0.5000000 0.5000000 0.3958333), wk = 0.0053476 k( 183) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0053476 k( 184) = ( 0.5000000 0.5000000 0.4375000), wk = 0.0053476 k( 185) = ( 0.5000000 0.5000000 0.4583333), wk = 0.0053476 k( 186) = ( 0.5000000 0.5000000 0.4791667), wk = 0.0053476 k( 187) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0053476 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0053476 k( 2) = ( 0.0000000 0.0208333 0.0000000), wk = 0.0053476 k( 3) = ( 0.0000000 0.0416667 0.0000000), wk = 0.0053476 k( 4) = ( 0.0000000 0.0625000 0.0000000), wk = 0.0053476 k( 5) = ( 0.0000000 0.0833333 0.0000000), wk = 0.0053476 k( 6) = ( 0.0000000 0.1041667 0.0000000), wk = 0.0053476 k( 7) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0053476 k( 8) = ( 0.0000000 0.1458333 0.0000000), wk = 0.0053476 k( 9) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0053476 k( 10) = ( 0.0000000 0.1875000 0.0000000), wk = 0.0053476 k( 11) = ( 0.0000000 0.2083333 0.0000000), wk = 0.0053476 k( 12) = ( 0.0000000 0.2291667 0.0000000), wk = 0.0053476 k( 13) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0053476 k( 14) = ( 0.0000000 0.2708333 0.0000000), wk = 0.0053476 k( 15) = ( 0.0000000 0.2916667 0.0000000), wk = 0.0053476 k( 16) = ( 0.0000000 0.3125000 0.0000000), wk = 0.0053476 k( 17) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0053476 k( 18) = ( 0.0000000 0.3541667 0.0000000), wk = 0.0053476 k( 19) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0053476 k( 20) = ( 0.0000000 0.3958333 0.0000000), wk = 0.0053476 k( 21) = ( 0.0000000 0.4166667 0.0000000), wk = 0.0053476 k( 22) = ( 0.0000000 0.4375000 0.0000000), wk = 0.0053476 k( 23) = ( 0.0000000 0.4583333 0.0000000), wk = 0.0053476 k( 24) = ( 0.0000000 0.4791667 0.0000000), wk = 0.0053476 k( 25) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0053476 k( 26) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0053476 k( 27) = ( 0.0208333 0.5000000 0.0000000), wk = 0.0053476 k( 28) = ( 0.0416667 0.5000000 0.0000000), wk = 0.0053476 k( 29) = ( 0.0625000 0.5000000 0.0000000), wk = 0.0053476 k( 30) = ( 0.0833333 0.5000000 0.0000000), wk = 0.0053476 k( 31) = ( 0.1041667 0.5000000 0.0000000), wk = 0.0053476 k( 32) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0053476 k( 33) = ( 0.1458333 0.5000000 0.0000000), wk = 0.0053476 k( 34) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0053476 k( 35) = ( 0.1875000 0.5000000 0.0000000), wk = 0.0053476 k( 36) = ( 0.2083333 0.5000000 0.0000000), wk = 0.0053476 k( 37) = ( 0.2291667 0.5000000 0.0000000), wk = 0.0053476 k( 38) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0053476 k( 39) = ( 0.2708333 0.5000000 0.0000000), wk = 0.0053476 k( 40) = ( 0.2916667 0.5000000 -0.0000000), wk = 0.0053476 k( 41) = ( 0.3125000 0.5000000 0.0000000), wk = 0.0053476 k( 42) = ( 0.3333333 0.5000000 0.0000000), wk = 0.0053476 k( 43) = ( 0.3541667 0.5000000 0.0000000), wk = 0.0053476 k( 44) = ( 0.3750000 0.5000000 0.0000000), wk = 0.0053476 k( 45) = ( 0.3958333 0.5000000 0.0000000), wk = 0.0053476 k( 46) = ( 0.4166667 0.5000000 0.0000000), wk = 0.0053476 k( 47) = ( 0.4375000 0.5000000 0.0000000), wk = 0.0053476 k( 48) = ( 0.4583333 0.5000000 0.0000000), wk = 0.0053476 k( 49) = ( 0.4791667 0.5000000 0.0000000), wk = 0.0053476 k( 50) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0053476 k( 51) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0053476 k( 52) = ( 0.4852941 0.4852941 0.0000000), wk = 0.0053476 k( 53) = ( 0.4705882 0.4705882 0.0000000), wk = 0.0053476 k( 54) = ( 0.4558823 0.4558823 0.0000000), wk = 0.0053476 k( 55) = ( 0.4411765 0.4411765 -0.0000000), wk = 0.0053476 k( 56) = ( 0.4264706 0.4264706 0.0000000), wk = 0.0053476 k( 57) = ( 0.4117647 0.4117647 0.0000000), wk = 0.0053476 k( 58) = ( 0.3970588 0.3970588 0.0000000), wk = 0.0053476 k( 59) = ( 0.3823529 0.3823529 -0.0000000), wk = 0.0053476 k( 60) = ( 0.3676471 0.3676471 0.0000000), wk = 0.0053476 k( 61) = ( 0.3529412 0.3529412 0.0000000), wk = 0.0053476 k( 62) = ( 0.3382353 0.3382353 0.0000000), wk = 0.0053476 k( 63) = ( 0.3235294 0.3235294 -0.0000000), wk = 0.0053476 k( 64) = ( 0.3088235 0.3088235 0.0000000), wk = 0.0053476 k( 65) = ( 0.2941177 0.2941177 0.0000000), wk = 0.0053476 k( 66) = ( 0.2794118 0.2794118 0.0000000), wk = 0.0053476 k( 67) = ( 0.2647059 0.2647059 0.0000000), wk = 0.0053476 k( 68) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0053476 k( 69) = ( 0.2352941 0.2352941 0.0000000), wk = 0.0053476 k( 70) = ( 0.2205882 0.2205882 0.0000000), wk = 0.0053476 k( 71) = ( 0.2058823 0.2058823 0.0000000), wk = 0.0053476 k( 72) = ( 0.1911765 0.1911765 -0.0000000), wk = 0.0053476 k( 73) = ( 0.1764706 0.1764706 0.0000000), wk = 0.0053476 k( 74) = ( 0.1617647 0.1617647 0.0000000), wk = 0.0053476 k( 75) = ( 0.1470588 0.1470588 0.0000000), wk = 0.0053476 k( 76) = ( 0.1323529 0.1323529 0.0000000), wk = 0.0053476 k( 77) = ( 0.1176471 0.1176471 0.0000000), wk = 0.0053476 k( 78) = ( 0.1029412 0.1029412 0.0000000), wk = 0.0053476 k( 79) = ( 0.0882353 0.0882353 -0.0000000), wk = 0.0053476 k( 80) = ( 0.0735294 0.0735294 0.0000000), wk = 0.0053476 k( 81) = ( 0.0588235 0.0588235 0.0000000), wk = 0.0053476 k( 82) = ( 0.0441177 0.0441177 -0.0000000), wk = 0.0053476 k( 83) = ( 0.0294118 0.0294118 0.0000000), wk = 0.0053476 k( 84) = ( 0.0147059 0.0147059 0.0000000), wk = 0.0053476 k( 85) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0053476 k( 86) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0053476 k( 87) = ( 0.0121951 0.0121951 0.0121951), wk = 0.0053476 k( 88) = ( 0.0243902 0.0243902 0.0243902), wk = 0.0053476 k( 89) = ( 0.0365854 0.0365854 0.0365854), wk = 0.0053476 k( 90) = ( 0.0487805 0.0487805 0.0487805), wk = 0.0053476 k( 91) = ( 0.0609756 0.0609756 0.0609756), wk = 0.0053476 k( 92) = ( 0.0731707 0.0731707 0.0731707), wk = 0.0053476 k( 93) = ( 0.0853658 0.0853658 0.0853658), wk = 0.0053476 k( 94) = ( 0.0975610 0.0975610 0.0975610), wk = 0.0053476 k( 95) = ( 0.1097561 0.1097561 0.1097561), wk = 0.0053476 k( 96) = ( 0.1219512 0.1219512 0.1219512), wk = 0.0053476 k( 97) = ( 0.1341463 0.1341463 0.1341463), wk = 0.0053476 k( 98) = ( 0.1463415 0.1463415 0.1463415), wk = 0.0053476 k( 99) = ( 0.1585366 0.1585366 0.1585366), wk = 0.0053476 k( 100) = ( 0.1707317 0.1707317 0.1707317), wk = 0.0053476 k( 101) = ( 0.1829268 0.1829268 0.1829268), wk = 0.0053476 k( 102) = ( 0.1951219 0.1951219 0.1951219), wk = 0.0053476 k( 103) = ( 0.2073171 0.2073171 0.2073171), wk = 0.0053476 k( 104) = ( 0.2195122 0.2195122 0.2195122), wk = 0.0053476 k( 105) = ( 0.2317073 0.2317073 0.2317073), wk = 0.0053476 k( 106) = ( 0.2439024 0.2439024 0.2439024), wk = 0.0053476 k( 107) = ( 0.2560976 0.2560976 0.2560976), wk = 0.0053476 k( 108) = ( 0.2682927 0.2682927 0.2682927), wk = 0.0053476 k( 109) = ( 0.2804878 0.2804878 0.2804878), wk = 0.0053476 k( 110) = ( 0.2926829 0.2926829 0.2926829), wk = 0.0053476 k( 111) = ( 0.3048781 0.3048781 0.3048781), wk = 0.0053476 k( 112) = ( 0.3170732 0.3170732 0.3170732), wk = 0.0053476 k( 113) = ( 0.3292683 0.3292683 0.3292683), wk = 0.0053476 k( 114) = ( 0.3414634 0.3414634 0.3414634), wk = 0.0053476 k( 115) = ( 0.3536585 0.3536585 0.3536585), wk = 0.0053476 k( 116) = ( 0.3658537 0.3658537 0.3658537), wk = 0.0053476 k( 117) = ( 0.3780488 0.3780488 0.3780488), wk = 0.0053476 k( 118) = ( 0.3902439 0.3902439 0.3902439), wk = 0.0053476 k( 119) = ( 0.4024390 0.4024390 0.4024390), wk = 0.0053476 k( 120) = ( 0.4146341 0.4146341 0.4146341), wk = 0.0053476 k( 121) = ( 0.4268293 0.4268293 0.4268293), wk = 0.0053476 k( 122) = ( 0.4390244 0.4390244 0.4390244), wk = 0.0053476 k( 123) = ( 0.4512195 0.4512195 0.4512195), wk = 0.0053476 k( 124) = ( 0.4634146 0.4634146 0.4634146), wk = 0.0053476 k( 125) = ( 0.4756098 0.4756098 0.4756098), wk = 0.0053476 k( 126) = ( 0.4878049 0.4878049 0.4878049), wk = 0.0053476 k( 127) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0053476 k( 128) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0053476 k( 129) = ( 0.4852941 0.5000000 0.4852941), wk = 0.0053476 k( 130) = ( 0.4705882 0.5000000 0.4705882), wk = 0.0053476 k( 131) = ( 0.4558823 0.5000000 0.4558823), wk = 0.0053476 k( 132) = ( 0.4411765 0.5000000 0.4411765), wk = 0.0053476 k( 133) = ( 0.4264706 0.5000000 0.4264706), wk = 0.0053476 k( 134) = ( 0.4117647 0.5000000 0.4117647), wk = 0.0053476 k( 135) = ( 0.3970588 0.5000000 0.3970588), wk = 0.0053476 k( 136) = ( 0.3823529 0.5000000 0.3823529), wk = 0.0053476 k( 137) = ( 0.3676471 0.5000000 0.3676471), wk = 0.0053476 k( 138) = ( 0.3529412 0.5000000 0.3529412), wk = 0.0053476 k( 139) = ( 0.3382353 0.5000000 0.3382353), wk = 0.0053476 k( 140) = ( 0.3235294 0.5000000 0.3235294), wk = 0.0053476 k( 141) = ( 0.3088235 0.5000000 0.3088235), wk = 0.0053476 k( 142) = ( 0.2941177 0.5000000 0.2941177), wk = 0.0053476 k( 143) = ( 0.2794118 0.5000000 0.2794118), wk = 0.0053476 k( 144) = ( 0.2647059 0.5000000 0.2647059), wk = 0.0053476 k( 145) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0053476 k( 146) = ( 0.2352941 0.5000000 0.2352941), wk = 0.0053476 k( 147) = ( 0.2205882 0.5000000 0.2205882), wk = 0.0053476 k( 148) = ( 0.2058823 0.5000000 0.2058823), wk = 0.0053476 k( 149) = ( 0.1911765 0.5000000 0.1911765), wk = 0.0053476 k( 150) = ( 0.1764706 0.5000000 0.1764706), wk = 0.0053476 k( 151) = ( 0.1617647 0.5000000 0.1617647), wk = 0.0053476 k( 152) = ( 0.1470588 0.5000000 0.1470588), wk = 0.0053476 k( 153) = ( 0.1323529 0.5000000 0.1323529), wk = 0.0053476 k( 154) = ( 0.1176471 0.5000000 0.1176471), wk = 0.0053476 k( 155) = ( 0.1029412 0.5000000 0.1029412), wk = 0.0053476 k( 156) = ( 0.0882353 0.5000000 0.0882353), wk = 0.0053476 k( 157) = ( 0.0735294 0.5000000 0.0735294), wk = 0.0053476 k( 158) = ( 0.0588235 0.5000000 0.0588235), wk = 0.0053476 k( 159) = ( 0.0441177 0.5000000 0.0441177), wk = 0.0053476 k( 160) = ( 0.0294118 0.5000000 0.0294118), wk = 0.0053476 k( 161) = ( 0.0147059 0.5000000 0.0147059), wk = 0.0053476 k( 162) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0053476 k( 163) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0053476 k( 164) = ( 0.5000000 0.5000000 0.0208333), wk = 0.0053476 k( 165) = ( 0.5000000 0.5000000 0.0416667), wk = 0.0053476 k( 166) = ( 0.5000000 0.5000000 0.0625000), wk = 0.0053476 k( 167) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0053476 k( 168) = ( 0.5000000 0.5000000 0.1041667), wk = 0.0053476 k( 169) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0053476 k( 170) = ( 0.5000000 0.5000000 0.1458333), wk = 0.0053476 k( 171) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0053476 k( 172) = ( 0.5000000 0.5000000 0.1875000), wk = 0.0053476 k( 173) = ( 0.5000000 0.5000000 0.2083333), wk = 0.0053476 k( 174) = ( 0.5000000 0.5000000 0.2291667), wk = 0.0053476 k( 175) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0053476 k( 176) = ( 0.5000000 0.5000000 0.2708333), wk = 0.0053476 k( 177) = ( 0.5000000 0.5000000 0.2916667), wk = 0.0053476 k( 178) = ( 0.5000000 0.5000000 0.3125000), wk = 0.0053476 k( 179) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0053476 k( 180) = ( 0.5000000 0.5000000 0.3541667), wk = 0.0053476 k( 181) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0053476 k( 182) = ( 0.5000000 0.5000000 0.3958333), wk = 0.0053476 k( 183) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0053476 k( 184) = ( 0.5000000 0.5000000 0.4375000), wk = 0.0053476 k( 185) = ( 0.5000000 0.5000000 0.4583333), wk = 0.0053476 k( 186) = ( 0.5000000 0.5000000 0.4791667), wk = 0.0053476 k( 187) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0053476 Dense grid: 92469 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 80581 G-vectors FFT dimensions: ( 54, 54, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.38 Mb ( 288, 86) NL pseudopotentials 0.91 Mb ( 144, 412) Each V/rho on FFT grid 0.05 Mb ( 3600) Each G-vector array 0.01 Mb ( 1284) G-vector shells 0.00 Mb ( 395) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.51 Mb ( 288, 344) Each subspace H/S matrix 0.05 Mb ( 57, 57) Each matrix 1.08 Mb ( 412, 2, 86) The potential is recalculated from file : ./BaSi2.save/charge-density.dat Starting wfc are 104 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 5.7 secs Computing kpt #: 2 total cpu time spent up to now is 8.1 secs Computing kpt #: 3 total cpu time spent up to now is 10.5 secs Computing kpt #: 4 total cpu time spent up to now is 13.0 secs Computing kpt #: 5 total cpu time spent up to now is 15.3 secs Computing kpt #: 6 total cpu time spent up to now is 17.6 secs Computing kpt #: 7 total cpu time spent up to now is 19.9 secs Computing kpt #: 8 total cpu time spent up to now is 22.2 secs Computing kpt #: 9 total cpu time spent up to now is 24.4 secs Computing kpt #: 10 total cpu time spent up to now is 26.6 secs Computing kpt #: 11 total cpu time spent up to now is 28.8 secs Computing kpt #: 12 total cpu time spent up to now is 30.9 secs Computing kpt #: 13 total cpu time spent up to now is 33.3 secs Computing kpt #: 14 total cpu time spent up to now is 35.5 secs Computing kpt #: 15 total cpu time spent up to now is 37.9 secs Computing kpt #: 16 total cpu time spent up to now is 40.2 secs Computing kpt #: 17 total cpu time spent up to now is 42.6 secs Computing kpt #: 18 total cpu time spent up to now is 44.9 secs Computing kpt #: 19 total cpu time spent up to now is 47.3 secs Computing kpt #: 20 total cpu time spent up to now is 50.7 secs Computing kpt #: 21 total cpu time spent up to now is 53.5 secs Computing kpt #: 22 total cpu time spent up to now is 56.0 secs Computing kpt #: 23 total cpu time spent up to now is 58.9 secs Computing kpt #: 24 total cpu time spent up to now is 62.0 secs Computing kpt #: 25 total cpu time spent up to now is 65.0 secs Computing kpt #: 26 total cpu time spent up to now is 67.8 secs Computing kpt #: 27 total cpu time spent up to now is 70.8 secs Computing kpt #: 28 total cpu time spent up to now is 73.6 secs Computing kpt #: 29 total cpu time spent up to now is 76.4 secs Computing kpt #: 30 total cpu time spent up to now is 79.4 secs Computing kpt #: 31 total cpu time spent up to now is 82.4 secs Computing kpt #: 32 total cpu time spent up to now is 85.4 secs Computing kpt #: 33 total cpu time spent up to now is 88.4 secs Computing kpt #: 34 total cpu time spent up to now is 91.3 secs Computing kpt #: 35 total cpu time spent up to now is 94.3 secs Computing kpt #: 36 total cpu time spent up to now is 97.4 secs Computing kpt #: 37 total cpu time spent up to now is 100.7 secs Computing kpt #: 38 total cpu time spent up to now is 103.8 secs Computing kpt #: 39 total cpu time spent up to now is 106.8 secs Computing kpt #: 40 total cpu time spent up to now is 110.0 secs Computing kpt #: 41 total cpu time spent up to now is 113.0 secs Computing kpt #: 42 total cpu time spent up to now is 116.1 secs Computing kpt #: 43 total cpu time spent up to now is 119.2 secs Computing kpt #: 44 total cpu time spent up to now is 122.3 secs Computing kpt #: 45 total cpu time spent up to now is 126.4 secs Computing kpt #: 46 total cpu time spent up to now is 129.4 secs Computing kpt #: 47 total cpu time spent up to now is 133.5 secs Computing kpt #: 48 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 138.4 secs Computing kpt #: 49 total cpu time spent up to now is 142.5 secs Computing kpt #: 50 total cpu time spent up to now is 144.7 secs Computing kpt #: 51 total cpu time spent up to now is 146.9 secs Computing kpt #: 52 total cpu time spent up to now is 151.1 secs Computing kpt #: 53 total cpu time spent up to now is 155.4 secs Computing kpt #: 54 total cpu time spent up to now is 158.4 secs Computing kpt #: 55 total cpu time spent up to now is 161.3 secs Computing kpt #: 56 total cpu time spent up to now is 164.1 secs Computing kpt #: 57 total cpu time spent up to now is 166.8 secs Computing kpt #: 58 total cpu time spent up to now is 169.5 secs Computing kpt #: 59 total cpu time spent up to now is 171.9 secs Computing kpt #: 60 total cpu time spent up to now is 174.3 secs Computing kpt #: 61 total cpu time spent up to now is 176.7 secs Computing kpt #: 62 total cpu time spent up to now is 179.1 secs Computing kpt #: 63 total cpu time spent up to now is 181.5 secs Computing kpt #: 64 total cpu time spent up to now is 184.2 secs Computing kpt #: 65 total cpu time spent up to now is 186.8 secs Computing kpt #: 66 total cpu time spent up to now is 189.7 secs Computing kpt #: 67 total cpu time spent up to now is 192.9 secs Computing kpt #: 68 total cpu time spent up to now is 195.3 secs Computing kpt #: 69 total cpu time spent up to now is 197.7 secs Computing kpt #: 70 total cpu time spent up to now is 200.8 secs Computing kpt #: 71 total cpu time spent up to now is 202.9 secs Computing kpt #: 72 total cpu time spent up to now is 205.0 secs Computing kpt #: 73 total cpu time spent up to now is 207.1 secs Computing kpt #: 74 total cpu time spent up to now is 209.2 secs Computing kpt #: 75 total cpu time spent up to now is 211.3 secs Computing kpt #: 76 total cpu time spent up to now is 213.4 secs Computing kpt #: 77 total cpu time spent up to now is 215.6 secs Computing kpt #: 78 total cpu time spent up to now is 217.8 secs Computing kpt #: 79 total cpu time spent up to now is 220.1 secs Computing kpt #: 80 total cpu time spent up to now is 222.5 secs Computing kpt #: 81 total cpu time spent up to now is 224.9 secs Computing kpt #: 82 total cpu time spent up to now is 229.4 secs Computing kpt #: 83 total cpu time spent up to now is 231.8 secs Computing kpt #: 84 total cpu time spent up to now is 234.2 secs Computing kpt #: 85 total cpu time spent up to now is 236.5 secs Computing kpt #: 86 total cpu time spent up to now is 238.9 secs Computing kpt #: 87 total cpu time spent up to now is 241.4 secs Computing kpt #: 88 total cpu time spent up to now is 243.6 secs Computing kpt #: 89 total cpu time spent up to now is 245.9 secs Computing kpt #: 90 total cpu time spent up to now is 248.3 secs Computing kpt #: 91 total cpu time spent up to now is 250.6 secs Computing kpt #: 92 total cpu time spent up to now is 252.8 secs Computing kpt #: 93 total cpu time spent up to now is 255.0 secs Computing kpt #: 94 total cpu time spent up to now is 257.2 secs Computing kpt #: 95 total cpu time spent up to now is 259.4 secs Computing kpt #: 96 total cpu time spent up to now is 261.5 secs Computing kpt #: 97 total cpu time spent up to now is 263.7 secs Computing kpt #: 98 total cpu time spent up to now is 266.0 secs Computing kpt #: 99 total cpu time spent up to now is 268.3 secs Computing kpt #: 100 total cpu time spent up to now is 270.7 secs Computing kpt #: 101 total cpu time spent up to now is 274.9 secs Computing kpt #: 102 total cpu time spent up to now is 277.3 secs Computing kpt #: 103 total cpu time spent up to now is 279.6 secs Computing kpt #: 104 total cpu time spent up to now is 282.0 secs Computing kpt #: 105 total cpu time spent up to now is 284.2 secs Computing kpt #: 106 total cpu time spent up to now is 286.4 secs Computing kpt #: 107 total cpu time spent up to now is 288.5 secs Computing kpt #: 108 total cpu time spent up to now is 290.8 secs Computing kpt #: 109 total cpu time spent up to now is 293.1 secs Computing kpt #: 110 total cpu time spent up to now is 295.5 secs Computing kpt #: 111 total cpu time spent up to now is 298.0 secs Computing kpt #: 112 total cpu time spent up to now is 301.5 secs Computing kpt #: 113 total cpu time spent up to now is 305.6 secs Computing kpt #: 114 total cpu time spent up to now is 308.4 secs Computing kpt #: 115 total cpu time spent up to now is 311.4 secs Computing kpt #: 116 total cpu time spent up to now is 313.9 secs Computing kpt #: 117 total cpu time spent up to now is 316.4 secs Computing kpt #: 118 total cpu time spent up to now is 319.0 secs Computing kpt #: 119 total cpu time spent up to now is 321.4 secs Computing kpt #: 120 total cpu time spent up to now is 323.8 secs Computing kpt #: 121 total cpu time spent up to now is 326.2 secs Computing kpt #: 122 total cpu time spent up to now is 328.6 secs Computing kpt #: 123 total cpu time spent up to now is 331.0 secs Computing kpt #: 124 total cpu time spent up to now is 333.5 secs Computing kpt #: 125 total cpu time spent up to now is 336.0 secs Computing kpt #: 126 total cpu time spent up to now is 338.5 secs Computing kpt #: 127 total cpu time spent up to now is 340.5 secs Computing kpt #: 128 total cpu time spent up to now is 342.7 secs Computing kpt #: 129 total cpu time spent up to now is 345.1 secs Computing kpt #: 130 total cpu time spent up to now is 347.6 secs Computing kpt #: 131 total cpu time spent up to now is 350.4 secs Computing kpt #: 132 total cpu time spent up to now is 352.9 secs Computing kpt #: 133 total cpu time spent up to now is 355.8 secs Computing kpt #: 134 total cpu time spent up to now is 358.7 secs Computing kpt #: 135 total cpu time spent up to now is 361.8 secs Computing kpt #: 136 total cpu time spent up to now is 364.6 secs Computing kpt #: 137 total cpu time spent up to now is 367.4 secs Computing kpt #: 138 total cpu time spent up to now is 370.3 secs Computing kpt #: 139 total cpu time spent up to now is 373.2 secs Computing kpt #: 140 total cpu time spent up to now is 376.1 secs Computing kpt #: 141 total cpu time spent up to now is 379.1 secs Computing kpt #: 142 total cpu time spent up to now is 382.1 secs Computing kpt #: 143 total cpu time spent up to now is 386.3 secs Computing kpt #: 144 total cpu time spent up to now is 389.3 secs Computing kpt #: 145 total cpu time spent up to now is 392.2 secs Computing kpt #: 146 total cpu time spent up to now is 395.1 secs Computing kpt #: 147 total cpu time spent up to now is 398.4 secs Computing kpt #: 148 total cpu time spent up to now is 401.3 secs Computing kpt #: 149 total cpu time spent up to now is 404.0 secs Computing kpt #: 150 total cpu time spent up to now is 407.2 secs Computing kpt #: 151 total cpu time spent up to now is 409.9 secs Computing kpt #: 152 total cpu time spent up to now is 413.0 secs Computing kpt #: 153 total cpu time spent up to now is 415.9 secs Computing kpt #: 154 total cpu time spent up to now is 419.0 secs Computing kpt #: 155 total cpu time spent up to now is 422.2 secs Computing kpt #: 156 total cpu time spent up to now is 425.1 secs Computing kpt #: 157 total cpu time spent up to now is 428.1 secs Computing kpt #: 158 total cpu time spent up to now is 431.0 secs Computing kpt #: 159 total cpu time spent up to now is 434.0 secs Computing kpt #: 160 total cpu time spent up to now is 436.9 secs Computing kpt #: 161 total cpu time spent up to now is 439.7 secs Computing kpt #: 162 total cpu time spent up to now is 442.6 secs Computing kpt #: 163 total cpu time spent up to now is 444.8 secs Computing kpt #: 164 total cpu time spent up to now is 447.7 secs Computing kpt #: 165 total cpu time spent up to now is 451.0 secs Computing kpt #: 166 total cpu time spent up to now is 454.1 secs Computing kpt #: 167 total cpu time spent up to now is 457.1 secs Computing kpt #: 168 total cpu time spent up to now is 460.0 secs Computing kpt #: 169 total cpu time spent up to now is 463.0 secs Computing kpt #: 170 total cpu time spent up to now is 465.9 secs Computing kpt #: 171 total cpu time spent up to now is 468.9 secs Computing kpt #: 172 total cpu time spent up to now is 471.7 secs Computing kpt #: 173 total cpu time spent up to now is 474.6 secs Computing kpt #: 174 total cpu time spent up to now is 477.5 secs Computing kpt #: 175 total cpu time spent up to now is 480.4 secs Computing kpt #: 176 total cpu time spent up to now is 483.3 secs Computing kpt #: 177 total cpu time spent up to now is 486.2 secs Computing kpt #: 178 total cpu time spent up to now is 489.0 secs Computing kpt #: 179 total cpu time spent up to now is 491.9 secs Computing kpt #: 180 total cpu time spent up to now is 494.4 secs Computing kpt #: 181 total cpu time spent up to now is 497.0 secs Computing kpt #: 182 total cpu time spent up to now is 499.7 secs Computing kpt #: 183 total cpu time spent up to now is 501.8 secs Computing kpt #: 184 total cpu time spent up to now is 504.3 secs Computing kpt #: 185 total cpu time spent up to now is 506.8 secs Computing kpt #: 186 total cpu time spent up to now is 509.5 secs Computing kpt #: 187 total cpu time spent up to now is 511.6 secs ethr = 1.39E-08, avg # of iterations = 42.5 total cpu time spent up to now is 511.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 10059 PWs) bands (ev): -19.0325 -19.0325 -18.9487 -18.9487 -18.9487 -18.9487 -18.9487 -18.9487 -5.8095 -5.8095 -5.8095 -5.8095 -5.8045 -5.8045 -5.5619 -5.5619 -4.0288 -4.0288 -4.0288 -4.0288 -4.0042 -4.0042 -3.7732 -3.7732 -3.7732 -3.7732 -3.6478 -3.6478 -3.5368 -3.5368 -3.5368 -3.5368 -1.8027 -1.8027 0.0604 0.0604 0.0604 0.0604 0.1136 0.1136 1.9510 1.9510 1.9639 1.9639 1.9639 1.9639 5.3272 5.3272 5.3537 5.3537 5.3537 5.3537 5.3990 5.3990 5.3990 5.3990 6.6181 6.6181 6.9711 6.9711 7.1047 7.1047 7.1047 7.1047 7.4079 7.4079 8.3240 8.3240 8.3952 8.3952 8.3952 8.3952 9.4690 9.4690 9.5273 9.5273 9.5273 9.5273 10.8080 10.8080 10.8080 10.8080 10.8591 10.8591 11.2840 11.2840 k = 0.0000 0.0208-0.0000 ( 10051 PWs) bands (ev): -19.0325 -19.0325 -18.9501 -18.9501 -18.9487 -18.9487 -18.9474 -18.9474 -5.8116 -5.8101 -5.8092 -5.8072 -5.8070 -5.8017 -5.5622 -5.5622 -4.0362 -4.0315 -4.0257 -4.0213 -4.0140 -3.9940 -3.7820 -3.7787 -3.7674 -3.7647 -3.6513 -3.6446 -3.5391 -3.5375 -3.5364 -3.5361 -1.8005 -1.8005 0.0167 0.0334 0.0724 0.0943 0.1049 0.1495 1.8699 1.8782 1.9581 1.9603 2.0420 2.0508 5.3050 5.3344 5.3421 5.3425 5.3590 5.3677 5.3886 5.3950 5.4077 5.4160 6.6183 6.6186 6.9690 6.9739 7.1005 7.1038 7.1043 7.1102 7.3962 7.4066 8.2999 8.3510 8.3622 8.3977 8.4102 8.4253 9.4276 9.4755 9.4949 9.5209 9.5538 9.5780 10.7688 10.7895 10.8118 10.8361 10.8388 10.8792 11.2372 11.2377 k = 0.0000 0.0417-0.0000 ( 10043 PWs) bands (ev): -19.0323 -19.0323 -18.9516 -18.9516 -18.9486 -18.9486 -18.9462 -18.9462 -5.8136 -5.8114 -5.8092 -5.8087 -5.8047 -5.7987 -5.5632 -5.5632 -4.0434 -4.0340 -4.0235 -4.0224 -4.0136 -3.9832 -3.7911 -3.7839 -3.7614 -3.7568 -3.6550 -3.6420 -3.5433 -3.5380 -3.5377 -3.5353 -1.7937 -1.7937 -0.0263 -0.0050 0.0787 0.0880 0.1503 0.1928 1.7866 1.7940 1.9562 1.9594 2.1294 2.1389 5.2806 5.3123 5.3244 5.3404 5.3611 5.3746 5.3850 5.4077 5.4141 5.4365 6.6192 6.6198 6.9677 6.9772 7.0976 7.1016 7.1029 7.1169 7.3732 7.3932 8.2721 8.3262 8.3838 8.4231 8.4378 8.4526 9.3801 9.4228 9.5100 9.5254 9.5956 9.6276 10.7213 10.7515 10.8090 10.8264 10.8519 10.8902 11.1351 11.1361 k = 0.0000 0.0625-0.0000 ( 10035 PWs) bands (ev): -19.0319 -19.0319 -18.9532 -18.9531 -18.9485 -18.9485 -18.9451 -18.9451 -5.8154 -5.8135 -5.8096 -5.8092 -5.8020 -5.7956 -5.5647 -5.5647 -4.0504 -4.0363 -4.0322 -4.0188 -4.0063 -3.9721 -3.8002 -3.7887 -3.7551 -3.7496 -3.6587 -3.6399 -3.5492 -3.5408 -3.5383 -3.5344 -1.7826 -1.7826 -0.0686 -0.0466 0.0838 0.0864 0.1967 0.2390 1.7048 1.7111 1.9531 1.9576 2.2182 2.2280 5.2556 5.2883 5.3039 5.3238 5.3621 5.3794 5.3849 5.4159 5.4289 5.4579 6.6206 6.6217 6.9671 6.9806 7.0959 7.0982 7.1010 7.1247 7.3428 7.3707 8.2392 8.2871 8.4144 8.4692 8.4770 8.4822 9.3309 9.3696 9.5253 9.5366 9.6418 9.6763 10.6686 10.7025 10.8034 10.8177 10.8560 10.8905 11.0144 11.0159 k = 0.0000 0.0833-0.0000 ( 10031 PWs) bands (ev): -19.0314 -19.0314 -18.9548 -18.9548 -18.9484 -18.9484 -18.9440 -18.9440 -5.8170 -5.8159 -5.8104 -5.8094 -5.7991 -5.7923 -5.5668 -5.5668 -4.0571 -4.0404 -4.0383 -4.0148 -3.9992 -3.9607 -3.8092 -3.7931 -3.7487 -3.7436 -3.6618 -3.6386 -3.5568 -3.5455 -3.5386 -3.5335 -1.7672 -1.7672 -0.1103 -0.0889 0.0871 0.0891 0.2441 0.2869 1.6246 1.6298 1.9489 1.9548 2.3081 2.3180 5.2307 5.2629 5.2827 5.3017 5.3626 5.3794 5.3865 5.4125 5.4521 5.4792 6.6226 6.6243 6.9670 6.9835 7.0941 7.0953 7.0993 7.1333 7.3090 7.3434 8.2018 8.2448 8.4371 8.4986 8.5307 8.5446 9.2815 9.3164 9.5438 9.5532 9.6892 9.7241 10.6140 10.6497 10.7970 10.8107 10.8506 10.8821 10.8877 10.8895 k = 0.0000 0.1042-0.0000 ( 10055 PWs) bands (ev): -19.0308 -19.0308 -18.9565 -18.9565 -18.9482 -18.9482 -18.9431 -18.9431 -5.8185 -5.8181 -5.8111 -5.8096 -5.7960 -5.7889 -5.5695 -5.5695 -4.0634 -4.0478 -4.0401 -4.0106 -3.9925 -3.9491 -3.8182 -3.7970 -3.7421 -3.7391 -3.6640 -3.6379 -3.5658 -3.5515 -3.5387 -3.5326 -1.7478 -1.7478 -0.1515 -0.1313 0.0893 0.0950 0.2925 0.3360 1.5461 1.5501 1.9434 1.9506 2.3989 2.4087 5.2062 5.2365 5.2619 5.2767 5.3628 5.3737 5.3888 5.4035 5.4752 5.4999 6.6251 6.6274 6.9671 6.9854 7.0898 7.0956 7.0988 7.1421 7.2759 7.3148 8.1604 8.1992 8.4540 8.5172 8.6023 8.6181 9.2332 9.2642 9.5661 9.5745 9.7368 9.7711 10.5602 10.5967 10.7599 10.7620 10.7915 10.8057 10.8388 10.8681 k = 0.0000 0.1250-0.0000 ( 10063 PWs) bands (ev): -19.0301 -19.0301 -18.9584 -18.9583 -18.9479 -18.9479 -18.9422 -18.9422 -5.8203 -5.8199 -5.8120 -5.8100 -5.7926 -5.7853 -5.5728 -5.5728 -4.0693 -4.0546 -4.0417 -4.0061 -3.9864 -3.9372 -3.8269 -3.8004 -3.7368 -3.7354 -3.6647 -3.6380 -3.5762 -3.5589 -3.5388 -3.5318 -1.7245 -1.7245 -0.1924 -0.1736 0.0927 0.1016 0.3420 0.3863 1.4694 1.4721 1.9364 1.9451 2.4905 2.5002 5.1817 5.2099 5.2419 5.2498 5.3622 5.3627 5.3891 5.3914 5.4977 5.5197 6.6280 6.6311 6.9672 6.9856 7.0857 7.0968 7.1001 7.1503 7.2468 7.2880 8.1154 8.1505 8.4665 8.5324 8.6796 8.6973 9.1872 9.2140 9.5919 9.5997 9.7845 9.8175 10.5093 10.5461 10.6343 10.6364 10.7880 10.8036 10.8238 10.8520 k = 0.0000 0.1458-0.0000 ( 10083 PWs) bands (ev): -19.0292 -19.0292 -18.9602 -18.9602 -18.9477 -18.9477 -18.9415 -18.9415 -5.8224 -5.8211 -5.8129 -5.8104 -5.7891 -5.7816 -5.5766 -5.5766 -4.0747 -4.0607 -4.0431 -4.0013 -3.9810 -3.9251 -3.8353 -3.8030 -3.7369 -3.7288 -3.6634 -3.6388 -3.5876 -3.5672 -3.5389 -3.5312 -1.6976 -1.6976 -0.2329 -0.2157 0.0974 0.1091 0.3927 0.4376 1.3946 1.3959 1.9278 1.9379 2.5829 2.5921 5.1563 5.1840 5.2210 5.2232 5.3458 5.3623 5.3700 5.3940 5.5188 5.5382 6.6313 6.6353 6.9672 6.9841 7.0825 7.0986 7.1035 7.1561 7.2249 7.2648 8.0669 8.0985 8.4749 8.5439 8.7588 8.7780 9.1451 9.1676 9.6202 9.6276 9.8320 9.8635 10.4629 10.4996 10.5134 10.5156 10.7867 10.8050 10.8085 10.8369 k = 0.0000 0.1667-0.0000 ( 10075 PWs) bands (ev): -19.0282 -19.0282 -18.9622 -18.9622 -18.9474 -18.9474 -18.9408 -18.9408 -5.8244 -5.8221 -5.8139 -5.8109 -5.7853 -5.7777 -5.5809 -5.5809 -4.0796 -4.0661 -4.0444 -3.9962 -3.9766 -3.9130 -3.8433 -3.8048 -3.7394 -3.7223 -3.6604 -3.6402 -3.5997 -3.5763 -3.5390 -3.5306 -1.6675 -1.6674 -0.2733 -0.2577 0.1034 0.1176 0.4444 0.4900 1.3215 1.3217 1.9172 1.9288 2.6757 2.6844 5.1280 5.1606 5.1895 5.2060 5.3257 5.3476 5.3612 5.3962 5.5384 5.5553 6.6350 6.6400 6.9671 6.9813 7.0804 7.1007 7.1088 7.1571 7.2132 7.2463 8.0151 8.0434 8.4790 8.5511 8.8364 8.8569 9.1085 9.1267 9.6493 9.6564 9.8795 9.9090 10.4006 10.4019 10.4228 10.4584 10.7874 10.7955 10.8104 10.8265 k = 0.0000 0.1875-0.0000 ( 10067 PWs) bands (ev): -19.0271 -19.0271 -18.9642 -18.9642 -18.9470 -18.9470 -18.9402 -18.9402 -5.8262 -5.8231 -5.8150 -5.8115 -5.7812 -5.7737 -5.5857 -5.5857 -4.0840 -4.0706 -4.0457 -3.9908 -3.9734 -3.9008 -3.8507 -3.8057 -3.7440 -3.7162 -3.6558 -3.6423 -3.6122 -3.5860 -3.5392 -3.5303 -1.6343 -1.6342 -0.3136 -0.2996 0.1106 0.1271 0.4973 0.5435 1.2491 1.2508 1.9045 1.9176 2.7690 2.7769 5.0952 5.1406 5.1543 5.1905 5.3040 5.3236 5.3592 5.3976 5.5559 5.5705 6.6391 6.6454 6.9670 6.9779 7.0796 7.1030 7.1154 7.1533 7.2116 7.2328 7.9603 7.9854 8.4784 8.5535 8.9092 8.9305 9.0793 9.0933 9.6764 9.6834 9.9266 9.9542 10.3000 10.3009 10.3882 10.4232 10.7866 10.7884 10.8201 10.8242 k = 0.0000 0.2083-0.0000 ( 10075 PWs) bands (ev): -19.0259 -19.0259 -18.9663 -18.9663 -18.9466 -18.9466 -18.9397 -18.9397 -5.8278 -5.8238 -5.8161 -5.8122 -5.7770 -5.7695 -5.5910 -5.5909 -4.0878 -4.0744 -4.0469 -3.9852 -3.9714 -3.8885 -3.8576 -3.8056 -3.7500 -3.7110 -3.6501 -3.6450 -3.6243 -3.5962 -3.5397 -3.5301 -1.5984 -1.5983 -0.3538 -0.3414 0.1192 0.1378 0.5512 0.5978 1.1786 1.1819 1.8893 1.9040 2.8626 2.8695 5.0569 5.1141 5.1240 5.1770 5.2832 5.3004 5.3561 5.3979 5.5711 5.5838 6.6439 6.6515 6.9673 6.9749 7.0800 7.1053 7.1224 7.1488 7.2155 7.2242 7.9027 7.9247 8.4734 8.5508 8.9737 8.9948 9.0596 9.0691 9.6977 9.7045 9.9733 9.9990 10.2171 10.2172 10.3607 10.3942 10.7835 10.7903 10.8310 10.8340 k = 0.0000 0.2292-0.0000 ( 10071 PWs) bands (ev): -19.0245 -19.0245 -18.9685 -18.9685 -18.9462 -18.9462 -18.9393 -18.9393 -5.8293 -5.8245 -5.8174 -5.8129 -5.7724 -5.7651 -5.5967 -5.5966 -4.0910 -4.0773 -4.0482 -3.9792 -3.9708 -3.8763 -3.8636 -3.8044 -3.7572 -3.7074 -3.6483 -3.6437 -3.6351 -3.6065 -3.5404 -3.5302 -1.5601 -1.5600 -0.3942 -0.3834 0.1292 0.1497 0.6062 0.6531 1.1101 1.1152 1.8715 1.8878 2.9562 2.9619 5.0128 5.0679 5.1104 5.1656 5.2655 5.2800 5.3518 5.3969 5.5837 5.5947 6.6498 6.6587 6.9684 6.9728 7.0813 7.1073 7.1291 7.1466 7.2198 7.2209 7.8427 7.8617 8.4644 8.5433 9.0256 9.0370 9.0552 9.0585 9.7091 9.7159 10.0191 10.0434 10.1572 10.1588 10.3400 10.3718 10.7874 10.7960 10.8450 10.8520 k = 0.0000 0.2500-0.0000 ( 10055 PWs) bands (ev): -19.0231 -19.0231 -18.9707 -18.9707 -18.9458 -18.9458 -18.9390 -18.9390 -5.8307 -5.8250 -5.8186 -5.8136 -5.7676 -5.7605 -5.6028 -5.6026 -4.0937 -4.0794 -4.0496 -3.9729 -3.9717 -3.8688 -3.8642 -3.8021 -3.7651 -3.7068 -3.6522 -3.6432 -3.6370 -3.6170 -3.5413 -3.5306 -1.5197 -1.5196 -0.4348 -0.4254 0.1406 0.1628 0.6622 0.7093 1.0437 1.0505 1.8509 1.8687 3.0499 3.0542 4.9628 5.0155 5.0995 5.1565 5.2521 5.2641 5.3458 5.3943 5.5933 5.6031 6.6572 6.6674 6.9705 6.9722 7.0832 7.1089 7.1351 7.1477 7.2190 7.2260 7.7805 7.7967 8.4524 8.5320 9.0427 9.0520 9.0598 9.0855 9.7105 9.7177 10.0633 10.0874 10.1248 10.1290 10.3261 10.3557 10.7991 10.8081 10.8638 10.8733 k = 0.0000 0.2708-0.0000 ( 10059 PWs) bands (ev): -19.0215 -19.0215 -18.9729 -18.9729 -18.9454 -18.9454 -18.9387 -18.9387 -5.8318 -5.8255 -5.8200 -5.8144 -5.7626 -5.7557 -5.6092 -5.6089 -4.0958 -4.0807 -4.0512 -3.9739 -3.9664 -3.8731 -3.8521 -3.7988 -3.7737 -3.7105 -3.6565 -3.6471 -3.6300 -3.6273 -3.5426 -3.5313 -1.4775 -1.4773 -0.4756 -0.4676 0.1536 0.1774 0.7191 0.7662 0.9794 0.9880 1.8272 1.8467 3.1433 3.1460 4.9070 4.9574 5.0913 5.1498 5.2437 5.2535 5.3381 5.3897 5.5996 5.6085 6.6665 6.6780 6.9733 6.9740 7.0853 7.1099 7.1402 7.1516 7.2208 7.2300 7.7166 7.7300 8.4389 8.5185 9.0515 9.0590 9.0716 9.0954 9.7083 9.7164 10.1005 10.1167 10.1297 10.1310 10.3187 10.3459 10.8193 10.8279 10.8857 10.8969 k = 0.0000 0.2917-0.0000 ( 10067 PWs) bands (ev): -19.0199 -19.0199 -18.9752 -18.9752 -18.9449 -18.9449 -18.9386 -18.9386 -5.8328 -5.8257 -5.8213 -5.8152 -5.7573 -5.7507 -5.6159 -5.6156 -4.0973 -4.0812 -4.0531 -3.9774 -3.9596 -3.8762 -3.8402 -3.7945 -3.7826 -3.7186 -3.6614 -3.6466 -3.6376 -3.6230 -3.5443 -3.5322 -1.4337 -1.4334 -0.5168 -0.5101 0.1683 0.1934 0.7769 0.8239 0.9173 0.9278 1.8003 1.8215 3.2364 3.2373 4.8462 4.8943 5.0857 5.1455 5.2405 5.2486 5.3286 5.3831 5.6023 5.6107 6.6785 6.6910 6.9762 6.9788 7.0872 7.1103 7.1443 7.1577 7.2242 7.2329 7.6515 7.6622 8.4256 8.5045 9.0587 9.0642 9.0755 9.0843 9.7111 9.7209 10.1212 10.1250 10.1623 10.1741 10.3173 10.3421 10.8484 10.8560 10.9086 10.9209 k = 0.0000 0.3125-0.0000 ( 10087 PWs) bands (ev): -19.0181 -19.0181 -18.9775 -18.9775 -18.9444 -18.9444 -18.9385 -18.9385 -5.8337 -5.8259 -5.8227 -5.8160 -5.7517 -5.7455 -5.6229 -5.6224 -4.0982 -4.0808 -4.0552 -3.9820 -3.9525 -3.8781 -3.8284 -3.7919 -3.7895 -3.7297 -3.6667 -3.6476 -3.6430 -3.6160 -3.5464 -3.5336 -1.3886 -1.3883 -0.5585 -0.5529 0.1847 0.2109 0.8353 0.8574 0.8697 0.8821 1.7702 1.7931 3.3280 3.3291 4.7813 4.8272 5.0828 5.1438 5.2422 5.2494 5.3172 5.3744 5.6011 5.6093 6.6935 6.7069 6.9809 6.9849 7.0886 7.1098 7.1476 7.1654 7.2283 7.2346 7.5856 7.5937 8.4138 8.4915 9.0237 9.0365 9.0987 9.1002 9.7222 9.7340 10.1410 10.1427 10.2043 10.2170 10.3214 10.3439 10.8864 10.8922 10.9298 10.9420 k = 0.0000 0.3333-0.0000 ( 10083 PWs) bands (ev): -19.0163 -19.0163 -18.9799 -18.9799 -18.9440 -18.9440 -18.9384 -18.9384 -5.8343 -5.8260 -5.8241 -5.8169 -5.7459 -5.7400 -5.6302 -5.6295 -4.0986 -4.0797 -4.0576 -3.9876 -3.9452 -3.8788 -3.8169 -3.8013 -3.7838 -3.7423 -3.6725 -3.6573 -3.6377 -3.6091 -3.5489 -3.5352 -1.3424 -1.3421 -0.6006 -0.5961 0.2030 0.2301 0.7998 0.8140 0.8944 0.9407 1.7368 1.7615 3.4179 3.4212 4.7130 4.7569 5.0824 5.1445 5.2488 5.2554 5.3040 5.3635 5.5959 5.6042 6.7122 6.7262 6.9871 6.9921 7.0894 7.1085 7.1507 7.1737 7.2321 7.2355 7.5194 7.5249 8.4049 8.4809 8.9730 8.9820 9.1310 9.1324 9.7379 9.7514 10.1649 10.1666 10.2475 10.2598 10.3306 10.3508 10.9309 10.9331 10.9500 10.9547 k = 0.0000 0.3542-0.0000 ( 10087 PWs) bands (ev): -19.0143 -19.0143 -18.9823 -18.9823 -18.9435 -18.9435 -18.9385 -18.9385 -5.8348 -5.8260 -5.8255 -5.8177 -5.7398 -5.7343 -5.6376 -5.6368 -4.0984 -4.0777 -4.0604 -3.9939 -3.9376 -3.8782 -3.8109 -3.8055 -3.7775 -3.7556 -3.6787 -3.6668 -3.6314 -3.6023 -3.5519 -3.5373 -1.2955 -1.2951 -0.6433 -0.6397 0.2232 0.2510 0.7445 0.7605 0.9539 0.9996 1.7001 1.7265 3.5069 3.5126 4.6420 4.6838 5.0847 5.1478 5.2599 5.2664 5.2891 5.3507 5.5866 5.5951 6.7349 6.7493 6.9946 7.0003 7.0894 7.1063 7.1540 7.1823 7.2349 7.2359 7.4534 7.4564 8.3997 8.4736 8.9136 8.9177 9.1704 9.1710 9.7516 9.7659 10.1935 10.1968 10.2913 10.3029 10.3442 10.3624 10.9389 10.9523 10.9880 10.9962 k = 0.0000 0.3750-0.0000 ( 10087 PWs) bands (ev): -19.0123 -19.0123 -18.9847 -18.9846 -18.9430 -18.9430 -18.9386 -18.9386 -5.8351 -5.8268 -5.8258 -5.8186 -5.7335 -5.7284 -5.6451 -5.6441 -4.0976 -4.0750 -4.0634 -4.0007 -3.9297 -3.8763 -3.8205 -3.7944 -3.7708 -3.7689 -3.6853 -3.6759 -3.6246 -3.5958 -3.5552 -3.5397 -1.2479 -1.2475 -0.6866 -0.6839 0.2454 0.2736 0.6916 0.7094 1.0136 1.0586 1.6602 1.6884 3.5950 3.6032 4.5690 4.6087 5.0895 5.1535 5.2728 5.2753 5.2819 5.3360 5.5732 5.5819 6.7618 6.7763 7.0033 7.0091 7.0883 7.1031 7.1581 7.1905 7.2358 7.2361 7.3882 7.3885 8.3990 8.4701 8.8496 8.8509 9.2152 9.2156 9.7567 9.7707 10.2285 10.2344 10.3356 10.3466 10.3619 10.3777 10.9227 10.9308 11.0503 11.0572 k = 0.0000 0.3958-0.0000 ( 10051 PWs) bands (ev): -19.0103 -19.0103 -18.9871 -18.9871 -18.9425 -18.9425 -18.9387 -18.9387 -5.8352 -5.8281 -5.8256 -5.8194 -5.7269 -5.7223 -5.6528 -5.6516 -4.0964 -4.0715 -4.0667 -4.0080 -3.9216 -3.8731 -3.8302 -3.7843 -3.7814 -3.7638 -3.6924 -3.6848 -3.6177 -3.5894 -3.5591 -3.5424 -1.1999 -1.1995 -0.7306 -0.7285 0.2697 0.2982 0.6411 0.6606 1.0734 1.1175 1.6173 1.6473 3.6821 3.6929 4.4942 4.5317 5.0967 5.1615 5.2553 5.2944 5.3013 5.3199 5.5559 5.5649 6.7931 6.8075 7.0128 7.0184 7.0861 7.0988 7.1633 7.1981 7.2337 7.2361 7.3219 7.3251 8.4032 8.4709 8.7818 8.7889 9.2642 9.2657 9.7491 9.7622 10.2704 10.2797 10.3808 10.3829 10.3913 10.3960 10.8899 10.8932 11.1137 11.1178 k = 0.0000 0.4167-0.0000 ( 10058 PWs) bands (ev): -19.0081 -19.0081 -18.9895 -18.9895 -18.9420 -18.9420 -18.9389 -18.9389 -5.8351 -5.8293 -5.8253 -5.8202 -5.7201 -5.7159 -5.6605 -5.6590 -4.0947 -4.0701 -4.0673 -4.0154 -3.9132 -3.8687 -3.8399 -3.7951 -3.7728 -3.7566 -3.6998 -3.6935 -3.6107 -3.5833 -3.5634 -3.5456 -1.1517 -1.1514 -0.7751 -0.7737 0.2962 0.3247 0.5930 0.6141 1.1330 1.1762 1.5715 1.6032 3.7681 3.7817 4.4180 4.4532 5.1062 5.1717 5.2370 5.3026 5.3168 5.3242 5.5350 5.5443 6.8288 6.8428 7.0228 7.0278 7.0827 7.0935 7.1699 7.2051 7.2244 7.2359 7.2570 7.2684 8.4128 8.4764 8.7169 8.7302 9.3172 9.3198 9.7279 9.7398 10.3176 10.3303 10.4062 10.4159 10.4271 10.4372 10.8453 10.8459 11.0673 11.1079 k = 0.0000 0.4375-0.0000 ( 10058 PWs) bands (ev): -19.0059 -19.0059 -18.9919 -18.9919 -18.9415 -18.9415 -18.9392 -18.9392 -5.8349 -5.8305 -5.8249 -5.8210 -5.7131 -5.7093 -5.6682 -5.6665 -4.0926 -4.0736 -4.0624 -4.0229 -3.9047 -3.8630 -3.8495 -3.8072 -3.7625 -3.7492 -3.7077 -3.7019 -3.6039 -3.5775 -3.5681 -3.5491 -1.1034 -1.1031 -0.8204 -0.8194 0.3250 0.3532 0.5474 0.5700 1.1921 1.2342 1.5231 1.5565 3.8531 3.8694 4.3405 4.3733 5.1179 5.1839 5.2183 5.2846 5.3420 5.3499 5.5110 5.5205 6.8687 6.8822 7.0332 7.0371 7.0778 7.0872 7.1779 7.1874 7.1945 7.2116 7.2351 7.2390 8.4281 8.4870 8.6565 8.6765 9.3731 9.3768 9.6945 9.7051 10.3659 10.3814 10.4299 10.4354 10.4748 10.4846 10.7922 10.7958 11.0299 11.0759 k = 0.0000 0.4583-0.0000 ( 10074 PWs) bands (ev): -19.0037 -19.0037 -18.9943 -18.9943 -18.9411 -18.9411 -18.9395 -18.9395 -5.8345 -5.8315 -5.8244 -5.8218 -5.7060 -5.7026 -5.6759 -5.6739 -4.0900 -4.0772 -4.0570 -4.0303 -3.8959 -3.8590 -3.8562 -3.8188 -3.7525 -3.7416 -3.7159 -3.7102 -3.5972 -3.5732 -3.5719 -3.5529 -1.0553 -1.0551 -0.8663 -0.8657 0.3560 0.3838 0.5042 0.5282 1.2507 1.2915 1.4723 1.5073 3.9369 3.9562 4.2619 4.2921 5.1314 5.1980 5.1995 5.2663 5.3692 5.3777 5.4845 5.4941 6.9125 6.9255 7.0435 7.0458 7.0707 7.0797 7.1325 7.1360 7.1872 7.2175 7.2278 7.2335 8.4496 8.5030 8.6019 8.6287 9.4309 9.4356 9.6515 9.6608 10.4095 10.4262 10.4515 10.4519 10.5240 10.5335 10.7372 10.7430 11.0109 11.0590 k = 0.0000 0.4792-0.0000 ( 10066 PWs) bands (ev): -19.0014 -19.0014 -18.9967 -18.9967 -18.9406 -18.9406 -18.9398 -18.9398 -5.8340 -5.8324 -5.8238 -5.8225 -5.6986 -5.6956 -5.6836 -5.6813 -4.0872 -4.0807 -4.0509 -4.0375 -3.8869 -3.8685 -3.8483 -3.8295 -3.7429 -3.7340 -3.7246 -3.7182 -3.5907 -3.5787 -3.5667 -3.5572 -1.0073 -1.0072 -0.9127 -0.9124 0.3895 0.4166 0.4635 0.4887 1.3082 1.3477 1.4193 1.4559 4.0198 4.0418 4.1822 4.2098 5.1467 5.1811 5.2136 5.2481 5.3979 5.4068 5.4564 5.4658 6.9597 6.9724 7.0464 7.0536 7.0621 7.0692 7.0793 7.0892 7.1973 7.2180 7.2228 7.2309 8.4775 8.5248 8.5537 8.5875 9.4892 9.4950 9.6014 9.6095 10.4421 10.4574 10.4614 10.4669 10.5749 10.5841 10.6819 10.6894 11.0162 11.0634 k = 0.0000 0.5000-0.0000 ( 10090 PWs) bands (ev): -18.9990 -18.9990 -18.9990 -18.9990 -18.9402 -18.9402 -18.9402 -18.9402 -5.8333 -5.8333 -5.8232 -5.8232 -5.6912 -5.6912 -5.6885 -5.6885 -4.0840 -4.0840 -4.0444 -4.0444 -3.8778 -3.8778 -3.8394 -3.8394 -3.7335 -3.7335 -3.7262 -3.7262 -3.5845 -3.5845 -3.5618 -3.5618 -0.9597 -0.9597 -0.9597 -0.9597 0.4253 0.4253 0.4515 0.4515 1.3645 1.3645 1.4026 1.4026 4.1015 4.1015 4.1264 4.1264 5.1633 5.1633 5.2304 5.2304 5.4272 5.4272 5.4364 5.4364 7.0083 7.0083 7.0226 7.0226 7.0635 7.0635 7.0690 7.0690 7.2078 7.2078 7.2273 7.2273 8.5122 8.5122 8.5529 8.5529 9.5466 9.5466 9.5536 9.5536 10.4593 10.4593 10.4706 10.4706 10.6276 10.6276 10.6362 10.6362 11.0491 11.0491 k = 0.0000 0.5000-0.0000 ( 10090 PWs) bands (ev): -18.9990 -18.9990 -18.9990 -18.9990 -18.9402 -18.9402 -18.9402 -18.9402 -5.8333 -5.8333 -5.8232 -5.8232 -5.6912 -5.6912 -5.6885 -5.6885 -4.0840 -4.0840 -4.0444 -4.0444 -3.8778 -3.8778 -3.8394 -3.8394 -3.7335 -3.7335 -3.7262 -3.7262 -3.5845 -3.5845 -3.5618 -3.5618 -0.9597 -0.9597 -0.9597 -0.9597 0.4253 0.4253 0.4515 0.4515 1.3645 1.3645 1.4026 1.4026 4.1015 4.1015 4.1264 4.1264 5.1633 5.1633 5.2304 5.2304 5.4272 5.4272 5.4364 5.4364 7.0083 7.0083 7.0226 7.0226 7.0635 7.0635 7.0690 7.0690 7.2078 7.2078 7.2273 7.2273 8.5122 8.5122 8.5529 8.5529 9.5466 9.5466 9.5536 9.5536 10.4593 10.4593 10.4706 10.4706 10.6276 10.6276 10.6362 10.6362 11.0491 11.0491 k = 0.0208 0.5000-0.0000 ( 10070 PWs) bands (ev): -18.9990 -18.9990 -18.9990 -18.9990 -18.9402 -18.9402 -18.9402 -18.9402 -5.8332 -5.8332 -5.8231 -5.8231 -5.6914 -5.6914 -5.6886 -5.6886 -4.0842 -4.0842 -4.0442 -4.0442 -3.8782 -3.8782 -3.8393 -3.8393 -3.7394 -3.7394 -3.7202 -3.7202 -3.5869 -3.5869 -3.5592 -3.5592 -0.9591 -0.9591 -0.9582 -0.9582 0.4231 0.4231 0.4491 0.4491 1.3677 1.3677 1.4054 1.4054 4.0994 4.0994 4.1242 4.1242 5.1624 5.1624 5.2293 5.2293 5.4283 5.4283 5.4375 5.4375 6.9906 6.9906 7.0073 7.0073 7.0779 7.0779 7.0899 7.0899 7.2110 7.2110 7.2301 7.2301 8.5070 8.5070 8.5473 8.5473 9.5458 9.5458 9.5529 9.5529 10.4542 10.4542 10.4650 10.4650 10.6363 10.6363 10.6445 10.6445 11.0441 11.0441 k = 0.0417 0.5000-0.0000 ( 10074 PWs) bands (ev): -18.9989 -18.9989 -18.9989 -18.9989 -18.9403 -18.9403 -18.9403 -18.9403 -5.8330 -5.8330 -5.8229 -5.8229 -5.6923 -5.6923 -5.6889 -5.6889 -4.0848 -4.0848 -4.0435 -4.0435 -3.8796 -3.8796 -3.8390 -3.8390 -3.7476 -3.7476 -3.7118 -3.7118 -3.5922 -3.5922 -3.5535 -3.5535 -0.9565 -0.9565 -0.9546 -0.9546 0.4165 0.4165 0.4418 0.4418 1.3770 1.3770 1.4138 1.4138 4.0930 4.0930 4.1176 4.1176 5.1598 5.1598 5.2261 5.2261 5.4316 5.4316 5.4406 5.4406 6.9622 6.9622 6.9796 6.9796 7.1077 7.1077 7.1219 7.1219 7.2209 7.2209 7.2390 7.2390 8.4918 8.4918 8.5309 8.5309 9.5433 9.5433 9.5509 9.5509 10.4416 10.4416 10.4517 10.4517 10.6575 10.6575 10.6663 10.6663 11.0298 11.0298 k = 0.0625 0.5000-0.0000 ( 10058 PWs) bands (ev): -18.9987 -18.9987 -18.9987 -18.9987 -18.9405 -18.9405 -18.9405 -18.9405 -5.8326 -5.8326 -5.8225 -5.8225 -5.6936 -5.6936 -5.6894 -5.6894 -4.0858 -4.0858 -4.0424 -4.0424 -3.8819 -3.8819 -3.8386 -3.8386 -3.7555 -3.7555 -3.7039 -3.7039 -3.5980 -3.5980 -3.5468 -3.5468 -0.9518 -0.9518 -0.9489 -0.9489 0.4057 0.4057 0.4300 0.4300 1.3922 1.3922 1.4275 1.4275 4.0825 4.0825 4.1068 4.1068 5.1555 5.1555 5.2209 5.2209 5.4367 5.4367 5.4455 5.4455 6.9345 6.9345 6.9522 6.9522 7.1373 7.1373 7.1544 7.1544 7.2379 7.2379 7.2559 7.2559 8.4673 8.4673 8.5044 8.5044 9.5391 9.5391 9.5473 9.5473 10.4269 10.4269 10.4362 10.4362 10.6825 10.6825 10.6953 10.6953 11.0091 11.0091 k = 0.0833 0.5000-0.0000 ( 10064 PWs) bands (ev): -18.9985 -18.9985 -18.9985 -18.9985 -18.9407 -18.9407 -18.9407 -18.9407 -5.8321 -5.8321 -5.8219 -5.8219 -5.6952 -5.6952 -5.6903 -5.6903 -4.0869 -4.0869 -4.0409 -4.0409 -3.8851 -3.8851 -3.8380 -3.8380 -3.7628 -3.7628 -3.6970 -3.6970 -3.6030 -3.6030 -3.5398 -3.5398 -0.9450 -0.9450 -0.9412 -0.9412 0.3911 0.3911 0.4142 0.4142 1.4128 1.4128 1.4461 1.4461 4.0680 4.0680 4.0919 4.0919 5.1500 5.1500 5.2139 5.2139 5.4432 5.4432 5.4517 5.4517 6.9099 6.9099 6.9274 6.9274 7.1631 7.1631 7.1840 7.1840 7.2625 7.2625 7.2821 7.2821 8.4347 8.4347 8.4692 8.4692 9.5330 9.5330 9.5421 9.5421 10.4135 10.4135 10.4219 10.4219 10.7032 10.7032 10.7235 10.7235 10.9869 10.9869 k = 0.1042 0.5000-0.0000 ( 10074 PWs) bands (ev): -18.9982 -18.9982 -18.9982 -18.9982 -18.9410 -18.9410 -18.9410 -18.9410 -5.8315 -5.8315 -5.8211 -5.8211 -5.6973 -5.6973 -5.6914 -5.6914 -4.0883 -4.0883 -4.0392 -4.0392 -3.8893 -3.8893 -3.8374 -3.8374 -3.7693 -3.7693 -3.6919 -3.6919 -3.6064 -3.6064 -3.5330 -3.5330 -0.9363 -0.9363 -0.9316 -0.9316 0.3730 0.3730 0.3948 0.3948 1.4382 1.4382 1.4693 1.4693 4.0496 4.0496 4.0731 4.0731 5.1435 5.1435 5.2055 5.2055 5.4505 5.4505 5.4587 5.4587 6.8893 6.8893 6.9065 6.9065 7.1854 7.1854 7.2087 7.2087 7.2951 7.2951 7.3165 7.3165 8.3955 8.3955 8.4270 8.4270 9.5249 9.5249 9.5351 9.5351 10.4026 10.4026 10.4102 10.4102 10.7103 10.7103 10.7405 10.7405 10.9712 10.9712 k = 0.1250 0.5000-0.0000 ( 10074 PWs) bands (ev): -18.9979 -18.9979 -18.9979 -18.9979 -18.9413 -18.9413 -18.9413 -18.9413 -5.8307 -5.8307 -5.8202 -5.8202 -5.6997 -5.6997 -5.6930 -5.6930 -4.0896 -4.0896 -4.0372 -4.0372 -3.8943 -3.8943 -3.8368 -3.8368 -3.7750 -3.7750 -3.6892 -3.6892 -3.6074 -3.6074 -3.5264 -3.5264 -0.9256 -0.9256 -0.9200 -0.9200 0.3520 0.3520 0.3724 0.3724 1.4678 1.4678 1.4966 1.4966 4.0278 4.0278 4.0506 4.0506 5.1364 5.1364 5.1961 5.1961 5.4578 5.4578 5.4661 5.4661 6.8733 6.8733 6.8901 6.8901 7.2056 7.2056 7.2296 7.2296 7.3340 7.3340 7.3562 7.3562 8.3511 8.3511 8.3793 8.3793 9.5149 9.5149 9.5261 9.5261 10.3945 10.3945 10.4013 10.4013 10.6956 10.6956 10.7336 10.7336 10.9693 10.9693 k = 0.1458 0.5000-0.0000 ( 10080 PWs) bands (ev): -18.9975 -18.9975 -18.9975 -18.9975 -18.9417 -18.9417 -18.9417 -18.9417 -5.8297 -5.8297 -5.8191 -5.8191 -5.7023 -5.7023 -5.6948 -5.6948 -4.0910 -4.0910 -4.0351 -4.0351 -3.9001 -3.9001 -3.8362 -3.8362 -3.7798 -3.7798 -3.6893 -3.6893 -3.6057 -3.6057 -3.5202 -3.5202 -0.9130 -0.9130 -0.9067 -0.9067 0.3283 0.3283 0.3475 0.3475 1.5009 1.5009 1.5276 1.5276 4.0026 4.0026 4.0247 4.0247 5.1291 5.1291 5.1861 5.1861 5.4643 5.4643 5.4732 5.4732 6.8624 6.8624 6.8789 6.8789 7.2249 7.2249 7.2488 7.2488 7.3763 7.3763 7.3990 7.3990 8.3035 8.3035 8.3282 8.3282 9.5031 9.5031 9.5152 9.5152 10.3884 10.3884 10.3947 10.3947 10.6587 10.6587 10.6990 10.6990 10.9768 10.9768 k = 0.1667 0.5000-0.0000 ( 10074 PWs) bands (ev): -18.9971 -18.9971 -18.9971 -18.9971 -18.9422 -18.9422 -18.9422 -18.9422 -5.8286 -5.8286 -5.8178 -5.8178 -5.7052 -5.7052 -5.6969 -5.6969 -4.0922 -4.0922 -4.0329 -4.0329 -3.9066 -3.9066 -3.8358 -3.8358 -3.7839 -3.7839 -3.6917 -3.6917 -3.6015 -3.6015 -3.5144 -3.5144 -0.8988 -0.8988 -0.8917 -0.8917 0.3025 0.3025 0.3206 0.3206 1.5370 1.5370 1.5616 1.5616 3.9743 3.9743 3.9958 3.9958 5.1221 5.1221 5.1758 5.1758 5.4693 5.4693 5.4794 5.4794 6.8572 6.8572 6.8734 6.8734 7.2438 7.2438 7.2676 7.2676 7.4199 7.4199 7.4429 7.4429 8.2542 8.2542 8.2753 8.2753 9.4898 9.4898 9.5025 9.5025 10.3830 10.3830 10.3891 10.3891 10.6058 10.6058 10.6455 10.6455 10.9838 10.9838 k = 0.1875 0.5000-0.0000 ( 10072 PWs) bands (ev): -18.9966 -18.9966 -18.9966 -18.9966 -18.9426 -18.9426 -18.9426 -18.9426 -5.8274 -5.8274 -5.8164 -5.8164 -5.7084 -5.7084 -5.6993 -5.6993 -4.0932 -4.0932 -4.0306 -4.0306 -3.9136 -3.9136 -3.8357 -3.8357 -3.7872 -3.7872 -3.6959 -3.6959 -3.5954 -3.5954 -3.5091 -3.5091 -0.8828 -0.8828 -0.8751 -0.8751 0.2750 0.2750 0.2921 0.2921 1.5754 1.5754 1.5984 1.5984 3.9434 3.9434 3.9642 3.9642 5.1157 5.1157 5.1658 5.1658 5.4721 5.4721 5.4839 5.4839 6.8580 6.8580 6.8742 6.8742 7.2624 7.2624 7.2863 7.2863 7.4632 7.4632 7.4866 7.4866 8.2050 8.2050 8.2226 8.2226 9.4752 9.4752 9.4883 9.4883 10.3764 10.3764 10.3828 10.3828 10.5435 10.5435 10.5819 10.5819 10.9776 10.9776 k = 0.2083 0.5000-0.0000 ( 10076 PWs) bands (ev): -18.9961 -18.9961 -18.9961 -18.9961 -18.9432 -18.9432 -18.9432 -18.9432 -5.8260 -5.8260 -5.8149 -5.8149 -5.7117 -5.7117 -5.7020 -5.7020 -4.0941 -4.0941 -4.0283 -4.0283 -3.9209 -3.9209 -3.8361 -3.8361 -3.7897 -3.7897 -3.7011 -3.7011 -3.5881 -3.5881 -3.5042 -3.5042 -0.8654 -0.8654 -0.8570 -0.8570 0.2462 0.2462 0.2624 0.2624 1.6156 1.6156 1.6373 1.6373 3.9101 3.9101 3.9303 3.9303 5.1102 5.1102 5.1564 5.1564 5.4724 5.4724 5.4861 5.4861 6.8648 6.8648 6.8816 6.8816 7.2806 7.2806 7.3052 7.3052 7.5046 7.5046 7.5286 7.5286 8.1576 8.1576 8.1720 8.1720 9.4597 9.4597 9.4729 9.4729 10.3658 10.3658 10.3735 10.3735 10.4759 10.4759 10.5139 10.5139 10.9514 10.9514 k = 0.2292 0.5000-0.0000 ( 10082 PWs) bands (ev): -18.9955 -18.9955 -18.9955 -18.9955 -18.9437 -18.9437 -18.9437 -18.9437 -5.8244 -5.8244 -5.8132 -5.8132 -5.7153 -5.7153 -5.7049 -5.7049 -4.0946 -4.0946 -4.0262 -4.0262 -3.9281 -3.9281 -3.8373 -3.8373 -3.7913 -3.7913 -3.7068 -3.7068 -3.5801 -3.5801 -3.4998 -3.4998 -0.8466 -0.8466 -0.8377 -0.8377 0.2163 0.2163 0.2319 0.2319 1.6571 1.6571 1.6779 1.6779 3.8748 3.8748 3.8945 3.8945 5.1059 5.1059 5.1481 5.1481 5.4698 5.4698 5.4855 5.4855 6.8778 6.8778 6.8955 6.8955 7.2983 7.2983 7.3241 7.3241 7.5425 7.5425 7.5671 7.5671 8.1138 8.1138 8.1255 8.1255 9.4438 9.4438 9.4567 9.4567 10.3477 10.3477 10.3578 10.3578 10.4064 10.4064 10.4451 10.4451 10.9105 10.9105 k = 0.2500 0.5000-0.0000 ( 10090 PWs) bands (ev): -18.9949 -18.9949 -18.9949 -18.9949 -18.9443 -18.9443 -18.9443 -18.9443 -5.8227 -5.8227 -5.8114 -5.8114 -5.7189 -5.7189 -5.7081 -5.7081 -4.0948 -4.0948 -4.0243 -4.0243 -3.9351 -3.9351 -3.8396 -3.8396 -3.7921 -3.7921 -3.7125 -3.7125 -3.5718 -3.5718 -3.4960 -3.4960 -0.8266 -0.8266 -0.8173 -0.8173 0.1859 0.1859 0.2009 0.2009 1.6994 1.6994 1.7196 1.7196 3.8379 3.8379 3.8574 3.8574 5.1031 5.1031 5.1410 5.1410 5.4643 5.4643 5.4818 5.4818 6.8967 6.8967 6.9159 6.9159 7.3154 7.3154 7.3430 7.3430 7.5749 7.5749 7.6003 7.6003 8.0756 8.0756 8.0854 8.0854 9.4279 9.4279 9.4401 9.4401 10.3169 10.3169 10.3238 10.3238 10.3459 10.3459 10.3795 10.3795 10.8650 10.8650 k = 0.2708 0.5000-0.0000 ( 10082 PWs) bands (ev): -18.9944 -18.9944 -18.9944 -18.9944 -18.9449 -18.9449 -18.9449 -18.9449 -5.8209 -5.8209 -5.8095 -5.8095 -5.7226 -5.7226 -5.7114 -5.7114 -4.0946 -4.0946 -4.0228 -4.0228 -3.9414 -3.9414 -3.8429 -3.8429 -3.7921 -3.7921 -3.7181 -3.7181 -3.5634 -3.5634 -3.4927 -3.4927 -0.8056 -0.8056 -0.7960 -0.7960 0.1552 0.1552 0.1696 0.1696 1.7420 1.7420 1.7619 1.7619 3.7999 3.7999 3.8193 3.8193 5.1019 5.1019 5.1356 5.1356 5.4557 5.4557 5.4749 5.4749 6.9212 6.9212 6.9424 6.9424 7.3318 7.3318 7.3615 7.3615 7.5995 7.5995 7.6260 7.6260 8.0450 8.0450 8.0540 8.0540 9.4123 9.4123 9.4237 9.4237 10.2575 10.2575 10.2689 10.2689 10.3077 10.3077 10.3220 10.3220 10.8230 10.8230 k = 0.2917 0.5000-0.0000 ( 10080 PWs) bands (ev): -18.9938 -18.9938 -18.9938 -18.9938 -18.9454 -18.9454 -18.9454 -18.9454 -5.8189 -5.8189 -5.8075 -5.8075 -5.7263 -5.7263 -5.7149 -5.7149 -4.0940 -4.0940 -4.0221 -4.0221 -3.9468 -3.9468 -3.8473 -3.8473 -3.7912 -3.7912 -3.7233 -3.7233 -3.5552 -3.5552 -3.4900 -3.4900 -0.7838 -0.7838 -0.7741 -0.7741 0.1245 0.1245 0.1384 0.1384 1.7845 1.7845 1.8041 1.8041 3.7615 3.7615 3.7807 3.7807 5.1026 5.1026 5.1320 5.1320 5.4443 5.4443 5.4649 5.4649 6.9508 6.9508 6.9742 6.9742 7.3473 7.3473 7.3794 7.3794 7.6145 7.6145 7.6422 7.6422 8.0238 8.0238 8.0330 8.0330 9.3974 9.3974 9.4080 9.4080 10.1876 10.1876 10.2072 10.2072 10.2645 10.2645 10.2701 10.2701 10.7878 10.7878 k = 0.3125 0.5000-0.0000 ( 10070 PWs) bands (ev): -18.9932 -18.9932 -18.9932 -18.9932 -18.9460 -18.9460 -18.9460 -18.9460 -5.8168 -5.8168 -5.8054 -5.8054 -5.7300 -5.7300 -5.7184 -5.7184 -4.0929 -4.0929 -4.0223 -4.0223 -3.9508 -3.9508 -3.8528 -3.8528 -3.7896 -3.7896 -3.7282 -3.7282 -3.5471 -3.5471 -3.4878 -3.4878 -0.7616 -0.7616 -0.7518 -0.7518 0.0944 0.0944 0.1076 0.1076 1.8263 1.8263 1.8456 1.8456 3.7233 3.7233 3.7422 3.7422 5.1050 5.1050 5.1305 5.1305 5.4304 5.4304 5.4519 5.4519 6.9847 6.9847 7.0105 7.0105 7.3617 7.3617 7.3962 7.3962 7.6193 7.6193 7.6485 7.6485 8.0124 8.0124 8.0227 8.0227 9.3835 9.3835 9.3934 9.3934 10.1192 10.1192 10.1416 10.1416 10.2137 10.2137 10.2185 10.2185 10.7594 10.7594 k = 0.3333 0.5000-0.0000 ( 10076 PWs) bands (ev): -18.9926 -18.9926 -18.9926 -18.9926 -18.9466 -18.9466 -18.9466 -18.9466 -5.8146 -5.8146 -5.8034 -5.8034 -5.7336 -5.7336 -5.7220 -5.7220 -4.0914 -4.0914 -4.0237 -4.0237 -3.9532 -3.9532 -3.8591 -3.8591 -3.7875 -3.7875 -3.7327 -3.7327 -3.5394 -3.5394 -3.4862 -3.4862 -0.7392 -0.7392 -0.7296 -0.7296 0.0650 0.0650 0.0776 0.0776 1.8669 1.8669 1.8857 1.8857 3.6859 3.6859 3.7045 3.7045 5.1093 5.1093 5.1311 5.1311 5.4145 5.4145 5.4365 5.4365 7.0218 7.0218 7.0503 7.0503 7.3746 7.3746 7.4112 7.4112 7.6155 7.6155 7.6462 7.6462 8.0096 8.0096 8.0210 8.0210 9.3710 9.3710 9.3805 9.3805 10.0541 10.0541 10.0768 10.0768 10.1596 10.1596 10.1655 10.1655 10.7358 10.7358 k = 0.3542 0.5000-0.0000 ( 10060 PWs) bands (ev): -18.9921 -18.9921 -18.9921 -18.9921 -18.9471 -18.9471 -18.9471 -18.9471 -5.8122 -5.8122 -5.8014 -5.8014 -5.7369 -5.7369 -5.7257 -5.7257 -4.0895 -4.0895 -4.0265 -4.0265 -3.9536 -3.9536 -3.8661 -3.8661 -3.7850 -3.7850 -3.7370 -3.7370 -3.5321 -3.5321 -3.4852 -3.4852 -0.7171 -0.7171 -0.7078 -0.7078 0.0369 0.0369 0.0487 0.0487 1.9056 1.9056 1.9237 1.9237 3.6502 3.6502 3.6681 3.6681 5.1154 5.1154 5.1338 5.1338 5.3969 5.3969 5.4190 5.4190 7.0611 7.0611 7.0924 7.0924 7.3854 7.3854 7.4234 7.4234 7.6070 7.6070 7.6383 7.6383 8.0125 8.0125 8.0247 8.0247 9.3602 9.3602 9.3695 9.3695 9.9937 9.9937 10.0155 10.0155 10.1057 10.1057 10.1123 10.1123 10.7147 10.7147 k = 0.3750 0.5000-0.0000 ( 10070 PWs) bands (ev): -18.9916 -18.9916 -18.9916 -18.9916 -18.9476 -18.9476 -18.9476 -18.9476 -5.8098 -5.8098 -5.7995 -5.7995 -5.7400 -5.7400 -5.7293 -5.7293 -4.0870 -4.0870 -4.0304 -4.0304 -3.9523 -3.9523 -3.8736 -3.8736 -3.7821 -3.7821 -3.7409 -3.7409 -3.5252 -3.5252 -3.4848 -3.4848 -0.6957 -0.6957 -0.6870 -0.6870 0.0107 0.0107 0.0215 0.0215 1.9418 1.9418 1.9588 1.9588 3.6170 3.6170 3.6338 3.6338 5.1230 5.1230 5.1387 5.1387 5.3784 5.3784 5.4001 5.4001 7.1013 7.1013 7.1355 7.1355 7.3929 7.3929 7.4311 7.4311 7.5981 7.5981 7.6283 7.6283 8.0178 8.0178 8.0302 8.0302 9.3513 9.3513 9.3606 9.3606 9.9398 9.9398 9.9595 9.9595 10.0545 10.0545 10.0612 10.0612 10.6949 10.6949 k = 0.3958 0.5000-0.0000 ( 10062 PWs) bands (ev): -18.9911 -18.9911 -18.9911 -18.9911 -18.9480 -18.9480 -18.9480 -18.9480 -5.8074 -5.8074 -5.7979 -5.7979 -5.7427 -5.7427 -5.7328 -5.7328 -4.0841 -4.0841 -4.0351 -4.0351 -3.9495 -3.9495 -3.8814 -3.8814 -3.7791 -3.7791 -3.7447 -3.7447 -3.5187 -3.5187 -3.4849 -3.4849 -0.6756 -0.6756 -0.6676 -0.6676 -0.0132 -0.0132 -0.0036 -0.0036 1.9748 1.9748 1.9900 1.9900 3.5872 3.5872 3.6024 3.6024 5.1320 5.1320 5.1454 5.1454 5.3596 5.3596 5.3804 5.3804 7.1414 7.1414 7.1783 7.1783 7.3957 7.3957 7.4327 7.4327 7.5931 7.5931 7.6194 7.6194 8.0231 8.0231 8.0348 8.0348 9.3445 9.3445 9.3537 9.3537 9.8938 9.8938 9.9109 9.9109 10.0071 10.0071 10.0138 10.0138 10.6761 10.6761 k = 0.4167 0.5000-0.0000 ( 10070 PWs) bands (ev): -18.9908 -18.9908 -18.9908 -18.9908 -18.9484 -18.9484 -18.9484 -18.9484 -5.8050 -5.8050 -5.7966 -5.7966 -5.7449 -5.7449 -5.7362 -5.7362 -4.0807 -4.0807 -4.0404 -4.0404 -3.9453 -3.9453 -3.8894 -3.8894 -3.7758 -3.7758 -3.7483 -3.7483 -3.5128 -3.5128 -3.4857 -3.4857 -0.6574 -0.6574 -0.6505 -0.6505 -0.0341 -0.0341 -0.0259 -0.0259 2.0036 2.0036 2.0167 2.0167 3.5617 3.5617 3.5748 3.5748 5.1419 5.1419 5.1535 5.1535 5.3416 5.3416 5.3607 5.3607 7.1803 7.1803 7.2195 7.2195 7.3921 7.3921 7.4278 7.4278 7.5936 7.5936 7.6138 7.6138 8.0268 8.0268 8.0372 8.0372 9.3398 9.3398 9.3485 9.3485 9.8569 9.8569 9.8711 9.8711 9.9650 9.9650 9.9713 9.9713 10.6589 10.6589 k = 0.4375 0.5000-0.0000 ( 10082 PWs) bands (ev): -18.9905 -18.9905 -18.9905 -18.9905 -18.9487 -18.9487 -18.9487 -18.9487 -5.8026 -5.8026 -5.7959 -5.7959 -5.7464 -5.7464 -5.7393 -5.7393 -4.0768 -4.0768 -4.0461 -4.0461 -3.9402 -3.9402 -3.8974 -3.8974 -3.7725 -3.7725 -3.7519 -3.7519 -3.5074 -3.5074 -3.4870 -3.4870 -0.6418 -0.6418 -0.6363 -0.6363 -0.0511 -0.0511 -0.0446 -0.0446 2.0276 2.0276 2.0380 2.0380 3.5412 3.5412 3.5517 3.5517 5.1523 5.1523 5.1622 5.1622 5.3253 5.3253 5.3418 5.3418 7.2170 7.2170 7.2578 7.2578 7.3815 7.3815 7.4173 7.4173 7.5985 7.5985 7.6122 7.6122 8.0286 8.0286 8.0370 8.0370 9.3370 9.3370 9.3446 9.3446 9.8299 9.8299 9.8409 9.8409 9.9292 9.9292 9.9350 9.9350 10.6441 10.6441 k = 0.4583 0.5000-0.0000 ( 10092 PWs) bands (ev): -18.9902 -18.9902 -18.9902 -18.9902 -18.9489 -18.9489 -18.9489 -18.9489 -5.8004 -5.8004 -5.7956 -5.7956 -5.7471 -5.7471 -5.7420 -5.7420 -4.0725 -4.0725 -4.0517 -4.0517 -3.9343 -3.9343 -3.9054 -3.9054 -3.7691 -3.7691 -3.7554 -3.7554 -3.5026 -3.5026 -3.4889 -3.4889 -0.6297 -0.6297 -0.6258 -0.6258 -0.0636 -0.0636 -0.0591 -0.0591 2.0460 2.0460 2.0532 2.0532 3.5266 3.5266 3.5339 3.5339 5.1622 5.1622 5.1700 5.1700 5.3124 5.3124 5.3251 5.3251 7.2511 7.2511 7.2920 7.2920 7.3656 7.3656 7.4021 7.4021 7.6053 7.6053 7.6134 7.6134 8.0291 8.0291 8.0350 8.0350 9.3360 9.3360 9.3416 9.3416 9.8126 9.8126 9.8203 9.8203 9.9016 9.9016 9.9063 9.9063 10.6330 10.6332 k = 0.4792 0.5000-0.0000 ( 10092 PWs) bands (ev): -18.9901 -18.9901 -18.9901 -18.9901 -18.9491 -18.9491 -18.9491 -18.9491 -5.7985 -5.7985 -5.7960 -5.7960 -5.7469 -5.7469 -5.7443 -5.7443 -4.0678 -4.0678 -4.0573 -4.0573 -3.9277 -3.9277 -3.9132 -3.9132 -3.7657 -3.7657 -3.7588 -3.7588 -3.4983 -3.4983 -3.4915 -3.4915 -0.6216 -0.6216 -0.6196 -0.6196 -0.0709 -0.0709 -0.0686 -0.0686 2.0580 2.0580 2.0617 2.0617 3.5184 3.5184 3.5222 3.5222 5.1704 5.1704 5.1749 5.1749 5.3050 5.3050 5.3121 5.3121 7.2819 7.2819 7.3164 7.3164 7.3509 7.3509 7.3829 7.3829 7.6113 7.6113 7.6150 7.6150 8.0293 8.0293 8.0324 8.0324 9.3362 9.3362 9.3392 9.3392 9.8041 9.8041 9.8082 9.8082 9.8842 9.8842 9.8869 9.8869 10.6264 10.6283 k = 0.5000 0.5000-0.0000 ( 10068 PWs) bands (ev): -18.9900 -18.9900 -18.9900 -18.9900 -18.9491 -18.9491 -18.9491 -18.9491 -5.7970 -5.7970 -5.7970 -5.7970 -5.7460 -5.7460 -5.7460 -5.7460 -4.0627 -4.0627 -4.0627 -4.0627 -3.9206 -3.9206 -3.9206 -3.9206 -3.7623 -3.7623 -3.7623 -3.7623 -3.4946 -3.4946 -3.4946 -3.4946 -0.6181 -0.6181 -0.6181 -0.6181 -0.0727 -0.0727 -0.0727 -0.0727 2.0634 2.0634 2.0634 2.0634 3.5169 3.5169 3.5169 3.5169 5.1751 5.1751 5.1751 5.1751 5.3049 5.3049 5.3049 5.3049 7.3080 7.3080 7.3080 7.3080 7.3615 7.3615 7.3615 7.3615 7.6146 7.6146 7.6146 7.6146 8.0303 8.0303 8.0303 8.0303 9.3374 9.3374 9.3374 9.3374 9.8030 9.8030 9.8030 9.8030 9.8791 9.8791 9.8791 9.8791 10.6248 10.6248 k = 0.5000 0.5000-0.0000 ( 10068 PWs) bands (ev): -18.9900 -18.9900 -18.9900 -18.9900 -18.9491 -18.9491 -18.9491 -18.9491 -5.7970 -5.7970 -5.7970 -5.7970 -5.7460 -5.7460 -5.7460 -5.7460 -4.0627 -4.0627 -4.0627 -4.0627 -3.9206 -3.9206 -3.9206 -3.9206 -3.7623 -3.7623 -3.7623 -3.7623 -3.4946 -3.4946 -3.4946 -3.4946 -0.6181 -0.6181 -0.6181 -0.6181 -0.0727 -0.0727 -0.0727 -0.0727 2.0634 2.0634 2.0634 2.0634 3.5169 3.5169 3.5169 3.5169 5.1751 5.1751 5.1751 5.1751 5.3049 5.3049 5.3049 5.3049 7.3080 7.3080 7.3080 7.3080 7.3615 7.3615 7.3615 7.3615 7.6146 7.6146 7.6146 7.6146 8.0303 8.0303 8.0303 8.0303 9.3374 9.3374 9.3374 9.3374 9.8030 9.8030 9.8030 9.8030 9.8791 9.8791 9.8791 9.8791 10.6248 10.6248 k = 0.4853 0.4853-0.0000 ( 10088 PWs) bands (ev): -18.9902 -18.9902 -18.9900 -18.9900 -18.9491 -18.9491 -18.9490 -18.9490 -5.7990 -5.7979 -5.7967 -5.7956 -5.7473 -5.7467 -5.7442 -5.7442 -4.0688 -4.0666 -4.0586 -4.0563 -3.9303 -3.9230 -3.9180 -3.9104 -3.7664 -3.7647 -3.7601 -3.7579 -3.4997 -3.4959 -3.4936 -3.4904 -0.6238 -0.6233 -0.6188 -0.6164 -0.0737 -0.0713 -0.0674 -0.0668 2.0556 2.0568 2.0635 2.0637 3.5158 3.5159 3.5244 3.5249 5.1679 5.1704 5.1758 5.1766 5.3016 5.3057 5.3119 5.3146 7.2751 7.2990 7.3013 7.3195 7.3532 7.3578 7.3638 7.3949 7.6087 7.6109 7.6142 7.6184 8.0278 8.0297 8.0311 8.0349 9.3333 9.3374 9.3395 9.3408 9.8008 9.8057 9.8088 9.8092 9.8809 9.8816 9.8882 9.8914 10.6250 10.6262 k = 0.4706 0.4706-0.0000 ( 10081 PWs) bands (ev): -18.9906 -18.9906 -18.9898 -18.9898 -18.9491 -18.9491 -18.9488 -18.9488 -5.8014 -5.7993 -5.7967 -5.7946 -5.7484 -5.7468 -5.7417 -5.7414 -4.0745 -4.0701 -4.0543 -4.0497 -3.9394 -3.9251 -3.9152 -3.8997 -3.7702 -3.7674 -3.7581 -3.7533 -3.5057 -3.4973 -3.4928 -3.4870 -0.6394 -0.6385 -0.6185 -0.6137 -0.0742 -0.0693 -0.0520 -0.0509 2.0351 2.0376 2.0629 2.0632 3.5139 3.5141 3.5457 3.5468 5.1535 5.1590 5.1767 5.1782 5.2994 5.3077 5.3300 5.3348 7.2422 7.2745 7.2768 7.2978 7.3509 7.3586 7.3927 7.4317 7.5937 7.5982 7.6166 7.6252 8.0227 8.0261 8.0365 8.0437 9.3253 9.3334 9.3472 9.3495 9.8023 9.8101 9.8263 9.8270 9.8873 9.8883 9.9171 9.9218 10.6268 10.6291 k = 0.4559 0.4559-0.0000 ( 10083 PWs) bands (ev): -18.9913 -18.9913 -18.9896 -18.9895 -18.9491 -18.9491 -18.9483 -18.9483 -5.8041 -5.8013 -5.7970 -5.7940 -5.7494 -5.7466 -5.7382 -5.7375 -4.0798 -4.0732 -4.0500 -4.0427 -3.9475 -3.9270 -3.9121 -3.8887 -3.7737 -3.7703 -3.7565 -3.7484 -3.5127 -3.4990 -3.4925 -3.4845 -0.6636 -0.6623 -0.6172 -0.6100 -0.0741 -0.0667 -0.0276 -0.0262 2.0028 2.0065 2.0619 2.0623 3.5107 3.5110 3.5801 3.5816 5.1355 5.1443 5.1784 5.1804 5.2972 5.3097 5.3554 5.3620 7.2110 7.2364 7.2415 7.2693 7.3438 7.3604 7.4319 7.4705 7.5705 7.5778 7.6214 7.6343 8.0158 8.0202 8.0445 8.0548 9.3143 9.3261 9.3605 9.3636 9.8093 9.8180 9.8552 9.8565 9.8987 9.8996 9.9622 9.9671 10.6278 10.6312 k = 0.4412 0.4412-0.0000 ( 10073 PWs) bands (ev): -18.9923 -18.9923 -18.9892 -18.9892 -18.9491 -18.9491 -18.9478 -18.9478 -5.8071 -5.8035 -5.7976 -5.7936 -5.7504 -5.7464 -5.7338 -5.7328 -4.0848 -4.0758 -4.0461 -4.0356 -3.9546 -3.9285 -3.9087 -3.8774 -3.7769 -3.7732 -3.7552 -3.7434 -3.5205 -3.5008 -3.4926 -3.4828 -0.6946 -0.6931 -0.6149 -0.6053 -0.0735 -0.0638 0.0039 0.0056 1.9604 1.9651 2.0605 2.0610 3.5062 3.5065 3.6261 3.6278 5.1166 5.1288 5.1810 5.1834 5.2952 5.3116 5.3854 5.3934 7.1808 7.1893 7.1961 7.2388 7.3377 7.3629 7.4711 7.5107 7.5405 7.5529 7.6270 7.6443 8.0087 8.0134 8.0526 8.0655 9.3011 9.3164 9.3793 9.3828 9.8221 9.8301 9.8938 9.8964 9.9162 9.9169 10.0205 10.0251 10.6250 10.6292 k = 0.4265 0.4265-0.0000 ( 10081 PWs) bands (ev): -18.9935 -18.9935 -18.9887 -18.9887 -18.9491 -18.9491 -18.9471 -18.9471 -5.8101 -5.8060 -5.7983 -5.7934 -5.7515 -5.7463 -5.7285 -5.7273 -4.0894 -4.0780 -4.0428 -4.0282 -3.9602 -3.9299 -3.9051 -3.8659 -3.7797 -3.7762 -3.7543 -3.7382 -3.5291 -3.5027 -3.4933 -3.4818 -0.7307 -0.7292 -0.6115 -0.5996 -0.0723 -0.0603 0.0410 0.0427 1.9094 1.9151 2.0587 2.0594 3.5003 3.5007 3.6817 3.6835 5.0981 5.1137 5.1843 5.1871 5.2933 5.3135 5.4183 5.4271 7.1339 7.1369 7.1585 7.2100 7.3325 7.3657 7.4917 7.5051 7.5430 7.5526 7.6313 7.6532 8.0041 8.0084 8.0589 8.0739 9.2870 9.3053 9.4029 9.4064 9.8401 9.8460 9.9286 9.9330 9.9534 9.9534 10.0896 10.0939 10.6151 10.6199 k = 0.4118 0.4118-0.0000 ( 10085 PWs) bands (ev): -18.9948 -18.9948 -18.9881 -18.9881 -18.9491 -18.9491 -18.9463 -18.9463 -5.8131 -5.8086 -5.7991 -5.7934 -5.7527 -5.7463 -5.7225 -5.7212 -4.0935 -4.0798 -4.0405 -4.0206 -3.9640 -3.9309 -3.9012 -3.8542 -3.7820 -3.7791 -3.7538 -3.7328 -3.5384 -3.5047 -3.4946 -3.4814 -0.7707 -0.7691 -0.6070 -0.5928 -0.0706 -0.0564 0.0824 0.0840 1.8518 1.8584 2.0565 2.0573 3.4929 3.4933 3.7452 3.7469 5.0805 5.0995 5.1884 5.1914 5.2915 5.3152 5.4528 5.4621 7.0728 7.0779 7.1335 7.1838 7.3277 7.3683 7.4662 7.4664 7.5770 7.5957 7.6317 7.6579 8.0051 8.0085 8.0619 8.0785 9.2731 9.2940 9.4307 9.4336 9.8622 9.8648 9.9552 9.9616 10.0131 10.0146 10.1678 10.1716 10.5960 10.6011 k = 0.3971 0.3971-0.0000 ( 10085 PWs) bands (ev): -18.9964 -18.9964 -18.9874 -18.9874 -18.9491 -18.9491 -18.9455 -18.9455 -5.8161 -5.8111 -5.8001 -5.7935 -5.7539 -5.7465 -5.7160 -5.7147 -4.0972 -4.0812 -4.0398 -4.0129 -3.9658 -3.9317 -3.8970 -3.8425 -3.7840 -3.7819 -3.7538 -3.7273 -3.5483 -3.5067 -3.4966 -3.4814 -0.8135 -0.8119 -0.6015 -0.5851 -0.0684 -0.0520 0.1271 0.1286 1.7890 1.7963 2.0540 2.0549 3.4839 3.4843 3.8150 3.8164 5.0641 5.0863 5.1932 5.1964 5.2900 5.3169 5.4880 5.4975 7.0089 7.0157 7.1117 7.1601 7.3224 7.3699 7.4260 7.4286 7.6204 7.6276 7.6394 7.6563 8.0148 8.0173 8.0612 8.0787 9.2603 9.2833 9.4614 9.4633 9.8857 9.8871 9.9851 9.9942 10.0839 10.0863 10.2534 10.2566 10.5674 10.5726 k = 0.3824 0.3824-0.0000 ( 10083 PWs) bands (ev): -18.9980 -18.9980 -18.9866 -18.9866 -18.9491 -18.9491 -18.9447 -18.9447 -5.8188 -5.8136 -5.8010 -5.7937 -5.7552 -5.7468 -5.7091 -5.7078 -4.1005 -4.0822 -4.0405 -4.0050 -3.9656 -3.9323 -3.8924 -3.8308 -3.7855 -3.7845 -3.7541 -3.7218 -3.5589 -3.5088 -3.4994 -3.4818 -0.8583 -0.8569 -0.5948 -0.5762 -0.0657 -0.0473 0.1746 0.1758 1.7223 1.7304 2.0511 2.0522 3.4731 3.4734 3.8897 3.8907 5.0490 5.0741 5.1986 5.2020 5.2887 5.3185 5.5232 5.5325 6.9445 6.9532 7.0928 7.1388 7.3148 7.3651 7.3868 7.3939 7.6107 7.6439 7.6714 7.6865 8.0346 8.0370 8.0575 8.0748 9.2493 9.2738 9.4940 9.4945 9.9080 9.9134 10.0193 10.0310 10.1633 10.1664 10.3447 10.3474 10.5307 10.5361 k = 0.3676 0.3676-0.0000 ( 10069 PWs) bands (ev): -18.9998 -18.9998 -18.9857 -18.9857 -18.9491 -18.9491 -18.9438 -18.9438 -5.8214 -5.8159 -5.8020 -5.7940 -5.7565 -5.7472 -5.7018 -5.7006 -4.1033 -4.0828 -4.0427 -3.9972 -3.9637 -3.9325 -3.8874 -3.8192 -3.7867 -3.7863 -3.7549 -3.7162 -3.5698 -3.5108 -3.5030 -3.4825 -0.9048 -0.9034 -0.5870 -0.5663 -0.0625 -0.0422 0.2243 0.2251 1.6527 1.6615 2.0480 2.0491 3.4601 3.4604 3.9681 3.9686 5.0353 5.0629 5.2047 5.2083 5.2877 5.3200 5.5576 5.5662 6.8816 6.8924 7.0765 7.1199 7.2995 7.3348 7.3548 7.3835 7.5888 7.6246 7.7206 7.7330 8.0468 8.0603 8.0699 8.0752 9.2404 9.2659 9.5265 9.5277 9.9310 9.9396 10.0570 10.0703 10.2491 10.2529 10.4405 10.4425 10.4891 10.4945 k = 0.3529 0.3529-0.0000 ( 10069 PWs) bands (ev): -19.0016 -19.0016 -18.9848 -18.9848 -18.9490 -18.9490 -18.9430 -18.9430 -5.8237 -5.8180 -5.8031 -5.7944 -5.7580 -5.7478 -5.6942 -5.6931 -4.1055 -4.0830 -4.0459 -3.9894 -3.9608 -3.9325 -3.8820 -3.8080 -3.7883 -3.7864 -3.7562 -3.7106 -3.5809 -3.5129 -3.5074 -3.4835 -0.9523 -0.9511 -0.5781 -0.5553 -0.0588 -0.0367 0.2759 0.2763 1.5811 1.5907 2.0445 2.0458 3.4449 3.4450 4.0491 4.0494 5.0230 5.0526 5.2112 5.2152 5.2871 5.3215 5.5902 5.5978 6.8218 6.8349 7.0628 7.1034 7.2704 7.2937 7.3369 7.3833 7.5608 7.5985 7.7699 7.7805 8.0389 8.0530 8.1110 8.1142 9.2336 9.2596 9.5587 9.5616 9.9540 9.9645 10.0963 10.1100 10.3350 10.3399 10.4494 10.4548 10.5396 10.5413 k = 0.3382 0.3382-0.0000 ( 10085 PWs) bands (ev): -19.0035 -19.0035 -18.9837 -18.9837 -18.9490 -18.9490 -18.9422 -18.9422 -5.8257 -5.8200 -5.8041 -5.7948 -5.7595 -5.7486 -5.6865 -5.6855 -4.1073 -4.0830 -4.0497 -3.9818 -3.9575 -3.9321 -3.8759 -3.7982 -3.7891 -3.7849 -3.7578 -3.7051 -3.5922 -3.5149 -3.5125 -3.4848 -1.0007 -0.9996 -0.5679 -0.5432 -0.0546 -0.0309 0.3291 0.3292 1.5083 1.5186 2.0408 2.0421 3.4268 3.4268 4.1314 4.1325 5.0122 5.0432 5.2182 5.2226 5.2869 5.3231 5.6203 5.6265 6.7665 6.7819 7.0517 7.0891 7.2332 7.2522 7.3278 7.3839 7.5285 7.5677 7.8175 7.8284 8.0312 8.0406 8.1618 8.1660 9.2287 9.2548 9.5907 9.5952 9.9757 9.9868 10.1350 10.1478 10.3660 10.3729 10.4685 10.4729 10.6407 10.6417 k = 0.3235 0.3235-0.0000 ( 10075 PWs) bands (ev): -19.0054 -19.0054 -18.9826 -18.9826 -18.9490 -18.9490 -18.9415 -18.9415 -5.8276 -5.8217 -5.8051 -5.7953 -5.7611 -5.7496 -5.6786 -5.6777 -4.1086 -4.0826 -4.0538 -3.9746 -3.9544 -3.9313 -3.8694 -3.7922 -3.7889 -3.7800 -3.7593 -3.6996 -3.6033 -3.5183 -3.5168 -3.4863 -1.0496 -1.0486 -0.5564 -0.5299 -0.0499 -0.0248 0.3835 0.3842 1.4347 1.4457 2.0367 2.0382 3.4055 3.4056 4.2148 4.2169 5.0030 5.0348 5.2255 5.2306 5.2872 5.3247 5.6470 5.6515 6.7170 6.7346 7.0430 7.0769 7.1945 7.2121 7.3213 7.3838 7.4938 7.5342 7.8600 7.8755 8.0285 8.0287 8.2201 8.2256 9.2252 9.2510 9.6223 9.6280 9.9947 10.0048 10.1711 10.1816 10.3271 10.3344 10.5619 10.5668 10.7428 10.7433 k = 0.3088 0.3088-0.0000 ( 10089 PWs) bands (ev): -19.0073 -19.0073 -18.9813 -18.9813 -18.9490 -18.9490 -18.9408 -18.9408 -5.8291 -5.8232 -5.8060 -5.7959 -5.7628 -5.7508 -5.6706 -5.6698 -4.1093 -4.0820 -4.0579 -3.9681 -3.9518 -3.9298 -3.8626 -3.7896 -3.7874 -3.7747 -3.7582 -3.6942 -3.6141 -3.5247 -3.5187 -3.4881 -1.0987 -1.0979 -0.5437 -0.5155 -0.0448 -0.0185 0.4394 0.4406 1.3609 1.3726 2.0325 2.0340 3.3805 3.3808 4.2985 4.3018 4.9955 5.0275 5.2330 5.2391 5.2880 5.3265 5.6696 5.6723 6.6741 6.6938 7.0363 7.0664 7.1571 7.1744 7.3151 7.3823 7.4583 7.4996 7.8915 7.9185 8.0218 8.0379 8.2843 8.2913 9.2224 9.2476 9.6531 9.6595 10.0089 10.0163 10.2035 10.2105 10.2809 10.2886 10.6673 10.6727 10.8450 10.8453 k = 0.2941 0.2941-0.0000 ( 10089 PWs) bands (ev): -19.0093 -19.0093 -18.9801 -18.9800 -18.9490 -18.9490 -18.9402 -18.9402 -5.8303 -5.8244 -5.8070 -5.7964 -5.7646 -5.7521 -5.6626 -5.6619 -4.1095 -4.0812 -4.0617 -3.9626 -3.9501 -3.9275 -3.8557 -3.7878 -3.7843 -3.7749 -3.7512 -3.6891 -3.6242 -3.5316 -3.5205 -3.4902 -1.1480 -1.1473 -0.5297 -0.4998 -0.0393 -0.0120 0.4967 0.4985 1.2871 1.2996 2.0281 2.0297 3.3514 3.3520 4.3819 4.3866 4.9901 5.0217 5.2407 5.2480 5.2895 5.3284 5.6876 5.6882 6.6385 6.6601 7.0311 7.0570 7.1223 7.1400 7.3081 7.3780 7.4242 7.4650 7.9076 7.9477 8.0309 8.0648 8.3530 8.3619 9.2197 9.2440 9.6827 9.6890 10.0162 10.0194 10.2296 10.2339 10.2386 10.2452 10.7763 10.7821 10.9454 10.9464 k = 0.2794 0.2794-0.0000 ( 10093 PWs) bands (ev): -19.0112 -19.0112 -18.9787 -18.9787 -18.9490 -18.9490 -18.9396 -18.9396 -5.8313 -5.8254 -5.8078 -5.7970 -5.7664 -5.7536 -5.6546 -5.6540 -4.1092 -4.0801 -4.0653 -3.9585 -3.9494 -3.9241 -3.8490 -3.7861 -3.7792 -3.7789 -3.7411 -3.6842 -3.6334 -3.5389 -3.5222 -3.4925 -1.1971 -1.1965 -0.5144 -0.4830 -0.0334 -0.0052 0.5554 0.5579 1.2137 1.2271 2.0235 2.0251 3.3180 3.3189 4.4646 4.4709 4.9868 5.0175 5.2484 5.2572 5.2916 5.3306 5.6990 5.7006 6.6106 6.6336 7.0268 7.0477 7.0909 7.1098 7.2998 7.3658 7.3973 7.4313 7.9124 7.9558 8.0640 8.1059 8.4247 8.4358 9.2162 9.2395 9.7102 9.7156 10.0130 10.0152 10.1925 10.2013 10.2584 10.2602 10.8864 10.8926 10.9882 11.0014 k = 0.2647 0.2647-0.0000 ( 10073 PWs) bands (ev): -19.0131 -19.0131 -18.9773 -18.9773 -18.9489 -18.9489 -18.9392 -18.9392 -5.8320 -5.8262 -5.8086 -5.7976 -5.7684 -5.7553 -5.6467 -5.6462 -4.1083 -4.0788 -4.0685 -3.9558 -3.9497 -3.9196 -3.8428 -3.7866 -3.7823 -3.7719 -3.7301 -3.6798 -3.6413 -3.5464 -3.5238 -3.4950 -1.2459 -1.2454 -0.4977 -0.4649 -0.0271 0.0016 0.6156 0.6187 1.1410 1.1552 2.0188 2.0205 3.2797 3.2810 4.5458 4.5539 4.9860 5.0154 5.2562 5.2666 5.2946 5.3332 5.7045 5.7084 6.5902 6.6142 7.0221 7.0374 7.0643 7.0851 7.2897 7.3398 7.3838 7.3995 7.9135 7.9551 8.1096 8.1542 8.4979 8.5115 9.2113 9.2335 9.7343 9.7379 9.9988 10.0065 10.1539 10.1630 10.2804 10.2857 10.9384 10.9509 10.9922 10.9979 k = 0.2500 0.2500-0.0000 ( 10067 PWs) bands (ev): -19.0149 -19.0149 -18.9758 -18.9758 -18.9489 -18.9489 -18.9389 -18.9389 -5.8325 -5.8268 -5.8093 -5.7983 -5.7704 -5.7572 -5.6389 -5.6385 -4.1070 -4.0774 -4.0712 -3.9545 -3.9510 -3.9143 -3.8373 -3.7933 -3.7806 -3.7626 -3.7192 -3.6758 -3.6475 -3.5540 -3.5253 -3.4978 -1.2942 -1.2937 -0.4796 -0.4456 -0.0206 0.0086 0.6771 0.6810 1.0691 1.0842 2.0140 2.0157 3.2365 3.2381 4.6250 4.6352 4.9880 5.0158 5.2639 5.2760 5.2983 5.3361 5.7052 5.7111 6.5770 6.6014 7.0148 7.0248 7.0449 7.0671 7.2776 7.3089 7.3700 7.3754 7.9154 7.9550 8.1590 8.2057 8.5704 8.5871 9.2045 9.2257 9.7531 9.7537 9.9807 9.9933 10.1193 10.1286 10.3029 10.3103 10.8917 10.9051 10.9604 10.9674 k = 0.2353 0.2353-0.0000 ( 10071 PWs) bands (ev): -19.0167 -19.0167 -18.9743 -18.9743 -18.9489 -18.9489 -18.9386 -18.9386 -5.8326 -5.8272 -5.8100 -5.7989 -5.7725 -5.7592 -5.6312 -5.6309 -4.1050 -4.0758 -4.0733 -3.9542 -3.9532 -3.9085 -3.8324 -3.8019 -3.7781 -3.7514 -3.7089 -3.6724 -3.6516 -3.5614 -3.5267 -3.5008 -1.3417 -1.3414 -0.4601 -0.4251 -0.0137 0.0156 0.7400 0.7447 0.9984 1.0143 2.0092 2.0109 3.1882 3.1902 4.7017 4.7141 4.9930 5.0188 5.2716 5.2855 5.3028 5.3394 5.7012 5.7091 6.5702 6.5944 7.0031 7.0110 7.0342 7.0547 7.2631 7.2783 7.3433 7.3669 7.9205 7.9583 8.2093 8.2580 8.6397 8.6600 9.1956 9.2159 9.7607 9.7637 9.9646 9.9809 10.0885 10.0980 10.3262 10.3338 10.8490 10.8625 10.9305 10.9350 k = 0.2206 0.2206-0.0000 ( 10085 PWs) bands (ev): -19.0185 -19.0185 -18.9727 -18.9727 -18.9489 -18.9489 -18.9385 -18.9385 -5.8325 -5.8273 -5.8105 -5.7996 -5.7746 -5.7614 -5.6238 -5.6235 -4.1026 -4.0749 -4.0741 -3.9561 -3.9549 -3.9026 -3.8279 -3.8115 -3.7754 -3.7388 -3.7000 -3.6699 -3.6527 -3.5685 -3.5279 -3.5039 -1.3883 -1.3880 -0.4392 -0.4032 -0.0066 0.0226 0.8039 0.8097 0.9292 0.9457 2.0043 2.0060 3.1347 3.1372 4.7750 4.7901 5.0013 5.0249 5.2792 5.2947 5.3083 5.3431 5.6932 5.7029 6.5690 6.5923 6.9905 6.9983 7.0291 7.0458 7.2465 7.2494 7.3196 7.3576 7.9297 7.9664 8.2590 8.3097 8.7028 8.7272 9.1848 9.2045 9.7573 9.7636 9.9566 9.9741 10.0611 10.0709 10.3501 10.3561 10.8112 10.8245 10.9086 10.9101 k = 0.2059 0.2059-0.0000 ( 10087 PWs) bands (ev): -19.0201 -19.0201 -18.9711 -18.9711 -18.9489 -18.9489 -18.9384 -18.9384 -5.8322 -5.8273 -5.8110 -5.8002 -5.7768 -5.7637 -5.6166 -5.6164 -4.0997 -4.0759 -4.0722 -3.9597 -3.9563 -3.8969 -3.8238 -3.8217 -3.7726 -3.7253 -3.6932 -3.6686 -3.6501 -3.5749 -3.5291 -3.5071 -1.4337 -1.4335 -0.4168 -0.3800 0.0006 0.0295 0.8507 0.8701 0.8800 0.8846 1.9995 2.0012 3.0763 3.0792 4.8444 4.8624 5.0130 5.0342 5.2867 5.3037 5.3146 5.3474 5.6818 5.6931 6.5720 6.5939 6.9806 6.9883 7.0263 7.0390 7.2228 7.2283 7.2986 7.3471 7.9434 7.9793 8.3072 8.3596 8.7557 8.7847 9.1729 9.1921 9.7447 9.7532 9.9599 9.9763 10.0363 10.0462 10.3750 10.3780 10.7786 10.7916 10.8941 10.8959 k = 0.1912 0.1912-0.0000 ( 10087 PWs) bands (ev): -19.0217 -19.0217 -18.9695 -18.9694 -18.9488 -18.9488 -18.9385 -18.9385 -5.8316 -5.8270 -5.8113 -5.8009 -5.7791 -5.7662 -5.6097 -5.6095 -4.0962 -4.0763 -4.0701 -3.9638 -3.9584 -3.8918 -3.8319 -3.8199 -3.7700 -3.7114 -3.6889 -3.6685 -3.6437 -3.5803 -3.5301 -3.5105 -1.4778 -1.4776 -0.3929 -0.3555 0.0080 0.0363 0.7907 0.8114 0.9404 0.9456 1.9948 1.9964 3.0131 3.0166 4.9087 4.9305 5.0286 5.0469 5.2942 5.3123 5.3216 5.3520 5.6674 5.6802 6.5782 6.5983 6.9744 6.9816 7.0252 7.0341 7.1989 7.2095 7.2797 7.3356 7.9614 7.9970 8.3528 8.4066 8.7946 8.8284 9.1610 9.1801 9.7260 9.7361 9.9734 9.9890 10.0147 10.0231 10.4011 10.4020 10.7515 10.7641 10.8875 10.8927 k = 0.1765 0.1765-0.0000 ( 10103 PWs) bands (ev): -19.0232 -19.0232 -18.9678 -18.9678 -18.9488 -18.9488 -18.9387 -18.9387 -5.8307 -5.8266 -5.8116 -5.8016 -5.7814 -5.7688 -5.6031 -5.6030 -4.0923 -4.0760 -4.0679 -3.9683 -3.9611 -3.8882 -3.8413 -3.8160 -3.7676 -3.6975 -3.6863 -3.6701 -3.6345 -3.5841 -3.5310 -3.5138 -1.5201 -1.5200 -0.3675 -0.3297 0.0153 0.0429 0.7254 0.7469 1.0091 1.0152 1.9902 1.9917 2.9455 2.9495 4.9665 4.9932 5.0491 5.0635 5.3017 5.3205 5.3294 5.3571 5.6506 5.6647 6.5863 6.6041 6.9717 6.9777 7.0265 7.0320 7.1779 7.1909 7.2626 7.3234 7.9832 8.0190 8.3943 8.4492 8.8159 8.8541 9.1505 9.1702 9.7041 9.7157 9.9777 9.9984 10.0151 10.0160 10.4270 10.4321 10.7302 10.7422 10.8892 10.8977 k = 0.1618 0.1618-0.0000 ( 10077 PWs) bands (ev): -19.0247 -19.0247 -18.9661 -18.9661 -18.9488 -18.9488 -18.9390 -18.9390 -5.8296 -5.8260 -5.8117 -5.8022 -5.7838 -5.7716 -5.5970 -5.5969 -4.0879 -4.0749 -4.0656 -3.9732 -3.9644 -3.8878 -3.8477 -3.8122 -3.7656 -3.6846 -3.6842 -3.6730 -3.6236 -3.5862 -3.5317 -3.5171 -1.5606 -1.5605 -0.3406 -0.3025 0.0226 0.0492 0.6613 0.6839 1.0798 1.0865 1.9858 1.9873 2.8740 2.8785 5.0153 5.0477 5.0762 5.0860 5.3091 5.3281 5.3377 5.3625 5.6319 5.6471 6.5951 6.6105 6.9717 6.9754 7.0311 7.0337 7.1603 7.1734 7.2473 7.3112 8.0082 8.0446 8.4304 8.4859 8.8179 8.8597 9.1434 9.1642 9.6808 9.6937 9.9560 9.9745 10.0545 10.0563 10.4573 10.4661 10.7149 10.7261 10.8971 10.9087 k = 0.1471 0.1471-0.0000 ( 10077 PWs) bands (ev): -19.0260 -19.0260 -18.9644 -18.9644 -18.9488 -18.9488 -18.9394 -18.9394 -5.8283 -5.8252 -5.8118 -5.8029 -5.7862 -5.7744 -5.5912 -5.5911 -4.0832 -4.0731 -4.0631 -3.9782 -3.9684 -3.8924 -3.8493 -3.8084 -3.7640 -3.6822 -3.6803 -3.6700 -3.6120 -3.5862 -3.5324 -3.5203 -1.5989 -1.5988 -0.3121 -0.2739 0.0297 0.0552 0.5985 0.6224 1.1522 1.1593 1.9816 1.9830 2.7989 2.8039 5.0535 5.0868 5.1112 5.1211 5.3165 5.3350 5.3463 5.3681 5.6115 5.6277 6.6035 6.6164 6.9735 6.9738 7.0398 7.0399 7.1467 7.1573 7.2344 7.2997 8.0356 8.0731 8.4594 8.5149 8.8011 8.8451 9.1416 9.1642 9.6566 9.6703 9.9283 9.9477 10.1127 10.1138 10.4928 10.5044 10.7059 10.7159 10.9089 10.9234 k = 0.1324 0.1324-0.0000 ( 10067 PWs) bands (ev): -19.0272 -19.0272 -18.9628 -18.9627 -18.9488 -18.9488 -18.9399 -18.9399 -5.8268 -5.8242 -5.8118 -5.8035 -5.7886 -5.7773 -5.5858 -5.5858 -4.0782 -4.0704 -4.0605 -3.9834 -3.9728 -3.9011 -3.8465 -3.8046 -3.7629 -3.6864 -3.6798 -3.6600 -3.6003 -3.5842 -3.5330 -3.5233 -1.6348 -1.6347 -0.2821 -0.2440 0.0366 0.0608 0.5373 0.5626 1.2261 1.2337 1.9777 1.9789 2.7208 2.7263 5.0844 5.1144 5.1500 5.1643 5.3239 5.3413 5.3550 5.3736 5.5899 5.6068 6.6108 6.6211 6.9724 6.9761 7.0493 7.0527 7.1378 7.1431 7.2254 7.2903 8.0648 8.1036 8.4799 8.5349 8.7681 8.8128 9.1468 9.1720 9.6322 9.6459 9.8971 9.9180 10.1858 10.1872 10.5340 10.5470 10.7032 10.7117 10.9222 10.9394 k = 0.1176 0.1176-0.0000 ( 10051 PWs) bands (ev): -19.0283 -19.0283 -18.9611 -18.9611 -18.9488 -18.9488 -18.9405 -18.9405 -5.8250 -5.8231 -5.8117 -5.8042 -5.7910 -5.7803 -5.5810 -5.5809 -4.0732 -4.0666 -4.0577 -3.9887 -3.9778 -3.9122 -3.8413 -3.8009 -3.7622 -3.6942 -3.6771 -3.6515 -3.5888 -3.5801 -3.5335 -3.5261 -1.6679 -1.6678 -0.2505 -0.2126 0.0432 0.0660 0.4777 0.5044 1.3017 1.3096 1.9741 1.9752 2.6402 2.6462 5.1128 5.1404 5.1879 5.2053 5.3313 5.3469 5.3633 5.3787 5.5671 5.5846 6.6163 6.6243 6.9711 6.9789 7.0596 7.0674 7.1311 7.1340 7.2225 7.2851 8.0951 8.1356 8.4911 8.5452 8.7224 8.7666 9.1603 9.1887 9.6084 9.6213 9.8623 9.8850 10.2703 10.2733 10.5814 10.5938 10.7069 10.7135 10.9351 10.9546 k = 0.1029 0.1029-0.0000 ( 10055 PWs) bands (ev): -19.0293 -19.0293 -18.9594 -18.9594 -18.9487 -18.9487 -18.9412 -18.9412 -5.8231 -5.8218 -5.8115 -5.8048 -5.7934 -5.7834 -5.5766 -5.5766 -4.0685 -4.0614 -4.0548 -3.9940 -3.9833 -3.9241 -3.8347 -3.7971 -3.7621 -3.7030 -3.6740 -3.6453 -3.5779 -3.5743 -3.5340 -3.5286 -1.6979 -1.6979 -0.2173 -0.1799 0.0494 0.0707 0.4197 0.4479 1.3787 1.3870 1.9708 1.9717 2.5576 2.5640 5.1407 5.1669 5.2224 5.2417 5.3385 5.3517 5.3710 5.3833 5.5436 5.5614 6.6199 6.6259 6.9701 6.9815 7.0685 7.0808 7.1214 7.1342 7.2288 7.2867 8.1259 8.1684 8.4927 8.5459 8.6682 8.7106 9.1823 9.2140 9.5860 9.5973 9.8241 9.8486 10.3612 10.3674 10.6356 10.6446 10.7173 10.7210 10.9465 10.9678 k = 0.0882 0.0882-0.0000 ( 10059 PWs) bands (ev): -19.0301 -19.0301 -18.9578 -18.9578 -18.9487 -18.9487 -18.9420 -18.9420 -5.8211 -5.8204 -5.8112 -5.8055 -5.7958 -5.7864 -5.5728 -5.5728 -4.0637 -4.0552 -4.0516 -3.9993 -3.9891 -3.9363 -3.8273 -3.7933 -3.7624 -3.7124 -3.6705 -3.6414 -3.5678 -3.5674 -3.5344 -3.5307 -1.7247 -1.7247 -0.1826 -0.1459 0.0550 0.0748 0.3633 0.3931 1.4573 1.4658 1.9679 1.9687 2.4733 2.4801 5.1686 5.1943 5.2530 5.2730 5.3456 5.3557 5.3776 5.3868 5.5195 5.5373 6.6216 6.6260 6.9692 6.9832 7.0754 7.0898 7.1142 7.1351 7.2465 7.2977 8.1570 8.2015 8.4855 8.5381 8.6095 8.6492 9.2122 9.2471 9.5659 9.5749 9.7828 9.8091 10.4525 10.4637 10.6977 10.6981 10.7337 10.7365 10.9563 10.9785 k = 0.0735 0.0735-0.0000 ( 10049 PWs) bands (ev): -19.0308 -19.0308 -18.9561 -18.9561 -18.9487 -18.9487 -18.9429 -18.9429 -5.8189 -5.8188 -5.8109 -5.8061 -5.7982 -5.7895 -5.5695 -5.5695 -4.0588 -4.0483 -4.0481 -4.0045 -3.9953 -3.9484 -3.8193 -3.7897 -3.7632 -3.7223 -3.6669 -3.6395 -3.5601 -3.5589 -3.5348 -3.5324 -1.7479 -1.7479 -0.1462 -0.1105 0.0599 0.0784 0.3087 0.3401 1.5373 1.5460 1.9653 1.9660 2.3879 2.3951 5.1967 5.2222 5.2796 5.2994 5.3525 5.3587 5.3827 5.3889 5.4952 5.5125 6.6220 6.6249 6.9683 6.9836 7.0815 7.0944 7.1094 7.1334 7.2741 7.3179 8.1878 8.2347 8.4705 8.5230 8.5505 8.5867 9.2486 9.2865 9.5487 9.5548 9.7389 9.7668 10.5375 10.5548 10.7387 10.7491 10.7707 10.7771 10.9680 10.9887 k = 0.0588 0.0588-0.0000 ( 10035 PWs) bands (ev): -19.0314 -19.0314 -18.9546 -18.9546 -18.9487 -18.9487 -18.9439 -18.9439 -5.8172 -5.8165 -5.8104 -5.8068 -5.8005 -5.7926 -5.5668 -5.5668 -4.0535 -4.0448 -4.0404 -4.0097 -4.0018 -3.9604 -3.8108 -3.7861 -3.7645 -3.7324 -3.6630 -3.6392 -3.5531 -3.5513 -3.5351 -3.5338 -1.7673 -1.7673 -0.1081 -0.0739 0.0641 0.0815 0.2557 0.2889 1.6186 1.6274 1.9633 1.9637 2.3017 2.3092 5.2247 5.2504 5.3022 5.3210 5.3591 5.3607 5.3860 5.3893 5.4712 5.4873 6.6213 6.6233 6.9677 6.9824 7.0873 7.0964 7.1068 7.1289 7.3075 7.3439 8.2180 8.2677 8.4481 8.4920 8.5055 8.5277 9.2899 9.3304 9.5348 9.5372 9.6929 9.7220 10.6115 10.6340 10.7658 10.7684 10.8299 10.8421 10.9937 11.0076 k = 0.0441 0.0441-0.0000 ( 10039 PWs) bands (ev): -19.0319 -19.0319 -18.9530 -18.9530 -18.9487 -18.9487 -18.9450 -18.9450 -5.8154 -5.8141 -5.8098 -5.8074 -5.8029 -5.7957 -5.5647 -5.5647 -4.0478 -4.0411 -4.0322 -4.0147 -4.0085 -3.9720 -3.8019 -3.7826 -3.7661 -3.7427 -3.6590 -3.6401 -3.5469 -3.5452 -3.5354 -3.5348 -1.7827 -1.7827 -0.0685 -0.0362 0.0672 0.0844 0.2043 0.2397 1.7012 1.7101 1.9617 1.9619 2.2150 2.2228 5.2524 5.2785 5.3209 5.3375 5.3613 5.3653 5.3874 5.3879 5.4481 5.4620 6.6202 6.6214 6.9674 6.9801 7.0930 7.0974 7.1061 7.1226 7.3421 7.3707 8.2473 8.3004 8.4183 8.4452 8.4779 8.4805 9.3347 9.3776 9.5222 9.5246 9.6458 9.6753 10.6738 10.6987 10.7874 10.7909 10.8577 10.8867 11.0552 11.0592 k = 0.0294 0.0294-0.0000 ( 10039 PWs) bands (ev): -19.0323 -19.0323 -18.9515 -18.9515 -18.9487 -18.9487 -18.9461 -18.9461 -5.8135 -5.8120 -5.8088 -5.8081 -5.8051 -5.7988 -5.5632 -5.5632 -4.0417 -4.0372 -4.0235 -4.0194 -4.0152 -3.9832 -3.7926 -3.7793 -3.7682 -3.7530 -3.6551 -3.6420 -3.5421 -3.5409 -3.5357 -3.5355 -1.7938 -1.7938 -0.0272 0.0016 0.0689 0.0878 0.1547 0.1928 1.7848 1.7938 1.9605 1.9606 2.1283 2.1363 5.2793 5.3060 5.3357 5.3466 5.3604 5.3696 5.3863 5.3878 5.4276 5.4374 6.6191 6.6198 6.9678 6.9770 7.0981 7.0986 7.1062 7.1160 7.3731 7.3932 8.2750 8.3326 8.3835 8.4104 8.4403 8.4538 9.3814 9.4267 9.5091 9.5186 9.5988 9.6270 10.7264 10.7498 10.8032 10.8146 10.8558 10.8932 11.1467 11.1471 k = 0.0147 0.0147-0.0000 ( 10047 PWs) bands (ev): -19.0325 -19.0325 -18.9501 -18.9501 -18.9487 -18.9487 -18.9474 -18.9474 -5.8116 -5.8105 -5.8088 -5.8074 -5.8070 -5.8017 -5.5622 -5.5622 -4.0354 -4.0331 -4.0243 -4.0220 -4.0140 -3.9940 -3.7831 -3.7761 -3.7706 -3.7632 -3.6513 -3.6446 -3.5387 -3.5382 -3.5361 -3.5360 -1.8005 -1.8005 0.0158 0.0369 0.0681 0.0944 0.1067 0.1494 1.8694 1.8785 1.9595 1.9602 2.0420 2.0499 5.3048 5.3319 5.3432 5.3465 5.3580 5.3672 5.3892 5.3909 5.4111 5.4154 6.6183 6.6186 6.9690 6.9738 7.1009 7.1021 7.1059 7.1098 7.3962 7.4066 8.3003 8.3506 8.3643 8.3930 8.4127 8.4251 9.4278 9.4768 9.4948 9.5181 9.5557 9.5775 10.7710 10.7873 10.8117 10.8356 10.8383 10.8801 11.2385 11.2388 k = 0.0000 0.0000 0.0000 ( 10059 PWs) bands (ev): -19.0325 -19.0325 -18.9487 -18.9487 -18.9487 -18.9487 -18.9487 -18.9487 -5.8095 -5.8095 -5.8095 -5.8095 -5.8045 -5.8045 -5.5619 -5.5619 -4.0288 -4.0288 -4.0288 -4.0288 -4.0042 -4.0042 -3.7732 -3.7732 -3.7732 -3.7732 -3.6478 -3.6478 -3.5368 -3.5368 -3.5368 -3.5368 -1.8027 -1.8027 0.0604 0.0604 0.0604 0.0604 0.1136 0.1136 1.9510 1.9510 1.9639 1.9639 1.9639 1.9639 5.3272 5.3272 5.3537 5.3537 5.3537 5.3537 5.3990 5.3990 5.3990 5.3990 6.6181 6.6181 6.9711 6.9711 7.1047 7.1047 7.1047 7.1047 7.4079 7.4079 8.3240 8.3240 8.3952 8.3952 8.3952 8.3952 9.4690 9.4690 9.5273 9.5273 9.5273 9.5273 10.8080 10.8080 10.8080 10.8080 10.8591 10.8591 11.2840 11.2840 k = 0.0000 0.0000 0.0000 ( 10059 PWs) bands (ev): -19.0325 -19.0325 -18.9487 -18.9487 -18.9487 -18.9487 -18.9487 -18.9487 -5.8095 -5.8095 -5.8095 -5.8095 -5.8045 -5.8045 -5.5619 -5.5619 -4.0288 -4.0288 -4.0288 -4.0288 -4.0042 -4.0042 -3.7732 -3.7732 -3.7732 -3.7732 -3.6478 -3.6478 -3.5368 -3.5368 -3.5368 -3.5368 -1.8027 -1.8027 0.0604 0.0604 0.0604 0.0604 0.1136 0.1136 1.9510 1.9510 1.9639 1.9639 1.9639 1.9639 5.3272 5.3272 5.3537 5.3537 5.3537 5.3537 5.3990 5.3990 5.3990 5.3990 6.6181 6.6181 6.9711 6.9711 7.1047 7.1047 7.1047 7.1047 7.4079 7.4079 8.3240 8.3240 8.3952 8.3952 8.3952 8.3952 9.4690 9.4690 9.5273 9.5273 9.5273 9.5273 10.8080 10.8080 10.8080 10.8080 10.8591 10.8591 11.2840 11.2840 k = 0.0122 0.0122 0.0122 ( 10056 PWs) bands (ev): -19.0325 -19.0325 -18.9501 -18.9501 -18.9487 -18.9487 -18.9474 -18.9474 -5.8116 -5.8106 -5.8086 -5.8074 -5.8070 -5.8017 -5.5622 -5.5622 -4.0348 -4.0340 -4.0235 -4.0224 -4.0142 -3.9938 -3.7835 -3.7749 -3.7719 -3.7627 -3.6514 -3.6446 -3.5389 -3.5379 -3.5367 -3.5356 -1.8004 -1.8004 0.0148 0.0376 0.0665 0.0944 0.1080 0.1500 1.8678 1.8772 1.9599 1.9601 2.0433 2.0510 5.3044 5.3309 5.3430 5.3486 5.3572 5.3671 5.3882 5.3908 5.4120 5.4156 6.6183 6.6186 6.9690 6.9739 7.1012 7.1016 7.1062 7.1098 7.3959 7.4065 8.3001 8.3510 8.3646 8.3916 8.4138 8.4255 9.4272 9.4765 9.4950 9.5171 9.5569 9.5781 10.7712 10.7860 10.8112 10.8359 10.8377 10.8808 11.2377 11.2379 k = 0.0244 0.0244 0.0244 ( 10044 PWs) bands (ev): -19.0322 -19.0322 -18.9516 -18.9516 -18.9487 -18.9487 -18.9461 -18.9461 -5.8136 -5.8122 -5.8088 -5.8077 -5.8053 -5.7987 -5.5632 -5.5632 -4.0405 -4.0391 -4.0236 -4.0183 -4.0158 -3.9828 -3.7933 -3.7770 -3.7709 -3.7519 -3.6553 -3.6419 -3.5429 -3.5389 -3.5383 -3.5343 -1.7935 -1.7935 -0.0288 0.0028 0.0654 0.0877 0.1575 0.1943 1.7815 1.7910 1.9611 1.9620 2.1308 2.1383 5.2781 5.3037 5.3382 5.3531 5.3563 5.3693 5.3790 5.3896 5.4297 5.4389 6.6191 6.6198 6.9678 6.9770 7.0971 7.0994 7.1060 7.1163 7.3721 7.3925 8.2752 8.3343 8.3841 8.4071 8.4419 8.4550 9.3803 9.4264 9.5092 9.5165 9.6012 9.6283 10.7286 10.7486 10.7965 10.8077 10.8594 10.8970 11.1467 11.1468 k = 0.0366 0.0366 0.0366 ( 10023 PWs) bands (ev): -19.0319 -19.0319 -18.9530 -18.9530 -18.9488 -18.9488 -18.9449 -18.9449 -5.8155 -5.8144 -5.8098 -5.8068 -5.8032 -5.7956 -5.5648 -5.5648 -4.0459 -4.0439 -4.0325 -4.0132 -4.0089 -3.9714 -3.8028 -3.7794 -3.7702 -3.7409 -3.6593 -3.6401 -3.5489 -3.5413 -3.5397 -3.5328 -1.7820 -1.7820 -0.0703 -0.0342 0.0611 0.0838 0.2090 0.2423 1.6960 1.7057 1.9631 1.9649 2.2182 2.2253 5.2502 5.2748 5.3265 5.3460 5.3533 5.3651 5.3747 5.3918 5.4519 5.4651 6.6201 6.6214 6.9675 6.9799 7.0916 7.0997 7.1042 7.1240 7.3402 7.3692 8.2490 8.3046 8.4197 8.4397 8.4786 8.4826 9.3338 9.3781 9.5209 9.5217 9.6493 9.6773 10.6813 10.7017 10.7603 10.7645 10.8720 10.9040 11.0589 11.0598 k = 0.0488 0.0488 0.0488 ( 10044 PWs) bands (ev): -19.0314 -19.0314 -18.9546 -18.9546 -18.9488 -18.9488 -18.9438 -18.9438 -5.8173 -5.8168 -5.8104 -5.8058 -5.8011 -5.7926 -5.5670 -5.5669 -4.0510 -4.0485 -4.0409 -4.0084 -4.0018 -3.9595 -3.8119 -3.7820 -3.7699 -3.7298 -3.6635 -3.6395 -3.5569 -3.5452 -3.5403 -3.5313 -1.7662 -1.7662 -0.1099 -0.0704 0.0548 0.0799 0.2623 0.2928 1.6115 1.6214 1.9661 1.9686 2.3052 2.3118 5.2214 5.2452 5.3104 5.3269 5.3488 5.3591 5.3742 5.3943 5.4765 5.4920 6.6208 6.6228 6.9676 6.9815 7.0855 7.1012 7.1021 7.1327 7.3043 7.3407 8.2223 8.2758 8.4506 8.4849 8.5071 8.5258 9.2901 9.3326 9.5291 9.5357 9.6971 9.7244 10.6303 10.6485 10.6962 10.6981 10.8748 10.8998 10.9956 11.0001 k = 0.0610 0.0610 0.0610 ( 10038 PWs) bands (ev): -19.0308 -19.0308 -18.9561 -18.9561 -18.9489 -18.9489 -18.9428 -18.9428 -5.8192 -5.8191 -5.8108 -5.8047 -5.7991 -5.7895 -5.5698 -5.5697 -4.0558 -4.0527 -4.0488 -4.0040 -3.9944 -3.9472 -3.8205 -3.7849 -3.7700 -3.7186 -3.6678 -3.6404 -3.5666 -3.5494 -3.5407 -3.5297 -1.7463 -1.7463 -0.1473 -0.1052 0.0471 0.0752 0.3175 0.3454 1.5282 1.5383 1.9701 1.9732 2.3913 2.3975 5.1921 5.2154 5.2890 5.3016 5.3417 5.3523 5.3744 5.3965 5.5022 5.5190 6.6204 6.6233 6.9675 6.9807 7.0798 7.0981 7.1069 7.1422 7.2686 7.3115 8.1958 8.2478 8.4731 8.5269 8.5379 8.5818 9.2507 9.2912 9.5407 9.5520 9.7431 9.7689 10.5767 10.5874 10.6075 10.6138 10.8678 10.8855 10.9610 10.9704 k = 0.0732 0.0732 0.0732 ( 10047 PWs) bands (ev): -19.0300 -19.0300 -18.9577 -18.9577 -18.9490 -18.9490 -18.9419 -18.9419 -5.8214 -5.8206 -5.8111 -5.8036 -5.7972 -5.7865 -5.5731 -5.5731 -4.0601 -4.0570 -4.0558 -4.0000 -3.9867 -3.9347 -3.8286 -3.7881 -3.7703 -3.7074 -3.6721 -3.6433 -3.5780 -3.5534 -3.5408 -3.5280 -1.7224 -1.7223 -0.1827 -0.1383 0.0381 0.0697 0.3744 0.4000 1.4464 1.4565 1.9748 1.9786 2.4762 2.4820 5.1626 5.1858 5.2616 5.2709 5.3335 5.3453 5.3746 5.3981 5.5283 5.5457 6.6179 6.6218 6.9660 6.9765 7.0763 7.0965 7.1142 7.1525 7.2365 7.2846 8.1699 8.2206 8.4868 8.5403 8.5947 8.6415 9.2174 9.2553 9.5553 9.5706 9.7864 9.8103 10.5005 10.5066 10.5214 10.5416 10.8510 10.8637 10.9485 10.9603 k = 0.0854 0.0854 0.0854 ( 10047 PWs) bands (ev): -19.0292 -19.0292 -18.9593 -18.9593 -18.9491 -18.9491 -18.9410 -18.9410 -5.8235 -5.8220 -5.8112 -5.8023 -5.7954 -5.7835 -5.5771 -5.5771 -4.0642 -4.0637 -4.0594 -3.9965 -3.9789 -3.9219 -3.8362 -3.7914 -3.7709 -3.6963 -3.6763 -3.6484 -3.5908 -3.5564 -3.5407 -3.5262 -1.6948 -1.6948 -0.2161 -0.1695 0.0281 0.0633 0.4329 0.4563 1.3661 1.3762 1.9803 1.9846 2.5595 2.5648 5.1330 5.1567 5.2277 5.2351 5.3250 5.3383 5.3746 5.3994 5.5544 5.5720 6.6120 6.6170 6.9627 6.9693 7.0768 7.0978 7.1243 7.1632 7.2102 7.2619 8.1446 8.1941 8.4910 8.5454 8.6519 8.7008 9.1915 9.2266 9.5729 9.5915 9.8259 9.8478 10.3998 10.4038 10.4655 10.4803 10.8255 10.8344 10.9519 10.9643 k = 0.0976 0.0976 0.0976 ( 10044 PWs) bands (ev): -19.0282 -19.0282 -18.9609 -18.9609 -18.9493 -18.9493 -18.9403 -18.9403 -5.8254 -5.8233 -5.8114 -5.8010 -5.7936 -5.7807 -5.5816 -5.5816 -4.0703 -4.0678 -4.0622 -3.9937 -3.9709 -3.9091 -3.8433 -3.7949 -3.7717 -3.6855 -3.6806 -3.6559 -3.6047 -3.5583 -3.5404 -3.5244 -1.6639 -1.6638 -0.2475 -0.1989 0.0172 0.0562 0.4931 0.5144 1.2875 1.2975 1.9865 1.9913 2.6406 2.6455 5.1033 5.1284 5.1874 5.1947 5.3167 5.3315 5.3744 5.4004 5.5803 5.5977 6.6016 6.6075 6.9581 6.9612 7.0830 7.1023 7.1372 7.1743 7.1901 7.2436 8.1198 8.1683 8.4850 8.5407 8.7063 8.7562 9.1739 9.2060 9.5932 9.6146 9.8608 9.8807 10.3012 10.3053 10.4100 10.4205 10.7922 10.7977 10.9684 10.9806 k = 0.1098 0.1098 0.1098 ( 10056 PWs) bands (ev): -19.0270 -19.0270 -18.9624 -18.9624 -18.9494 -18.9494 -18.9397 -18.9397 -5.8270 -5.8243 -5.8114 -5.7996 -5.7920 -5.7779 -5.5866 -5.5866 -4.0766 -4.0711 -4.0644 -3.9916 -3.9628 -3.8965 -3.8498 -3.7984 -3.7726 -3.6849 -3.6749 -3.6654 -3.6195 -3.5589 -3.5397 -3.5225 -1.6298 -1.6298 -0.2768 -0.2264 0.0058 0.0484 0.5548 0.5739 1.2107 1.2204 1.9933 1.9986 2.7192 2.7236 5.0727 5.1011 5.1408 5.1506 5.3088 5.3252 5.3740 5.4012 5.6059 5.6227 6.5861 6.5926 6.9543 6.9550 7.0952 7.1094 7.1530 7.1757 7.1857 7.2292 8.0955 8.1427 8.4684 8.5255 8.7553 8.8047 9.1646 9.1940 9.6159 9.6396 9.8902 9.9081 10.2101 10.2151 10.3558 10.3623 10.7527 10.7545 10.9965 11.0084 k = 0.1220 0.1220 0.1220 ( 10080 PWs) bands (ev): -19.0258 -19.0258 -18.9640 -18.9640 -18.9496 -18.9496 -18.9392 -18.9392 -5.8285 -5.8252 -5.8114 -5.7982 -5.7905 -5.7752 -5.5921 -5.5921 -4.0826 -4.0740 -4.0661 -3.9903 -3.9546 -3.8843 -3.8557 -3.8020 -3.7737 -3.6892 -3.6763 -3.6647 -3.6350 -3.5586 -3.5386 -3.5206 -1.5930 -1.5929 -0.3041 -0.2520 -0.0061 0.0401 0.6179 0.6349 1.1359 1.1451 2.0006 2.0062 2.7947 2.7987 5.0392 5.0753 5.0882 5.1054 5.3016 5.3196 5.3737 5.4019 5.6311 5.6471 6.5656 6.5728 6.9526 6.9534 7.1126 7.1184 7.1661 7.1713 7.1978 7.2177 8.0712 8.1173 8.4420 8.4999 8.7961 8.8436 9.1629 9.1901 9.6405 9.6661 9.9133 9.9292 10.1299 10.1367 10.3040 10.3065 10.7065 10.7084 11.0355 11.0470 k = 0.1341 0.1341 0.1341 ( 10086 PWs) bands (ev): -19.0244 -19.0244 -18.9655 -18.9655 -18.9498 -18.9498 -18.9388 -18.9388 -5.8296 -5.8258 -5.8113 -5.7967 -5.7892 -5.7727 -5.5981 -5.5980 -4.0881 -4.0765 -4.0672 -3.9900 -3.9464 -3.8727 -3.8609 -3.8056 -3.7749 -3.6937 -3.6879 -3.6550 -3.6506 -3.5574 -3.5371 -3.5187 -1.5536 -1.5536 -0.3295 -0.2757 -0.0183 0.0314 0.6823 0.6969 1.0632 1.0716 2.0082 2.0142 2.8666 2.8702 4.9980 5.0299 5.0512 5.0644 5.2954 5.3151 5.3735 5.4025 5.6557 5.6708 6.5414 6.5491 6.9545 6.9562 7.1284 7.1334 7.1616 7.1906 7.2084 7.2120 8.0468 8.0917 8.4069 8.4652 8.8264 8.8704 9.1672 9.1929 9.6664 9.6933 9.9291 9.9435 10.0642 10.0735 10.2539 10.2553 10.6551 10.6606 11.0843 11.0953 k = 0.1463 0.1463 0.1463 ( 10080 PWs) bands (ev): -19.0230 -19.0230 -18.9670 -18.9670 -18.9500 -18.9500 -18.9386 -18.9386 -5.8306 -5.8263 -5.8112 -5.7952 -5.7879 -5.7704 -5.6044 -5.6044 -4.0934 -4.0787 -4.0679 -3.9907 -3.9384 -3.8652 -3.8623 -3.8092 -3.7762 -3.6994 -3.6987 -3.6659 -3.6460 -3.5558 -3.5352 -3.5168 -1.5121 -1.5120 -0.3528 -0.2976 -0.0305 0.0225 0.7479 0.7594 0.9933 1.0000 2.0162 2.0224 2.9345 2.9376 4.9451 4.9662 5.0291 5.0320 5.2904 5.3119 5.3736 5.4034 5.6796 5.6936 6.5151 6.5236 6.9599 6.9624 7.1387 7.1470 7.1712 7.2008 7.2066 7.2323 8.0218 8.0655 8.3648 8.4229 8.8441 8.8833 9.1760 9.2006 9.6922 9.7197 9.9371 9.9505 10.0171 10.0287 10.2053 10.2106 10.6017 10.6107 11.1417 11.1520 k = 0.1585 0.1585 0.1585 ( 10086 PWs) bands (ev): -19.0215 -19.0215 -18.9684 -18.9684 -18.9502 -18.9502 -18.9385 -18.9385 -5.8313 -5.8265 -5.8110 -5.7936 -5.7868 -5.7682 -5.6112 -5.6112 -4.0982 -4.0804 -4.0681 -3.9924 -3.9308 -3.8686 -3.8534 -3.8126 -3.7780 -3.7096 -3.7054 -3.6793 -3.6376 -3.5538 -3.5327 -3.5148 -1.4686 -1.4685 -0.3743 -0.3177 -0.0426 0.0135 0.8144 0.8195 0.9289 0.9304 2.0244 2.0307 2.9977 3.0005 4.8825 4.8978 5.0071 5.0094 5.2871 5.3104 5.3740 5.4044 5.7027 5.7154 6.4885 6.4979 6.9675 6.9709 7.1477 7.1488 7.1945 7.1999 7.2180 7.2600 7.9958 8.0386 8.3173 8.3748 8.8482 8.8813 9.1875 9.2116 9.7163 9.7430 9.9378 9.9503 9.9918 10.0052 10.1616 10.1703 10.5473 10.5596 11.2052 11.2145 k = 0.1707 0.1707 0.1707 ( 10098 PWs) bands (ev): -19.0198 -19.0198 -18.9698 -18.9698 -18.9505 -18.9505 -18.9384 -18.9384 -5.8317 -5.8266 -5.8108 -5.7920 -5.7859 -5.7662 -5.6183 -5.6182 -4.1027 -4.0817 -4.0679 -3.9953 -3.9239 -3.8707 -3.8465 -3.8159 -3.7809 -3.7172 -3.7154 -3.6891 -3.6300 -3.5516 -3.5298 -3.5129 -1.4234 -1.4233 -0.3938 -0.3361 -0.0545 0.0046 0.8376 0.8609 0.8837 0.9096 2.0328 2.0392 3.0558 3.0583 4.8132 4.8250 4.9872 4.9924 5.2857 5.3107 5.3749 5.4057 5.7249 5.7363 6.4632 6.4738 6.9760 6.9805 7.1469 7.1580 7.1893 7.2267 7.2352 7.2927 7.9686 8.0106 8.2660 8.3227 8.8383 8.8649 9.2006 9.2245 9.7374 9.7609 9.9350 9.9439 9.9875 10.0041 10.1234 10.1343 10.4927 10.5081 11.2706 11.2786 k = 0.1829 0.1829 0.1829 ( 10080 PWs) bands (ev): -19.0181 -19.0181 -18.9711 -18.9711 -18.9508 -18.9507 -18.9386 -18.9386 -5.8319 -5.8265 -5.8106 -5.7905 -5.7851 -5.7644 -5.6257 -5.6256 -4.1069 -4.0826 -4.0674 -3.9993 -3.9182 -3.8709 -3.8419 -3.8191 -3.7857 -3.7288 -3.7209 -3.6949 -3.6233 -3.5494 -3.5264 -3.5110 -1.3768 -1.3766 -0.4114 -0.3527 -0.0661 -0.0042 0.7829 0.7963 0.9509 0.9660 2.0414 2.0477 3.1084 3.1105 4.7390 4.7483 4.9714 4.9783 5.2864 5.3133 5.3764 5.4075 5.7460 5.7560 6.4402 6.4525 6.9841 6.9901 7.1463 7.1654 7.1857 7.2335 7.2747 7.3290 7.9398 7.9813 8.2123 8.2682 8.8158 8.8361 9.2146 9.2384 9.7560 9.7743 9.9291 9.9328 10.0015 10.0238 10.0920 10.1017 10.4386 10.4568 11.2931 11.2983 k = 0.1951 0.1951 0.1951 ( 10086 PWs) bands (ev): -19.0163 -19.0163 -18.9723 -18.9723 -18.9510 -18.9510 -18.9388 -18.9388 -5.8319 -5.8261 -5.8103 -5.7889 -5.7843 -5.7628 -5.6333 -5.6331 -4.1108 -4.0831 -4.0665 -4.0044 -3.9143 -3.8688 -3.8398 -3.8221 -3.7927 -3.7437 -3.7202 -3.6984 -3.6174 -3.5472 -3.5226 -3.5091 -1.3290 -1.3288 -0.4272 -0.3675 -0.0771 -0.0127 0.7218 0.7326 1.0199 1.0315 2.0500 2.0561 3.1550 3.1569 4.6609 4.6684 4.9595 4.9676 5.2895 5.3182 5.3785 5.4098 5.7660 5.7744 6.4205 6.4349 6.9909 6.9987 7.1459 7.1687 7.1854 7.2386 7.3172 7.3679 7.9091 7.9504 8.1580 8.2131 8.7826 8.7972 9.2289 9.2528 9.7737 9.7868 9.9194 9.9196 10.0183 10.0600 10.0713 10.0796 10.3856 10.4062 11.1565 11.1626 k = 0.2073 0.2073 0.2073 ( 10083 PWs) bands (ev): -19.0145 -19.0145 -18.9735 -18.9735 -18.9514 -18.9514 -18.9391 -18.9391 -5.8316 -5.8257 -5.8100 -5.7873 -5.7837 -5.7614 -5.6412 -5.6409 -4.1144 -4.0831 -4.0655 -4.0106 -3.9124 -3.8643 -3.8398 -3.8251 -3.8012 -3.7587 -3.7159 -3.7006 -3.6123 -3.5450 -3.5184 -3.5073 -1.2802 -1.2800 -0.4412 -0.3807 -0.0876 -0.0209 0.6616 0.6707 1.0895 1.0988 2.0588 2.0646 3.1953 3.1970 4.5795 4.5856 4.9513 4.9604 5.2952 5.3257 5.3814 5.4128 5.7846 5.7916 6.4047 6.4215 6.9955 7.0054 7.1456 7.1675 7.1884 7.2418 7.3615 7.4079 7.8763 7.9179 8.1048 8.1595 8.7413 8.7513 9.2434 9.2673 9.7924 9.8014 9.9057 9.9089 10.0058 10.0419 10.1079 10.1112 10.3341 10.3563 11.0134 11.0211 k = 0.2195 0.2195 0.2195 ( 10071 PWs) bands (ev): -19.0126 -19.0126 -18.9746 -18.9746 -18.9517 -18.9517 -18.9396 -18.9396 -5.8311 -5.8250 -5.8097 -5.7859 -5.7833 -5.7602 -5.6492 -5.6487 -4.1177 -4.0827 -4.0642 -4.0178 -3.9121 -3.8577 -3.8420 -3.8283 -3.8103 -3.7729 -3.7091 -3.7019 -3.6080 -3.5431 -3.5141 -3.5055 -1.2307 -1.2304 -0.4533 -0.3923 -0.0975 -0.0288 0.6031 0.6108 1.1595 1.1669 2.0677 2.0730 3.2291 3.2307 4.4955 4.5005 4.9472 4.9570 5.3037 5.3359 5.3852 5.4164 5.8018 5.8075 6.3933 6.4128 6.9975 7.0095 7.1451 7.1640 7.1919 7.2430 7.4055 7.4467 7.8414 7.8838 8.0552 8.1102 8.6944 8.7008 9.2581 9.2820 9.8130 9.8196 9.8935 9.8994 9.9798 10.0128 10.1623 10.1656 10.2857 10.3071 10.8674 10.8769 k = 0.2317 0.2317 0.2317 ( 10071 PWs) bands (ev): -19.0106 -19.0106 -18.9756 -18.9756 -18.9521 -18.9521 -18.9402 -18.9402 -5.8304 -5.8242 -5.8093 -5.7845 -5.7829 -5.7591 -5.6573 -5.6567 -4.1208 -4.0819 -4.0629 -4.0259 -3.9128 -3.8497 -3.8460 -3.8325 -3.8192 -3.7854 -3.7024 -3.7009 -3.6043 -3.5412 -3.5097 -3.5038 -1.1806 -1.1803 -0.4637 -0.4022 -0.1067 -0.0363 0.5465 0.5528 1.2297 1.2354 2.0768 2.0816 3.2563 3.2578 4.4094 4.4135 4.9473 4.9577 5.3150 5.3488 5.3899 5.4209 5.8175 5.8219 6.3864 6.4089 6.9965 7.0107 7.1444 7.1597 7.1943 7.2420 7.4455 7.4807 7.8043 7.8481 8.0131 8.0691 8.6438 8.6479 9.2732 9.2968 9.8355 9.8409 9.8840 9.8925 9.9516 9.9838 10.2025 10.2283 10.2581 10.2583 10.7210 10.7326 k = 0.2439 0.2439 0.2439 ( 10071 PWs) bands (ev): -19.0086 -19.0086 -18.9765 -18.9765 -18.9525 -18.9525 -18.9409 -18.9409 -5.8295 -5.8233 -5.8089 -5.7831 -5.7825 -5.7583 -5.6655 -5.6646 -4.1237 -4.0807 -4.0615 -4.0348 -3.9142 -3.8517 -3.8407 -3.8386 -3.8273 -3.7947 -3.7023 -3.6920 -3.6012 -3.5397 -3.5055 -3.5020 -1.1302 -1.1298 -0.4724 -0.4106 -0.1152 -0.0433 0.4918 0.4967 1.3001 1.3042 2.0861 2.0902 3.2768 3.2782 4.3216 4.3250 4.9517 4.9626 5.3291 5.3644 5.3957 5.4263 5.8316 5.8348 6.3842 6.4100 6.9923 7.0086 7.1434 7.1549 7.1949 7.2386 7.4760 7.5045 7.7652 7.8110 7.9842 8.0417 8.5913 8.5940 9.2887 9.3117 9.8596 9.8642 9.8777 9.8889 9.9240 9.9548 10.1718 10.2089 10.2953 10.3052 10.5767 10.5910 k = 0.2561 0.2561 0.2561 ( 10077 PWs) bands (ev): -19.0066 -19.0066 -18.9773 -18.9773 -18.9529 -18.9529 -18.9417 -18.9417 -5.8284 -5.8223 -5.8085 -5.7823 -5.7820 -5.7576 -5.6737 -5.6725 -4.1265 -4.0790 -4.0600 -4.0443 -3.9160 -3.8588 -3.8473 -3.8347 -3.8310 -3.8000 -3.7017 -3.6828 -3.5985 -3.5383 -3.5021 -3.4998 -1.0797 -1.0792 -0.4793 -0.4174 -0.1230 -0.0500 0.4391 0.4425 1.3704 1.3729 2.0959 2.0991 3.2906 3.2921 4.2326 4.2356 4.9607 4.9720 5.3460 5.3826 5.4026 5.4327 5.8441 5.8463 6.3866 6.4158 6.9850 7.0031 7.1420 7.1497 7.1932 7.2326 7.4900 7.5120 7.7245 7.7729 7.9752 8.0339 8.5379 8.5402 9.3046 9.3266 9.8745 9.8802 9.8846 9.8876 9.9071 9.9265 10.1232 10.1570 10.3640 10.3688 10.4396 10.4562 k = 0.2683 0.2683 0.2683 ( 10072 PWs) bands (ev): -19.0045 -19.0045 -18.9779 -18.9779 -18.9533 -18.9533 -18.9426 -18.9426 -5.8271 -5.8212 -5.8081 -5.7822 -5.7809 -5.7571 -5.6819 -5.6803 -4.1291 -4.0769 -4.0585 -4.0542 -3.9179 -3.8668 -3.8584 -3.8415 -3.8209 -3.8017 -3.7004 -3.6738 -3.5962 -3.5373 -3.5000 -3.4967 -1.0293 -1.0285 -0.4846 -0.4228 -0.1302 -0.0564 0.3883 0.3901 1.4405 1.4416 2.1061 2.1085 3.2979 3.2996 4.1426 4.1454 4.9743 4.9859 5.3655 5.4032 5.4106 5.4403 5.8550 5.8563 6.3935 6.4263 6.9747 6.9943 7.1403 7.1442 7.1891 7.2237 7.4828 7.4998 7.6825 7.7340 7.9905 8.0491 8.4842 8.4872 9.3205 9.3410 9.8597 9.8737 9.8935 9.8998 9.9096 9.9245 10.0688 10.0987 10.3059 10.3343 10.4321 10.4409 k = 0.2805 0.2805 0.2805 ( 10060 PWs) bands (ev): -19.0024 -19.0024 -18.9785 -18.9785 -18.9538 -18.9538 -18.9436 -18.9436 -5.8257 -5.8200 -5.8076 -5.7821 -5.7801 -5.7567 -5.6900 -5.6879 -4.1316 -4.0744 -4.0644 -4.0569 -3.9200 -3.8752 -3.8706 -3.8482 -3.8106 -3.8005 -3.6986 -3.6651 -3.5943 -3.5366 -3.4986 -3.4934 -0.9791 -0.9781 -0.4882 -0.4266 -0.1368 -0.0625 0.3395 0.3396 1.5100 1.5104 2.1171 2.1184 3.2990 3.3010 4.0522 4.0549 4.9927 5.0045 5.3874 5.4198 5.4258 5.4492 5.8643 5.8649 6.4046 6.4411 6.9617 6.9824 7.1385 7.1386 7.1823 7.2118 7.4555 7.4694 7.6399 7.6949 8.0280 8.0850 8.4309 8.4354 9.3352 9.3535 9.8338 9.8664 9.8835 9.9003 9.9336 9.9501 10.0047 10.0283 10.1963 10.2339 10.4973 10.5054 k = 0.2927 0.2927 0.2927 ( 10048 PWs) bands (ev): -19.0003 -19.0003 -18.9790 -18.9790 -18.9543 -18.9543 -18.9447 -18.9447 -5.8242 -5.8187 -5.8071 -5.7821 -5.7794 -5.7565 -5.6979 -5.6952 -4.1341 -4.0747 -4.0715 -4.0552 -3.9221 -3.8837 -3.8832 -3.8548 -3.7999 -3.7973 -3.6963 -3.6569 -3.5926 -3.5362 -3.4974 -3.4906 -0.9294 -0.9280 -0.4902 -0.4290 -0.1429 -0.0685 0.2909 0.2925 1.5781 1.5799 2.1289 2.1290 3.2941 3.2965 3.9616 3.9644 5.0159 5.0277 5.4116 5.4303 5.4492 5.4605 5.8720 5.8720 6.4197 6.4599 6.9464 6.9677 7.1332 7.1366 7.1723 7.1966 7.4135 7.4255 7.5975 7.6562 8.0812 8.1357 8.3780 8.3850 9.3468 9.3621 9.8089 9.8445 9.8853 9.9087 9.9271 9.9458 9.9564 9.9752 10.1124 10.1597 10.5572 10.5661 k = 0.3049 0.3049 0.3049 ( 10054 PWs) bands (ev): -18.9983 -18.9983 -18.9793 -18.9793 -18.9549 -18.9549 -18.9459 -18.9459 -5.8225 -5.8174 -5.8066 -5.7821 -5.7790 -5.7563 -5.7057 -5.7024 -4.1366 -4.0849 -4.0682 -4.0535 -3.9244 -3.8956 -3.8922 -3.8616 -3.7926 -3.7891 -3.6935 -3.6493 -3.5912 -3.5363 -3.4964 -3.4883 -0.8803 -0.8785 -0.4907 -0.4300 -0.1486 -0.0743 0.2439 0.2473 1.6458 1.6489 2.1407 2.1418 3.2837 3.2865 3.8712 3.8742 5.0438 5.0555 5.4378 5.4421 5.4667 5.4806 5.8778 5.8782 6.4382 6.4819 6.9290 6.9506 7.1284 7.1349 7.1587 7.1779 7.3623 7.3729 7.5561 7.6183 8.1424 8.1944 8.3256 8.3359 9.3514 9.3631 9.7859 9.8225 9.8465 9.8628 9.8911 9.9177 9.9760 9.9980 10.0521 10.1055 10.6086 10.6202 k = 0.3171 0.3171 0.3171 ( 10054 PWs) bands (ev): -18.9962 -18.9962 -18.9796 -18.9796 -18.9554 -18.9554 -18.9471 -18.9471 -5.8209 -5.8160 -5.8061 -5.7822 -5.7787 -5.7563 -5.7132 -5.7091 -4.1392 -4.0950 -4.0645 -4.0516 -3.9267 -3.9076 -3.9005 -3.8685 -3.7865 -3.7782 -3.6902 -3.6425 -3.5900 -3.5369 -3.4955 -3.4866 -0.8319 -0.8297 -0.4895 -0.4296 -0.1540 -0.0802 0.1986 0.2040 1.7129 1.7174 2.1536 2.1560 3.2679 3.2713 3.7812 3.7846 5.0763 5.0879 5.4552 5.4657 5.4800 5.5077 5.8824 5.8829 6.4596 6.5065 6.9101 6.9316 7.1245 7.1339 7.1414 7.1556 7.3058 7.3154 7.5166 7.5822 8.2041 8.2543 8.2738 8.2886 9.3444 9.3520 9.7655 9.7795 9.7960 9.8032 9.8965 9.9257 9.9927 10.0059 10.0177 10.0632 10.6419 10.6662 k = 0.3293 0.3293 0.3293 ( 10057 PWs) bands (ev): -18.9941 -18.9941 -18.9797 -18.9797 -18.9560 -18.9560 -18.9485 -18.9485 -5.8191 -5.8146 -5.8055 -5.7824 -5.7788 -5.7564 -5.7205 -5.7155 -4.1419 -4.1047 -4.0605 -4.0494 -3.9292 -3.9191 -3.9086 -3.8757 -3.7793 -3.7673 -3.6866 -3.6363 -3.5890 -3.5380 -3.4949 -3.4854 -0.7846 -0.7817 -0.4869 -0.4279 -0.1592 -0.0862 0.1549 0.1624 1.7794 1.7852 2.1679 2.1717 3.2474 3.2514 3.6919 3.6958 5.1134 5.1246 5.4696 5.4937 5.4950 5.5367 5.8856 5.8861 6.4833 6.5330 6.8901 6.9112 7.1181 7.1241 7.1296 7.1339 7.2466 7.2552 7.4800 7.5483 8.2225 8.2348 8.2669 8.3083 9.3238 9.3281 9.7394 9.7481 9.7555 9.7866 9.9011 9.9314 9.9677 10.0065 10.0283 10.0339 10.6261 10.6866 k = 0.3415 0.3415 0.3415 ( 10054 PWs) bands (ev): -18.9921 -18.9921 -18.9797 -18.9796 -18.9567 -18.9567 -18.9499 -18.9499 -5.8174 -5.8132 -5.8049 -5.7826 -5.7791 -5.7567 -5.7273 -5.7215 -4.1446 -4.1140 -4.0561 -4.0471 -3.9318 -3.9298 -3.9165 -3.8831 -3.7711 -3.7562 -3.6827 -3.6310 -3.5882 -3.5396 -3.4944 -3.4849 -0.7384 -0.7347 -0.4827 -0.4248 -0.1645 -0.0925 0.1129 0.1225 1.8453 1.8524 2.1840 2.1891 3.2223 3.2271 3.6036 3.6081 5.1547 5.1654 5.4853 5.5086 5.5254 5.5667 5.8876 5.8880 6.5084 6.5601 6.8695 6.8898 7.0927 7.1002 7.1238 7.1356 7.1865 7.1941 7.4472 7.5173 8.1715 8.1919 8.3050 8.3482 9.2970 9.2996 9.7281 9.7340 9.7403 9.7743 9.9038 9.9335 9.9347 9.9986 10.0177 10.0470 10.5938 10.6462 k = 0.3537 0.3537 0.3537 ( 10057 PWs) bands (ev): -18.9901 -18.9901 -18.9795 -18.9795 -18.9574 -18.9574 -18.9513 -18.9513 -5.8156 -5.8117 -5.8042 -5.7829 -5.7796 -5.7571 -5.7337 -5.7271 -4.1475 -4.1228 -4.0514 -4.0444 -3.9396 -3.9345 -3.9242 -3.8907 -3.7620 -3.7452 -3.6785 -3.6264 -3.5877 -3.5419 -3.4940 -3.4849 -0.6935 -0.6889 -0.4771 -0.4204 -0.1698 -0.0992 0.0724 0.0843 1.9105 1.9188 2.2020 2.2085 3.1932 3.1988 3.5165 3.5216 5.1999 5.2099 5.5024 5.5247 5.5565 5.5972 5.8883 5.8885 6.5341 6.5868 6.8488 6.8679 7.0621 7.0676 7.1265 7.1279 7.1332 7.1398 7.4188 7.4897 8.1209 8.1462 8.3235 8.3652 9.2790 9.2813 9.7233 9.7388 9.7409 9.7690 9.9040 9.9058 9.9311 9.9737 10.0274 10.0577 10.5674 10.6132 k = 0.3659 0.3659 0.3659 ( 10051 PWs) bands (ev): -18.9881 -18.9881 -18.9793 -18.9793 -18.9581 -18.9581 -18.9528 -18.9528 -5.8139 -5.8102 -5.8036 -5.7833 -5.7803 -5.7580 -5.7394 -5.7321 -4.1504 -4.1310 -4.0464 -4.0414 -3.9486 -3.9374 -3.9315 -3.8984 -3.7521 -3.7342 -3.6740 -3.6226 -3.5875 -3.5448 -3.4938 -3.4854 -0.6501 -0.6445 -0.4700 -0.4147 -0.1754 -0.1064 0.0335 0.0477 1.9751 1.9845 2.2222 2.2300 3.1604 3.1668 3.4308 3.4367 5.2486 5.2579 5.5207 5.5420 5.5880 5.6277 5.8875 5.8878 6.5595 6.6119 6.8285 6.8460 7.0276 7.0323 7.0676 7.0737 7.1365 7.1469 7.3952 7.4657 8.0704 8.1004 8.3133 8.3534 9.2826 9.2855 9.7162 9.7429 9.7635 9.7769 9.8804 9.9012 9.9241 9.9544 10.0366 10.0672 10.5487 10.5869 k = 0.3780 0.3780 0.3780 ( 10042 PWs) bands (ev): -18.9861 -18.9861 -18.9789 -18.9789 -18.9589 -18.9589 -18.9543 -18.9543 -5.8121 -5.8087 -5.8028 -5.7838 -5.7812 -5.7596 -5.7442 -5.7366 -4.1535 -4.1386 -4.0411 -4.0380 -3.9566 -3.9405 -3.9385 -3.9063 -3.7416 -3.7232 -3.6693 -3.6196 -3.5876 -3.5485 -3.4938 -3.4863 -0.6084 -0.6015 -0.4614 -0.4078 -0.1815 -0.1143 -0.0039 0.0128 2.0389 2.0494 2.2448 2.2539 3.1243 3.1315 3.3468 3.3535 5.3002 5.3086 5.5402 5.5604 5.6194 5.6579 5.8852 5.8860 6.5836 6.6340 6.8090 6.8245 6.9901 6.9949 7.0106 7.0162 7.1506 7.1580 7.3763 7.4457 8.0201 8.0544 8.2744 8.3131 9.3120 9.3157 9.7126 9.7423 9.7948 9.7958 9.8595 9.8953 9.9128 9.9427 10.0466 10.0766 10.5365 10.5663 k = 0.3902 0.3902 0.3902 ( 10039 PWs) bands (ev): -18.9842 -18.9842 -18.9784 -18.9784 -18.9597 -18.9597 -18.9559 -18.9559 -5.8104 -5.8072 -5.8021 -5.7844 -5.7822 -5.7620 -5.7477 -5.7406 -4.1565 -4.1456 -4.0357 -4.0343 -3.9636 -3.9452 -3.9438 -3.9142 -3.7306 -3.7123 -3.6646 -3.6173 -3.5882 -3.5529 -3.4939 -3.4876 -0.5683 -0.5601 -0.4514 -0.3996 -0.1882 -0.1230 -0.0398 -0.0206 2.1021 2.1135 2.2701 2.2803 3.0851 3.0931 3.2646 3.2722 5.3541 5.3616 5.5608 5.5800 5.6502 5.6872 5.8813 5.8828 6.6057 6.6524 6.7907 6.8038 6.9506 6.9551 6.9561 6.9625 7.1708 7.1735 7.3623 7.4300 7.9699 8.0082 8.2124 8.2501 9.3629 9.3674 9.7125 9.7428 9.8119 9.8209 9.8548 9.8864 9.8982 9.9431 10.0585 10.0873 10.5291 10.5498 k = 0.4024 0.4024 0.4024 ( 10051 PWs) bands (ev): -18.9824 -18.9824 -18.9778 -18.9778 -18.9606 -18.9606 -18.9574 -18.9574 -5.8088 -5.8057 -5.8013 -5.7851 -5.7834 -5.7655 -5.7499 -5.7440 -4.1596 -4.1518 -4.0301 -4.0301 -3.9697 -3.9515 -3.9473 -3.9222 -3.7192 -3.7015 -3.6597 -3.6157 -3.5893 -3.5580 -3.4941 -3.4891 -0.5302 -0.5205 -0.4401 -0.3902 -0.1956 -0.1325 -0.0742 -0.0525 2.1646 2.1768 2.2981 2.3095 3.0432 3.0521 3.1846 3.1930 5.4095 5.4160 5.5824 5.6005 5.6800 5.7150 5.8757 5.8781 6.6252 6.6663 6.7739 6.7841 6.9048 6.9081 6.9102 6.9189 7.1940 7.1974 7.3532 7.4189 7.9197 7.9614 8.1353 8.1725 9.4275 9.4329 9.7156 9.7454 9.8131 9.8212 9.8756 9.8814 9.8902 9.9588 10.0734 10.1003 10.5240 10.5360 k = 0.4146 0.4146 0.4146 ( 10036 PWs) bands (ev): -18.9806 -18.9806 -18.9771 -18.9771 -18.9615 -18.9615 -18.9590 -18.9590 -5.8071 -5.8041 -5.8005 -5.7858 -5.7846 -5.7694 -5.7513 -5.7469 -4.1625 -4.1572 -4.0256 -4.0243 -3.9747 -3.9573 -3.9510 -3.9302 -3.7074 -3.6908 -3.6549 -3.6148 -3.5911 -3.5639 -3.4944 -3.4907 -0.4940 -0.4827 -0.4273 -0.3797 -0.2039 -0.1432 -0.1072 -0.0828 2.2263 2.2393 2.3292 2.3415 2.9989 3.0086 3.1068 3.1161 5.4654 5.4711 5.6049 5.6218 5.7079 5.7406 5.8685 5.8718 6.6417 6.6758 6.7589 6.7657 6.8572 6.8609 6.8702 6.8799 7.2196 7.2301 7.3492 7.4129 7.8696 7.9141 8.0500 8.0871 9.4979 9.5042 9.7216 9.7501 9.7999 9.8226 9.8637 9.8641 9.9377 9.9885 10.0920 10.1165 10.5190 10.5230 k = 0.4268 0.4268 0.4268 ( 10021 PWs) bands (ev): -18.9788 -18.9788 -18.9763 -18.9763 -18.9625 -18.9625 -18.9606 -18.9606 -5.8055 -5.8026 -5.7996 -5.7867 -5.7860 -5.7735 -5.7522 -5.7492 -4.1653 -4.1620 -4.0207 -4.0185 -3.9787 -3.9628 -3.9550 -3.9382 -3.6955 -3.6804 -3.6501 -3.6146 -3.5935 -3.5706 -3.4949 -3.4922 -0.4599 -0.4470 -0.4132 -0.3681 -0.2132 -0.1549 -0.1389 -0.1116 2.2874 2.3010 2.3633 2.3765 2.9524 2.9629 3.0314 3.0416 5.5208 5.5256 5.6279 5.6438 5.7331 5.7632 5.8595 5.8637 6.6551 6.6812 6.7460 6.7488 6.8142 6.8182 6.8316 6.8426 7.2500 7.2684 7.3505 7.4125 7.8195 7.8660 7.9617 7.9990 9.5670 9.5747 9.7297 9.7561 9.7883 9.8202 9.8459 9.8529 9.9901 10.0280 10.1146 10.1365 10.5091 10.5120 k = 0.4390 0.4390 0.4390 ( 10027 PWs) bands (ev): -18.9771 -18.9771 -18.9754 -18.9754 -18.9635 -18.9635 -18.9622 -18.9622 -5.8038 -5.8010 -5.7987 -5.7876 -5.7873 -5.7775 -5.7529 -5.7511 -4.1679 -4.1659 -4.0154 -4.0126 -3.9818 -3.9677 -3.9592 -3.9462 -3.6834 -3.6702 -3.6454 -3.6150 -3.5967 -3.5780 -3.4953 -3.4937 -0.4278 -0.4134 -0.3977 -0.3555 -0.2238 -0.1691 -0.1677 -0.1388 2.3478 2.3619 2.4007 2.4146 2.9040 2.9152 2.9587 2.9696 5.5743 5.5786 5.6514 5.6662 5.7546 5.7817 5.8486 5.8539 6.6658 6.6833 6.7334 6.7351 6.7768 6.7809 6.7956 6.8076 7.2848 7.3112 7.3576 7.4182 7.7695 7.8172 7.8744 7.9118 9.6293 9.6385 9.7395 9.7625 9.7791 9.8177 9.8289 9.8425 10.0470 10.0740 10.1415 10.1608 10.4929 10.5011 k = 0.4512 0.4512 0.4512 ( 10039 PWs) bands (ev): -18.9755 -18.9755 -18.9744 -18.9744 -18.9646 -18.9646 -18.9637 -18.9637 -5.8021 -5.7995 -5.7978 -5.7887 -5.7886 -5.7813 -5.7534 -5.7524 -4.1701 -4.1691 -4.0097 -4.0067 -3.9839 -3.9722 -3.9637 -3.9540 -3.6714 -3.6603 -3.6408 -3.6160 -3.6008 -3.5862 -3.4958 -3.4949 -0.3979 -0.3823 -0.3808 -0.3421 -0.2356 -0.1980 -0.1817 -0.1643 2.4074 2.4219 2.4414 2.4558 2.8539 2.8657 2.8888 2.9004 5.6247 5.6287 5.6751 5.6887 5.7713 5.7952 5.8357 5.8422 6.6741 6.6831 6.7193 6.7260 6.7462 6.7498 6.7636 6.7758 7.3232 7.3576 7.3710 7.4307 7.7199 7.7674 7.7909 7.8283 9.6810 9.6913 9.7498 9.7680 9.7725 9.8133 9.8171 9.8339 10.1075 10.1249 10.1728 10.1896 10.4728 10.4849 k = 0.4634 0.4634 0.4634 ( 10039 PWs) bands (ev): -18.9739 -18.9739 -18.9733 -18.9733 -18.9657 -18.9657 -18.9652 -18.9652 -5.8002 -5.7980 -5.7968 -5.7900 -5.7898 -5.7848 -5.7538 -5.7534 -4.1720 -4.1716 -4.0037 -4.0008 -3.9852 -3.9760 -3.9684 -3.9618 -3.6595 -3.6508 -3.6365 -3.6176 -3.6057 -3.5950 -3.4963 -3.4959 -0.3702 -0.3626 -0.3539 -0.3282 -0.2490 -0.2255 -0.1965 -0.1877 2.4662 2.4811 2.4853 2.5003 2.8023 2.8146 2.8219 2.8340 5.6704 5.6745 5.6986 5.7111 5.7819 5.8023 5.8208 5.8286 6.6798 6.6815 6.7062 6.7185 6.7244 6.7259 6.7370 6.7483 7.3641 7.3909 7.4066 7.4508 7.6710 7.7132 7.7172 7.7503 9.7205 9.7303 9.7597 9.7685 9.7716 9.7996 9.8191 9.8280 10.1700 10.1789 10.2085 10.2229 10.4478 10.4618 k = 0.4756 0.4756 0.4756 ( 10030 PWs) bands (ev): -18.9724 -18.9724 -18.9721 -18.9721 -18.9670 -18.9669 -18.9667 -18.9667 -5.7982 -5.7965 -5.7958 -5.7912 -5.7910 -5.7881 -5.7542 -5.7541 -4.1734 -4.1733 -3.9974 -3.9951 -3.9855 -3.9793 -3.9734 -3.9693 -3.6477 -3.6417 -3.6324 -3.6197 -3.6114 -3.6045 -3.4967 -3.4966 -0.3446 -0.3431 -0.3290 -0.3147 -0.2641 -0.2517 -0.2115 -0.2084 2.5241 2.5326 2.5394 2.5479 2.7495 2.7581 2.7620 2.7706 5.7100 5.7146 5.7218 5.7328 5.7850 5.8023 5.8041 5.8133 6.6789 6.6807 6.6976 6.7097 6.7114 6.7120 6.7175 6.7262 7.4060 7.4172 7.4574 7.4790 7.6238 7.6445 7.6656 7.6792 9.7479 9.7549 9.7671 9.7678 9.7733 9.7881 9.8226 9.8256 10.2314 10.2337 10.2488 10.2604 10.4169 10.4302 k = 0.4878 0.4878 0.4878 ( 10048 PWs) bands (ev): -18.9709 -18.9709 -18.9709 -18.9709 -18.9682 -18.9682 -18.9682 -18.9681 -5.7961 -5.7951 -5.7948 -5.7925 -5.7923 -5.7910 -5.7544 -5.7544 -4.1743 -4.1743 -3.9908 -3.9894 -3.9851 -3.9819 -3.9785 -3.9767 -3.6363 -3.6332 -3.6286 -3.6222 -3.6179 -3.6146 -3.4970 -3.4969 -0.3223 -0.3213 -0.3095 -0.3035 -0.2811 -0.2766 -0.2247 -0.2242 2.5805 2.5826 2.5966 2.5988 2.6960 2.6981 2.7080 2.7102 5.7420 5.7442 5.7471 5.7531 5.7798 5.7856 5.7947 5.7970 6.6758 6.6763 6.6981 6.7018 6.7044 6.7053 6.7073 6.7105 7.4448 7.4470 7.5092 7.5158 7.5820 7.5886 7.6137 7.6160 9.7644 9.7673 9.7685 9.7725 9.7736 9.7790 9.8257 9.8261 10.2868 10.2869 10.2953 10.3016 10.3796 10.3855 k = 0.5000 0.5000 0.5000 ( 10048 PWs) bands (ev): -18.9695 -18.9695 -18.9695 -18.9695 -18.9695 -18.9695 -18.9695 -18.9695 -5.7937 -5.7937 -5.7937 -5.7937 -5.7937 -5.7937 -5.7545 -5.7545 -4.1746 -4.1746 -3.9839 -3.9839 -3.9839 -3.9839 -3.9839 -3.9839 -3.6252 -3.6252 -3.6252 -3.6252 -3.6252 -3.6252 -3.4971 -3.4971 -0.3001 -0.3001 -0.3001 -0.3001 -0.3001 -0.3001 -0.2306 -0.2306 2.6246 2.6246 2.6529 2.6529 2.6529 2.6529 2.6529 2.6529 5.7655 5.7655 5.7655 5.7655 5.7655 5.7655 5.7854 5.7854 6.6742 6.6742 6.7021 6.7021 6.7021 6.7021 6.7021 6.7021 7.4648 7.4648 7.5615 7.5615 7.5615 7.5615 7.5615 7.5615 9.7722 9.7722 9.7722 9.7722 9.7722 9.7722 9.8269 9.8269 10.3360 10.3360 10.3360 10.3360 10.3360 10.3360 k = 0.5000 0.5000 0.5000 ( 10048 PWs) bands (ev): -18.9695 -18.9695 -18.9695 -18.9695 -18.9695 -18.9695 -18.9695 -18.9695 -5.7937 -5.7937 -5.7937 -5.7937 -5.7937 -5.7937 -5.7545 -5.7545 -4.1746 -4.1746 -3.9839 -3.9839 -3.9839 -3.9839 -3.9839 -3.9839 -3.6252 -3.6252 -3.6252 -3.6252 -3.6252 -3.6252 -3.4971 -3.4971 -0.3001 -0.3001 -0.3001 -0.3001 -0.3001 -0.3001 -0.2306 -0.2306 2.6246 2.6246 2.6529 2.6529 2.6529 2.6529 2.6529 2.6529 5.7655 5.7655 5.7655 5.7655 5.7655 5.7655 5.7854 5.7854 6.6742 6.6742 6.7021 6.7021 6.7021 6.7021 6.7021 6.7021 7.4648 7.4648 7.5615 7.5615 7.5615 7.5615 7.5615 7.5615 9.7722 9.7722 9.7722 9.7722 9.7722 9.7722 9.8269 9.8269 10.3360 10.3360 10.3360 10.3360 10.3360 10.3360 k = 0.4853 0.5000 0.4853 ( 10048 PWs) bands (ev): -18.9709 -18.9709 -18.9709 -18.9709 -18.9682 -18.9682 -18.9682 -18.9682 -5.7957 -5.7957 -5.7937 -5.7937 -5.7914 -5.7914 -5.7544 -5.7544 -4.1743 -4.1743 -3.9901 -3.9901 -3.9836 -3.9836 -3.9775 -3.9775 -3.6349 -3.6349 -3.6255 -3.6255 -3.6160 -3.6160 -3.4970 -3.4970 -0.3215 -0.3215 -0.3065 -0.3065 -0.2789 -0.2789 -0.2246 -0.2246 2.5824 2.5824 2.5986 2.5986 2.6962 2.6962 2.7082 2.7082 5.7435 5.7435 5.7503 5.7503 5.7827 5.7827 5.7956 5.7956 6.6760 6.6760 6.6996 6.6996 6.7049 6.7049 6.7090 6.7090 7.4464 7.4464 7.5132 7.5132 7.5848 7.5848 7.6140 7.6140 9.7660 9.7660 9.7698 9.7698 9.7769 9.7769 9.8259 9.8259 10.2878 10.2878 10.2988 10.2988 10.3821 10.3821 k = 0.4706 0.5000 0.4706 ( 10032 PWs) bands (ev): -18.9722 -18.9722 -18.9722 -18.9722 -18.9669 -18.9669 -18.9669 -18.9669 -5.7977 -5.7977 -5.7938 -5.7938 -5.7890 -5.7890 -5.7541 -5.7541 -4.1734 -4.1734 -3.9961 -3.9961 -3.9829 -3.9829 -3.9710 -3.9710 -3.6451 -3.6451 -3.6263 -3.6263 -3.6072 -3.6072 -3.4966 -3.4966 -0.3433 -0.3433 -0.3216 -0.3216 -0.2581 -0.2581 -0.2105 -0.2105 2.5300 2.5300 2.5454 2.5454 2.7519 2.7519 2.7645 2.7645 5.7167 5.7167 5.7240 5.7240 5.7949 5.7949 5.8074 5.8074 6.6806 6.6806 6.7004 6.7004 6.7138 6.7138 6.7213 6.7213 7.4128 7.4128 7.4693 7.4693 7.6327 7.6327 7.6704 7.6704 9.7552 9.7552 9.7632 9.7632 9.7821 9.7821 9.8238 9.8238 10.2375 10.2375 10.2515 10.2515 10.4262 10.4262 k = 0.4559 0.5000 0.4559 ( 10034 PWs) bands (ev): -18.9735 -18.9735 -18.9735 -18.9735 -18.9655 -18.9655 -18.9655 -18.9655 -5.7995 -5.7995 -5.7940 -5.7940 -5.7865 -5.7865 -5.7537 -5.7537 -4.1718 -4.1718 -4.0020 -4.0020 -3.9818 -3.9818 -3.9644 -3.9644 -3.6556 -3.6556 -3.6277 -3.6277 -3.5990 -3.5990 -3.4961 -3.4961 -0.3654 -0.3654 -0.3408 -0.3408 -0.2374 -0.2374 -0.1931 -0.1931 2.4783 2.4783 2.4933 2.4933 2.8091 2.8091 2.8215 2.8215 5.6857 5.6857 5.6927 5.6927 5.8024 5.8024 5.8151 5.8151 6.6857 6.6857 6.7038 6.7038 6.7300 6.7300 6.7396 6.7396 7.3794 7.3794 7.4301 7.4301 7.6897 7.6897 7.7303 7.7303 9.7377 9.7377 9.7512 9.7512 9.7886 9.7886 9.8226 9.8226 10.1858 10.1858 10.2048 10.2048 10.4683 10.4683 k = 0.4412 0.5000 0.4412 ( 10030 PWs) bands (ev): -18.9749 -18.9749 -18.9749 -18.9749 -18.9642 -18.9642 -18.9642 -18.9642 -5.8011 -5.8011 -5.7942 -5.7942 -5.7837 -5.7837 -5.7530 -5.7530 -4.1697 -4.1697 -4.0076 -4.0076 -3.9801 -3.9801 -3.9576 -3.9576 -3.6663 -3.6663 -3.6295 -3.6295 -3.5915 -3.5915 -3.4954 -3.4954 -0.3880 -0.3880 -0.3620 -0.3620 -0.2168 -0.2168 -0.1744 -0.1744 2.4278 2.4278 2.4425 2.4425 2.8672 2.8672 2.8792 2.8792 5.6509 5.6509 5.6578 5.6578 5.8056 5.8056 5.8184 5.8184 6.6906 6.6906 6.7092 6.7092 6.7536 6.7536 6.7638 6.7638 7.3495 7.3495 7.3958 7.3958 7.7518 7.7518 7.7931 7.7931 9.7130 9.7130 9.7322 9.7322 9.7968 9.7968 9.8238 9.8238 10.1344 10.1344 10.1600 10.1600 10.5083 10.5083 k = 0.4265 0.5000 0.4265 ( 10046 PWs) bands (ev): -18.9762 -18.9762 -18.9762 -18.9762 -18.9629 -18.9629 -18.9629 -18.9629 -5.8027 -5.8027 -5.7945 -5.7945 -5.7809 -5.7809 -5.7522 -5.7522 -4.1671 -4.1671 -4.0130 -4.0130 -3.9780 -3.9780 -3.9508 -3.9508 -3.6773 -3.6773 -3.6318 -3.6318 -3.5847 -3.5847 -3.4946 -3.4946 -0.4110 -0.4110 -0.3844 -0.3844 -0.1963 -0.1963 -0.1551 -0.1551 2.3787 2.3787 2.3930 2.3930 2.9259 2.9259 2.9373 2.9373 5.6129 5.6129 5.6201 5.6201 5.8048 5.8048 5.8177 5.8177 6.6955 6.6955 6.7160 6.7160 6.7835 6.7835 6.7933 6.7933 7.3241 7.3241 7.3666 7.3666 7.8172 7.8172 7.8581 7.8581 9.6814 9.6814 9.7052 9.7052 9.8066 9.8066 9.8277 9.8277 10.0853 10.0853 10.1181 10.1181 10.5461 10.5461 k = 0.4118 0.5000 0.4118 ( 10036 PWs) bands (ev): -18.9775 -18.9775 -18.9775 -18.9775 -18.9616 -18.9616 -18.9616 -18.9616 -5.8041 -5.8041 -5.7949 -5.7949 -5.7778 -5.7778 -5.7511 -5.7511 -4.1639 -4.1639 -4.0183 -4.0183 -3.9754 -3.9754 -3.9439 -3.9439 -3.6884 -3.6884 -3.6345 -3.6345 -3.5786 -3.5786 -3.4936 -3.4936 -0.4345 -0.4345 -0.4078 -0.4078 -0.1757 -0.1757 -0.1354 -0.1354 2.3309 2.3309 2.3448 2.3448 2.9850 2.9850 2.9958 2.9958 5.5724 5.5724 5.5805 5.5805 5.8008 5.8008 5.8135 5.8135 6.7007 6.7007 6.7236 6.7236 6.8184 6.8184 6.8274 6.8274 7.3036 7.3036 7.3426 7.3426 7.8846 7.8846 7.9243 7.9243 9.6434 9.6434 9.6708 9.6708 9.8176 9.8176 9.8333 9.8333 10.0410 10.0410 10.0803 10.0803 10.5815 10.5815 k = 0.3971 0.5000 0.3971 ( 10050 PWs) bands (ev): -18.9788 -18.9788 -18.9788 -18.9788 -18.9603 -18.9603 -18.9603 -18.9603 -5.8055 -5.8055 -5.7954 -5.7954 -5.7747 -5.7747 -5.7498 -5.7498 -4.1602 -4.1602 -4.0232 -4.0232 -3.9724 -3.9724 -3.9369 -3.9369 -3.6996 -3.6996 -3.6375 -3.6375 -3.5733 -3.5733 -3.4925 -3.4925 -0.4584 -0.4584 -0.4318 -0.4318 -0.1551 -0.1551 -0.1155 -0.1155 2.2846 2.2846 2.2979 2.2979 3.0443 3.0443 3.0545 3.0545 5.5303 5.5303 5.5396 5.5396 5.7938 5.7938 5.8062 5.8062 6.7062 6.7062 6.7316 6.7316 6.8572 6.8572 6.8653 6.8653 7.2881 7.2881 7.3242 7.3242 7.9524 7.9524 7.9906 7.9906 9.6004 9.6004 9.6300 9.6300 9.8291 9.8291 9.8393 9.8393 10.0040 10.0040 10.0482 10.0482 10.6144 10.6144 k = 0.3824 0.5000 0.3824 ( 10038 PWs) bands (ev): -18.9800 -18.9800 -18.9800 -18.9800 -18.9591 -18.9591 -18.9591 -18.9591 -5.8068 -5.8068 -5.7960 -5.7960 -5.7714 -5.7714 -5.7483 -5.7483 -4.1561 -4.1561 -4.0279 -4.0279 -3.9688 -3.9688 -3.9299 -3.9299 -3.7109 -3.7109 -3.6408 -3.6408 -3.5688 -3.5688 -3.4914 -3.4914 -0.4828 -0.4828 -0.4565 -0.4565 -0.1343 -0.1343 -0.0954 -0.0954 2.2396 2.2396 2.2522 2.2522 3.1036 3.1036 3.1133 3.1133 5.4874 5.4874 5.4982 5.4982 5.7845 5.7845 5.7964 5.7964 6.7118 6.7118 6.7396 6.7396 6.8989 6.8989 6.9062 6.9062 7.2780 7.2780 7.3116 7.3116 8.0190 8.0190 8.0555 8.0555 9.5544 9.5544 9.5845 9.5845 9.8387 9.8387 9.8439 9.8439 9.9777 9.9777 10.0234 10.0234 10.6446 10.6446 k = 0.3676 0.5000 0.3676 ( 10050 PWs) bands (ev): -18.9813 -18.9813 -18.9813 -18.9813 -18.9578 -18.9578 -18.9578 -18.9578 -5.8081 -5.8081 -5.7966 -5.7966 -5.7680 -5.7680 -5.7465 -5.7465 -4.1516 -4.1516 -4.0323 -4.0323 -3.9648 -3.9648 -3.9230 -3.9230 -3.7220 -3.7220 -3.6443 -3.6443 -3.5653 -3.5653 -3.4902 -3.4902 -0.5075 -0.5075 -0.4818 -0.4818 -0.1133 -0.1133 -0.0751 -0.0751 2.1958 2.1958 2.2076 2.2076 3.1628 3.1628 3.1719 3.1719 5.4443 5.4443 5.4570 5.4570 5.7732 5.7732 5.7845 5.7845 6.7173 6.7173 6.7470 6.7470 6.9424 6.9424 6.9490 6.9490 7.2735 7.2735 7.3051 7.3051 8.0823 8.0823 8.1171 8.1171 9.5076 9.5076 9.5370 9.5370 9.8392 9.8392 9.8488 9.8488 9.9659 9.9659 10.0087 10.0087 10.6721 10.6721 k = 0.3529 0.5000 0.3529 ( 10040 PWs) bands (ev): -18.9825 -18.9825 -18.9825 -18.9825 -18.9566 -18.9566 -18.9566 -18.9566 -5.8093 -5.8093 -5.7974 -5.7974 -5.7645 -5.7645 -5.7444 -5.7444 -4.1468 -4.1468 -4.0363 -4.0363 -3.9603 -3.9603 -3.9162 -3.9162 -3.7330 -3.7330 -3.6480 -3.6480 -3.5626 -3.5626 -3.4890 -3.4890 -0.5326 -0.5326 -0.5076 -0.5076 -0.0920 -0.0920 -0.0545 -0.0545 2.1533 2.1533 2.1642 2.1642 3.2216 3.2216 3.2303 3.2303 5.4019 5.4019 5.4167 5.4167 5.7604 5.7604 5.7708 5.7708 6.7224 6.7224 6.7536 6.7536 6.9867 6.9867 6.9928 6.9928 7.2752 7.2752 7.3048 7.3048 8.1397 8.1397 8.1731 8.1731 9.4631 9.4631 9.4906 9.4906 9.8315 9.8315 9.8506 9.8506 9.9696 9.9696 10.0064 10.0064 10.6967 10.6967 k = 0.3382 0.5000 0.3382 ( 10040 PWs) bands (ev): -18.9837 -18.9837 -18.9837 -18.9837 -18.9554 -18.9554 -18.9554 -18.9554 -5.8105 -5.8105 -5.7983 -5.7983 -5.7609 -5.7609 -5.7421 -5.7421 -4.1417 -4.1417 -4.0400 -4.0400 -3.9554 -3.9554 -3.9094 -3.9094 -3.7437 -3.7437 -3.6517 -3.6517 -3.5608 -3.5608 -3.4880 -3.4880 -0.5580 -0.5580 -0.5337 -0.5337 -0.0703 -0.0703 -0.0336 -0.0336 2.1118 2.1118 2.1217 2.1217 3.2799 3.2799 3.2883 3.2883 5.3607 5.3607 5.3777 5.3777 5.7463 5.7463 5.7559 5.7559 6.7269 6.7269 6.7590 6.7590 7.0305 7.0305 7.0366 7.0366 7.2837 7.2837 7.3112 7.3112 8.1884 8.1884 8.2208 8.2208 9.4239 9.4239 9.4488 9.4488 9.8210 9.8210 9.8476 9.8476 9.9858 9.9858 10.0167 10.0167 10.7185 10.7185 k = 0.3235 0.5000 0.3235 ( 10048 PWs) bands (ev): -18.9849 -18.9849 -18.9849 -18.9849 -18.9543 -18.9543 -18.9543 -18.9543 -5.8118 -5.8118 -5.7993 -5.7993 -5.7572 -5.7572 -5.7396 -5.7396 -4.1364 -4.1364 -4.0433 -4.0433 -3.9500 -3.9500 -3.9030 -3.9030 -3.7540 -3.7540 -3.6554 -3.6554 -3.5600 -3.5600 -3.4870 -3.4870 -0.5837 -0.5837 -0.5602 -0.5602 -0.0482 -0.0482 -0.0123 -0.0123 2.0713 2.0713 2.0801 2.0801 3.3373 3.3373 3.3457 3.3457 5.3214 5.3214 5.3408 5.3408 5.7313 5.7313 5.7399 5.7399 6.7307 6.7307 6.7630 6.7630 7.0722 7.0722 7.0791 7.0791 7.2997 7.2997 7.3243 7.3243 8.2253 8.2253 8.2573 8.2573 9.3929 9.3929 9.4149 9.4149 9.8122 9.8122 9.8430 9.8430 10.0106 10.0106 10.0376 10.0376 10.7374 10.7374 k = 0.3088 0.5000 0.3088 ( 10048 PWs) bands (ev): -18.9860 -18.9860 -18.9860 -18.9860 -18.9531 -18.9531 -18.9531 -18.9531 -5.8130 -5.8130 -5.8003 -5.8003 -5.7535 -5.7535 -5.7368 -5.7368 -4.1311 -4.1311 -4.0462 -4.0462 -3.9442 -3.9442 -3.8968 -3.8968 -3.7638 -3.7638 -3.6590 -3.6590 -3.5600 -3.5600 -3.4862 -3.4862 -0.6094 -0.6094 -0.5868 -0.5868 -0.0257 -0.0257 0.0093 0.0093 2.0315 2.0315 2.0393 2.0393 3.3938 3.3938 3.4024 3.4024 5.2845 5.2845 5.3063 5.3063 5.7154 5.7154 5.7231 5.7231 6.7339 6.7339 6.7658 6.7658 7.1103 7.1103 7.1190 7.1190 7.3236 7.3236 7.3446 7.3446 8.2477 8.2477 8.2802 8.2802 9.3722 9.3722 9.3916 9.3916 9.8084 9.8084 9.8407 9.8407 10.0416 10.0416 10.0665 10.0665 10.7532 10.7532 k = 0.2941 0.5000 0.2941 ( 10054 PWs) bands (ev): -18.9871 -18.9871 -18.9871 -18.9871 -18.9520 -18.9520 -18.9520 -18.9520 -5.8142 -5.8142 -5.8015 -5.8015 -5.7497 -5.7497 -5.7339 -5.7339 -4.1258 -4.1258 -4.0485 -4.0485 -3.9380 -3.9380 -3.8912 -3.8912 -3.7728 -3.7728 -3.6625 -3.6625 -3.5609 -3.5609 -3.4857 -3.4857 -0.6352 -0.6352 -0.6136 -0.6136 -0.0026 -0.0026 0.0314 0.0314 1.9922 1.9922 1.9991 1.9991 3.4492 3.4492 3.4582 3.4582 5.2505 5.2505 5.2749 5.2749 5.6989 5.6989 5.7058 5.7058 6.7365 6.7365 6.7676 6.7676 7.1438 7.1438 7.1552 7.1552 7.3551 7.3551 7.3720 7.3720 8.2543 8.2543 8.2878 8.2878 9.3625 9.3625 9.3798 9.3798 9.8119 9.8119 9.8442 9.8442 10.0775 10.0775 10.1019 10.1019 10.7659 10.7659 k = 0.2794 0.5000 0.2794 ( 10064 PWs) bands (ev): -18.9882 -18.9882 -18.9882 -18.9882 -18.9510 -18.9510 -18.9510 -18.9510 -5.8155 -5.8155 -5.8028 -5.8028 -5.7459 -5.7459 -5.7307 -5.7307 -4.1207 -4.1207 -4.0503 -4.0503 -3.9314 -3.9314 -3.8862 -3.8862 -3.7809 -3.7809 -3.6658 -3.6658 -3.5626 -3.5626 -3.4854 -3.4854 -0.6609 -0.6609 -0.6403 -0.6403 0.0211 0.0211 0.0539 0.0539 1.9534 1.9534 1.9594 1.9594 3.5033 3.5033 3.5129 3.5129 5.2197 5.2197 5.2468 5.2468 5.6820 5.6820 5.6880 5.6880 6.7386 6.7386 6.7686 6.7686 7.1726 7.1726 7.1867 7.1867 7.3929 7.3929 7.4056 7.4056 8.2457 8.2457 8.2803 8.2803 9.3624 9.3624 9.3788 9.3788 9.8248 9.8248 9.8564 9.8564 10.1176 10.1176 10.1424 10.1424 10.7754 10.7754 k = 0.2647 0.5000 0.2647 ( 10064 PWs) bands (ev): -18.9892 -18.9892 -18.9892 -18.9892 -18.9499 -18.9499 -18.9499 -18.9499 -5.8168 -5.8168 -5.8041 -5.8041 -5.7420 -5.7420 -5.7275 -5.7275 -4.1158 -4.1158 -4.0514 -4.0514 -3.9245 -3.9245 -3.8822 -3.8822 -3.7878 -3.7878 -3.6689 -3.6689 -3.5651 -3.5651 -3.4855 -3.4855 -0.6863 -0.6863 -0.6668 -0.6668 0.0454 0.0454 0.0770 0.0770 1.9147 1.9147 1.9203 1.9203 3.5559 3.5559 3.5664 3.5664 5.1925 5.1925 5.2223 5.2223 5.6646 5.6646 5.6701 5.6701 6.7407 6.7407 6.7693 6.7693 7.1970 7.1970 7.2135 7.2135 7.4349 7.4349 7.4439 7.4439 8.2243 8.2243 8.2598 8.2598 9.3691 9.3691 9.3859 9.3859 9.8486 9.8486 9.8796 9.8796 10.1613 10.1613 10.1873 10.1873 10.7821 10.7821 k = 0.2500 0.5000 0.2500 ( 10096 PWs) bands (ev): -18.9902 -18.9902 -18.9902 -18.9902 -18.9490 -18.9490 -18.9490 -18.9490 -5.8181 -5.8181 -5.8055 -5.8055 -5.7381 -5.7381 -5.7241 -5.7241 -4.1113 -4.1113 -4.0519 -4.0519 -3.9174 -3.9174 -3.8793 -3.8793 -3.7932 -3.7932 -3.6716 -3.6716 -3.5684 -3.5684 -3.4861 -3.4861 -0.7115 -0.7115 -0.6931 -0.6931 0.0702 0.0702 0.1005 0.1005 1.8760 1.8760 1.8816 1.8816 3.6069 3.6069 3.6185 3.6185 5.1691 5.1691 5.2017 5.2017 5.6470 5.6470 5.6520 5.6520 6.7430 6.7430 6.7701 6.7701 7.2175 7.2175 7.2357 7.2357 7.4783 7.4783 7.4845 7.4845 8.1940 8.1940 8.2300 8.2300 9.3796 9.3796 9.3975 9.3975 9.8840 9.8840 9.9149 9.9149 10.2078 10.2078 10.2353 10.2353 10.7868 10.7868 k = 0.2353 0.5000 0.2353 ( 10076 PWs) bands (ev): -18.9912 -18.9912 -18.9912 -18.9912 -18.9480 -18.9480 -18.9480 -18.9480 -5.8194 -5.8194 -5.8069 -5.8069 -5.7342 -5.7342 -5.7207 -5.7207 -4.1074 -4.1074 -4.0516 -4.0516 -3.9101 -3.9101 -3.8776 -3.8776 -3.7969 -3.7969 -3.6738 -3.6738 -3.5723 -3.5723 -3.4871 -3.4871 -0.7361 -0.7361 -0.7189 -0.7189 0.0956 0.0956 0.1246 0.1246 1.8371 1.8371 1.8434 1.8434 3.6562 3.6562 3.6689 3.6689 5.1497 5.1497 5.1851 5.1851 5.6291 5.6291 5.6339 5.6339 6.7457 6.7457 6.7714 6.7714 7.2344 7.2344 7.2536 7.2536 7.5198 7.5198 7.5244 7.5244 8.1598 8.1598 8.1955 8.1955 9.3914 9.3914 9.4107 9.4107 9.9309 9.9309 9.9621 9.9621 10.2560 10.2560 10.2851 10.2851 10.7911 10.7911 k = 0.2206 0.5000 0.2206 ( 10076 PWs) bands (ev): -18.9921 -18.9921 -18.9921 -18.9921 -18.9471 -18.9471 -18.9471 -18.9471 -5.8207 -5.8207 -5.8084 -5.8084 -5.7303 -5.7303 -5.7174 -5.7174 -4.1041 -4.1041 -4.0507 -4.0507 -3.9028 -3.9028 -3.8771 -3.8771 -3.7989 -3.7989 -3.6756 -3.6756 -3.5768 -3.5768 -3.4885 -3.4885 -0.7602 -0.7602 -0.7440 -0.7440 0.1216 0.1216 0.1491 0.1491 1.7980 1.7980 1.8055 1.8055 3.7037 3.7037 3.7176 3.7176 5.1343 5.1343 5.1725 5.1725 5.6111 5.6111 5.6158 5.6158 6.7493 6.7493 6.7736 6.7736 7.2477 7.2477 7.2675 7.2675 7.5551 7.5551 7.5602 7.5602 8.1274 8.1274 8.1619 8.1619 9.4033 9.4033 9.4237 9.4237 9.9878 9.9878 10.0192 10.0192 10.3041 10.3041 10.3344 10.3344 10.7974 10.7974 k = 0.2059 0.5000 0.2059 ( 10068 PWs) bands (ev): -18.9929 -18.9929 -18.9929 -18.9929 -18.9463 -18.9463 -18.9463 -18.9463 -5.8220 -5.8220 -5.8099 -5.8099 -5.7264 -5.7264 -5.7140 -5.7140 -4.1013 -4.1013 -4.0491 -4.0491 -3.8959 -3.8959 -3.8773 -3.8773 -3.7993 -3.7993 -3.6768 -3.6768 -3.5818 -3.5818 -3.4905 -3.4905 -0.7834 -0.7834 -0.7685 -0.7685 0.1480 0.1480 0.1741 0.1741 1.7588 1.7588 1.7679 1.7679 3.7492 3.7492 3.7643 3.7643 5.1229 5.1229 5.1639 5.1639 5.5931 5.5931 5.5980 5.5980 6.7540 6.7540 6.7770 6.7770 7.2575 7.2575 7.2775 7.2775 7.5793 7.5793 7.5873 7.5873 8.1033 8.1033 8.1354 8.1354 9.4152 9.4152 9.4359 9.4359 10.0522 10.0522 10.0836 10.0836 10.3493 10.3493 10.3803 10.3803 10.8091 10.8091 k = 0.1912 0.5000 0.1912 ( 10076 PWs) bands (ev): -18.9937 -18.9937 -18.9937 -18.9937 -18.9455 -18.9455 -18.9455 -18.9455 -5.8232 -5.8232 -5.8114 -5.8114 -5.7226 -5.7226 -5.7107 -5.7107 -4.0991 -4.0991 -4.0472 -4.0472 -3.8904 -3.8904 -3.8769 -3.8769 -3.7985 -3.7985 -3.6774 -3.6774 -3.5872 -3.5872 -3.4931 -3.4931 -0.8058 -0.8058 -0.7920 -0.7920 0.1747 0.1747 0.1995 0.1995 1.7196 1.7196 1.7306 1.7306 3.7927 3.7927 3.8090 3.8090 5.1152 5.1152 5.1591 5.1591 5.5752 5.5752 5.5803 5.5803 6.7600 6.7600 6.7820 6.7820 7.2636 7.2636 7.2835 7.2835 7.5880 7.5880 7.6003 7.6003 8.0935 8.0935 8.1220 8.1220 9.4271 9.4271 9.4476 9.4476 10.1213 10.1213 10.1519 10.1519 10.3886 10.3886 10.4196 10.4196 10.8299 10.8299 k = 0.1765 0.5000 0.1765 ( 10076 PWs) bands (ev): -18.9945 -18.9945 -18.9945 -18.9945 -18.9447 -18.9447 -18.9447 -18.9447 -5.8245 -5.8245 -5.8128 -5.8128 -5.7188 -5.7188 -5.7076 -5.7076 -4.0973 -4.0973 -4.0450 -4.0450 -3.8881 -3.8881 -3.8737 -3.8737 -3.7969 -3.7969 -3.6775 -3.6775 -3.5928 -3.5928 -3.4962 -3.4962 -0.8271 -0.8271 -0.8145 -0.8145 0.2017 0.2017 0.2252 0.2252 1.6805 1.6805 1.6937 1.6937 3.8339 3.8339 3.8515 3.8515 5.1110 5.1110 5.1577 5.1577 5.5575 5.5575 5.5630 5.5630 6.7677 6.7677 6.7888 6.7888 7.2659 7.2659 7.2858 7.2858 7.5788 7.5788 7.5960 7.5960 8.1013 8.1013 8.1261 8.1261 9.4392 9.4392 9.4592 9.4592 10.1918 10.1918 10.2208 10.2208 10.4193 10.4193 10.4515 10.4515 10.8616 10.8616 k = 0.1618 0.5000 0.1618 ( 10068 PWs) bands (ev): -18.9952 -18.9952 -18.9952 -18.9952 -18.9440 -18.9440 -18.9440 -18.9440 -5.8257 -5.8257 -5.8143 -5.8143 -5.7152 -5.7152 -5.7046 -5.7046 -4.0958 -4.0958 -4.0430 -4.0430 -3.8883 -3.8883 -3.8681 -3.8681 -3.7946 -3.7946 -3.6772 -3.6772 -3.5984 -3.5984 -3.4999 -3.4999 -0.8472 -0.8472 -0.8358 -0.8358 0.2288 0.2288 0.2511 0.2511 1.6418 1.6418 1.6573 1.6573 3.8729 3.8729 3.8915 3.8915 5.1101 5.1101 5.1595 5.1595 5.5401 5.5401 5.5461 5.5461 6.7771 6.7771 6.7975 6.7975 7.2645 7.2645 7.2844 7.2844 7.5533 7.5533 7.5751 7.5751 8.1256 8.1256 8.1478 8.1478 9.4518 9.4518 9.4710 9.4710 10.2593 10.2593 10.2861 10.2861 10.4412 10.4412 10.4788 10.4788 10.9025 10.9025 k = 0.1471 0.5000 0.1471 ( 10070 PWs) bands (ev): -18.9959 -18.9959 -18.9958 -18.9958 -18.9434 -18.9434 -18.9434 -18.9434 -5.8269 -5.8269 -5.8156 -5.8156 -5.7116 -5.7116 -5.7017 -5.7017 -4.0944 -4.0944 -4.0413 -4.0413 -3.8892 -3.8892 -3.8618 -3.8618 -3.7920 -3.7920 -3.6767 -3.6767 -3.6037 -3.6037 -3.5041 -3.5041 -0.8660 -0.8660 -0.8557 -0.8557 0.2556 0.2556 0.2769 0.2769 1.6037 1.6037 1.6216 1.6216 3.9094 3.9094 3.9291 3.9291 5.1119 5.1119 5.1639 5.1639 5.5234 5.5234 5.5297 5.5297 6.7886 6.7886 6.8084 6.8084 7.2593 7.2593 7.2796 7.2796 7.5162 7.5162 7.5413 7.5413 8.1622 8.1622 8.1834 8.1834 9.4648 9.4648 9.4829 9.4829 10.3169 10.3169 10.3427 10.3427 10.4605 10.4605 10.5084 10.5084 10.9471 10.9471 k = 0.1324 0.5000 0.1324 ( 10086 PWs) bands (ev): -18.9964 -18.9964 -18.9964 -18.9964 -18.9428 -18.9428 -18.9428 -18.9428 -5.8280 -5.8280 -5.8170 -5.8170 -5.7083 -5.7083 -5.6991 -5.6991 -4.0932 -4.0932 -4.0400 -4.0400 -3.8897 -3.8897 -3.8558 -3.8558 -3.7889 -3.7889 -3.6765 -3.6765 -3.6081 -3.6081 -3.5089 -3.5089 -0.8834 -0.8834 -0.8742 -0.8742 0.2819 0.2819 0.3026 0.3026 1.5666 1.5666 1.5870 1.5870 3.9434 3.9434 3.9640 3.9640 5.1159 5.1159 5.1704 5.1704 5.5073 5.5073 5.5141 5.5141 6.8022 6.8022 6.8216 6.8216 7.2508 7.2508 7.2718 7.2718 7.4721 7.4721 7.4994 7.4994 8.2063 8.2063 8.2282 8.2282 9.4780 9.4780 9.4948 9.4948 10.3567 10.3567 10.3811 10.3811 10.4908 10.4908 10.5463 10.5463 10.9876 10.9876 k = 0.1176 0.5000 0.1176 ( 10078 PWs) bands (ev): -18.9970 -18.9970 -18.9970 -18.9970 -18.9422 -18.9422 -18.9422 -18.9422 -5.8290 -5.8290 -5.8182 -5.8182 -5.7052 -5.7052 -5.6968 -5.6968 -4.0919 -4.0919 -4.0393 -4.0393 -3.8896 -3.8896 -3.8504 -3.8504 -3.7853 -3.7853 -3.6772 -3.6772 -3.6112 -3.6112 -3.5142 -3.5142 -0.8993 -0.8993 -0.8912 -0.8912 0.3073 0.3073 0.3278 0.3278 1.5308 1.5308 1.5539 1.5539 3.9746 3.9746 3.9961 3.9961 5.1216 5.1216 5.1785 5.1785 5.4921 5.4921 5.4993 5.4993 6.8181 6.8181 6.8372 6.8372 7.2391 7.2391 7.2613 7.2613 7.4248 7.4248 7.4535 7.4535 8.2544 8.2544 8.2781 8.2781 9.4910 9.4910 9.5065 9.5065 10.3791 10.3791 10.3977 10.3977 10.5382 10.5382 10.5923 10.5923 11.0156 11.0156 k = 0.1029 0.5000 0.1029 ( 10076 PWs) bands (ev): -18.9975 -18.9975 -18.9975 -18.9975 -18.9418 -18.9418 -18.9418 -18.9418 -5.8300 -5.8300 -5.8193 -5.8193 -5.7023 -5.7023 -5.6947 -5.6947 -4.0906 -4.0906 -4.0392 -4.0392 -3.8889 -3.8889 -3.8461 -3.8461 -3.7811 -3.7811 -3.6793 -3.6793 -3.6124 -3.6124 -3.5200 -3.5200 -0.9134 -0.9134 -0.9064 -0.9064 0.3314 0.3314 0.3522 0.3522 1.4968 1.4968 1.5226 1.5226 4.0029 4.0029 4.0252 4.0252 5.1284 5.1284 5.1875 5.1875 5.4781 5.4781 5.4856 5.4856 6.8363 6.8363 6.8552 6.8552 7.2247 7.2247 7.2482 7.2482 7.3773 7.3773 7.4065 7.4065 8.3034 8.3034 8.3296 8.3296 9.5035 9.5035 9.5174 9.5174 10.3912 10.3912 10.4037 10.4037 10.5910 10.5910 10.6392 10.6392 11.0256 11.0256 k = 0.0882 0.5000 0.0882 ( 10084 PWs) bands (ev): -18.9979 -18.9979 -18.9979 -18.9979 -18.9414 -18.9414 -18.9414 -18.9414 -5.8308 -5.8308 -5.8203 -5.8203 -5.6996 -5.6996 -5.6929 -5.6929 -4.0894 -4.0894 -4.0396 -4.0396 -3.8875 -3.8875 -3.8428 -3.8428 -3.7760 -3.7760 -3.6831 -3.6831 -3.6114 -3.6114 -3.5262 -3.5262 -0.9259 -0.9259 -0.9199 -0.9199 0.3539 0.3539 0.3752 0.3752 1.4653 1.4653 1.4937 1.4937 4.0280 4.0280 4.0510 4.0510 5.1358 5.1358 5.1968 5.1968 5.4653 5.4653 5.4733 5.4733 6.8569 6.8569 6.8756 6.8756 7.2078 7.2078 7.2324 7.2324 7.3320 7.3320 7.3609 7.3609 8.3511 8.3511 8.3802 8.3802 9.5148 9.5148 9.5272 9.5272 10.3992 10.3992 10.4080 10.4080 10.6380 10.6380 10.6784 10.6784 11.0211 11.0211 k = 0.0735 0.5000 0.0735 ( 10074 PWs) bands (ev): -18.9982 -18.9982 -18.9982 -18.9982 -18.9410 -18.9410 -18.9410 -18.9410 -5.8315 -5.8315 -5.8212 -5.8212 -5.6973 -5.6973 -5.6914 -5.6914 -4.0881 -4.0881 -4.0404 -4.0404 -3.8856 -3.8856 -3.8407 -3.8407 -3.7701 -3.7701 -3.6886 -3.6886 -3.6084 -3.6084 -3.5329 -3.5329 -0.9364 -0.9364 -0.9315 -0.9315 0.3741 0.3741 0.3963 0.3963 1.4369 1.4369 1.4677 1.4677 4.0498 4.0498 4.0734 4.0734 5.1430 5.1430 5.2059 5.2059 5.4541 5.4541 5.4624 5.4624 6.8799 6.8799 6.8985 6.8985 7.1883 7.1883 7.2127 7.2127 7.2917 7.2917 7.3188 7.3188 8.3955 8.3955 8.4275 8.4275 9.5247 9.5247 9.5356 9.5356 10.4069 10.4069 10.4144 10.4144 10.6710 10.6710 10.7015 10.7015 11.0124 11.0124 k = 0.0588 0.5000 0.0588 ( 10070 PWs) bands (ev): -18.9985 -18.9985 -18.9985 -18.9985 -18.9407 -18.9407 -18.9407 -18.9407 -5.8322 -5.8322 -5.8219 -5.8219 -5.6952 -5.6952 -5.6903 -5.6903 -4.0868 -4.0868 -4.0414 -4.0414 -3.8834 -3.8834 -3.8395 -3.8395 -3.7633 -3.7633 -3.6955 -3.6955 -3.6038 -3.6038 -3.5397 -3.5397 -0.9451 -0.9451 -0.9412 -0.9412 0.3916 0.3916 0.4149 0.4149 1.4122 1.4122 1.4454 1.4454 4.0681 4.0681 4.0921 4.0921 5.1498 5.1498 5.2141 5.2141 5.4446 5.4446 5.4533 5.4533 6.9052 6.9052 6.9235 6.9235 7.1656 7.1656 7.1871 7.1871 7.2597 7.2597 7.2830 7.2830 8.4348 8.4348 8.4696 8.4696 9.5329 9.5329 9.5423 9.5423 10.4163 10.4163 10.4243 10.4243 10.6838 10.6838 10.7033 10.7033 11.0099 11.0099 k = 0.0441 0.5000 0.0441 ( 10062 PWs) bands (ev): -18.9987 -18.9987 -18.9987 -18.9987 -18.9405 -18.9405 -18.9405 -18.9405 -5.8326 -5.8326 -5.8225 -5.8225 -5.6936 -5.6936 -5.6894 -5.6894 -4.0857 -4.0857 -4.0425 -4.0425 -3.8813 -3.8813 -3.8391 -3.8391 -3.7557 -3.7557 -3.7033 -3.7033 -3.5982 -3.5982 -3.5467 -3.5467 -0.9518 -0.9518 -0.9489 -0.9489 0.4059 0.4059 0.4303 0.4303 1.3920 1.3920 1.4272 1.4272 4.0825 4.0825 4.1069 4.1069 5.1554 5.1554 5.2209 5.2209 5.4371 5.4371 5.4460 5.4460 6.9326 6.9326 6.9507 6.9507 7.1387 7.1387 7.1559 7.1559 7.2366 7.2366 7.2560 7.2560 8.4674 8.4674 8.5046 8.5046 9.5391 9.5391 9.5474 9.5474 10.4283 10.4283 10.4373 10.4373 10.6764 10.6764 10.6874 10.6874 11.0177 11.0177 k = 0.0294 0.5000 0.0294 ( 10078 PWs) bands (ev): -18.9989 -18.9989 -18.9989 -18.9989 -18.9403 -18.9403 -18.9403 -18.9403 -5.8330 -5.8330 -5.8229 -5.8229 -5.6923 -5.6923 -5.6889 -5.6889 -4.0848 -4.0848 -4.0435 -4.0435 -3.8795 -3.8795 -3.8391 -3.8391 -3.7477 -3.7477 -3.7117 -3.7117 -3.5923 -3.5923 -3.5535 -3.5535 -0.9565 -0.9565 -0.9546 -0.9546 0.4165 0.4165 0.4419 0.4419 1.3769 1.3769 1.4137 1.4137 4.0930 4.0930 4.1177 4.1177 5.1597 5.1597 5.2261 5.2261 5.4316 5.4316 5.4407 5.4407 6.9617 6.9617 6.9793 6.9793 7.1081 7.1081 7.1223 7.1223 7.2206 7.2206 7.2390 7.2390 8.4919 8.4919 8.5310 8.5310 9.5433 9.5433 9.5509 9.5509 10.4421 10.4421 10.4520 10.4520 10.6565 10.6565 10.6643 10.6643 11.0317 11.0317 k = 0.0147 0.5000 0.0147 ( 10070 PWs) bands (ev): -18.9990 -18.9990 -18.9990 -18.9990 -18.9402 -18.9402 -18.9402 -18.9402 -5.8332 -5.8332 -5.8231 -5.8231 -5.6914 -5.6914 -5.6886 -5.6886 -4.0842 -4.0842 -4.0442 -4.0442 -3.8782 -3.8782 -3.8393 -3.8393 -3.7394 -3.7394 -3.7202 -3.7202 -3.5869 -3.5869 -3.5592 -3.5592 -0.9592 -0.9592 -0.9582 -0.9582 0.4231 0.4231 0.4491 0.4491 1.3677 1.3677 1.4054 1.4054 4.0994 4.0994 4.1242 4.1242 5.1624 5.1624 5.2293 5.2293 5.4283 5.4283 5.4375 5.4375 6.9906 6.9906 7.0073 7.0073 7.0779 7.0779 7.0899 7.0899 7.2110 7.2110 7.2301 7.2301 8.5070 8.5070 8.5474 8.5474 9.5458 9.5458 9.5529 9.5529 10.4542 10.4542 10.4650 10.4650 10.6362 10.6362 10.6443 10.6443 11.0442 11.0442 k = 0.0000 0.5000-0.0000 ( 10090 PWs) bands (ev): -18.9990 -18.9990 -18.9990 -18.9990 -18.9402 -18.9402 -18.9402 -18.9402 -5.8333 -5.8333 -5.8232 -5.8232 -5.6912 -5.6912 -5.6885 -5.6885 -4.0840 -4.0840 -4.0444 -4.0444 -3.8778 -3.8778 -3.8394 -3.8394 -3.7335 -3.7335 -3.7262 -3.7262 -3.5845 -3.5845 -3.5618 -3.5618 -0.9597 -0.9597 -0.9597 -0.9597 0.4253 0.4253 0.4515 0.4515 1.3645 1.3645 1.4026 1.4026 4.1015 4.1015 4.1264 4.1264 5.1633 5.1633 5.2304 5.2304 5.4272 5.4272 5.4364 5.4364 7.0083 7.0083 7.0226 7.0226 7.0635 7.0635 7.0690 7.0690 7.2078 7.2078 7.2273 7.2273 8.5122 8.5122 8.5529 8.5529 9.5466 9.5466 9.5536 9.5536 10.4593 10.4593 10.4706 10.4706 10.6276 10.6276 10.6362 10.6362 11.0491 11.0491 k = 0.5000 0.5000-0.0000 ( 10068 PWs) bands (ev): -18.9900 -18.9900 -18.9900 -18.9900 -18.9491 -18.9491 -18.9491 -18.9491 -5.7970 -5.7970 -5.7970 -5.7970 -5.7460 -5.7460 -5.7460 -5.7460 -4.0627 -4.0627 -4.0627 -4.0627 -3.9206 -3.9206 -3.9206 -3.9206 -3.7623 -3.7623 -3.7623 -3.7623 -3.4946 -3.4946 -3.4946 -3.4946 -0.6181 -0.6181 -0.6181 -0.6181 -0.0727 -0.0727 -0.0727 -0.0727 2.0634 2.0634 2.0634 2.0634 3.5169 3.5169 3.5169 3.5169 5.1751 5.1751 5.1751 5.1751 5.3049 5.3049 5.3049 5.3049 7.3080 7.3080 7.3080 7.3080 7.3615 7.3615 7.3615 7.3615 7.6146 7.6146 7.6146 7.6146 8.0303 8.0303 8.0303 8.0303 9.3374 9.3374 9.3374 9.3374 9.8030 9.8030 9.8030 9.8030 9.8791 9.8791 9.8791 9.8791 10.6248 10.6248 k = 0.5000 0.5000 0.0208 ( 10092 PWs) bands (ev): -18.9900 -18.9900 -18.9900 -18.9900 -18.9492 -18.9492 -18.9492 -18.9492 -5.7977 -5.7977 -5.7964 -5.7964 -5.7466 -5.7466 -5.7454 -5.7454 -4.0667 -4.0667 -4.0592 -4.0592 -3.9277 -3.9277 -3.9132 -3.9132 -3.7693 -3.7693 -3.7550 -3.7550 -3.4965 -3.4965 -3.4929 -3.4929 -0.6184 -0.6184 -0.6166 -0.6166 -0.0741 -0.0741 -0.0711 -0.0711 2.0630 2.0630 2.0643 2.0643 3.5148 3.5148 3.5156 3.5156 5.1778 5.1778 5.1784 5.1784 5.3057 5.3057 5.3058 5.3058 7.3033 7.3033 7.3059 7.3059 7.3557 7.3557 7.3569 7.3569 7.6100 7.6100 7.6162 7.6162 8.0330 8.0330 8.0363 8.0363 9.3391 9.3391 9.3399 9.3399 9.8011 9.8011 9.8014 9.8014 9.8728 9.8728 9.8789 9.8789 10.6264 10.6289 k = 0.5000 0.5000 0.0417 ( 10092 PWs) bands (ev): -18.9899 -18.9899 -18.9899 -18.9899 -18.9493 -18.9493 -18.9493 -18.9493 -5.7985 -5.7985 -5.7959 -5.7959 -5.7474 -5.7474 -5.7450 -5.7450 -4.0713 -4.0713 -4.0562 -4.0562 -3.9342 -3.9342 -3.9055 -3.9055 -3.7758 -3.7758 -3.7476 -3.7476 -3.4988 -3.4988 -3.4914 -3.4914 -0.6173 -0.6173 -0.6136 -0.6136 -0.0754 -0.0754 -0.0695 -0.0695 2.0633 2.0633 2.0658 2.0658 3.5093 3.5093 3.5109 3.5109 5.1865 5.1865 5.1876 5.1876 5.3082 5.3082 5.3085 5.3085 7.2918 7.2918 7.2966 7.2966 7.3403 7.3403 7.3427 7.3427 7.6024 7.6024 7.6146 7.6146 8.0439 8.0439 8.0503 8.0503 9.3450 9.3450 9.3465 9.3465 9.7959 9.7959 9.7963 9.7963 9.8605 9.8605 9.8723 9.8723 10.6333 10.6333 k = 0.5000 0.5000 0.0625 ( 10084 PWs) bands (ev): -18.9896 -18.9896 -18.9896 -18.9896 -18.9495 -18.9495 -18.9495 -18.9495 -5.7993 -5.7993 -5.7955 -5.7955 -5.7484 -5.7484 -5.7447 -5.7447 -4.0763 -4.0763 -4.0535 -4.0535 -3.9402 -3.9402 -3.8979 -3.8979 -3.7818 -3.7818 -3.7401 -3.7401 -3.5013 -3.5013 -3.4902 -3.4902 -0.6148 -0.6148 -0.6093 -0.6093 -0.0767 -0.0767 -0.0679 -0.0679 2.0644 2.0644 2.0681 2.0681 3.5003 3.5003 3.5028 3.5028 5.2011 5.2011 5.2027 5.2027 5.3125 5.3125 5.3128 5.3128 7.2731 7.2731 7.2793 7.2793 7.3180 7.3180 7.3215 7.3215 7.5918 7.5918 7.6096 7.6096 8.0611 8.0611 8.0702 8.0702 9.3548 9.3548 9.3572 9.3572 9.7883 9.7883 9.7884 9.7884 9.8437 9.8437 9.8602 9.8602 10.6448 10.6448 k = 0.5000 0.5000 0.0833 ( 10096 PWs) bands (ev): -18.9893 -18.9893 -18.9893 -18.9893 -18.9498 -18.9498 -18.9498 -18.9498 -5.8002 -5.8002 -5.7951 -5.7951 -5.7495 -5.7495 -5.7445 -5.7445 -4.0819 -4.0819 -4.0512 -4.0512 -3.9455 -3.9455 -3.8907 -3.8907 -3.7869 -3.7869 -3.7325 -3.7325 -3.5040 -3.5040 -3.4892 -3.4892 -0.6109 -0.6109 -0.6037 -0.6037 -0.0780 -0.0780 -0.0664 -0.0664 2.0664 2.0664 2.0713 2.0713 3.4880 3.4880 3.4912 3.4912 5.2212 5.2212 5.2233 5.2233 5.3187 5.3187 5.3189 5.3189 7.2467 7.2467 7.2533 7.2533 7.2919 7.2919 7.2966 7.2966 7.5782 7.5782 7.6009 7.6009 8.0820 8.0820 8.0934 8.0934 9.3685 9.3685 9.3720 9.3720 9.7784 9.7784 9.7792 9.7792 9.8240 9.8240 9.8440 9.8440 10.6600 10.6600 k = 0.5000 0.5000 0.1042 ( 10104 PWs) bands (ev): -18.9890 -18.9890 -18.9889 -18.9889 -18.9502 -18.9502 -18.9502 -18.9502 -5.8011 -5.8011 -5.7949 -5.7949 -5.7507 -5.7507 -5.7444 -5.7444 -4.0879 -4.0879 -4.0491 -4.0491 -3.9503 -3.9503 -3.8845 -3.8845 -3.7905 -3.7905 -3.7249 -3.7249 -3.5071 -3.5071 -3.4884 -3.4884 -0.6057 -0.6057 -0.5967 -0.5967 -0.0795 -0.0795 -0.0651 -0.0651 2.0695 2.0695 2.0756 2.0756 3.4722 3.4722 3.4762 3.4762 5.2465 5.2465 5.2492 5.2492 5.3269 5.3269 5.3269 5.3269 7.2129 7.2129 7.2193 7.2193 7.2643 7.2643 7.2697 7.2697 7.5617 7.5617 7.5884 7.5884 8.1040 8.1040 8.1175 8.1175 9.3857 9.3857 9.3905 9.3905 9.7674 9.7674 9.7699 9.7699 9.8032 9.8032 9.8254 9.8254 10.6775 10.6775 k = 0.5000 0.5000 0.1250 ( 10056 PWs) bands (ev): -18.9885 -18.9885 -18.9885 -18.9885 -18.9507 -18.9507 -18.9507 -18.9507 -5.8019 -5.8019 -5.7947 -5.7947 -5.7521 -5.7521 -5.7444 -5.7444 -4.0942 -4.0942 -4.0472 -4.0472 -3.9545 -3.9545 -3.8798 -3.8798 -3.7923 -3.7923 -3.7173 -3.7173 -3.5104 -3.5104 -3.4879 -3.4879 -0.5992 -0.5992 -0.5885 -0.5885 -0.0814 -0.0814 -0.0643 -0.0643 2.0740 2.0740 2.0813 2.0813 3.4529 3.4529 3.4577 3.4577 5.2764 5.2764 5.2799 5.2799 5.3368 5.3368 5.3373 5.3373 7.1739 7.1739 7.1797 7.1797 7.2356 7.2356 7.2411 7.2411 7.5423 7.5423 7.5722 7.5722 8.1244 8.1244 8.1400 8.1400 9.4064 9.4064 9.4126 9.4126 9.7564 9.7564 9.7620 9.7620 9.7835 9.7835 9.8060 9.8060 10.6962 10.6962 k = 0.5000 0.5000 0.1458 ( 10048 PWs) bands (ev): -18.9879 -18.9879 -18.9879 -18.9879 -18.9512 -18.9512 -18.9512 -18.9512 -5.8028 -5.8028 -5.7947 -5.7947 -5.7536 -5.7536 -5.7445 -5.7445 -4.1007 -4.1007 -4.0454 -4.0454 -3.9582 -3.9582 -3.8774 -3.8774 -3.7915 -3.7915 -3.7098 -3.7098 -3.5140 -3.5140 -3.4875 -3.4875 -0.5913 -0.5913 -0.5789 -0.5789 -0.0837 -0.0837 -0.0640 -0.0640 2.0803 2.0803 2.0887 2.0887 3.4302 3.4302 3.4358 3.4358 5.3097 5.3097 5.3146 5.3146 5.3488 5.3488 5.3508 5.3508 7.1317 7.1317 7.1369 7.1369 7.2054 7.2054 7.2102 7.2102 7.5203 7.5203 7.5525 7.5525 8.1412 8.1412 8.1588 8.1588 9.4301 9.4301 9.4379 9.4379 9.7455 9.7455 9.7567 9.7567 9.7672 9.7672 9.7874 9.7874 10.7143 10.7143 k = 0.5000 0.5000 0.1667 ( 10056 PWs) bands (ev): -18.9873 -18.9873 -18.9873 -18.9873 -18.9519 -18.9519 -18.9519 -18.9519 -5.8036 -5.8036 -5.7946 -5.7946 -5.7553 -5.7553 -5.7448 -5.7448 -4.1074 -4.1074 -4.0436 -4.0436 -3.9616 -3.9616 -3.8775 -3.8775 -3.7881 -3.7881 -3.7023 -3.7023 -3.5179 -3.5179 -3.4874 -3.4874 -0.5821 -0.5821 -0.5681 -0.5681 -0.0867 -0.0867 -0.0645 -0.0645 2.0887 2.0887 2.0981 2.0981 3.4040 3.4040 3.4104 3.4104 5.3429 5.3429 5.3508 5.3508 5.3650 5.3650 5.3702 5.3702 7.0883 7.0883 7.0927 7.0927 7.1736 7.1736 7.1771 7.1771 7.4960 7.4960 7.5298 7.5298 8.1524 8.1524 8.1723 8.1723 9.4566 9.4566 9.4658 9.4658 9.7340 9.7340 9.7550 9.7550 9.7575 9.7575 9.7711 9.7711 10.7302 10.7302 k = 0.5000 0.5000 0.1875 ( 10052 PWs) bands (ev): -18.9866 -18.9866 -18.9866 -18.9866 -18.9526 -18.9526 -18.9526 -18.9526 -5.8043 -5.8043 -5.7946 -5.7946 -5.7571 -5.7571 -5.7451 -5.7451 -4.1142 -4.1142 -4.0418 -4.0418 -3.9645 -3.9645 -3.8799 -3.8799 -3.7821 -3.7821 -3.6949 -3.6949 -3.5221 -3.5221 -3.4874 -3.4874 -0.5717 -0.5717 -0.5561 -0.5561 -0.0905 -0.0905 -0.0659 -0.0659 2.0995 2.0995 2.1099 2.1099 3.3744 3.3744 3.3815 3.3815 5.3686 5.3686 5.3746 5.3746 5.3987 5.3987 5.4025 5.4025 7.0449 7.0449 7.0484 7.0484 7.1402 7.1402 7.1419 7.1419 7.4701 7.4701 7.5049 7.5049 8.1567 8.1567 8.1791 8.1791 9.4855 9.4855 9.4957 9.4957 9.7224 9.7224 9.7521 9.7521 9.7560 9.7560 9.7637 9.7637 10.7420 10.7420 k = 0.5000 0.5000 0.2083 ( 10036 PWs) bands (ev): -18.9858 -18.9858 -18.9858 -18.9858 -18.9533 -18.9533 -18.9533 -18.9533 -5.8048 -5.8048 -5.7946 -5.7946 -5.7591 -5.7591 -5.7456 -5.7456 -4.1209 -4.1209 -4.0399 -4.0399 -3.9671 -3.9671 -3.8842 -3.8842 -3.7743 -3.7743 -3.6876 -3.6876 -3.5266 -3.5266 -3.4877 -3.4877 -0.5600 -0.5600 -0.5428 -0.5428 -0.0954 -0.0954 -0.0686 -0.0686 2.1130 2.1130 2.1243 2.1243 3.3415 3.3415 3.3492 3.3492 5.3894 5.3894 5.3930 5.3930 5.4422 5.4422 5.4444 5.4444 7.0023 7.0023 7.0048 7.0048 7.1049 7.1049 7.1054 7.1054 7.4434 7.4434 7.4787 7.4787 8.1530 8.1530 8.1781 8.1781 9.5164 9.5164 9.5269 9.5269 9.7127 9.7127 9.7426 9.7426 9.7620 9.7620 9.7720 9.7720 10.7482 10.7482 k = 0.5000 0.5000 0.2292 ( 10044 PWs) bands (ev): -18.9849 -18.9849 -18.9849 -18.9849 -18.9542 -18.9542 -18.9542 -18.9542 -5.8053 -5.8053 -5.7947 -5.7947 -5.7612 -5.7612 -5.7461 -5.7461 -4.1274 -4.1274 -4.0378 -4.0378 -3.9695 -3.9695 -3.8898 -3.8898 -3.7650 -3.7650 -3.6805 -3.6805 -3.5314 -3.5314 -3.4881 -3.4881 -0.5470 -0.5470 -0.5285 -0.5285 -0.1014 -0.1014 -0.0725 -0.0725 2.1295 2.1295 2.1416 2.1416 3.3053 3.3053 3.3137 3.3137 5.4103 5.4103 5.4127 5.4127 5.4879 5.4879 5.4898 5.4898 6.9612 6.9612 6.9628 6.9628 7.0664 7.0664 7.0693 7.0693 7.4169 7.4169 7.4525 7.4525 8.1410 8.1410 8.1689 8.1689 9.5487 9.5487 9.5585 9.5585 9.7059 9.7059 9.7349 9.7349 9.7753 9.7753 9.7879 9.7879 10.7477 10.7477 k = 0.5000 0.5000 0.2500 ( 10028 PWs) bands (ev): -18.9840 -18.9840 -18.9840 -18.9840 -18.9551 -18.9551 -18.9551 -18.9551 -5.8056 -5.8056 -5.7947 -5.7947 -5.7635 -5.7635 -5.7468 -5.7468 -4.1337 -4.1337 -4.0355 -4.0355 -3.9717 -3.9717 -3.8963 -3.8963 -3.7548 -3.7548 -3.6736 -3.6736 -3.5365 -3.5365 -3.4886 -3.4886 -0.5329 -0.5329 -0.5130 -0.5130 -0.1088 -0.1088 -0.0780 -0.0780 2.1492 2.1492 2.1621 2.1621 3.2659 3.2659 3.2749 3.2749 5.4328 5.4328 5.4343 5.4343 5.5343 5.5343 5.5366 5.5366 6.9223 6.9223 6.9227 6.9227 7.0267 7.0267 7.0321 7.0321 7.3917 7.3917 7.4275 7.4275 8.1206 8.1206 8.1514 8.1514 9.5818 9.5818 9.5894 9.5894 9.7025 9.7025 9.7305 9.7305 9.7960 9.7960 9.8101 9.8101 10.7400 10.7400 k = 0.5000 0.5000 0.2708 ( 10048 PWs) bands (ev): -18.9830 -18.9830 -18.9830 -18.9830 -18.9561 -18.9561 -18.9561 -18.9561 -5.8057 -5.8057 -5.7947 -5.7947 -5.7658 -5.7658 -5.7475 -5.7475 -4.1397 -4.1397 -4.0329 -4.0329 -3.9736 -3.9736 -3.9033 -3.9033 -3.7441 -3.7441 -3.6669 -3.6669 -3.5420 -3.5420 -3.4893 -3.4893 -0.5177 -0.5177 -0.4965 -0.4965 -0.1175 -0.1175 -0.0850 -0.0850 2.1723 2.1723 2.1858 2.1858 3.2236 3.2236 3.2331 3.2331 5.4570 5.4570 5.4577 5.4577 5.5804 5.5804 5.5834 5.5834 6.8850 6.8850 6.8857 6.8857 6.9863 6.9863 6.9942 6.9942 7.3688 7.3688 7.4049 7.4049 8.0921 8.0921 8.1257 8.1257 9.6147 9.6147 9.6189 9.6189 9.7025 9.7025 9.7297 9.7297 9.8236 9.8236 9.8381 9.8381 10.7256 10.7256 k = 0.5000 0.5000 0.2917 ( 10056 PWs) bands (ev): -18.9820 -18.9820 -18.9820 -18.9820 -18.9571 -18.9571 -18.9571 -18.9571 -5.8057 -5.8057 -5.7947 -5.7947 -5.7683 -5.7683 -5.7483 -5.7483 -4.1454 -4.1454 -4.0301 -4.0301 -3.9754 -3.9754 -3.9107 -3.9107 -3.7329 -3.7329 -3.6605 -3.6605 -3.5478 -3.5478 -3.4901 -3.4901 -0.5014 -0.5014 -0.4790 -0.4790 -0.1278 -0.1278 -0.0936 -0.0936 2.1989 2.1989 2.2129 2.2129 3.1784 3.1784 3.1885 3.1885 5.4829 5.4829 5.4830 5.4830 5.6250 5.6250 5.6289 5.6289 6.8500 6.8500 6.8520 6.8520 6.9457 6.9457 6.9560 6.9560 7.3495 7.3495 7.3861 7.3861 8.0563 8.0563 8.0924 8.0924 9.6459 9.6459 9.6461 9.6461 9.7059 9.7059 9.7326 9.7326 9.8575 9.8575 9.8714 9.8714 10.7054 10.7054 k = 0.5000 0.5000 0.3125 ( 10048 PWs) bands (ev): -18.9809 -18.9809 -18.9809 -18.9809 -18.9582 -18.9582 -18.9582 -18.9582 -5.8054 -5.8054 -5.7946 -5.7946 -5.7709 -5.7709 -5.7492 -5.7492 -4.1507 -4.1507 -4.0270 -4.0270 -3.9770 -3.9770 -3.9183 -3.9183 -3.7216 -3.7216 -3.6545 -3.6545 -3.5539 -3.5539 -3.4910 -3.4910 -0.4840 -0.4840 -0.4606 -0.4606 -0.1395 -0.1395 -0.1038 -0.1038 2.2290 2.2290 2.2435 2.2435 3.1307 3.1307 3.1413 3.1413 5.5098 5.5098 5.5107 5.5107 5.6668 5.6668 5.6720 5.6720 6.8179 6.8179 6.8212 6.8212 6.9057 6.9057 6.9179 6.9179 7.3348 7.3348 7.3722 7.3722 8.0139 8.0139 8.0524 8.0524 9.6694 9.6694 9.6744 9.6744 9.7130 9.7130 9.7395 9.7395 9.8968 9.8968 9.9094 9.9094 10.6804 10.6804 k = 0.5000 0.5000 0.3333 ( 10048 PWs) bands (ev): -18.9798 -18.9798 -18.9798 -18.9798 -18.9593 -18.9593 -18.9593 -18.9593 -5.8049 -5.8049 -5.7945 -5.7945 -5.7735 -5.7735 -5.7500 -5.7500 -4.1555 -4.1555 -4.0236 -4.0236 -3.9784 -3.9784 -3.9261 -3.9261 -3.7103 -3.7103 -3.6489 -3.6489 -3.5604 -3.5604 -3.4919 -3.4919 -0.4658 -0.4658 -0.4415 -0.4415 -0.1527 -0.1527 -0.1157 -0.1157 2.2628 2.2628 2.2776 2.2776 3.0807 3.0807 3.0918 3.0918 5.5382 5.5382 5.5399 5.5399 5.7047 5.7047 5.7112 5.7112 6.7889 6.7889 6.7937 6.7937 6.8670 6.8670 6.8808 6.8808 7.3255 7.3255 7.3642 7.3642 7.9661 7.9661 8.0066 8.0066 9.6886 9.6886 9.6979 9.6979 9.7237 9.7237 9.7507 9.7507 9.9402 9.9402 9.9516 9.9516 10.6516 10.6516 k = 0.5000 0.5000 0.3542 ( 10032 PWs) bands (ev): -18.9786 -18.9786 -18.9786 -18.9786 -18.9605 -18.9605 -18.9605 -18.9605 -5.8043 -5.8043 -5.7944 -5.7944 -5.7761 -5.7761 -5.7509 -5.7509 -4.1599 -4.1599 -4.0198 -4.0198 -3.9796 -3.9796 -3.9338 -3.9338 -3.6989 -3.6989 -3.6437 -3.6437 -3.5673 -3.5673 -3.4928 -3.4928 -0.4468 -0.4468 -0.4217 -0.4217 -0.1673 -0.1673 -0.1291 -0.1291 2.2999 2.2999 2.3150 2.3150 3.0288 3.0288 3.0402 3.0402 5.5678 5.5678 5.5704 5.5704 5.7373 5.7373 5.7452 5.7452 6.7630 6.7630 6.7694 6.7694 6.8306 6.8306 6.8454 6.8454 7.3226 7.3226 7.3630 7.3630 7.9140 7.9140 7.9560 7.9560 9.7037 9.7037 9.7158 9.7158 9.7370 9.7370 9.7655 9.7655 9.9869 9.9869 9.9972 9.9972 10.6197 10.6197 k = 0.5000 0.5000 0.3750 ( 10024 PWs) bands (ev): -18.9774 -18.9774 -18.9774 -18.9774 -18.9617 -18.9617 -18.9617 -18.9617 -5.8034 -5.8034 -5.7943 -5.7943 -5.7788 -5.7788 -5.7517 -5.7517 -4.1637 -4.1637 -4.0157 -4.0157 -3.9808 -3.9808 -3.9415 -3.9415 -3.6877 -3.6877 -3.6391 -3.6391 -3.5744 -3.5744 -3.4938 -3.4938 -0.4270 -0.4270 -0.4015 -0.4015 -0.1833 -0.1833 -0.1439 -0.1439 2.3404 2.3404 2.3556 2.3556 2.9751 2.9751 2.9870 2.9870 5.5983 5.5983 5.6017 5.6017 5.7637 5.7637 5.7729 5.7729 6.7403 6.7403 6.7486 6.7486 6.7975 6.7975 6.8125 6.8125 7.3267 7.3267 7.3692 7.3692 7.8586 7.8586 7.9016 7.9016 9.7163 9.7163 9.7298 9.7298 9.7503 9.7503 9.7815 9.7815 10.0358 10.0358 10.0455 10.0455 10.5853 10.5853 k = 0.5000 0.5000 0.3958 ( 10036 PWs) bands (ev): -18.9761 -18.9761 -18.9761 -18.9761 -18.9630 -18.9630 -18.9630 -18.9630 -5.8023 -5.8023 -5.7941 -5.7941 -5.7814 -5.7814 -5.7525 -5.7525 -4.1670 -4.1670 -4.0113 -4.0113 -3.9817 -3.9817 -3.9491 -3.9491 -3.6767 -3.6767 -3.6350 -3.6350 -3.5820 -3.5820 -3.4947 -3.4947 -0.4066 -0.4066 -0.3809 -0.3809 -0.2005 -0.2005 -0.1599 -0.1599 2.3839 2.3839 2.3992 2.3992 2.9202 2.9202 2.9324 2.9324 5.6291 5.6291 5.6336 5.6336 5.7828 5.7828 5.7932 5.7932 6.7209 6.7209 6.7314 6.7314 6.7684 6.7684 6.7830 6.7830 7.3380 7.3380 7.3831 7.3831 7.8013 7.8013 7.8447 7.8447 9.7279 9.7279 9.7414 9.7414 9.7617 9.7617 9.7960 9.7960 10.0861 10.0861 10.0956 10.0956 10.5487 10.5487 k = 0.5000 0.5000 0.4167 ( 10036 PWs) bands (ev): -18.9748 -18.9748 -18.9748 -18.9748 -18.9643 -18.9643 -18.9642 -18.9642 -5.8009 -5.8009 -5.7940 -5.7940 -5.7840 -5.7840 -5.7532 -5.7532 -4.1697 -4.1697 -4.0065 -4.0065 -3.9825 -3.9825 -3.9565 -3.9565 -3.6658 -3.6658 -3.6316 -3.6316 -3.5899 -3.5899 -3.4955 -3.4955 -0.3857 -0.3857 -0.3604 -0.3604 -0.2189 -0.2189 -0.1768 -0.1768 2.4303 2.4303 2.4456 2.4456 2.8643 2.8643 2.8768 2.8768 5.6599 5.6599 5.6652 5.6652 5.7942 5.7942 5.8055 5.8055 6.7046 6.7046 6.7177 6.7177 6.7443 6.7443 6.7575 6.7575 7.3567 7.3567 7.4048 7.4048 7.7432 7.7432 7.7863 7.7863 9.7389 9.7389 9.7514 9.7514 9.7701 9.7701 9.8079 9.8079 10.1371 10.1371 10.1468 10.1468 10.5100 10.5100 k = 0.5000 0.5000 0.4375 ( 10036 PWs) bands (ev): -18.9735 -18.9735 -18.9735 -18.9735 -18.9656 -18.9656 -18.9655 -18.9655 -5.7994 -5.7994 -5.7939 -5.7939 -5.7866 -5.7866 -5.7537 -5.7537 -4.1718 -4.1718 -4.0013 -4.0013 -3.9831 -3.9831 -3.9637 -3.9637 -3.6552 -3.6552 -3.6288 -3.6288 -3.5982 -3.5982 -3.4961 -3.4961 -0.3645 -0.3645 -0.3403 -0.3403 -0.2382 -0.2382 -0.1940 -0.1940 2.4792 2.4792 2.4946 2.4946 2.8080 2.8080 2.8207 2.8207 5.6898 5.6898 5.6960 5.6960 5.7977 5.7977 5.8096 5.8096 6.6916 6.6916 6.7078 6.7078 6.7256 6.7256 6.7366 6.7366 7.3823 7.3823 7.4341 7.4341 7.6859 7.6859 7.7276 7.7276 9.7491 9.7491 9.7599 9.7599 9.7752 9.7752 9.8167 9.8167 10.1881 10.1881 10.1982 10.1982 10.4694 10.4694 k = 0.5000 0.5000 0.4583 ( 10032 PWs) bands (ev): -18.9722 -18.9722 -18.9722 -18.9722 -18.9669 -18.9669 -18.9669 -18.9669 -5.7977 -5.7977 -5.7937 -5.7937 -5.7891 -5.7891 -5.7541 -5.7541 -4.1734 -4.1734 -3.9958 -3.9958 -3.9835 -3.9835 -3.9707 -3.9707 -3.6449 -3.6449 -3.6268 -3.6268 -3.6069 -3.6069 -3.4966 -3.4966 -0.3430 -0.3430 -0.3216 -0.3216 -0.2582 -0.2582 -0.2107 -0.2107 2.5301 2.5301 2.5456 2.5456 2.7517 2.7517 2.7644 2.7644 5.7180 5.7180 5.7249 5.7249 5.7936 5.7936 5.8058 5.8058 6.6821 6.6821 6.7018 6.7018 6.7124 6.7124 6.7203 6.7203 7.4135 7.4135 7.4705 7.4705 7.6316 7.6316 7.6698 7.6698 9.7583 9.7583 9.7665 9.7665 9.7771 9.7771 9.8226 9.8226 10.2386 10.2386 10.2490 10.2490 10.4268 10.4268 k = 0.5000 0.5000 0.4792 ( 10048 PWs) bands (ev): -18.9709 -18.9709 -18.9709 -18.9709 -18.9682 -18.9682 -18.9682 -18.9682 -5.7957 -5.7957 -5.7937 -5.7937 -5.7914 -5.7914 -5.7544 -5.7544 -4.1743 -4.1743 -3.9900 -3.9900 -3.9838 -3.9838 -3.9774 -3.9774 -3.6349 -3.6349 -3.6256 -3.6256 -3.6159 -3.6159 -3.4970 -3.4970 -0.3215 -0.3215 -0.3065 -0.3065 -0.2789 -0.2789 -0.2246 -0.2246 2.5823 2.5823 2.5986 2.5986 2.6962 2.6962 2.7083 2.7083 5.7436 5.7436 5.7504 5.7504 5.7825 5.7825 5.7954 5.7954 6.6762 6.6762 6.6998 6.6998 6.7047 6.7047 6.7089 6.7089 7.4464 7.4464 7.5133 7.5133 7.5846 7.5846 7.6140 7.6140 9.7661 9.7661 9.7707 9.7707 9.7760 9.7760 9.8258 9.8258 10.2880 10.2880 10.2983 10.2983 10.3823 10.3823 k = 0.5000 0.5000 0.5000 ( 10048 PWs) bands (ev): -18.9695 -18.9695 -18.9695 -18.9695 -18.9695 -18.9695 -18.9695 -18.9695 -5.7937 -5.7937 -5.7937 -5.7937 -5.7937 -5.7937 -5.7545 -5.7545 -4.1746 -4.1746 -3.9839 -3.9839 -3.9839 -3.9839 -3.9839 -3.9839 -3.6252 -3.6252 -3.6252 -3.6252 -3.6252 -3.6252 -3.4971 -3.4971 -0.3001 -0.3001 -0.3001 -0.3001 -0.3001 -0.3001 -0.2306 -0.2306 2.6246 2.6246 2.6529 2.6529 2.6529 2.6529 2.6529 2.6529 5.7655 5.7655 5.7655 5.7655 5.7655 5.7655 5.7854 5.7854 6.6742 6.6742 6.7021 6.7021 6.7021 6.7021 6.7021 6.7021 7.4648 7.4648 7.5615 7.5615 7.5615 7.5615 7.5615 7.5615 9.7722 9.7722 9.7722 9.7722 9.7722 9.7722 9.8269 9.8269 10.3360 10.3360 10.3360 10.3360 10.3360 10.3360 Writing output data file BaSi2.save init_run : 1.67s CPU 1.03s WALL ( 1 calls) electrons : 577.38s CPU 508.45s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.34s CPU 0.30s WALL ( 1 calls) Called by electrons: c_bands : 577.37s CPU 508.44s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.00s WALL ( 1 calls) newd : 0.70s CPU 0.36s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.43s CPU 0.47s WALL ( 187 calls) cegterg : 503.37s CPU 464.76s WALL ( 486 calls) Called by sum_band: Called by *egterg: h_psi : 325.52s CPU 263.83s WALL ( 8615 calls) s_psi : 28.20s CPU 24.68s WALL ( 8615 calls) g_psi : 0.36s CPU 0.36s WALL ( 7942 calls) cdiaghg : 165.61s CPU 162.85s WALL ( 8129 calls) cegterg:over : 18.25s CPU 18.42s WALL ( 7942 calls) cegterg:upda : 12.66s CPU 13.02s WALL ( 7942 calls) cegterg:last : 7.52s CPU 7.49s WALL ( 1047 calls) cdiaghg:chol : 6.99s CPU 7.09s WALL ( 8129 calls) cdiaghg:inve : 4.99s CPU 4.90s WALL ( 8129 calls) cdiaghg:para : 9.40s CPU 9.70s WALL ( 16258 calls) Called by h_psi: h_psi:vloc : 264.27s CPU 209.19s WALL ( 8615 calls) h_psi:vnl : 60.76s CPU 54.22s WALL ( 8615 calls) add_vuspsi : 34.12s CPU 29.96s WALL ( 8615 calls) General routines calbec : 26.60s CPU 24.22s WALL ( 8615 calls) fft : 0.08s CPU 0.06s WALL ( 19 calls) ffts : 0.03s CPU 0.02s WALL ( 4 calls) fftw : 258.57s CPU 203.81s WALL ( 1028448 calls) interpolate : 0.04s CPU 0.02s WALL ( 4 calls) davcio : 0.27s CPU 1.09s WALL ( 374 calls) Parallel routines fft_scatter : 138.24s CPU 128.71s WALL ( 1028471 calls) PWSCF : 10m16.35s CPU 9m41.86s WALL This run was terminated on: 20:45:12 20Mar2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=