Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:54: 8 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./CdxN2O3x2.save/ file Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4D 4D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 144 42 12 7847 1244 194 Max 146 43 13 7851 1260 199 Sum 5201 1533 437 282545 45025 7075 bravais-lattice index = 14 lattice parameter (alat) = 10.1195 a.u. unit-cell volume = 1036.2748 (a.u.)^3 number of atoms/cell = 11 number of atomic types = 3 number of electrons = 68.00 number of Kohn-Sham states= 82 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 639.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.119483 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 Cd read from file: /users/gautes/Pseudo/Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1d41bce1441572f114805845d9d822b0 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1239 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Cd 12.00 112.41100 Cd( 1.00) O 6.00 15.99940 O( 1.00) N 5.00 14.00670 N( 1.00) 24 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 120 deg rotation - cart. axis [-1,-1,-1] cryst. s( 5) = ( 0 0 1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 6 120 deg rotation - cart. axis [-1,1,1] cryst. s( 6) = ( 0 0 -1 ) ( -1 0 0 ) ( 0 1 0 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 7 120 deg rotation - cart. axis [1,1,-1] cryst. s( 7) = ( 0 0 -1 ) ( 1 0 0 ) ( 0 -1 0 ) cart. s( 7) = ( -0.0000000 1.0000000 -0.0000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 8 120 deg rotation - cart. axis [1,-1,1] cryst. s( 8) = ( 0 0 1 ) ( -1 0 0 ) ( 0 -1 0 ) cart. s( 8) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 9 120 deg rotation - cart. axis [1,1,1] cryst. s( 9) = ( 0 1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s( 9) = ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 10 120 deg rotation - cart. axis [-1,1,-1] cryst. s(10) = ( 0 -1 0 ) ( 0 0 -1 ) ( 1 0 0 ) cart. s(10) = ( -0.0000000 -0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 11 120 deg rotation - cart. axis [1,-1,-1] cryst. s(11) = ( 0 -1 0 ) ( 0 0 1 ) ( -1 0 0 ) cart. s(11) = ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 12 120 deg rotation - cart. axis [-1,-1,1] cryst. s(12) = ( 0 1 0 ) ( 0 0 -1 ) ( -1 0 0 ) cart. s(12) = ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 13 inversion cryst. s(13) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(14) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(14) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 15 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(15) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 16 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(16) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 17 inv. 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 inv. 120 deg rotation - cart. axis [-1,1,1] cryst. s(18) = ( 0 0 1 ) ( 1 0 0 ) ( 0 -1 0 ) cart. s(18) = ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 19 inv. 120 deg rotation - cart. axis [1,1,-1] cryst. s(19) = ( 0 0 1 ) ( -1 0 0 ) ( 0 1 0 ) cart. s(19) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 20 inv. 120 deg rotation - cart. axis [1,-1,1] cryst. s(20) = ( 0 0 -1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(20) = ( -0.0000000 1.0000000 0.0000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 21 inv. 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 inv. 120 deg rotation - cart. axis [-1,1,-1] cryst. s(22) = ( 0 1 0 ) ( 0 0 1 ) ( -1 0 0 ) cart. s(22) = ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 23 inv. 120 deg rotation - cart. axis [1,-1,-1] cryst. s(23) = ( 0 1 0 ) ( 0 0 -1 ) ( 1 0 0 ) cart. s(23) = ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 24 inv. 120 deg rotation - cart. axis [-1,-1,1] cryst. s(24) = ( 0 -1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(24) = ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) double point group T_h (m-3) there are 14 classes and 6 irreducible representations the character table: E -E 3C2 4C3 -4C3 4C3' -4C3' i -i 3s_h 4S6' -4S6' -3C2 -3s_h G_5+ 2.00 -2.00 0.00 1.00 -1.00 1.00 -1.00 2.00 -2.00 0.00 1.00 -1.00 G_6+ 2.00 -2.00 0.00 -0.50 0.50 -0.50 0.50 2.00 -2.00 0.00 -0.50 0.50 G_7+ 2.00 -2.00 0.00 -0.50 0.50 -0.50 0.50 2.00 -2.00 0.00 -0.50 0.50 G_5- 2.00 -2.00 0.00 1.00 -1.00 1.00 -1.00 -2.00 2.00 0.00 -1.00 1.00 G_6- 2.00 -2.00 0.00 -0.50 0.50 -0.50 0.50 -2.00 2.00 0.00 0.50 -0.50 G_7- 2.00 -2.00 0.00 -0.50 0.50 -0.50 0.50 -2.00 2.00 0.00 0.50 -0.50 4S6 -4S6 G_5+ 1.00 -1.00 G_6+ -0.50 0.50 G_7+ -0.50 0.50 G_5- -1.00 1.00 G_6- 0.50 -0.50 G_7- 0.50 -0.50 imaginary part E -E 3C2 4C3 -4C3 4C3' -4C3' i -i 3s_h 4S6' -4S6' -3C2 -3s_h G_5+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_6+ 0.00 0.00 0.00 0.87 -0.87 -0.87 0.87 0.00 0.00 0.00 0.87 -0.87 G_7+ 0.00 0.00 0.00 -0.87 0.87 0.87 -0.87 0.00 0.00 0.00 -0.87 0.87 G_5- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_6- 0.00 0.00 0.00 0.87 -0.87 -0.87 0.87 0.00 0.00 0.00 -0.87 0.87 G_7- 0.00 0.00 0.00 -0.87 0.87 0.87 -0.87 0.00 0.00 0.00 0.87 -0.87 4S6 -4S6 G_5+ 0.00 0.00 G_6+ -0.87 0.87 G_7+ 0.87 -0.87 G_5- 0.00 0.00 G_6- 0.87 -0.87 G_7- -0.87 0.87 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 3C2 -3C2 2 -2 3 -3 4 -4 180 deg rotation - cart. axis [0,0,1] 4C3 9 12 10 11 120 deg rotation - cart. axis [1,1,1] -4C3 -9 -12 -10 -11 120 deg rotation - cart. axis [1,1,1] E 4C3' 5 7 8 6 120 deg rotation - cart. axis [-1,-1,-1] -4C3' -5 -7 -8 -6 120 deg rotation - cart. axis [-1,-1,-1] E i 13 inversion -i -13 inversion E 3s_h-3s_h 14 -14 15 -15 16 -16 inv. 180 deg rotation - cart. axis [0,0,1] 4S6' 21 24 22 23 inv. 120 deg rotation - cart. axis [1,1,1] -4S6' -21 -24 -22 -23 inv. 120 deg rotation - cart. axis [1,1,1] E 4S6 17 19 20 18 inv. 120 deg rotation - cart. axis [-1,-1,-1] -4S6 -17 -19 -20 -18 inv. 120 deg rotation - cart. axis [-1,-1,-1] E Cartesian axes number of k points= 231 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043290 k( 2) = ( 0.0000000 0.0166667 -0.0000000), wk = 0.0043290 k( 3) = ( 0.0000000 0.0333333 -0.0000000), wk = 0.0043290 k( 4) = ( 0.0000000 0.0500000 -0.0000000), wk = 0.0043290 k( 5) = ( 0.0000000 0.0666667 -0.0000000), wk = 0.0043290 k( 6) = ( 0.0000000 0.0833333 -0.0000000), wk = 0.0043290 k( 7) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0043290 k( 8) = ( 0.0000000 0.1166667 -0.0000000), wk = 0.0043290 k( 9) = ( 0.0000000 0.1333333 -0.0000000), wk = 0.0043290 k( 10) = ( 0.0000000 0.1500000 -0.0000000), wk = 0.0043290 k( 11) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0043290 k( 12) = ( 0.0000000 0.1833333 -0.0000000), wk = 0.0043290 k( 13) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0043290 k( 14) = ( 0.0000000 0.2166667 -0.0000000), wk = 0.0043290 k( 15) = ( 0.0000000 0.2333333 -0.0000000), wk = 0.0043290 k( 16) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0043290 k( 17) = ( 0.0000000 0.2666667 -0.0000000), wk = 0.0043290 k( 18) = ( 0.0000000 0.2833333 -0.0000000), wk = 0.0043290 k( 19) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0043290 k( 20) = ( 0.0000000 0.3166667 -0.0000000), wk = 0.0043290 k( 21) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0043290 k( 22) = ( 0.0000000 0.3500000 -0.0000000), wk = 0.0043290 k( 23) = ( 0.0000000 0.3666667 -0.0000000), wk = 0.0043290 k( 24) = ( 0.0000000 0.3833333 -0.0000000), wk = 0.0043290 k( 25) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0043290 k( 26) = ( 0.0000000 0.4166667 -0.0000000), wk = 0.0043290 k( 27) = ( 0.0000000 0.4333333 -0.0000000), wk = 0.0043290 k( 28) = ( 0.0000000 0.4500000 -0.0000000), wk = 0.0043290 k( 29) = ( 0.0000000 0.4666667 -0.0000000), wk = 0.0043290 k( 30) = ( 0.0000000 0.4833333 -0.0000000), wk = 0.0043290 k( 31) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0043290 k( 32) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0043290 k( 33) = ( 0.0166667 0.5000000 -0.0000000), wk = 0.0043290 k( 34) = ( 0.0333333 0.5000000 -0.0000000), wk = 0.0043290 k( 35) = ( 0.0500000 0.5000000 -0.0000000), wk = 0.0043290 k( 36) = ( 0.0666667 0.5000000 -0.0000000), wk = 0.0043290 k( 37) = ( 0.0833333 0.5000000 -0.0000000), wk = 0.0043290 k( 38) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0043290 k( 39) = ( 0.1166667 0.5000000 -0.0000000), wk = 0.0043290 k( 40) = ( 0.1333333 0.5000000 -0.0000000), wk = 0.0043290 k( 41) = ( 0.1500000 0.5000000 -0.0000000), wk = 0.0043290 k( 42) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0043290 k( 43) = ( 0.1833333 0.5000000 -0.0000000), wk = 0.0043290 k( 44) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0043290 k( 45) = ( 0.2166667 0.5000000 -0.0000000), wk = 0.0043290 k( 46) = ( 0.2333333 0.5000000 -0.0000000), wk = 0.0043290 k( 47) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0043290 k( 48) = ( 0.2666667 0.5000000 -0.0000000), wk = 0.0043290 k( 49) = ( 0.2833333 0.5000000 -0.0000000), wk = 0.0043290 k( 50) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0043290 k( 51) = ( 0.3166667 0.5000000 -0.0000000), wk = 0.0043290 k( 52) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0043290 k( 53) = ( 0.3500000 0.5000000 -0.0000000), wk = 0.0043290 k( 54) = ( 0.3666667 0.5000000 -0.0000000), wk = 0.0043290 k( 55) = ( 0.3833333 0.5000000 -0.0000000), wk = 0.0043290 k( 56) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0043290 k( 57) = ( 0.4166667 0.5000000 -0.0000000), wk = 0.0043290 k( 58) = ( 0.4333333 0.5000000 -0.0000000), wk = 0.0043290 k( 59) = ( 0.4500000 0.5000000 -0.0000000), wk = 0.0043290 k( 60) = ( 0.4666667 0.5000000 -0.0000000), wk = 0.0043290 k( 61) = ( 0.4833333 0.5000000 -0.0000000), wk = 0.0043290 k( 62) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0043290 k( 63) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0043290 k( 64) = ( 0.4880952 0.4880952 -0.0000000), wk = 0.0043290 k( 65) = ( 0.4761905 0.4761905 -0.0000000), wk = 0.0043290 k( 66) = ( 0.4642857 0.4642857 -0.0000000), wk = 0.0043290 k( 67) = ( 0.4523810 0.4523809 -0.0000000), wk = 0.0043290 k( 68) = ( 0.4404762 0.4404762 -0.0000000), wk = 0.0043290 k( 69) = ( 0.4285714 0.4285714 -0.0000000), wk = 0.0043290 k( 70) = ( 0.4166667 0.4166667 -0.0000000), wk = 0.0043290 k( 71) = ( 0.4047619 0.4047619 -0.0000000), wk = 0.0043290 k( 72) = ( 0.3928571 0.3928571 -0.0000000), wk = 0.0043290 k( 73) = ( 0.3809524 0.3809524 -0.0000000), wk = 0.0043290 k( 74) = ( 0.3690476 0.3690476 -0.0000000), wk = 0.0043290 k( 75) = ( 0.3571429 0.3571429 -0.0000000), wk = 0.0043290 k( 76) = ( 0.3452381 0.3452381 -0.0000000), wk = 0.0043290 k( 77) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0043290 k( 78) = ( 0.3214286 0.3214286 -0.0000000), wk = 0.0043290 k( 79) = ( 0.3095238 0.3095238 -0.0000000), wk = 0.0043290 k( 80) = ( 0.2976190 0.2976190 -0.0000000), wk = 0.0043290 k( 81) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0043290 k( 82) = ( 0.2738095 0.2738095 -0.0000000), wk = 0.0043290 k( 83) = ( 0.2619048 0.2619048 -0.0000000), wk = 0.0043290 k( 84) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0043290 k( 85) = ( 0.2380952 0.2380952 -0.0000000), wk = 0.0043290 k( 86) = ( 0.2261905 0.2261905 -0.0000000), wk = 0.0043290 k( 87) = ( 0.2142857 0.2142857 -0.0000000), wk = 0.0043290 k( 88) = ( 0.2023810 0.2023809 -0.0000000), wk = 0.0043290 k( 89) = ( 0.1904762 0.1904762 -0.0000000), wk = 0.0043290 k( 90) = ( 0.1785714 0.1785714 -0.0000000), wk = 0.0043290 k( 91) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0043290 k( 92) = ( 0.1547619 0.1547619 -0.0000000), wk = 0.0043290 k( 93) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0043290 k( 94) = ( 0.1309524 0.1309524 -0.0000000), wk = 0.0043290 k( 95) = ( 0.1190476 0.1190476 -0.0000000), wk = 0.0043290 k( 96) = ( 0.1071429 0.1071429 -0.0000000), wk = 0.0043290 k( 97) = ( 0.0952381 0.0952381 -0.0000000), wk = 0.0043290 k( 98) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0043290 k( 99) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0043290 k( 100) = ( 0.0595238 0.0595238 -0.0000000), wk = 0.0043290 k( 101) = ( 0.0476191 0.0476190 -0.0000000), wk = 0.0043290 k( 102) = ( 0.0357143 0.0357143 -0.0000000), wk = 0.0043290 k( 103) = ( 0.0238095 0.0238095 -0.0000000), wk = 0.0043290 k( 104) = ( 0.0119048 0.0119048 -0.0000000), wk = 0.0043290 k( 105) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043290 k( 106) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043290 k( 107) = ( 0.0098039 0.0098039 0.0098039), wk = 0.0043290 k( 108) = ( 0.0196078 0.0196078 0.0196078), wk = 0.0043290 k( 109) = ( 0.0294118 0.0294118 0.0294118), wk = 0.0043290 k( 110) = ( 0.0392157 0.0392157 0.0392157), wk = 0.0043290 k( 111) = ( 0.0490196 0.0490196 0.0490196), wk = 0.0043290 k( 112) = ( 0.0588235 0.0588235 0.0588235), wk = 0.0043290 k( 113) = ( 0.0686275 0.0686275 0.0686274), wk = 0.0043290 k( 114) = ( 0.0784314 0.0784314 0.0784314), wk = 0.0043290 k( 115) = ( 0.0882353 0.0882353 0.0882353), wk = 0.0043290 k( 116) = ( 0.0980392 0.0980392 0.0980392), wk = 0.0043290 k( 117) = ( 0.1078431 0.1078431 0.1078431), wk = 0.0043290 k( 118) = ( 0.1176471 0.1176471 0.1176471), wk = 0.0043290 k( 119) = ( 0.1274510 0.1274510 0.1274510), wk = 0.0043290 k( 120) = ( 0.1372549 0.1372549 0.1372549), wk = 0.0043290 k( 121) = ( 0.1470588 0.1470588 0.1470588), wk = 0.0043290 k( 122) = ( 0.1568627 0.1568627 0.1568627), wk = 0.0043290 k( 123) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0043290 k( 124) = ( 0.1764706 0.1764706 0.1764706), wk = 0.0043290 k( 125) = ( 0.1862745 0.1862745 0.1862745), wk = 0.0043290 k( 126) = ( 0.1960784 0.1960784 0.1960784), wk = 0.0043290 k( 127) = ( 0.2058823 0.2058823 0.2058823), wk = 0.0043290 k( 128) = ( 0.2156863 0.2156863 0.2156863), wk = 0.0043290 k( 129) = ( 0.2254902 0.2254902 0.2254902), wk = 0.0043290 k( 130) = ( 0.2352941 0.2352941 0.2352941), wk = 0.0043290 k( 131) = ( 0.2450980 0.2450980 0.2450980), wk = 0.0043290 k( 132) = ( 0.2549020 0.2549020 0.2549020), wk = 0.0043290 k( 133) = ( 0.2647059 0.2647059 0.2647059), wk = 0.0043290 k( 134) = ( 0.2745098 0.2745098 0.2745098), wk = 0.0043290 k( 135) = ( 0.2843137 0.2843137 0.2843137), wk = 0.0043290 k( 136) = ( 0.2941177 0.2941176 0.2941176), wk = 0.0043290 k( 137) = ( 0.3039216 0.3039216 0.3039216), wk = 0.0043290 k( 138) = ( 0.3137255 0.3137255 0.3137255), wk = 0.0043290 k( 139) = ( 0.3235294 0.3235294 0.3235294), wk = 0.0043290 k( 140) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0043290 k( 141) = ( 0.3431373 0.3431372 0.3431372), wk = 0.0043290 k( 142) = ( 0.3529412 0.3529412 0.3529412), wk = 0.0043290 k( 143) = ( 0.3627451 0.3627451 0.3627451), wk = 0.0043290 k( 144) = ( 0.3725490 0.3725490 0.3725490), wk = 0.0043290 k( 145) = ( 0.3823529 0.3823529 0.3823529), wk = 0.0043290 k( 146) = ( 0.3921569 0.3921569 0.3921569), wk = 0.0043290 k( 147) = ( 0.4019608 0.4019608 0.4019608), wk = 0.0043290 k( 148) = ( 0.4117647 0.4117647 0.4117647), wk = 0.0043290 k( 149) = ( 0.4215686 0.4215686 0.4215686), wk = 0.0043290 k( 150) = ( 0.4313726 0.4313725 0.4313725), wk = 0.0043290 k( 151) = ( 0.4411765 0.4411765 0.4411765), wk = 0.0043290 k( 152) = ( 0.4509804 0.4509804 0.4509804), wk = 0.0043290 k( 153) = ( 0.4607843 0.4607843 0.4607843), wk = 0.0043290 k( 154) = ( 0.4705882 0.4705882 0.4705882), wk = 0.0043290 k( 155) = ( 0.4803922 0.4803922 0.4803922), wk = 0.0043290 k( 156) = ( 0.4901961 0.4901961 0.4901961), wk = 0.0043290 k( 157) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0043290 k( 158) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0043290 k( 159) = ( 0.4880952 0.5000000 0.4880952), wk = 0.0043290 k( 160) = ( 0.4761905 0.5000000 0.4761905), wk = 0.0043290 k( 161) = ( 0.4642857 0.5000000 0.4642857), wk = 0.0043290 k( 162) = ( 0.4523810 0.5000000 0.4523809), wk = 0.0043290 k( 163) = ( 0.4404762 0.5000000 0.4404762), wk = 0.0043290 k( 164) = ( 0.4285714 0.5000000 0.4285714), wk = 0.0043290 k( 165) = ( 0.4166667 0.5000000 0.4166667), wk = 0.0043290 k( 166) = ( 0.4047619 0.5000000 0.4047619), wk = 0.0043290 k( 167) = ( 0.3928571 0.5000000 0.3928571), wk = 0.0043290 k( 168) = ( 0.3809524 0.5000000 0.3809524), wk = 0.0043290 k( 169) = ( 0.3690476 0.5000000 0.3690476), wk = 0.0043290 k( 170) = ( 0.3571429 0.5000000 0.3571429), wk = 0.0043290 k( 171) = ( 0.3452381 0.5000000 0.3452381), wk = 0.0043290 k( 172) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0043290 k( 173) = ( 0.3214286 0.5000000 0.3214286), wk = 0.0043290 k( 174) = ( 0.3095238 0.5000000 0.3095238), wk = 0.0043290 k( 175) = ( 0.2976190 0.5000000 0.2976190), wk = 0.0043290 k( 176) = ( 0.2857143 0.5000000 0.2857143), wk = 0.0043290 k( 177) = ( 0.2738095 0.5000000 0.2738095), wk = 0.0043290 k( 178) = ( 0.2619048 0.5000000 0.2619048), wk = 0.0043290 k( 179) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0043290 k( 180) = ( 0.2380952 0.5000000 0.2380952), wk = 0.0043290 k( 181) = ( 0.2261905 0.5000000 0.2261905), wk = 0.0043290 k( 182) = ( 0.2142857 0.5000000 0.2142857), wk = 0.0043290 k( 183) = ( 0.2023810 0.5000000 0.2023809), wk = 0.0043290 k( 184) = ( 0.1904762 0.5000000 0.1904762), wk = 0.0043290 k( 185) = ( 0.1785714 0.5000000 0.1785714), wk = 0.0043290 k( 186) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0043290 k( 187) = ( 0.1547619 0.5000000 0.1547619), wk = 0.0043290 k( 188) = ( 0.1428571 0.5000000 0.1428571), wk = 0.0043290 k( 189) = ( 0.1309524 0.5000000 0.1309524), wk = 0.0043290 k( 190) = ( 0.1190476 0.5000000 0.1190476), wk = 0.0043290 k( 191) = ( 0.1071429 0.5000000 0.1071429), wk = 0.0043290 k( 192) = ( 0.0952381 0.5000000 0.0952381), wk = 0.0043290 k( 193) = ( 0.0833333 0.5000000 0.0833333), wk = 0.0043290 k( 194) = ( 0.0714286 0.5000000 0.0714286), wk = 0.0043290 k( 195) = ( 0.0595238 0.5000000 0.0595238), wk = 0.0043290 k( 196) = ( 0.0476191 0.5000000 0.0476190), wk = 0.0043290 k( 197) = ( 0.0357143 0.5000000 0.0357143), wk = 0.0043290 k( 198) = ( 0.0238095 0.5000000 0.0238095), wk = 0.0043290 k( 199) = ( 0.0119048 0.5000000 0.0119048), wk = 0.0043290 k( 200) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0043290 k( 201) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0043290 k( 202) = ( 0.5000000 0.5000000 0.0166667), wk = 0.0043290 k( 203) = ( 0.5000000 0.5000000 0.0333333), wk = 0.0043290 k( 204) = ( 0.5000000 0.5000000 0.0500000), wk = 0.0043290 k( 205) = ( 0.5000000 0.5000000 0.0666667), wk = 0.0043290 k( 206) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0043290 k( 207) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0043290 k( 208) = ( 0.5000000 0.5000000 0.1166667), wk = 0.0043290 k( 209) = ( 0.5000000 0.5000000 0.1333333), wk = 0.0043290 k( 210) = ( 0.5000000 0.5000000 0.1500000), wk = 0.0043290 k( 211) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0043290 k( 212) = ( 0.5000000 0.5000000 0.1833333), wk = 0.0043290 k( 213) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0043290 k( 214) = ( 0.5000000 0.5000000 0.2166667), wk = 0.0043290 k( 215) = ( 0.5000000 0.5000000 0.2333333), wk = 0.0043290 k( 216) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0043290 k( 217) = ( 0.5000000 0.5000000 0.2666667), wk = 0.0043290 k( 218) = ( 0.5000000 0.5000000 0.2833333), wk = 0.0043290 k( 219) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0043290 k( 220) = ( 0.5000000 0.5000000 0.3166667), wk = 0.0043290 k( 221) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0043290 k( 222) = ( 0.5000000 0.5000000 0.3500000), wk = 0.0043290 k( 223) = ( 0.5000000 0.5000000 0.3666667), wk = 0.0043290 k( 224) = ( 0.5000000 0.5000000 0.3833333), wk = 0.0043290 k( 225) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0043290 k( 226) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0043290 k( 227) = ( 0.5000000 0.5000000 0.4333333), wk = 0.0043290 k( 228) = ( 0.5000000 0.5000000 0.4500000), wk = 0.0043290 k( 229) = ( 0.5000000 0.5000000 0.4666667), wk = 0.0043290 k( 230) = ( 0.5000000 0.5000000 0.4833333), wk = 0.0043290 k( 231) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0043290 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043290 k( 2) = ( 0.0000000 0.0166667 0.0000000), wk = 0.0043290 k( 3) = ( 0.0000000 0.0333333 0.0000000), wk = 0.0043290 k( 4) = ( 0.0000000 0.0500000 0.0000000), wk = 0.0043290 k( 5) = ( 0.0000000 0.0666667 0.0000000), wk = 0.0043290 k( 6) = ( 0.0000000 0.0833333 0.0000000), wk = 0.0043290 k( 7) = ( 0.0000000 0.1000000 0.0000000), wk = 0.0043290 k( 8) = ( 0.0000000 0.1166667 0.0000000), wk = 0.0043290 k( 9) = ( 0.0000000 0.1333333 0.0000000), wk = 0.0043290 k( 10) = ( 0.0000000 0.1500000 0.0000000), wk = 0.0043290 k( 11) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0043290 k( 12) = ( 0.0000000 0.1833333 0.0000000), wk = 0.0043290 k( 13) = ( 0.0000000 0.2000000 0.0000000), wk = 0.0043290 k( 14) = ( 0.0000000 0.2166667 0.0000000), wk = 0.0043290 k( 15) = ( 0.0000000 0.2333333 0.0000000), wk = 0.0043290 k( 16) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0043290 k( 17) = ( 0.0000000 0.2666667 0.0000000), wk = 0.0043290 k( 18) = ( 0.0000000 0.2833333 0.0000000), wk = 0.0043290 k( 19) = ( 0.0000000 0.3000000 0.0000000), wk = 0.0043290 k( 20) = ( 0.0000000 0.3166667 0.0000000), wk = 0.0043290 k( 21) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0043290 k( 22) = ( 0.0000000 0.3500000 0.0000000), wk = 0.0043290 k( 23) = ( 0.0000000 0.3666667 0.0000000), wk = 0.0043290 k( 24) = ( 0.0000000 0.3833333 0.0000000), wk = 0.0043290 k( 25) = ( 0.0000000 0.4000000 0.0000000), wk = 0.0043290 k( 26) = ( 0.0000000 0.4166667 0.0000000), wk = 0.0043290 k( 27) = ( 0.0000000 0.4333333 0.0000000), wk = 0.0043290 k( 28) = ( 0.0000000 0.4500000 0.0000000), wk = 0.0043290 k( 29) = ( 0.0000000 0.4666667 0.0000000), wk = 0.0043290 k( 30) = ( 0.0000000 0.4833333 0.0000000), wk = 0.0043290 k( 31) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0043290 k( 32) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0043290 k( 33) = ( 0.0166667 0.5000000 0.0000000), wk = 0.0043290 k( 34) = ( 0.0333333 0.5000000 0.0000000), wk = 0.0043290 k( 35) = ( 0.0500000 0.5000000 0.0000000), wk = 0.0043290 k( 36) = ( 0.0666667 0.5000000 0.0000000), wk = 0.0043290 k( 37) = ( 0.0833333 0.5000000 0.0000000), wk = 0.0043290 k( 38) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0043290 k( 39) = ( 0.1166667 0.5000000 0.0000000), wk = 0.0043290 k( 40) = ( 0.1333333 0.5000000 0.0000000), wk = 0.0043290 k( 41) = ( 0.1500000 0.5000000 0.0000000), wk = 0.0043290 k( 42) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0043290 k( 43) = ( 0.1833333 0.5000000 0.0000000), wk = 0.0043290 k( 44) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0043290 k( 45) = ( 0.2166667 0.5000000 0.0000000), wk = 0.0043290 k( 46) = ( 0.2333333 0.5000000 0.0000000), wk = 0.0043290 k( 47) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0043290 k( 48) = ( 0.2666667 0.5000000 0.0000000), wk = 0.0043290 k( 49) = ( 0.2833333 0.5000000 0.0000000), wk = 0.0043290 k( 50) = ( 0.3000000 0.5000000 0.0000000), wk = 0.0043290 k( 51) = ( 0.3166667 0.5000000 0.0000000), wk = 0.0043290 k( 52) = ( 0.3333333 0.5000000 0.0000000), wk = 0.0043290 k( 53) = ( 0.3500000 0.5000000 0.0000000), wk = 0.0043290 k( 54) = ( 0.3666667 0.5000000 0.0000000), wk = 0.0043290 k( 55) = ( 0.3833333 0.5000000 0.0000000), wk = 0.0043290 k( 56) = ( 0.4000000 0.5000000 0.0000000), wk = 0.0043290 k( 57) = ( 0.4166667 0.5000000 0.0000000), wk = 0.0043290 k( 58) = ( 0.4333333 0.5000000 0.0000000), wk = 0.0043290 k( 59) = ( 0.4500000 0.5000000 0.0000000), wk = 0.0043290 k( 60) = ( 0.4666667 0.5000000 0.0000000), wk = 0.0043290 k( 61) = ( 0.4833333 0.5000000 0.0000000), wk = 0.0043290 k( 62) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0043290 k( 63) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0043290 k( 64) = ( 0.4880952 0.4880952 0.0000000), wk = 0.0043290 k( 65) = ( 0.4761905 0.4761905 0.0000000), wk = 0.0043290 k( 66) = ( 0.4642857 0.4642857 0.0000000), wk = 0.0043290 k( 67) = ( 0.4523810 0.4523810 0.0000000), wk = 0.0043290 k( 68) = ( 0.4404762 0.4404762 -0.0000000), wk = 0.0043290 k( 69) = ( 0.4285714 0.4285714 0.0000000), wk = 0.0043290 k( 70) = ( 0.4166667 0.4166667 0.0000000), wk = 0.0043290 k( 71) = ( 0.4047619 0.4047619 0.0000000), wk = 0.0043290 k( 72) = ( 0.3928571 0.3928571 -0.0000000), wk = 0.0043290 k( 73) = ( 0.3809524 0.3809524 -0.0000000), wk = 0.0043290 k( 74) = ( 0.3690476 0.3690476 0.0000000), wk = 0.0043290 k( 75) = ( 0.3571429 0.3571429 0.0000000), wk = 0.0043290 k( 76) = ( 0.3452381 0.3452381 0.0000000), wk = 0.0043290 k( 77) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0043290 k( 78) = ( 0.3214286 0.3214286 -0.0000000), wk = 0.0043290 k( 79) = ( 0.3095238 0.3095238 0.0000000), wk = 0.0043290 k( 80) = ( 0.2976190 0.2976190 0.0000000), wk = 0.0043290 k( 81) = ( 0.2857143 0.2857143 0.0000000), wk = 0.0043290 k( 82) = ( 0.2738095 0.2738095 0.0000000), wk = 0.0043290 k( 83) = ( 0.2619048 0.2619048 0.0000000), wk = 0.0043290 k( 84) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0043290 k( 85) = ( 0.2380952 0.2380952 0.0000000), wk = 0.0043290 k( 86) = ( 0.2261905 0.2261905 0.0000000), wk = 0.0043290 k( 87) = ( 0.2142857 0.2142857 0.0000000), wk = 0.0043290 k( 88) = ( 0.2023810 0.2023810 0.0000000), wk = 0.0043290 k( 89) = ( 0.1904762 0.1904762 -0.0000000), wk = 0.0043290 k( 90) = ( 0.1785714 0.1785714 0.0000000), wk = 0.0043290 k( 91) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0043290 k( 92) = ( 0.1547619 0.1547619 0.0000000), wk = 0.0043290 k( 93) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0043290 k( 94) = ( 0.1309524 0.1309524 0.0000000), wk = 0.0043290 k( 95) = ( 0.1190476 0.1190476 0.0000000), wk = 0.0043290 k( 96) = ( 0.1071429 0.1071429 0.0000000), wk = 0.0043290 k( 97) = ( 0.0952381 0.0952381 0.0000000), wk = 0.0043290 k( 98) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0043290 k( 99) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0043290 k( 100) = ( 0.0595238 0.0595238 0.0000000), wk = 0.0043290 k( 101) = ( 0.0476191 0.0476191 0.0000000), wk = 0.0043290 k( 102) = ( 0.0357143 0.0357143 0.0000000), wk = 0.0043290 k( 103) = ( 0.0238095 0.0238095 0.0000000), wk = 0.0043290 k( 104) = ( 0.0119048 0.0119048 0.0000000), wk = 0.0043290 k( 105) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043290 k( 106) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043290 k( 107) = ( 0.0098039 0.0098039 0.0098039), wk = 0.0043290 k( 108) = ( 0.0196078 0.0196078 0.0196078), wk = 0.0043290 k( 109) = ( 0.0294118 0.0294118 0.0294118), wk = 0.0043290 k( 110) = ( 0.0392157 0.0392157 0.0392157), wk = 0.0043290 k( 111) = ( 0.0490196 0.0490196 0.0490196), wk = 0.0043290 k( 112) = ( 0.0588235 0.0588235 0.0588235), wk = 0.0043290 k( 113) = ( 0.0686275 0.0686275 0.0686275), wk = 0.0043290 k( 114) = ( 0.0784314 0.0784314 0.0784314), wk = 0.0043290 k( 115) = ( 0.0882353 0.0882353 0.0882353), wk = 0.0043290 k( 116) = ( 0.0980392 0.0980392 0.0980392), wk = 0.0043290 k( 117) = ( 0.1078431 0.1078431 0.1078431), wk = 0.0043290 k( 118) = ( 0.1176471 0.1176471 0.1176471), wk = 0.0043290 k( 119) = ( 0.1274510 0.1274510 0.1274510), wk = 0.0043290 k( 120) = ( 0.1372549 0.1372549 0.1372549), wk = 0.0043290 k( 121) = ( 0.1470588 0.1470588 0.1470588), wk = 0.0043290 k( 122) = ( 0.1568627 0.1568627 0.1568627), wk = 0.0043290 k( 123) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0043290 k( 124) = ( 0.1764706 0.1764706 0.1764706), wk = 0.0043290 k( 125) = ( 0.1862745 0.1862745 0.1862745), wk = 0.0043290 k( 126) = ( 0.1960784 0.1960784 0.1960784), wk = 0.0043290 k( 127) = ( 0.2058823 0.2058823 0.2058823), wk = 0.0043290 k( 128) = ( 0.2156863 0.2156863 0.2156863), wk = 0.0043290 k( 129) = ( 0.2254902 0.2254902 0.2254902), wk = 0.0043290 k( 130) = ( 0.2352941 0.2352941 0.2352941), wk = 0.0043290 k( 131) = ( 0.2450980 0.2450980 0.2450980), wk = 0.0043290 k( 132) = ( 0.2549020 0.2549020 0.2549020), wk = 0.0043290 k( 133) = ( 0.2647059 0.2647059 0.2647059), wk = 0.0043290 k( 134) = ( 0.2745098 0.2745098 0.2745098), wk = 0.0043290 k( 135) = ( 0.2843137 0.2843137 0.2843137), wk = 0.0043290 k( 136) = ( 0.2941177 0.2941177 0.2941177), wk = 0.0043290 k( 137) = ( 0.3039216 0.3039216 0.3039216), wk = 0.0043290 k( 138) = ( 0.3137255 0.3137255 0.3137255), wk = 0.0043290 k( 139) = ( 0.3235294 0.3235294 0.3235294), wk = 0.0043290 k( 140) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0043290 k( 141) = ( 0.3431373 0.3431373 0.3431373), wk = 0.0043290 k( 142) = ( 0.3529412 0.3529412 0.3529412), wk = 0.0043290 k( 143) = ( 0.3627451 0.3627451 0.3627451), wk = 0.0043290 k( 144) = ( 0.3725490 0.3725490 0.3725490), wk = 0.0043290 k( 145) = ( 0.3823529 0.3823529 0.3823529), wk = 0.0043290 k( 146) = ( 0.3921569 0.3921569 0.3921569), wk = 0.0043290 k( 147) = ( 0.4019608 0.4019608 0.4019608), wk = 0.0043290 k( 148) = ( 0.4117647 0.4117647 0.4117647), wk = 0.0043290 k( 149) = ( 0.4215686 0.4215686 0.4215686), wk = 0.0043290 k( 150) = ( 0.4313726 0.4313726 0.4313726), wk = 0.0043290 k( 151) = ( 0.4411765 0.4411765 0.4411765), wk = 0.0043290 k( 152) = ( 0.4509804 0.4509804 0.4509804), wk = 0.0043290 k( 153) = ( 0.4607843 0.4607843 0.4607843), wk = 0.0043290 k( 154) = ( 0.4705882 0.4705882 0.4705882), wk = 0.0043290 k( 155) = ( 0.4803922 0.4803922 0.4803922), wk = 0.0043290 k( 156) = ( 0.4901961 0.4901961 0.4901961), wk = 0.0043290 k( 157) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0043290 k( 158) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0043290 k( 159) = ( 0.4880952 0.5000000 0.4880952), wk = 0.0043290 k( 160) = ( 0.4761905 0.5000000 0.4761905), wk = 0.0043290 k( 161) = ( 0.4642857 0.5000000 0.4642857), wk = 0.0043290 k( 162) = ( 0.4523810 0.5000000 0.4523810), wk = 0.0043290 k( 163) = ( 0.4404762 0.5000000 0.4404762), wk = 0.0043290 k( 164) = ( 0.4285714 0.5000000 0.4285714), wk = 0.0043290 k( 165) = ( 0.4166667 0.5000000 0.4166667), wk = 0.0043290 k( 166) = ( 0.4047619 0.5000000 0.4047619), wk = 0.0043290 k( 167) = ( 0.3928571 0.5000000 0.3928571), wk = 0.0043290 k( 168) = ( 0.3809524 0.5000000 0.3809524), wk = 0.0043290 k( 169) = ( 0.3690476 0.5000000 0.3690476), wk = 0.0043290 k( 170) = ( 0.3571429 0.5000000 0.3571429), wk = 0.0043290 k( 171) = ( 0.3452381 0.5000000 0.3452381), wk = 0.0043290 k( 172) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0043290 k( 173) = ( 0.3214286 0.5000000 0.3214286), wk = 0.0043290 k( 174) = ( 0.3095238 0.5000000 0.3095238), wk = 0.0043290 k( 175) = ( 0.2976190 0.5000000 0.2976190), wk = 0.0043290 k( 176) = ( 0.2857143 0.5000000 0.2857143), wk = 0.0043290 k( 177) = ( 0.2738095 0.5000000 0.2738095), wk = 0.0043290 k( 178) = ( 0.2619048 0.5000000 0.2619048), wk = 0.0043290 k( 179) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0043290 k( 180) = ( 0.2380952 0.5000000 0.2380952), wk = 0.0043290 k( 181) = ( 0.2261905 0.5000000 0.2261905), wk = 0.0043290 k( 182) = ( 0.2142857 0.5000000 0.2142857), wk = 0.0043290 k( 183) = ( 0.2023810 0.5000000 0.2023810), wk = 0.0043290 k( 184) = ( 0.1904762 0.5000000 0.1904762), wk = 0.0043290 k( 185) = ( 0.1785714 0.5000000 0.1785714), wk = 0.0043290 k( 186) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0043290 k( 187) = ( 0.1547619 0.5000000 0.1547619), wk = 0.0043290 k( 188) = ( 0.1428571 0.5000000 0.1428571), wk = 0.0043290 k( 189) = ( 0.1309524 0.5000000 0.1309524), wk = 0.0043290 k( 190) = ( 0.1190476 0.5000000 0.1190476), wk = 0.0043290 k( 191) = ( 0.1071429 0.5000000 0.1071429), wk = 0.0043290 k( 192) = ( 0.0952381 0.5000000 0.0952381), wk = 0.0043290 k( 193) = ( 0.0833333 0.5000000 0.0833333), wk = 0.0043290 k( 194) = ( 0.0714286 0.5000000 0.0714286), wk = 0.0043290 k( 195) = ( 0.0595238 0.5000000 0.0595238), wk = 0.0043290 k( 196) = ( 0.0476191 0.5000000 0.0476191), wk = 0.0043290 k( 197) = ( 0.0357143 0.5000000 0.0357143), wk = 0.0043290 k( 198) = ( 0.0238095 0.5000000 0.0238095), wk = 0.0043290 k( 199) = ( 0.0119048 0.5000000 0.0119048), wk = 0.0043290 k( 200) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0043290 k( 201) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0043290 k( 202) = ( 0.5000000 0.5000000 0.0166667), wk = 0.0043290 k( 203) = ( 0.5000000 0.5000000 0.0333333), wk = 0.0043290 k( 204) = ( 0.5000000 0.5000000 0.0500000), wk = 0.0043290 k( 205) = ( 0.5000000 0.5000000 0.0666667), wk = 0.0043290 k( 206) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0043290 k( 207) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0043290 k( 208) = ( 0.5000000 0.5000000 0.1166667), wk = 0.0043290 k( 209) = ( 0.5000000 0.5000000 0.1333333), wk = 0.0043290 k( 210) = ( 0.5000000 0.5000000 0.1500000), wk = 0.0043290 k( 211) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0043290 k( 212) = ( 0.5000000 0.5000000 0.1833333), wk = 0.0043290 k( 213) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0043290 k( 214) = ( 0.5000000 0.5000000 0.2166667), wk = 0.0043290 k( 215) = ( 0.5000000 0.5000000 0.2333333), wk = 0.0043290 k( 216) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0043290 k( 217) = ( 0.5000000 0.5000000 0.2666667), wk = 0.0043290 k( 218) = ( 0.5000000 0.5000000 0.2833333), wk = 0.0043290 k( 219) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0043290 k( 220) = ( 0.5000000 0.5000000 0.3166667), wk = 0.0043290 k( 221) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0043290 k( 222) = ( 0.5000000 0.5000000 0.3500000), wk = 0.0043290 k( 223) = ( 0.5000000 0.5000000 0.3666667), wk = 0.0043290 k( 224) = ( 0.5000000 0.5000000 0.3833333), wk = 0.0043290 k( 225) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0043290 k( 226) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0043290 k( 227) = ( 0.5000000 0.5000000 0.4333333), wk = 0.0043290 k( 228) = ( 0.5000000 0.5000000 0.4500000), wk = 0.0043290 k( 229) = ( 0.5000000 0.5000000 0.4666667), wk = 0.0043290 k( 230) = ( 0.5000000 0.5000000 0.4833333), wk = 0.0043290 k( 231) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0043290 Dense grid: 282545 G-vectors FFT dimensions: ( 81, 81, 81) Smooth grid: 45025 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.41 Mb ( 328, 82) NL pseudopotentials 0.44 Mb ( 164, 174) Each V/rho on FFT grid 0.30 Mb ( 19683) Each G-vector array 0.06 Mb ( 7851) G-vector shells 0.01 Mb ( 1179) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.64 Mb ( 328, 328) Each subspace H/S matrix 0.10 Mb ( 82, 82) Each matrix 0.44 Mb ( 174, 2, 82) The potential is recalculated from file : ./CdxN2O3x2.save/charge-density.dat Starting wfc are 98 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 5.8 secs Computing kpt #: 2 total cpu time spent up to now is 7.6 secs Computing kpt #: 3 total cpu time spent up to now is 9.1 secs Computing kpt #: 4 total cpu time spent up to now is 10.5 secs Computing kpt #: 5 total cpu time spent up to now is 12.2 secs Computing kpt #: 6 total cpu time spent up to now is 13.7 secs Computing kpt #: 7 total cpu time spent up to now is 15.4 secs Computing kpt #: 8 total cpu time spent up to now is 17.0 secs Computing kpt #: 9 total cpu time spent up to now is 18.6 secs Computing kpt #: 10 total cpu time spent up to now is 20.3 secs Computing kpt #: 11 total cpu time spent up to now is 21.8 secs Computing kpt #: 12 total cpu time spent up to now is 23.4 secs Computing kpt #: 13 total cpu time spent up to now is 25.1 secs Computing kpt #: 14 total cpu time spent up to now is 26.6 secs Computing kpt #: 15 total cpu time spent up to now is 28.3 secs Computing kpt #: 16 total cpu time spent up to now is 29.8 secs Computing kpt #: 17 total cpu time spent up to now is 31.4 secs Computing kpt #: 18 total cpu time spent up to now is 32.4 secs Computing kpt #: 19 total cpu time spent up to now is 33.4 secs Computing kpt #: 20 total cpu time spent up to now is 35.0 secs Computing kpt #: 21 total cpu time spent up to now is 36.7 secs Computing kpt #: 22 total cpu time spent up to now is 37.7 secs Computing kpt #: 23 total cpu time spent up to now is 39.3 secs Computing kpt #: 24 total cpu time spent up to now is 40.8 secs Computing kpt #: 25 total cpu time spent up to now is 41.8 secs Computing kpt #: 26 total cpu time spent up to now is 42.8 secs Computing kpt #: 27 total cpu time spent up to now is 43.7 secs Computing kpt #: 28 total cpu time spent up to now is 44.7 secs Computing kpt #: 29 total cpu time spent up to now is 45.7 secs Computing kpt #: 30 total cpu time spent up to now is 46.6 secs Computing kpt #: 31 total cpu time spent up to now is 47.6 secs Computing kpt #: 32 total cpu time spent up to now is 48.5 secs Computing kpt #: 33 total cpu time spent up to now is 49.5 secs Computing kpt #: 34 total cpu time spent up to now is 50.5 secs Computing kpt #: 35 total cpu time spent up to now is 51.4 secs Computing kpt #: 36 total cpu time spent up to now is 52.4 secs Computing kpt #: 37 total cpu time spent up to now is 53.4 secs Computing kpt #: 38 total cpu time spent up to now is 54.3 secs Computing kpt #: 39 total cpu time spent up to now is 55.3 secs Computing kpt #: 40 total cpu time spent up to now is 56.3 secs Computing kpt #: 41 total cpu time spent up to now is 57.2 secs Computing kpt #: 42 total cpu time spent up to now is 58.2 secs Computing kpt #: 43 total cpu time spent up to now is 59.1 secs Computing kpt #: 44 total cpu time spent up to now is 60.1 secs Computing kpt #: 45 total cpu time spent up to now is 61.1 secs Computing kpt #: 46 total cpu time spent up to now is 62.0 secs Computing kpt #: 47 total cpu time spent up to now is 63.0 secs Computing kpt #: 48 total cpu time spent up to now is 64.0 secs Computing kpt #: 49 total cpu time spent up to now is 65.3 secs Computing kpt #: 50 total cpu time spent up to now is 66.3 secs Computing kpt #: 51 total cpu time spent up to now is 67.2 secs Computing kpt #: 52 total cpu time spent up to now is 68.2 secs Computing kpt #: 53 total cpu time spent up to now is 69.2 secs Computing kpt #: 54 total cpu time spent up to now is 70.1 secs Computing kpt #: 55 total cpu time spent up to now is 71.0 secs Computing kpt #: 56 total cpu time spent up to now is 72.0 secs Computing kpt #: 57 total cpu time spent up to now is 73.0 secs Computing kpt #: 58 total cpu time spent up to now is 73.9 secs Computing kpt #: 59 total cpu time spent up to now is 74.9 secs Computing kpt #: 60 total cpu time spent up to now is 75.8 secs Computing kpt #: 61 total cpu time spent up to now is 76.8 secs Computing kpt #: 62 total cpu time spent up to now is 77.8 secs Computing kpt #: 63 total cpu time spent up to now is 78.8 secs Computing kpt #: 64 total cpu time spent up to now is 79.7 secs Computing kpt #: 65 total cpu time spent up to now is 80.7 secs Computing kpt #: 66 total cpu time spent up to now is 81.6 secs Computing kpt #: 67 total cpu time spent up to now is 82.6 secs Computing kpt #: 68 total cpu time spent up to now is 83.6 secs Computing kpt #: 69 total cpu time spent up to now is 84.5 secs Computing kpt #: 70 total cpu time spent up to now is 85.5 secs Computing kpt #: 71 total cpu time spent up to now is 87.0 secs Computing kpt #: 72 total cpu time spent up to now is 88.0 secs Computing kpt #: 73 total cpu time spent up to now is 89.4 secs Computing kpt #: 74 total cpu time spent up to now is 90.3 secs Computing kpt #: 75 total cpu time spent up to now is 91.3 secs Computing kpt #: 76 total cpu time spent up to now is 92.8 secs Computing kpt #: 77 total cpu time spent up to now is 94.4 secs Computing kpt #: 78 total cpu time spent up to now is 96.0 secs Computing kpt #: 79 total cpu time spent up to now is 97.7 secs Computing kpt #: 80 total cpu time spent up to now is 99.5 secs Computing kpt #: 81 total cpu time spent up to now is 101.1 secs Computing kpt #: 82 total cpu time spent up to now is 102.7 secs Computing kpt #: 83 total cpu time spent up to now is 104.3 secs Computing kpt #: 84 total cpu time spent up to now is 105.9 secs Computing kpt #: 85 total cpu time spent up to now is 107.4 secs Computing kpt #: 86 total cpu time spent up to now is 109.1 secs Computing kpt #: 87 total cpu time spent up to now is 110.7 secs Computing kpt #: 88 total cpu time spent up to now is 112.3 secs Computing kpt #: 89 total cpu time spent up to now is 114.0 secs Computing kpt #: 90 total cpu time spent up to now is 115.7 secs Computing kpt #: 91 total cpu time spent up to now is 117.2 secs Computing kpt #: 92 total cpu time spent up to now is 118.8 secs Computing kpt #: 93 total cpu time spent up to now is 120.4 secs Computing kpt #: 94 total cpu time spent up to now is 122.0 secs Computing kpt #: 95 total cpu time spent up to now is 123.6 secs Computing kpt #: 96 total cpu time spent up to now is 125.1 secs Computing kpt #: 97 total cpu time spent up to now is 126.7 secs Computing kpt #: 98 total cpu time spent up to now is 128.2 secs Computing kpt #: 99 total cpu time spent up to now is 129.8 secs Computing kpt #: 100 total cpu time spent up to now is 131.3 secs Computing kpt #: 101 total cpu time spent up to now is 132.9 secs Computing kpt #: 102 total cpu time spent up to now is 134.5 secs Computing kpt #: 103 total cpu time spent up to now is 136.0 secs Computing kpt #: 104 total cpu time spent up to now is 137.7 secs Computing kpt #: 105 total cpu time spent up to now is 139.2 secs Computing kpt #: 106 total cpu time spent up to now is 140.3 secs Computing kpt #: 107 total cpu time spent up to now is 142.3 secs Computing kpt #: 108 total cpu time spent up to now is 144.0 secs Computing kpt #: 109 total cpu time spent up to now is 145.7 secs Computing kpt #: 110 total cpu time spent up to now is 147.4 secs Computing kpt #: 111 total cpu time spent up to now is 149.1 secs Computing kpt #: 112 total cpu time spent up to now is 150.8 secs Computing kpt #: 113 total cpu time spent up to now is 152.5 secs Computing kpt #: 114 total cpu time spent up to now is 154.2 secs Computing kpt #: 115 total cpu time spent up to now is 155.8 secs Computing kpt #: 116 total cpu time spent up to now is 157.5 secs Computing kpt #: 117 total cpu time spent up to now is 159.2 secs Computing kpt #: 118 total cpu time spent up to now is 160.8 secs Computing kpt #: 119 total cpu time spent up to now is 162.4 secs Computing kpt #: 120 total cpu time spent up to now is 164.2 secs Computing kpt #: 121 total cpu time spent up to now is 165.8 secs Computing kpt #: 122 total cpu time spent up to now is 167.5 secs Computing kpt #: 123 total cpu time spent up to now is 169.1 secs Computing kpt #: 124 total cpu time spent up to now is 170.8 secs Computing kpt #: 125 total cpu time spent up to now is 172.3 secs Computing kpt #: 126 total cpu time spent up to now is 174.0 secs Computing kpt #: 127 total cpu time spent up to now is 175.7 secs Computing kpt #: 128 total cpu time spent up to now is 177.3 secs Computing kpt #: 129 total cpu time spent up to now is 179.1 secs Computing kpt #: 130 total cpu time spent up to now is 180.8 secs Computing kpt #: 131 total cpu time spent up to now is 182.5 secs Computing kpt #: 132 total cpu time spent up to now is 184.4 secs Computing kpt #: 133 total cpu time spent up to now is 186.5 secs Computing kpt #: 134 total cpu time spent up to now is 188.2 secs Computing kpt #: 135 total cpu time spent up to now is 189.8 secs Computing kpt #: 136 total cpu time spent up to now is 191.8 secs Computing kpt #: 137 total cpu time spent up to now is 193.5 secs Computing kpt #: 138 total cpu time spent up to now is 195.6 secs Computing kpt #: 139 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 198.5 secs Computing kpt #: 140 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 201.5 secs Computing kpt #: 141 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 204.4 secs Computing kpt #: 142 total cpu time spent up to now is 206.4 secs Computing kpt #: 143 total cpu time spent up to now is 208.1 secs Computing kpt #: 144 total cpu time spent up to now is 209.8 secs Computing kpt #: 145 total cpu time spent up to now is 212.4 secs Computing kpt #: 146 total cpu time spent up to now is 214.4 secs Computing kpt #: 147 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 217.2 secs Computing kpt #: 148 total cpu time spent up to now is 218.9 secs Computing kpt #: 149 total cpu time spent up to now is 221.5 secs Computing kpt #: 150 total cpu time spent up to now is 222.6 secs Computing kpt #: 151 total cpu time spent up to now is 224.4 secs Computing kpt #: 152 total cpu time spent up to now is 225.5 secs Computing kpt #: 153 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 228.4 secs Computing kpt #: 154 total cpu time spent up to now is 229.4 secs Computing kpt #: 155 total cpu time spent up to now is 230.4 secs Computing kpt #: 156 total cpu time spent up to now is 231.4 secs Computing kpt #: 157 total cpu time spent up to now is 232.4 secs Computing kpt #: 158 total cpu time spent up to now is 233.5 secs Computing kpt #: 159 total cpu time spent up to now is 234.6 secs Computing kpt #: 160 total cpu time spent up to now is 236.4 secs Computing kpt #: 161 total cpu time spent up to now is 237.6 secs Computing kpt #: 162 total cpu time spent up to now is 238.7 secs Computing kpt #: 163 total cpu time spent up to now is 239.7 secs Computing kpt #: 164 total cpu time spent up to now is 240.6 secs Computing kpt #: 165 total cpu time spent up to now is 242.3 secs Computing kpt #: 166 total cpu time spent up to now is 243.2 secs Computing kpt #: 167 total cpu time spent up to now is 244.2 secs Computing kpt #: 168 total cpu time spent up to now is 245.2 secs Computing kpt #: 169 total cpu time spent up to now is 246.8 secs Computing kpt #: 170 total cpu time spent up to now is 248.4 secs Computing kpt #: 171 total cpu time spent up to now is 249.9 secs Computing kpt #: 172 total cpu time spent up to now is 250.9 secs Computing kpt #: 173 total cpu time spent up to now is 252.4 secs Computing kpt #: 174 total cpu time spent up to now is 253.9 secs Computing kpt #: 175 total cpu time spent up to now is 255.1 secs Computing kpt #: 176 total cpu time spent up to now is 256.6 secs Computing kpt #: 177 total cpu time spent up to now is 257.7 secs Computing kpt #: 178 total cpu time spent up to now is 259.3 secs Computing kpt #: 179 total cpu time spent up to now is 260.8 secs Computing kpt #: 180 total cpu time spent up to now is 262.2 secs Computing kpt #: 181 total cpu time spent up to now is 263.5 secs Computing kpt #: 182 total cpu time spent up to now is 264.8 secs Computing kpt #: 183 total cpu time spent up to now is 266.2 secs Computing kpt #: 184 total cpu time spent up to now is 267.5 secs Computing kpt #: 185 total cpu time spent up to now is 268.6 secs Computing kpt #: 186 total cpu time spent up to now is 270.0 secs Computing kpt #: 187 total cpu time spent up to now is 271.0 secs Computing kpt #: 188 total cpu time spent up to now is 272.0 secs Computing kpt #: 189 total cpu time spent up to now is 273.3 secs Computing kpt #: 190 total cpu time spent up to now is 274.5 secs Computing kpt #: 191 total cpu time spent up to now is 275.4 secs Computing kpt #: 192 total cpu time spent up to now is 276.8 secs Computing kpt #: 193 total cpu time spent up to now is 277.8 secs Computing kpt #: 194 total cpu time spent up to now is 278.7 secs Computing kpt #: 195 total cpu time spent up to now is 279.7 secs Computing kpt #: 196 total cpu time spent up to now is 280.7 secs Computing kpt #: 197 total cpu time spent up to now is 281.6 secs Computing kpt #: 198 total cpu time spent up to now is 282.6 secs Computing kpt #: 199 total cpu time spent up to now is 283.5 secs Computing kpt #: 200 total cpu time spent up to now is 284.5 secs Computing kpt #: 201 total cpu time spent up to now is 285.5 secs Computing kpt #: 202 total cpu time spent up to now is 286.4 secs Computing kpt #: 203 total cpu time spent up to now is 287.4 secs Computing kpt #: 204 total cpu time spent up to now is 288.4 secs Computing kpt #: 205 total cpu time spent up to now is 289.3 secs Computing kpt #: 206 total cpu time spent up to now is 290.3 secs Computing kpt #: 207 total cpu time spent up to now is 291.3 secs Computing kpt #: 208 total cpu time spent up to now is 292.8 secs Computing kpt #: 209 total cpu time spent up to now is 293.7 secs Computing kpt #: 210 total cpu time spent up to now is 294.7 secs Computing kpt #: 211 total cpu time spent up to now is 296.0 secs Computing kpt #: 212 total cpu time spent up to now is 297.0 secs Computing kpt #: 213 total cpu time spent up to now is 298.0 secs Computing kpt #: 214 total cpu time spent up to now is 298.9 secs Computing kpt #: 215 total cpu time spent up to now is 299.9 secs Computing kpt #: 216 total cpu time spent up to now is 300.8 secs Computing kpt #: 217 total cpu time spent up to now is 301.8 secs Computing kpt #: 218 total cpu time spent up to now is 302.8 secs Computing kpt #: 219 total cpu time spent up to now is 303.7 secs Computing kpt #: 220 total cpu time spent up to now is 304.7 secs Computing kpt #: 221 total cpu time spent up to now is 305.7 secs Computing kpt #: 222 total cpu time spent up to now is 307.3 secs Computing kpt #: 223 total cpu time spent up to now is 308.3 secs Computing kpt #: 224 total cpu time spent up to now is 309.3 secs Computing kpt #: 225 total cpu time spent up to now is 310.4 secs Computing kpt #: 226 total cpu time spent up to now is 311.5 secs Computing kpt #: 227 total cpu time spent up to now is 312.5 secs Computing kpt #: 228 total cpu time spent up to now is 313.5 secs Computing kpt #: 229 total cpu time spent up to now is 314.6 secs Computing kpt #: 230 total cpu time spent up to now is 315.6 secs Computing kpt #: 231 total cpu time spent up to now is 316.7 secs ethr = 1.47E-08, avg # of iterations = 33.2 total cpu time spent up to now is 316.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5575 PWs) bands (ev): -20.0168 -20.0168 -19.7468 -19.7468 -19.7468 -19.7468 -17.7576 -17.7576 -17.7576 -17.7576 -17.7576 -17.7576 -9.4529 -9.4529 -9.4529 -9.4529 -9.3305 -9.3305 -8.1211 -8.1211 -5.3189 -5.3189 -5.3189 -5.3189 -4.6714 -4.6714 -4.6067 -4.6067 -4.6067 -4.6067 -4.4820 -4.4820 -4.4820 -4.4820 -4.4818 -4.4818 -4.0616 -4.0616 -4.0533 -4.0533 -4.0533 -4.0533 -2.9495 -2.9495 -2.9325 -2.9325 -2.9325 -2.9325 -0.5122 -0.5122 -0.5067 -0.5067 -0.5067 -0.5067 -0.1934 -0.1934 -0.1934 -0.1934 -0.1736 -0.1736 1.5367 1.5367 2.6132 2.6132 2.6261 2.6261 2.6261 2.6261 3.1221 3.1221 3.1417 3.1417 3.1417 3.1417 3.8250 3.8250 3.8250 3.8250 4.1877 4.1877 4.1897 4.1897 k = 0.0000 0.0167-0.0000 ( 5627 PWs) bands (ev): -20.0166 -20.0166 -19.7470 -19.7470 -19.7467 -19.7467 -17.7579 -17.7579 -17.7576 -17.7576 -17.7576 -17.7576 -9.4528 -9.4528 -9.4519 -9.4519 -9.3300 -9.3300 -8.1213 -8.1213 -5.3197 -5.3197 -5.3191 -5.3191 -4.6718 -4.6718 -4.6104 -4.6104 -4.6069 -4.6069 -4.4823 -4.4823 -4.4819 -4.4819 -4.4818 -4.4818 -4.0610 -4.0610 -4.0531 -4.0531 -4.0520 -4.0520 -2.9497 -2.9497 -2.9331 -2.9331 -2.9325 -2.9325 -0.5123 -0.5123 -0.5068 -0.5068 -0.5066 -0.5066 -0.1942 -0.1942 -0.1937 -0.1937 -0.1742 -0.1742 1.5389 1.5389 2.6143 2.6143 2.6269 2.6269 2.6276 2.6276 3.1219 3.1219 3.1411 3.1411 3.1421 3.1421 3.8240 3.8240 3.8273 3.8273 4.1873 4.1873 4.1892 4.1892 k = 0.0000 0.0333-0.0000 ( 5627 PWs) bands (ev): -20.0159 -20.0159 -19.7474 -19.7474 -19.7465 -19.7465 -17.7589 -17.7589 -17.7576 -17.7576 -17.7576 -17.7576 -9.4524 -9.4524 -9.4491 -9.4491 -9.3285 -9.3285 -8.1222 -8.1222 -5.3215 -5.3215 -5.3191 -5.3191 -4.6720 -4.6720 -4.6204 -4.6204 -4.6070 -4.6070 -4.4837 -4.4837 -4.4814 -4.4814 -4.4813 -4.4813 -4.0598 -4.0598 -4.0522 -4.0522 -4.0478 -4.0478 -2.9504 -2.9504 -2.9346 -2.9346 -2.9325 -2.9325 -0.5124 -0.5124 -0.5070 -0.5070 -0.5061 -0.5061 -0.1967 -0.1967 -0.1946 -0.1946 -0.1757 -0.1757 1.5455 1.5455 2.6173 2.6173 2.6294 2.6294 2.6320 2.6320 3.1212 3.1212 3.1396 3.1396 3.1433 3.1433 3.8212 3.8212 3.8344 3.8344 4.1860 4.1860 4.1879 4.1879 k = 0.0000 0.0500-0.0000 ( 5634 PWs) bands (ev): -20.0149 -20.0149 -19.7481 -19.7481 -19.7460 -19.7460 -17.7606 -17.7606 -17.7576 -17.7576 -17.7576 -17.7576 -9.4518 -9.4518 -9.4446 -9.4446 -9.3258 -9.3258 -8.1236 -8.1236 -5.3243 -5.3243 -5.3191 -5.3191 -4.6725 -4.6725 -4.6357 -4.6357 -4.6073 -4.6073 -4.4875 -4.4875 -4.4808 -4.4808 -4.4807 -4.4807 -4.0592 -4.0592 -4.0497 -4.0497 -4.0403 -4.0403 -2.9519 -2.9519 -2.9370 -2.9370 -2.9323 -2.9323 -0.5128 -0.5128 -0.5071 -0.5071 -0.5054 -0.5054 -0.2009 -0.2009 -0.1960 -0.1960 -0.1780 -0.1780 1.5563 1.5563 2.6216 2.6216 2.6342 2.6342 2.6393 2.6393 3.1189 3.1189 3.1381 3.1381 3.1455 3.1455 3.8165 3.8165 3.8462 3.8462 4.1835 4.1835 4.1858 4.1858 k = 0.0000 0.0667-0.0000 ( 5622 PWs) bands (ev): -20.0135 -20.0135 -19.7491 -19.7491 -19.7454 -19.7454 -17.7628 -17.7628 -17.7576 -17.7576 -17.7576 -17.7576 -9.4510 -9.4510 -9.4387 -9.4387 -9.3218 -9.3218 -8.1256 -8.1256 -5.3282 -5.3282 -5.3190 -5.3190 -4.6733 -4.6733 -4.6543 -4.6543 -4.6077 -4.6077 -4.4949 -4.4949 -4.4800 -4.4800 -4.4797 -4.4797 -4.0597 -4.0597 -4.0452 -4.0452 -4.0294 -4.0294 -2.9547 -2.9547 -2.9398 -2.9398 -2.9320 -2.9320 -0.5138 -0.5138 -0.5069 -0.5069 -0.5043 -0.5043 -0.2071 -0.2071 -0.1981 -0.1981 -0.1809 -0.1809 1.5714 1.5714 2.6263 2.6263 2.6420 2.6420 2.6496 2.6496 3.1140 3.1140 3.1378 3.1378 3.1487 3.1487 3.8099 3.8099 3.8623 3.8623 4.1796 4.1796 4.1832 4.1832 k = 0.0000 0.0833-0.0000 ( 5614 PWs) bands (ev): -20.0116 -20.0116 -19.7504 -19.7504 -19.7446 -19.7446 -17.7657 -17.7657 -17.7577 -17.7577 -17.7576 -17.7576 -9.4499 -9.4499 -9.4317 -9.4317 -9.3159 -9.3159 -8.1282 -8.1282 -5.3333 -5.3333 -5.3189 -5.3189 -4.6785 -4.6785 -4.6713 -4.6713 -4.6083 -4.6083 -4.5068 -4.5068 -4.4791 -4.4791 -4.4785 -4.4785 -4.0608 -4.0608 -4.0390 -4.0390 -4.0151 -4.0151 -2.9593 -2.9593 -2.9427 -2.9427 -2.9314 -2.9314 -0.5156 -0.5156 -0.5062 -0.5062 -0.5028 -0.5028 -0.2151 -0.2151 -0.2007 -0.2007 -0.1841 -0.1841 1.5905 1.5905 2.6311 2.6311 2.6528 2.6528 2.6629 2.6629 3.1066 3.1066 3.1386 3.1386 3.1531 3.1531 3.8014 3.8014 3.8824 3.8824 4.1745 4.1745 4.1797 4.1797 k = 0.0000 0.1000-0.0000 ( 5606 PWs) bands (ev): -20.0094 -20.0094 -19.7520 -19.7520 -19.7436 -19.7436 -17.7691 -17.7691 -17.7577 -17.7577 -17.7576 -17.7576 -9.4487 -9.4487 -9.4244 -9.4244 -9.3079 -9.3079 -8.1313 -8.1313 -5.3395 -5.3395 -5.3189 -5.3189 -4.7002 -4.7002 -4.6736 -4.6736 -4.6093 -4.6093 -4.5233 -4.5233 -4.4780 -4.4780 -4.4771 -4.4771 -4.0625 -4.0625 -4.0314 -4.0314 -3.9976 -3.9976 -2.9657 -2.9657 -2.9455 -2.9455 -2.9304 -2.9304 -0.5181 -0.5181 -0.5052 -0.5052 -0.5010 -0.5010 -0.2248 -0.2248 -0.2040 -0.2040 -0.1876 -0.1876 1.6134 1.6134 2.6363 2.6363 2.6662 2.6662 2.6790 2.6790 3.0972 3.0972 3.1402 3.1402 3.1588 3.1588 3.7911 3.7911 3.9060 3.9060 4.1682 4.1682 4.1755 4.1755 k = 0.0000 0.1167-0.0000 ( 5610 PWs) bands (ev): -20.0068 -20.0068 -19.7538 -19.7538 -19.7425 -19.7425 -17.7731 -17.7731 -17.7577 -17.7577 -17.7575 -17.7575 -9.4472 -9.4472 -9.4171 -9.4171 -9.2971 -9.2971 -8.1349 -8.1349 -5.3469 -5.3469 -5.3188 -5.3188 -4.7244 -4.7244 -4.6746 -4.6746 -4.6112 -4.6112 -4.5440 -4.5440 -4.4768 -4.4768 -4.4754 -4.4754 -4.0645 -4.0645 -4.0223 -4.0223 -3.9772 -3.9772 -2.9740 -2.9740 -2.9485 -2.9485 -2.9290 -2.9290 -0.5213 -0.5213 -0.5039 -0.5039 -0.4988 -0.4988 -0.2360 -0.2360 -0.2078 -0.2078 -0.1913 -0.1913 1.6399 1.6399 2.6420 2.6420 2.6819 2.6819 2.6977 2.6977 3.0867 3.0867 3.1423 3.1423 3.1656 3.1656 3.7788 3.7788 3.9327 3.9327 4.1608 4.1608 4.1703 4.1703 k = 0.0000 0.1333-0.0000 ( 5610 PWs) bands (ev): -20.0038 -20.0038 -19.7560 -19.7560 -19.7413 -19.7413 -17.7776 -17.7776 -17.7577 -17.7577 -17.7575 -17.7575 -9.4456 -9.4456 -9.4104 -9.4104 -9.2833 -9.2833 -8.1390 -8.1390 -5.3553 -5.3553 -5.3188 -5.3188 -4.7496 -4.7496 -4.6756 -4.6756 -4.6152 -4.6152 -4.5669 -4.5669 -4.4756 -4.4756 -4.4736 -4.4736 -4.0670 -4.0670 -4.0121 -4.0121 -3.9542 -3.9542 -2.9839 -2.9839 -2.9518 -2.9518 -2.9272 -2.9272 -0.5252 -0.5252 -0.5025 -0.5025 -0.4961 -0.4961 -0.2484 -0.2484 -0.2122 -0.2122 -0.1952 -0.1952 1.6698 1.6698 2.6482 2.6482 2.6994 2.6994 2.7188 2.7188 3.0755 3.0755 3.1448 3.1448 3.1734 3.1734 3.7646 3.7646 3.9620 3.9620 4.1522 4.1522 4.1644 4.1644 k = 0.0000 0.1500-0.0000 ( 5614 PWs) bands (ev): -20.0005 -20.0005 -19.7583 -19.7583 -19.7399 -19.7399 -17.7825 -17.7825 -17.7578 -17.7578 -17.7575 -17.7575 -9.4437 -9.4437 -9.4046 -9.4046 -9.2662 -9.2662 -8.1437 -8.1437 -5.3648 -5.3648 -5.3187 -5.3187 -4.7754 -4.7754 -4.6766 -4.6766 -4.6263 -4.6263 -4.5866 -4.5866 -4.4742 -4.4742 -4.4715 -4.4715 -4.0697 -4.0697 -4.0005 -4.0005 -3.9292 -3.9292 -2.9951 -2.9951 -2.9557 -2.9557 -2.9251 -2.9251 -0.5298 -0.5298 -0.5010 -0.5010 -0.4932 -0.4932 -0.2618 -0.2618 -0.2171 -0.2171 -0.1994 -0.1994 1.7028 1.7028 2.6548 2.6548 2.7184 2.7184 2.7420 2.7420 3.0644 3.0644 3.1477 3.1477 3.1823 3.1823 3.7487 3.7487 3.9931 3.9931 4.1425 4.1425 4.1574 4.1574 k = 0.0000 0.1667-0.0000 ( 5626 PWs) bands (ev): -19.9968 -19.9968 -19.7610 -19.7610 -19.7384 -19.7384 -17.7878 -17.7878 -17.7578 -17.7578 -17.7575 -17.7575 -9.4418 -9.4418 -9.3999 -9.3999 -9.2458 -9.2458 -8.1489 -8.1489 -5.3754 -5.3754 -5.3187 -5.3187 -4.8019 -4.8019 -4.6784 -4.6784 -4.6494 -4.6494 -4.5965 -4.5965 -4.4729 -4.4729 -4.4693 -4.4693 -4.0727 -4.0727 -3.9879 -3.9879 -3.9025 -3.9025 -3.0077 -3.0077 -2.9603 -2.9603 -2.9227 -2.9227 -0.5351 -0.5351 -0.4993 -0.4993 -0.4898 -0.4898 -0.2758 -0.2758 -0.2225 -0.2225 -0.2038 -0.2038 1.7386 1.7386 2.6619 2.6619 2.7383 2.7383 2.7671 2.7671 3.0542 3.0542 3.1509 3.1509 3.1919 3.1919 3.7310 3.7310 4.0255 4.0255 4.1317 4.1317 4.1496 4.1496 k = 0.0000 0.1833-0.0000 ( 5626 PWs) bands (ev): -19.9928 -19.9928 -19.7639 -19.7639 -19.7368 -19.7368 -17.7935 -17.7935 -17.7578 -17.7578 -17.7575 -17.7575 -9.4397 -9.4397 -9.3961 -9.3961 -9.2224 -9.2224 -8.1545 -8.1545 -5.3867 -5.3867 -5.3186 -5.3186 -4.8293 -4.8293 -4.6887 -4.6887 -4.6717 -4.6717 -4.6002 -4.6002 -4.4715 -4.4715 -4.4669 -4.4669 -4.0760 -4.0760 -3.9741 -3.9741 -3.8744 -3.8744 -3.0214 -3.0214 -2.9655 -2.9655 -2.9199 -2.9199 -0.5412 -0.5412 -0.4976 -0.4976 -0.4862 -0.4862 -0.2901 -0.2901 -0.2281 -0.2281 -0.2085 -0.2085 1.7767 1.7767 2.6694 2.6694 2.7583 2.7583 2.7937 2.7937 3.0459 3.0459 3.1546 3.1546 3.2024 3.2024 3.7116 3.7116 4.0587 4.0587 4.1198 4.1198 4.1407 4.1407 k = 0.0000 0.2000-0.0000 ( 5638 PWs) bands (ev): -19.9885 -19.9885 -19.7671 -19.7671 -19.7351 -19.7351 -17.7994 -17.7994 -17.7579 -17.7579 -17.7575 -17.7575 -9.4376 -9.4376 -9.3931 -9.3931 -9.1963 -9.1963 -8.1606 -8.1606 -5.3990 -5.3990 -5.3186 -5.3186 -4.8583 -4.8583 -4.7197 -4.7197 -4.6759 -4.6759 -4.6019 -4.6019 -4.4701 -4.4701 -4.4644 -4.4644 -4.0796 -4.0796 -3.9593 -3.9593 -3.8453 -3.8453 -3.0363 -3.0363 -2.9715 -2.9715 -2.9170 -2.9170 -0.5482 -0.5482 -0.4957 -0.4957 -0.4822 -0.4822 -0.3044 -0.3044 -0.2341 -0.2341 -0.2134 -0.2134 1.8170 1.8170 2.6772 2.6772 2.7771 2.7771 2.8216 2.8216 3.0409 3.0409 3.1588 3.1588 3.2134 3.2134 3.6906 3.6906 4.0918 4.0918 4.1069 4.1069 4.1308 4.1308 k = 0.0000 0.2167-0.0000 ( 5638 PWs) bands (ev): -19.9840 -19.9840 -19.7705 -19.7705 -19.7334 -19.7334 -17.8055 -17.8055 -17.7579 -17.7579 -17.7574 -17.7574 -9.4353 -9.4353 -9.3908 -9.3908 -9.1679 -9.1679 -8.1672 -8.1672 -5.4119 -5.4119 -5.3186 -5.3186 -4.8898 -4.8898 -4.7531 -4.7531 -4.6769 -4.6769 -4.6029 -4.6029 -4.4688 -4.4688 -4.4618 -4.4618 -4.0833 -4.0833 -3.9435 -3.9435 -3.8153 -3.8153 -3.0521 -3.0521 -2.9784 -2.9784 -2.9138 -2.9138 -0.5561 -0.5561 -0.4939 -0.4939 -0.4779 -0.4779 -0.3184 -0.3184 -0.2403 -0.2403 -0.2186 -0.2186 1.8590 1.8590 2.6852 2.6852 2.7933 2.7933 2.8503 2.8503 3.0408 3.0408 3.1635 3.1635 3.2250 3.2250 3.6682 3.6682 4.0929 4.0929 4.1183 4.1183 4.1262 4.1262 k = 0.0000 0.2333-0.0000 ( 5630 PWs) bands (ev): -19.9791 -19.9791 -19.7741 -19.7741 -19.7316 -19.7316 -17.8118 -17.8118 -17.7580 -17.7580 -17.7574 -17.7574 -9.4330 -9.4330 -9.3890 -9.3890 -9.1375 -9.1375 -8.1742 -8.1742 -5.4252 -5.4252 -5.3186 -5.3186 -4.9245 -4.9245 -4.7846 -4.7846 -4.6773 -4.6773 -4.6034 -4.6034 -4.4675 -4.4675 -4.4591 -4.4591 -4.0873 -4.0873 -3.9269 -3.9269 -3.7847 -3.7847 -3.0689 -3.0689 -2.9862 -2.9862 -2.9104 -2.9104 -0.5648 -0.5648 -0.4920 -0.4920 -0.4734 -0.4734 -0.3319 -0.3319 -0.2467 -0.2467 -0.2239 -0.2239 1.9024 1.9024 2.6933 2.6933 2.8051 2.8051 2.8795 2.8795 3.0473 3.0473 3.1689 3.1689 3.2369 3.2369 3.6446 3.6446 4.0780 4.0780 4.1070 4.1070 4.1570 4.1570 k = 0.0000 0.2500-0.0000 ( 5622 PWs) bands (ev): -19.9740 -19.9740 -19.7780 -19.7780 -19.7297 -19.7297 -17.8181 -17.8181 -17.7580 -17.7580 -17.7574 -17.7574 -9.4307 -9.4307 -9.3876 -9.3876 -9.1055 -9.1055 -8.1816 -8.1816 -5.4389 -5.4389 -5.3186 -5.3186 -4.9629 -4.9629 -4.8125 -4.8125 -4.6775 -4.6775 -4.6038 -4.6038 -4.4663 -4.4663 -4.4563 -4.4563 -4.0913 -4.0913 -3.9095 -3.9095 -3.7537 -3.7537 -3.0864 -3.0864 -2.9949 -2.9949 -2.9069 -2.9069 -0.5744 -0.5744 -0.4900 -0.4900 -0.4685 -0.4685 -0.3446 -0.3446 -0.2530 -0.2530 -0.2295 -0.2295 1.9468 1.9468 2.7014 2.7014 2.8116 2.8116 2.9088 2.9088 3.0615 3.0615 3.1752 3.1752 3.2491 3.2491 3.6198 3.6198 4.0622 4.0622 4.0935 4.0935 4.1647 4.1647 k = 0.0000 0.2667-0.0000 ( 5630 PWs) bands (ev): -19.9688 -19.9688 -19.7820 -19.7820 -19.7279 -19.7279 -17.8245 -17.8245 -17.7581 -17.7581 -17.7574 -17.7574 -9.4284 -9.4284 -9.3864 -9.3864 -9.0722 -9.0722 -8.1894 -8.1894 -5.4529 -5.4529 -5.3187 -5.3187 -5.0048 -5.0048 -4.8366 -4.8366 -4.6777 -4.6777 -4.6041 -4.6041 -4.4651 -4.4651 -4.4535 -4.4535 -4.0955 -4.0955 -3.8914 -3.8914 -3.7225 -3.7225 -3.1047 -3.1047 -3.0046 -3.0046 -2.9033 -2.9033 -0.5848 -0.5848 -0.4881 -0.4881 -0.4635 -0.4635 -0.3564 -0.3564 -0.2593 -0.2593 -0.2353 -0.2353 1.9917 1.9917 2.7095 2.7095 2.8127 2.8127 2.9376 2.9376 3.0833 3.0833 3.1826 3.1826 3.2613 3.2613 3.5940 3.5940 4.0454 4.0454 4.0786 4.0786 4.1620 4.1620 k = 0.0000 0.2833-0.0000 ( 5626 PWs) bands (ev): -19.9633 -19.9633 -19.7863 -19.7863 -19.7261 -19.7261 -17.8307 -17.8307 -17.7581 -17.7581 -17.7573 -17.7573 -9.4262 -9.4262 -9.3855 -9.3855 -9.0380 -9.0380 -8.1976 -8.1976 -5.4668 -5.4668 -5.3188 -5.3188 -5.0490 -5.0490 -4.8570 -4.8570 -4.6775 -4.6775 -4.6043 -4.6043 -4.4640 -4.4640 -4.4507 -4.4507 -4.0998 -4.0998 -3.8727 -3.8727 -3.6911 -3.6911 -3.1235 -3.1235 -3.0153 -3.0153 -2.8996 -2.8996 -0.5958 -0.5958 -0.4863 -0.4863 -0.4583 -0.4583 -0.3672 -0.3672 -0.2655 -0.2655 -0.2413 -0.2413 2.0369 2.0369 2.7174 2.7174 2.8095 2.8095 2.9654 2.9654 3.1118 3.1118 3.1915 3.1915 3.2736 3.2736 3.5676 3.5676 4.0279 4.0279 4.0623 4.0623 4.1590 4.1590 k = 0.0000 0.3000-0.0000 ( 5622 PWs) bands (ev): -19.9577 -19.9577 -19.7907 -19.7907 -19.7242 -19.7242 -17.8369 -17.8369 -17.7581 -17.7581 -17.7573 -17.7573 -9.4240 -9.4240 -9.3847 -9.3847 -9.0033 -9.0033 -8.2062 -8.2062 -5.4804 -5.4804 -5.3189 -5.3189 -5.0945 -5.0945 -4.8743 -4.8743 -4.6773 -4.6773 -4.6044 -4.6044 -4.4630 -4.4630 -4.4478 -4.4478 -4.1041 -4.1041 -3.8536 -3.8536 -3.6599 -3.6599 -3.1428 -3.1428 -3.0270 -3.0270 -2.8959 -2.8959 -0.6073 -0.6073 -0.4845 -0.4845 -0.4528 -0.4528 -0.3769 -0.3769 -0.2715 -0.2715 -0.2474 -0.2474 2.0820 2.0820 2.7251 2.7251 2.8031 2.8031 2.9916 2.9916 3.1453 3.1453 3.2021 3.2021 3.2857 3.2857 3.5409 3.5409 4.0096 4.0096 4.0446 4.0446 4.1559 4.1559 k = 0.0000 0.3167-0.0000 ( 5614 PWs) bands (ev): -19.9520 -19.9520 -19.7953 -19.7953 -19.7225 -19.7225 -17.8428 -17.8428 -17.7582 -17.7582 -17.7573 -17.7573 -9.4219 -9.4219 -9.3841 -9.3841 -8.9685 -8.9685 -8.2151 -8.2151 -5.4936 -5.4936 -5.3191 -5.3191 -5.1403 -5.1403 -4.8891 -4.8891 -4.6770 -4.6770 -4.6045 -4.6045 -4.4621 -4.4621 -4.4450 -4.4450 -4.1083 -4.1083 -3.8342 -3.8342 -3.6288 -3.6288 -3.1624 -3.1624 -3.0397 -3.0397 -2.8923 -2.8923 -0.6190 -0.6190 -0.4827 -0.4827 -0.4473 -0.4473 -0.3854 -0.3854 -0.2773 -0.2773 -0.2536 -0.2536 2.1264 2.1264 2.7325 2.7325 2.7948 2.7948 3.0155 3.0155 3.1823 3.1823 3.2150 3.2150 3.2975 3.2975 3.5142 3.5142 3.9908 3.9908 4.0253 4.0253 4.1529 4.1529 k = 0.0000 0.3333-0.0000 ( 5622 PWs) bands (ev): -19.9462 -19.9462 -19.8000 -19.8000 -19.7208 -19.7208 -17.8485 -17.8485 -17.7582 -17.7582 -17.7573 -17.7573 -9.4199 -9.4199 -9.3835 -9.3835 -8.9339 -8.9339 -8.2243 -8.2243 -5.5062 -5.5062 -5.3195 -5.3195 -5.1852 -5.1852 -4.9018 -4.9018 -4.6766 -4.6766 -4.6045 -4.6045 -4.4613 -4.4613 -4.4423 -4.4423 -4.1125 -4.1125 -3.8146 -3.8146 -3.5980 -3.5980 -3.1821 -3.1821 -3.0534 -3.0534 -2.8888 -2.8888 -0.6308 -0.6308 -0.4811 -0.4811 -0.4417 -0.4417 -0.3929 -0.3929 -0.2827 -0.2827 -0.2599 -0.2599 2.1699 2.1699 2.7396 2.7396 2.7856 2.7856 3.0365 3.0365 3.2202 3.2202 3.2313 3.2313 3.3089 3.3089 3.4884 3.4884 3.9715 3.9715 4.0043 4.0043 4.1499 4.1499 k = 0.0000 0.3500-0.0000 ( 5614 PWs) bands (ev): -19.9404 -19.9404 -19.8048 -19.8048 -19.7192 -19.7192 -17.8539 -17.8539 -17.7583 -17.7583 -17.7573 -17.7573 -9.4181 -9.4181 -9.3830 -9.3830 -8.9001 -8.9001 -8.2337 -8.2337 -5.5179 -5.5179 -5.3200 -5.3200 -5.2285 -5.2285 -4.9126 -4.9126 -4.6761 -4.6761 -4.6045 -4.6045 -4.4605 -4.4605 -4.4397 -4.4397 -4.1165 -4.1165 -3.7951 -3.7951 -3.5678 -3.5678 -3.2017 -3.2017 -3.0680 -3.0680 -2.8853 -2.8853 -0.6424 -0.6424 -0.4796 -0.4796 -0.4360 -0.4360 -0.3994 -0.3994 -0.2878 -0.2878 -0.2662 -0.2662 2.2119 2.2119 2.7462 2.7462 2.7760 2.7760 3.0544 3.0544 3.2457 3.2457 3.2629 3.2629 3.3196 3.3196 3.4646 3.4646 3.9519 3.9519 3.9817 3.9817 4.1470 4.1470 k = 0.0000 0.3667-0.0000 ( 5622 PWs) bands (ev): -19.9346 -19.9346 -19.8096 -19.8096 -19.7177 -19.7177 -17.8588 -17.8588 -17.7583 -17.7583 -17.7572 -17.7572 -9.4164 -9.4164 -9.3826 -9.3826 -8.8674 -8.8674 -8.2432 -8.2432 -5.5286 -5.5286 -5.3213 -5.3213 -5.2688 -5.2688 -4.9219 -4.9219 -4.6757 -4.6757 -4.6046 -4.6046 -4.4598 -4.4598 -4.4373 -4.4373 -4.1203 -4.1203 -3.7758 -3.7758 -3.5383 -3.5383 -3.2209 -3.2209 -3.0835 -3.0835 -2.8821 -2.8821 -0.6534 -0.6534 -0.4782 -0.4782 -0.4305 -0.4305 -0.4050 -0.4050 -0.2925 -0.2925 -0.2724 -0.2724 2.2520 2.2520 2.7522 2.7522 2.7667 2.7667 3.0691 3.0691 3.2655 3.2655 3.2992 3.2992 3.3296 3.3296 3.4457 3.4457 3.9322 3.9322 3.9572 3.9572 4.1442 4.1442 k = 0.0000 0.3833-0.0000 ( 5618 PWs) bands (ev): -19.9289 -19.9289 -19.8144 -19.8144 -19.7164 -19.7164 -17.8633 -17.8633 -17.7583 -17.7583 -17.7572 -17.7572 -9.4149 -9.4149 -9.3822 -9.3822 -8.8363 -8.8363 -8.2527 -8.2527 -5.5381 -5.5381 -5.3267 -5.3267 -5.3020 -5.3020 -4.9298 -4.9298 -4.6752 -4.6752 -4.6045 -4.6045 -4.4592 -4.4592 -4.4350 -4.4350 -4.1238 -4.1238 -3.7571 -3.7571 -3.5097 -3.5097 -3.2394 -3.2394 -3.0997 -3.0997 -2.8791 -2.8791 -0.6638 -0.6638 -0.4769 -0.4769 -0.4252 -0.4252 -0.4094 -0.4094 -0.2966 -0.2966 -0.2785 -0.2785 2.2897 2.2897 2.7569 2.7569 2.7586 2.7586 3.0808 3.0808 3.2863 3.2863 3.3258 3.3258 3.3389 3.3389 3.4388 3.4388 3.9128 3.9128 3.9310 3.9310 4.1416 4.1416 k = 0.0000 0.4000-0.0000 ( 5618 PWs) bands (ev): -19.9234 -19.9234 -19.8192 -19.8192 -19.7151 -19.7151 -17.8674 -17.8674 -17.7584 -17.7584 -17.7572 -17.7572 -9.4136 -9.4136 -9.3818 -9.3818 -8.8075 -8.8075 -8.2620 -8.2620 -5.5462 -5.5462 -5.3495 -5.3495 -5.3144 -5.3144 -4.9364 -4.9364 -4.6747 -4.6747 -4.6045 -4.6045 -4.4587 -4.4587 -4.4329 -4.4329 -4.1270 -4.1270 -3.7392 -3.7392 -3.4824 -3.4824 -3.2567 -3.2567 -3.1165 -3.1165 -2.8765 -2.8765 -0.6732 -0.6732 -0.4758 -0.4758 -0.4208 -0.4208 -0.4124 -0.4124 -0.3003 -0.3003 -0.2844 -0.2844 2.3244 2.3244 2.7497 2.7497 2.7627 2.7627 3.0900 3.0900 3.3074 3.3074 3.3324 3.3324 3.3476 3.3476 3.4535 3.4535 3.8939 3.8939 3.9030 3.9030 4.1392 4.1392 k = 0.0000 0.4167-0.0000 ( 5626 PWs) bands (ev): -19.9182 -19.9182 -19.8237 -19.8237 -19.7141 -19.7141 -17.8708 -17.8708 -17.7584 -17.7584 -17.7572 -17.7572 -9.4125 -9.4125 -9.3815 -9.3815 -8.7815 -8.7815 -8.2708 -8.2708 -5.5528 -5.5528 -5.3786 -5.3786 -5.3166 -5.3166 -4.9418 -4.9418 -4.6743 -4.6743 -4.6045 -4.6045 -4.4583 -4.4583 -4.4311 -4.4311 -4.1299 -4.1299 -3.7226 -3.7226 -3.4569 -3.4569 -3.2724 -3.2724 -3.1336 -3.1336 -2.8741 -2.8741 -0.6815 -0.6815 -0.4748 -0.4748 -0.4197 -0.4197 -0.4118 -0.4118 -0.3034 -0.3034 -0.2900 -0.2900 2.3554 2.3554 2.7426 2.7426 2.7669 2.7669 3.0970 3.0970 3.3232 3.3232 3.3284 3.3284 3.3549 3.3549 3.4861 3.4861 3.8719 3.8719 3.8773 3.8773 4.1371 4.1371 k = 0.0000 0.4333-0.0000 ( 5634 PWs) bands (ev): -19.9134 -19.9134 -19.8279 -19.8279 -19.7132 -19.7132 -17.8738 -17.8738 -17.7584 -17.7584 -17.7572 -17.7572 -9.4116 -9.4116 -9.3812 -9.3812 -8.7588 -8.7588 -8.2789 -8.2789 -5.5579 -5.5579 -5.4046 -5.4046 -5.3174 -5.3174 -4.9462 -4.9462 -4.6740 -4.6740 -4.6045 -4.6045 -4.4579 -4.4579 -4.4295 -4.4295 -4.1323 -4.1323 -3.7078 -3.7078 -3.4339 -3.4339 -3.2857 -3.2857 -3.1504 -3.1504 -2.8721 -2.8721 -0.6885 -0.6885 -0.4740 -0.4740 -0.4213 -0.4213 -0.4083 -0.4083 -0.3058 -0.3058 -0.2950 -0.2950 2.3822 2.3822 2.7367 2.7367 2.7704 2.7704 3.1023 3.1023 3.3100 3.3100 3.3468 3.3468 3.3610 3.3610 3.5259 3.5259 3.8404 3.8404 3.8609 3.8609 4.1353 4.1353 k = 0.0000 0.4500-0.0000 ( 5626 PWs) bands (ev): -19.9093 -19.9093 -19.8316 -19.8316 -19.7125 -19.7125 -17.8760 -17.8760 -17.7584 -17.7584 -17.7572 -17.7572 -9.4109 -9.4109 -9.3810 -9.3810 -8.7403 -8.7403 -8.2858 -8.2858 -5.5614 -5.5614 -5.4259 -5.4259 -5.3177 -5.3177 -4.9495 -4.9495 -4.6736 -4.6736 -4.6044 -4.6044 -4.4576 -4.4576 -4.4283 -4.4283 -4.1342 -4.1342 -3.6953 -3.6953 -3.4144 -3.4144 -3.2957 -3.2957 -3.1662 -3.1662 -2.8705 -2.8705 -0.6941 -0.6941 -0.4734 -0.4734 -0.4230 -0.4230 -0.4047 -0.4047 -0.3076 -0.3076 -0.2995 -0.2995 2.4040 2.4040 2.7320 2.7320 2.7732 2.7732 3.1062 3.1062 3.2967 3.2967 3.3629 3.3629 3.3658 3.3658 3.5680 3.5680 3.8066 3.8066 3.8472 3.8472 4.1339 4.1339 k = 0.0000 0.4667-0.0000 ( 5646 PWs) bands (ev): -19.9061 -19.9061 -19.8345 -19.8345 -19.7120 -19.7120 -17.8777 -17.8777 -17.7584 -17.7584 -17.7572 -17.7572 -9.4104 -9.4104 -9.3808 -9.3808 -8.7264 -8.7264 -8.2912 -8.2912 -5.5637 -5.5637 -5.4418 -5.4418 -5.3180 -5.3180 -4.9519 -4.9519 -4.6735 -4.6735 -4.6045 -4.6045 -4.4574 -4.4574 -4.4274 -4.4274 -4.1356 -4.1356 -3.6857 -3.6857 -3.3998 -3.3998 -3.3020 -3.3020 -3.1798 -3.1798 -2.8694 -2.8694 -0.6982 -0.6982 -0.4730 -0.4730 -0.4243 -0.4243 -0.4018 -0.4018 -0.3088 -0.3088 -0.3031 -0.3031 2.4201 2.4201 2.7286 2.7286 2.7752 2.7752 3.1088 3.1088 3.2861 3.2861 3.3692 3.3692 3.3754 3.3754 3.6104 3.6104 3.7708 3.7708 3.8368 3.8368 4.1328 4.1328 k = 0.0000 0.4833-0.0000 ( 5622 PWs) bands (ev): -19.9040 -19.9040 -19.8364 -19.8364 -19.7117 -19.7117 -17.8787 -17.8787 -17.7584 -17.7584 -17.7572 -17.7572 -9.4101 -9.4101 -9.3807 -9.3807 -8.7179 -8.7179 -8.2946 -8.2946 -5.5648 -5.5648 -5.4517 -5.4517 -5.3180 -5.3180 -4.9532 -4.9532 -4.6732 -4.6732 -4.6044 -4.6044 -4.4573 -4.4573 -4.4268 -4.4268 -4.1365 -4.1365 -3.6797 -3.6797 -3.3910 -3.3910 -3.3045 -3.3045 -3.1894 -3.1894 -2.8687 -2.8687 -0.7007 -0.7007 -0.4727 -0.4727 -0.4250 -0.4250 -0.3999 -0.3999 -0.3091 -0.3091 -0.3056 -0.3056 2.4301 2.4301 2.7265 2.7265 2.7764 2.7764 3.1103 3.1103 3.2793 3.2793 3.3713 3.3713 3.3833 3.3833 3.6521 3.6521 3.7335 3.7335 3.8302 3.8302 4.1322 4.1322 k = 0.0000 0.5000-0.0000 ( 5622 PWs) bands (ev): -19.9032 -19.9032 -19.8370 -19.8370 -19.7116 -19.7116 -17.8790 -17.8790 -17.7584 -17.7584 -17.7572 -17.7572 -9.4100 -9.4100 -9.3807 -9.3807 -8.7150 -8.7150 -8.2958 -8.2958 -5.5651 -5.5651 -5.4550 -5.4550 -5.3180 -5.3180 -4.9536 -4.9536 -4.6732 -4.6732 -4.6044 -4.6044 -4.4573 -4.4573 -4.4267 -4.4267 -4.1367 -4.1367 -3.6777 -3.6777 -3.3881 -3.3881 -3.3050 -3.3050 -3.1930 -3.1930 -2.8684 -2.8684 -0.7015 -0.7015 -0.4726 -0.4726 -0.4253 -0.4253 -0.3993 -0.3993 -0.3091 -0.3091 -0.3066 -0.3066 2.4334 2.4334 2.7258 2.7258 2.7768 2.7768 3.1108 3.1108 3.2769 3.2769 3.3720 3.3720 3.3860 3.3860 3.6863 3.6863 3.7006 3.7006 3.8279 3.8279 4.1320 4.1320 k = 0.0000 0.5000-0.0000 ( 5622 PWs) bands (ev): -19.9032 -19.9032 -19.8370 -19.8370 -19.7116 -19.7116 -17.8790 -17.8790 -17.7584 -17.7584 -17.7572 -17.7572 -9.4100 -9.4100 -9.3807 -9.3807 -8.7150 -8.7150 -8.2958 -8.2958 -5.5651 -5.5651 -5.4550 -5.4550 -5.3180 -5.3180 -4.9536 -4.9536 -4.6732 -4.6732 -4.6044 -4.6044 -4.4573 -4.4573 -4.4267 -4.4267 -4.1367 -4.1367 -3.6777 -3.6777 -3.3881 -3.3881 -3.3050 -3.3050 -3.1930 -3.1930 -2.8684 -2.8684 -0.7015 -0.7015 -0.4726 -0.4726 -0.4253 -0.4253 -0.3993 -0.3993 -0.3091 -0.3091 -0.3066 -0.3066 2.4334 2.4334 2.7258 2.7258 2.7768 2.7768 3.1108 3.1108 3.2769 3.2769 3.3720 3.3720 3.3860 3.3860 3.6863 3.6863 3.7006 3.7006 3.8279 3.8279 4.1320 4.1320 k = 0.0167 0.5000-0.0000 ( 5626 PWs) bands (ev): -19.9030 -19.9030 -19.8370 -19.8370 -19.7116 -19.7116 -17.8791 -17.8791 -17.7584 -17.7584 -17.7575 -17.7575 -9.4098 -9.4098 -9.3792 -9.3792 -8.7149 -8.7149 -8.2960 -8.2960 -5.5652 -5.5652 -5.4552 -5.4552 -5.3185 -5.3185 -4.9535 -4.9535 -4.6732 -4.6732 -4.6066 -4.6066 -4.4590 -4.4590 -4.4267 -4.4267 -4.1359 -4.1359 -3.6832 -3.6832 -3.3821 -3.3821 -3.3034 -3.3034 -3.1928 -3.1928 -2.8691 -2.8691 -0.7025 -0.7025 -0.4734 -0.4734 -0.4255 -0.4255 -0.3991 -0.3991 -0.3096 -0.3096 -0.3056 -0.3056 2.4352 2.4352 2.7268 2.7268 2.7767 2.7767 3.1115 3.1115 3.2774 3.2774 3.3721 3.3721 3.3862 3.3862 3.6868 3.6868 3.7010 3.7010 3.8278 3.8278 4.1317 4.1317 k = 0.0333 0.5000-0.0000 ( 5628 PWs) bands (ev): -19.9024 -19.9024 -19.8370 -19.8370 -19.7118 -19.7118 -17.8791 -17.8791 -17.7585 -17.7585 -17.7584 -17.7584 -9.4095 -9.4095 -9.3749 -9.3749 -8.7146 -8.7146 -8.2967 -8.2967 -5.5654 -5.5654 -5.4559 -5.4559 -5.3197 -5.3197 -4.9532 -4.9532 -4.6734 -4.6734 -4.6128 -4.6128 -4.4641 -4.4641 -4.4266 -4.4266 -4.1335 -4.1335 -3.6985 -3.6985 -3.3664 -3.3664 -3.2978 -3.2978 -3.1921 -3.1921 -2.8712 -2.8712 -0.7056 -0.7056 -0.4759 -0.4759 -0.4262 -0.4262 -0.3987 -0.3987 -0.3111 -0.3111 -0.3027 -0.3027 2.4403 2.4403 2.7296 2.7296 2.7764 2.7764 3.1135 3.1135 3.2790 3.2790 3.3721 3.3721 3.3869 3.3869 3.6881 3.6881 3.7019 3.7019 3.8273 3.8273 4.1309 4.1309 k = 0.0500 0.5000-0.0000 ( 5634 PWs) bands (ev): -19.9014 -19.9014 -19.8369 -19.8369 -19.7121 -19.7121 -17.8793 -17.8793 -17.7601 -17.7601 -17.7584 -17.7584 -9.4088 -9.4088 -9.3678 -9.3678 -8.7142 -8.7142 -8.2979 -8.2979 -5.5657 -5.5657 -5.4569 -5.4569 -5.3218 -5.3218 -4.9527 -4.9527 -4.6737 -4.6737 -4.6231 -4.6231 -4.4727 -4.4727 -4.4266 -4.4266 -4.1296 -4.1296 -3.7201 -3.7201 -3.3467 -3.3467 -3.2858 -3.2858 -3.1910 -3.1910 -2.8746 -2.8746 -0.7106 -0.7106 -0.4801 -0.4801 -0.4273 -0.4273 -0.3980 -0.3980 -0.3135 -0.3135 -0.2979 -0.2979 2.4488 2.4488 2.7343 2.7343 2.7759 2.7759 3.1169 3.1169 3.2815 3.2815 3.3721 3.3721 3.3879 3.3879 3.6904 3.6904 3.7034 3.7034 3.8265 3.8265 4.1296 4.1296 k = 0.0667 0.5000-0.0000 ( 5636 PWs) bands (ev): -19.8999 -19.8999 -19.8368 -19.8368 -19.7124 -19.7124 -17.8795 -17.8795 -17.7624 -17.7624 -17.7584 -17.7584 -9.4079 -9.4079 -9.3579 -9.3579 -8.7135 -8.7135 -8.2995 -8.2995 -5.5661 -5.5661 -5.4584 -5.4584 -5.3248 -5.3248 -4.9519 -4.9519 -4.6742 -4.6742 -4.6370 -4.6370 -4.4851 -4.4851 -4.4266 -4.4266 -4.1241 -4.1241 -3.7451 -3.7451 -3.3298 -3.3298 -3.2636 -3.2636 -3.1894 -3.1894 -2.8793 -2.8793 -0.7173 -0.7173 -0.4859 -0.4859 -0.4286 -0.4286 -0.3971 -0.3971 -0.3169 -0.3169 -0.2916 -0.2916 2.4605 2.4605 2.7408 2.7408 2.7754 2.7754 3.1215 3.1215 3.2849 3.2849 3.3722 3.3722 3.3894 3.3894 3.6937 3.6937 3.7053 3.7053 3.8255 3.8255 4.1279 4.1279 k = 0.0833 0.5000-0.0000 ( 5636 PWs) bands (ev): -19.8981 -19.8981 -19.8367 -19.8367 -19.7129 -19.7129 -17.8797 -17.8797 -17.7652 -17.7652 -17.7584 -17.7584 -9.4068 -9.4068 -9.3453 -9.3453 -8.7127 -8.7127 -8.3016 -8.3016 -5.5667 -5.5667 -5.4603 -5.4603 -5.3285 -5.3285 -4.9509 -4.9509 -4.6749 -4.6749 -4.6539 -4.6539 -4.5012 -4.5012 -4.4266 -4.4266 -4.1172 -4.1172 -3.7712 -3.7712 -3.3178 -3.3178 -3.2317 -3.2317 -3.1871 -3.1871 -2.8854 -2.8854 -0.7256 -0.7256 -0.4933 -0.4933 -0.4301 -0.4301 -0.3962 -0.3962 -0.3212 -0.3212 -0.2837 -0.2837 2.4751 2.4751 2.7491 2.7491 2.7748 2.7748 3.1275 3.1275 3.2893 3.2893 3.3721 3.3721 3.3912 3.3912 3.6982 3.6982 3.7073 3.7073 3.8241 3.8241 4.1259 4.1259 k = 0.1000 0.5000-0.0000 ( 5632 PWs) bands (ev): -19.8958 -19.8958 -19.8365 -19.8365 -19.7135 -19.7135 -17.8800 -17.8800 -17.7686 -17.7686 -17.7584 -17.7584 -9.4054 -9.4054 -9.3300 -9.3300 -8.7117 -8.7117 -8.3041 -8.3041 -5.5674 -5.5674 -5.4625 -5.4625 -5.3331 -5.3331 -4.9498 -4.9498 -4.6789 -4.6789 -4.6705 -4.6705 -4.5211 -4.5211 -4.4265 -4.4265 -4.1088 -4.1088 -3.7970 -3.7970 -3.3084 -3.3084 -3.1960 -3.1960 -3.1820 -3.1820 -2.8927 -2.8927 -0.7350 -0.7350 -0.5022 -0.5022 -0.4318 -0.4318 -0.3953 -0.3953 -0.3262 -0.3262 -0.2747 -0.2747 2.4925 2.4925 2.7590 2.7590 2.7744 2.7744 3.1346 3.1346 3.2945 3.2945 3.3719 3.3719 3.3935 3.3935 3.7039 3.7039 3.7093 3.7093 3.8224 3.8224 4.1239 4.1239 k = 0.1167 0.5000-0.0000 ( 5630 PWs) bands (ev): -19.8932 -19.8932 -19.8363 -19.8363 -19.7142 -19.7142 -17.8803 -17.8803 -17.7726 -17.7726 -17.7584 -17.7584 -9.4039 -9.4039 -9.3123 -9.3123 -8.7106 -8.7106 -8.3070 -8.3070 -5.5682 -5.5682 -5.4650 -5.4650 -5.3386 -5.3386 -4.9484 -4.9484 -4.6988 -4.6988 -4.6741 -4.6741 -4.5447 -4.5447 -4.4265 -4.4265 -4.0991 -4.0991 -3.8217 -3.8217 -3.2998 -3.2998 -3.1840 -3.1840 -3.1495 -3.1495 -2.9013 -2.9013 -0.7456 -0.7456 -0.5125 -0.5125 -0.4335 -0.4335 -0.3945 -0.3945 -0.3321 -0.3321 -0.2648 -0.2648 2.5122 2.5122 2.7705 2.7705 2.7742 2.7742 3.1429 3.1429 3.3005 3.3005 3.3715 3.3715 3.3960 3.3960 3.7104 3.7104 3.7117 3.7117 3.8204 3.8204 4.1220 4.1220 k = 0.1333 0.5000-0.0000 ( 5638 PWs) bands (ev): -19.8902 -19.8902 -19.8361 -19.8361 -19.7151 -19.7151 -17.8807 -17.8807 -17.7770 -17.7770 -17.7584 -17.7584 -9.4021 -9.4021 -9.2921 -9.2921 -8.7094 -8.7094 -8.3102 -8.3102 -5.5692 -5.5692 -5.4679 -5.4679 -5.3449 -5.3449 -4.9470 -4.9470 -4.7238 -4.7238 -4.6749 -4.6749 -4.5717 -4.5717 -4.4264 -4.4264 -4.0883 -4.0883 -3.8446 -3.8446 -3.2913 -3.2913 -3.1801 -3.1801 -3.1066 -3.1066 -2.9111 -2.9111 -0.7569 -0.7569 -0.5242 -0.5242 -0.4352 -0.4352 -0.3938 -0.3938 -0.3386 -0.3386 -0.2541 -0.2541 2.5340 2.5340 2.7742 2.7742 2.7834 2.7834 3.1523 3.1523 3.3073 3.3073 3.3709 3.3709 3.3989 3.3989 3.7118 3.7118 3.7200 3.7200 3.8181 3.8181 4.1203 4.1203 k = 0.1500 0.5000-0.0000 ( 5634 PWs) bands (ev): -19.8868 -19.8868 -19.8358 -19.8358 -19.7161 -19.7161 -17.8811 -17.8811 -17.7819 -17.7819 -17.7584 -17.7584 -9.4001 -9.4001 -9.2696 -9.2696 -8.7080 -8.7080 -8.3138 -8.3138 -5.5703 -5.5703 -5.4709 -5.4709 -5.3519 -5.3519 -4.9454 -4.9454 -4.7513 -4.7513 -4.6756 -4.6756 -4.6015 -4.6015 -4.4263 -4.4263 -4.0763 -4.0763 -3.8654 -3.8654 -3.2827 -3.2827 -3.1762 -3.1762 -3.0625 -3.0625 -2.9220 -2.9220 -0.7687 -0.7687 -0.5372 -0.5372 -0.4369 -0.4369 -0.3934 -0.3934 -0.3457 -0.3457 -0.2428 -0.2428 2.5575 2.5575 2.7748 2.7748 2.7977 2.7977 3.1627 3.1627 3.3146 3.3146 3.3698 3.3698 3.4021 3.4021 3.7118 3.7118 3.7306 3.7306 3.8155 3.8155 4.1192 4.1192 k = 0.1667 0.5000-0.0000 ( 5630 PWs) bands (ev): -19.8831 -19.8831 -19.8356 -19.8356 -19.7172 -19.7172 -17.8816 -17.8816 -17.7872 -17.7872 -17.7583 -17.7583 -9.3980 -9.3980 -9.2450 -9.2450 -8.7065 -8.7065 -8.3176 -8.3176 -5.5715 -5.5715 -5.4742 -5.4742 -5.3598 -5.3598 -4.9436 -4.9436 -4.7813 -4.7813 -4.6766 -4.6766 -4.6330 -4.6330 -4.4263 -4.4263 -4.0632 -4.0632 -3.8841 -3.8841 -3.2737 -3.2737 -3.1718 -3.1718 -3.0181 -3.0181 -2.9340 -2.9340 -0.7810 -0.7810 -0.5513 -0.5513 -0.4384 -0.4384 -0.3932 -0.3932 -0.3533 -0.3533 -0.2313 -0.2313 2.5824 2.5824 2.7759 2.7759 2.8132 2.8132 3.1740 3.1740 3.3225 3.3225 3.3684 3.3684 3.4056 3.4056 3.7106 3.7106 3.7432 3.7432 3.8126 3.8126 4.1187 4.1187 k = 0.1833 0.5000-0.0000 ( 5630 PWs) bands (ev): -19.8792 -19.8792 -19.8353 -19.8353 -19.7184 -19.7184 -17.8820 -17.8820 -17.7928 -17.7928 -17.7583 -17.7583 -9.3957 -9.3957 -9.2186 -9.2186 -8.7049 -8.7049 -8.3217 -8.3217 -5.5730 -5.5730 -5.4777 -5.4777 -5.3683 -5.3683 -4.9419 -4.9419 -4.8137 -4.8137 -4.6807 -4.6807 -4.6625 -4.6625 -4.4262 -4.4262 -4.0493 -4.0493 -3.9006 -3.9006 -3.2646 -3.2646 -3.1669 -3.1669 -2.9740 -2.9740 -2.9471 -2.9471 -0.7934 -0.7934 -0.5664 -0.5664 -0.4398 -0.4398 -0.3934 -0.3934 -0.3611 -0.3611 -0.2195 -0.2195 2.6081 2.6081 2.7777 2.7777 2.8297 2.8297 3.1861 3.1861 3.3307 3.3307 3.3664 3.3664 3.4092 3.4092 3.7079 3.7079 3.7580 3.7580 3.8094 3.8094 4.1191 4.1191 k = 0.2000 0.5000-0.0000 ( 5638 PWs) bands (ev): -19.8749 -19.8749 -19.8350 -19.8350 -19.7198 -19.7198 -17.8825 -17.8825 -17.7987 -17.7987 -17.7583 -17.7583 -9.3933 -9.3933 -9.1903 -9.1903 -8.7033 -8.7033 -8.3260 -8.3260 -5.5746 -5.5746 -5.4813 -5.4813 -5.3776 -5.3776 -4.9403 -4.9403 -4.8489 -4.8489 -4.7039 -4.7039 -4.6729 -4.6729 -4.4261 -4.4261 -4.0347 -4.0347 -3.9150 -3.9150 -3.2554 -3.2554 -3.1615 -3.1615 -2.9611 -2.9611 -2.9305 -2.9305 -0.8060 -0.8060 -0.5824 -0.5824 -0.4410 -0.4410 -0.3942 -0.3942 -0.3690 -0.3690 -0.2078 -0.2078 2.6345 2.6345 2.7802 2.7802 2.8471 2.8471 3.1990 3.1990 3.3392 3.3392 3.3639 3.3639 3.4131 3.4131 3.7035 3.7035 3.7750 3.7750 3.8060 3.8060 4.1204 4.1204 k = 0.2167 0.5000-0.0000 ( 5638 PWs) bands (ev): -19.8703 -19.8703 -19.8347 -19.8347 -19.7214 -19.7214 -17.8830 -17.8830 -17.8048 -17.8048 -17.7583 -17.7583 -9.3908 -9.3908 -9.1606 -9.1606 -8.7016 -8.7016 -8.3305 -8.3305 -5.5765 -5.5765 -5.4850 -5.4850 -5.3874 -5.3874 -4.9393 -4.9393 -4.8865 -4.8865 -4.7348 -4.7348 -4.6742 -4.6742 -4.4260 -4.4260 -4.0195 -4.0195 -3.9274 -3.9274 -3.2464 -3.2464 -3.1554 -3.1554 -2.9759 -2.9759 -2.8880 -2.8880 -0.8184 -0.8184 -0.5990 -0.5990 -0.4421 -0.4421 -0.3959 -0.3959 -0.3764 -0.3764 -0.1961 -0.1961 2.6610 2.6610 2.7835 2.7835 2.8652 2.8652 3.2124 3.2124 3.3476 3.3476 3.3612 3.3612 3.4171 3.4171 3.6973 3.6973 3.7937 3.7937 3.8031 3.8031 4.1228 4.1228 k = 0.2333 0.5000-0.0000 ( 5638 PWs) bands (ev): -19.8655 -19.8655 -19.8344 -19.8344 -19.7231 -19.7231 -17.8836 -17.8836 -17.8110 -17.8110 -17.7583 -17.7583 -9.3882 -9.3882 -9.1297 -9.1297 -8.6999 -8.6999 -8.3351 -8.3351 -5.5785 -5.5785 -5.4887 -5.4887 -5.3975 -5.3975 -4.9443 -4.9443 -4.9214 -4.9214 -4.7645 -4.7645 -4.6745 -4.6745 -4.4259 -4.4259 -4.0041 -4.0041 -3.9375 -3.9375 -3.2375 -3.2375 -3.1487 -3.1487 -2.9914 -2.9914 -2.8467 -2.8467 -0.8306 -0.8306 -0.6162 -0.6162 -0.4430 -0.4430 -0.3993 -0.3993 -0.3825 -0.3825 -0.1847 -0.1847 2.6874 2.6874 2.7876 2.7876 2.8838 2.8838 3.2264 3.2264 3.3529 3.3529 3.3609 3.3609 3.4211 3.4211 3.6894 3.6894 3.7972 3.7972 3.8178 3.8178 4.1262 4.1262 k = 0.2500 0.5000-0.0000 ( 5660 PWs) bands (ev): -19.8605 -19.8605 -19.8341 -19.8341 -19.7250 -19.7250 -17.8841 -17.8841 -17.8173 -17.8173 -17.7582 -17.7582 -9.3855 -9.3855 -9.0978 -9.0978 -8.6982 -8.6982 -8.3398 -8.3398 -5.5809 -5.5809 -5.4924 -5.4924 -5.4081 -5.4081 -4.9788 -4.9788 -4.9298 -4.9298 -4.7921 -4.7921 -4.6746 -4.6746 -4.4258 -4.4258 -3.9895 -3.9895 -3.9450 -3.9450 -3.2291 -3.2291 -3.1413 -3.1413 -3.0076 -3.0076 -2.8069 -2.8069 -0.8426 -0.8426 -0.6338 -0.6338 -0.4438 -0.4438 -0.4049 -0.4049 -0.3866 -0.3866 -0.1735 -0.1735 2.7133 2.7133 2.7926 2.7926 2.9029 2.9029 3.2406 3.2406 3.3502 3.3502 3.3680 3.3680 3.4253 3.4253 3.6797 3.6797 3.7930 3.7930 3.8424 3.8424 4.1305 4.1305 k = 0.2667 0.5000-0.0000 ( 5632 PWs) bands (ev): -19.8553 -19.8553 -19.8338 -19.8338 -19.7271 -19.7271 -17.8846 -17.8846 -17.8236 -17.8236 -17.7582 -17.7582 -9.3829 -9.3829 -9.0652 -9.0652 -8.6966 -8.6966 -8.3445 -8.3445 -5.5833 -5.5833 -5.4961 -5.4961 -5.4186 -5.4186 -5.0245 -5.0245 -4.9290 -4.9290 -4.8169 -4.8169 -4.6743 -4.6743 -4.4257 -4.4257 -3.9785 -3.9785 -3.9470 -3.9470 -3.2211 -3.2211 -3.1333 -3.1333 -3.0243 -3.0243 -2.7687 -2.7687 -0.8541 -0.8541 -0.6515 -0.6515 -0.4444 -0.4444 -0.4121 -0.4121 -0.3893 -0.3893 -0.1628 -0.1628 2.7385 2.7385 2.7984 2.7984 2.9222 2.9222 3.2552 3.2552 3.3451 3.3451 3.3768 3.3768 3.4294 3.4294 3.6684 3.6684 3.7885 3.7885 3.8699 3.8699 4.1357 4.1357 k = 0.2833 0.5000-0.0000 ( 5628 PWs) bands (ev): -19.8500 -19.8500 -19.8335 -19.8335 -19.7294 -19.7294 -17.8851 -17.8851 -17.8299 -17.8299 -17.7582 -17.7582 -9.3802 -9.3802 -9.0323 -9.0323 -8.6950 -8.6950 -8.3492 -8.3492 -5.5861 -5.5861 -5.4998 -5.4998 -5.4291 -5.4291 -5.0726 -5.0726 -4.9273 -4.9273 -4.8392 -4.8392 -4.6741 -4.6741 -4.4256 -4.4256 -3.9757 -3.9757 -3.9395 -3.9395 -3.2138 -3.2138 -3.1248 -3.1248 -3.0413 -3.0413 -2.7324 -2.7324 -0.8652 -0.8652 -0.6692 -0.6692 -0.4451 -0.4451 -0.4197 -0.4197 -0.3913 -0.3913 -0.1526 -0.1526 2.7626 2.7626 2.8051 2.8051 2.9416 2.9416 3.2698 3.2698 3.3391 3.3391 3.3857 3.3857 3.4335 3.4335 3.6558 3.6558 3.7836 3.7836 3.9000 3.9000 4.1415 4.1415 k = 0.3000 0.5000-0.0000 ( 5624 PWs) bands (ev): -19.8445 -19.8445 -19.8332 -19.8332 -19.7318 -19.7318 -17.8856 -17.8856 -17.8360 -17.8360 -17.7582 -17.7582 -9.3776 -9.3776 -8.9993 -8.9993 -8.6935 -8.6935 -8.3537 -8.3537 -5.5891 -5.5891 -5.5033 -5.5033 -5.4393 -5.4393 -5.1215 -5.1215 -4.9255 -4.9255 -4.8592 -4.8592 -4.6737 -4.6737 -4.4255 -4.4255 -3.9784 -3.9784 -3.9254 -3.9254 -3.2070 -3.2070 -3.1160 -3.1160 -3.0584 -3.0584 -2.6982 -2.6982 -0.8757 -0.8757 -0.6867 -0.6867 -0.4462 -0.4462 -0.4268 -0.4268 -0.3930 -0.3930 -0.1429 -0.1429 2.7854 2.7854 2.8125 2.8125 2.9609 2.9609 3.2844 3.2844 3.3324 3.3324 3.3945 3.3945 3.4376 3.4376 3.6420 3.6420 3.7785 3.7785 3.9325 3.9325 4.1478 4.1478 k = 0.3167 0.5000-0.0000 ( 5636 PWs) bands (ev): -19.8388 -19.8388 -19.8329 -19.8329 -19.7345 -19.7345 -17.8861 -17.8861 -17.8419 -17.8419 -17.7582 -17.7582 -9.3750 -9.3750 -8.9666 -8.9666 -8.6922 -8.6922 -8.3582 -8.3582 -5.5924 -5.5924 -5.5067 -5.5067 -5.4492 -5.4492 -5.1702 -5.1702 -4.9238 -4.9238 -4.8770 -4.8770 -4.6733 -4.6733 -4.4254 -4.4254 -3.9824 -3.9824 -3.9091 -3.9091 -3.2010 -3.2010 -3.1074 -3.1074 -3.0751 -3.0751 -2.6662 -2.6662 -0.8856 -0.8856 -0.7038 -0.7038 -0.4485 -0.4485 -0.4324 -0.4324 -0.3948 -0.3948 -0.1337 -0.1337 2.8066 2.8066 2.8208 2.8208 2.9800 2.9800 3.2985 3.2985 3.3251 3.3251 3.4031 3.4031 3.4414 3.4414 3.6272 3.6272 3.7732 3.7732 3.9673 3.9673 4.1544 4.1544 k = 0.3333 0.5000-0.0000 ( 5636 PWs) bands (ev): -19.8332 -19.8332 -19.8326 -19.8326 -19.7374 -19.7374 -17.8866 -17.8866 -17.8475 -17.8475 -17.7581 -17.7581 -9.3726 -9.3726 -8.9347 -8.9347 -8.6910 -8.6910 -8.3624 -8.3624 -5.5959 -5.5959 -5.5099 -5.5099 -5.4584 -5.4584 -5.2179 -5.2179 -4.9221 -4.9221 -4.8926 -4.8926 -4.6728 -4.6728 -4.4253 -4.4253 -3.9864 -3.9864 -3.8924 -3.8924 -3.1956 -3.1956 -3.1023 -3.1023 -3.0881 -3.0881 -2.6365 -2.6365 -0.8948 -0.8948 -0.7202 -0.7202 -0.4529 -0.4529 -0.4354 -0.4354 -0.3967 -0.3967 -0.1253 -0.1253 2.8245 2.8245 2.8312 2.8312 2.9988 2.9988 3.3106 3.3106 3.3190 3.3190 3.4113 3.4113 3.4452 3.4452 3.6119 3.6119 3.7679 3.7679 4.0041 4.0041 4.1610 4.1610 k = 0.3500 0.5000-0.0000 ( 5640 PWs) bands (ev): -19.8324 -19.8324 -19.8274 -19.8274 -19.7404 -19.7404 -17.8870 -17.8870 -17.8528 -17.8528 -17.7581 -17.7581 -9.3702 -9.3702 -8.9038 -8.9038 -8.6901 -8.6901 -8.3665 -8.3665 -5.5995 -5.5995 -5.5128 -5.5128 -5.4669 -5.4669 -5.2638 -5.2638 -4.9206 -4.9206 -4.9063 -4.9063 -4.6723 -4.6723 -4.4252 -4.4252 -3.9900 -3.9900 -3.8757 -3.8757 -3.1908 -3.1908 -3.1128 -3.1128 -3.0853 -3.0853 -2.6093 -2.6093 -0.9033 -0.9033 -0.7358 -0.7358 -0.4588 -0.4588 -0.4363 -0.4363 -0.3986 -0.3986 -0.1175 -0.1175 2.8359 2.8359 2.8469 2.8469 3.0171 3.0171 3.3070 3.3070 3.3276 3.3276 3.4191 3.4191 3.4487 3.4487 3.5963 3.5963 3.7625 3.7625 4.0425 4.0425 4.1676 4.1676 k = 0.3667 0.5000-0.0000 ( 5632 PWs) bands (ev): -19.8321 -19.8321 -19.8216 -19.8216 -19.7437 -19.7437 -17.8875 -17.8875 -17.8577 -17.8577 -17.7581 -17.7581 -9.3681 -9.3681 -8.8744 -8.8744 -8.6895 -8.6895 -8.3702 -8.3702 -5.6031 -5.6031 -5.5156 -5.5156 -5.4745 -5.4745 -5.3072 -5.3072 -4.9209 -4.9209 -4.9165 -4.9165 -4.6717 -4.6717 -4.4251 -4.4251 -3.9932 -3.9932 -3.8595 -3.8595 -3.1865 -3.1865 -3.1282 -3.1282 -3.0773 -3.0773 -2.5847 -2.5847 -0.9110 -0.9110 -0.7504 -0.7504 -0.4651 -0.4651 -0.4360 -0.4360 -0.4007 -0.4007 -0.1104 -0.1104 2.8451 2.8451 2.8630 2.8630 3.0349 3.0349 3.2983 3.2983 3.3401 3.3401 3.4265 3.4265 3.4519 3.4519 3.5808 3.5808 3.7573 3.7573 4.0822 4.0822 4.1740 4.1740 k = 0.3833 0.5000-0.0000 ( 5630 PWs) bands (ev): -19.8319 -19.8319 -19.8159 -19.8159 -19.7472 -19.7472 -17.8878 -17.8878 -17.8622 -17.8622 -17.7581 -17.7581 -9.3661 -9.3661 -8.8469 -8.8469 -8.6892 -8.6892 -8.3736 -8.3736 -5.6066 -5.6066 -5.5181 -5.5181 -5.4812 -5.4812 -5.3474 -5.3474 -4.9294 -4.9294 -4.9170 -4.9170 -4.6711 -4.6711 -4.4251 -4.4251 -3.9960 -3.9960 -3.8441 -3.8441 -3.1828 -3.1828 -3.1434 -3.1434 -3.0692 -3.0692 -2.5628 -2.5628 -0.9179 -0.9179 -0.7638 -0.7638 -0.4711 -0.4711 -0.4351 -0.4351 -0.4028 -0.4028 -0.1041 -0.1041 2.8539 2.8539 2.8776 2.8776 3.0520 3.0520 3.2890 3.2890 3.3521 3.3521 3.4335 3.4335 3.4549 3.4549 3.5656 3.5656 3.7521 3.7521 4.1226 4.1226 4.1799 4.1799 k = 0.4000 0.5000-0.0000 ( 5634 PWs) bands (ev): -19.8317 -19.8317 -19.8101 -19.8101 -19.7509 -19.7509 -17.8882 -17.8882 -17.8662 -17.8662 -17.7581 -17.7581 -9.3643 -9.3643 -8.8215 -8.8215 -8.6894 -8.6894 -8.3767 -8.3767 -5.6099 -5.6099 -5.5203 -5.5203 -5.4870 -5.4870 -5.3838 -5.3838 -4.9381 -4.9381 -4.9159 -4.9159 -4.6706 -4.6706 -4.4250 -4.4250 -3.9983 -3.9983 -3.8298 -3.8298 -3.1797 -3.1797 -3.1576 -3.1576 -3.0617 -3.0617 -2.5436 -2.5436 -0.9239 -0.9239 -0.7758 -0.7758 -0.4767 -0.4767 -0.4338 -0.4338 -0.4050 -0.4050 -0.0986 -0.0986 2.8623 2.8623 2.8904 2.8904 3.0682 3.0682 3.2794 3.2794 3.3630 3.3630 3.4401 3.4401 3.4576 3.4576 3.5510 3.5510 3.7473 3.7473 4.1631 4.1631 4.1853 4.1853 k = 0.4167 0.5000-0.0000 ( 5628 PWs) bands (ev): -19.8316 -19.8316 -19.8044 -19.8044 -19.7549 -19.7549 -17.8884 -17.8884 -17.8697 -17.8697 -17.7581 -17.7581 -9.3627 -9.3627 -8.7986 -8.7986 -8.6901 -8.6901 -8.3793 -8.3793 -5.6128 -5.6128 -5.5222 -5.5222 -5.4919 -5.4919 -5.4157 -5.4157 -4.9454 -4.9454 -4.9149 -4.9149 -4.6701 -4.6701 -4.4249 -4.4249 -4.0003 -4.0003 -3.8170 -3.8170 -3.1770 -3.1770 -3.1704 -3.1704 -3.0550 -3.0550 -2.5273 -2.5273 -0.9291 -0.9291 -0.7862 -0.7862 -0.4816 -0.4816 -0.4323 -0.4323 -0.4073 -0.4073 -0.0939 -0.0939 2.8700 2.8700 2.9014 2.9014 3.0834 3.0834 3.2698 3.2698 3.3727 3.3727 3.4462 3.4462 3.4599 3.4599 3.5374 3.5374 3.7428 3.7428 4.1899 4.1899 4.2032 4.2032 k = 0.4333 0.5000-0.0000 ( 5638 PWs) bands (ev): -19.8314 -19.8314 -19.7988 -19.7988 -19.7590 -19.7590 -17.8887 -17.8887 -17.8726 -17.8726 -17.7580 -17.7580 -9.3614 -9.3614 -8.7786 -8.7786 -8.6914 -8.6914 -8.3815 -8.3815 -5.6152 -5.6152 -5.5238 -5.5238 -5.4962 -5.4962 -5.4426 -5.4426 -4.9513 -4.9513 -4.9141 -4.9141 -4.6697 -4.6697 -4.4249 -4.4249 -4.0018 -4.0018 -3.8059 -3.8059 -3.1816 -3.1816 -3.1748 -3.1748 -3.0494 -3.0494 -2.5139 -2.5139 -0.9333 -0.9333 -0.7950 -0.7950 -0.4857 -0.4857 -0.4306 -0.4306 -0.4096 -0.4096 -0.0900 -0.0900 2.8768 2.8768 2.9103 2.9103 3.0972 3.0972 3.2605 3.2605 3.3810 3.3810 3.4519 3.4519 3.4618 3.4618 3.5250 3.5250 3.7389 3.7389 4.1940 4.1940 4.2411 4.2411 k = 0.4500 0.5000-0.0000 ( 5630 PWs) bands (ev): -19.8313 -19.8313 -19.7933 -19.7933 -19.7633 -19.7633 -17.8889 -17.8889 -17.8748 -17.8748 -17.7580 -17.7580 -9.3604 -9.3604 -8.7617 -8.7617 -8.6933 -8.6933 -8.3833 -8.3833 -5.6170 -5.6170 -5.5251 -5.5251 -5.4999 -5.4999 -5.4638 -5.4638 -4.9558 -4.9558 -4.9134 -4.9134 -4.6693 -4.6693 -4.4248 -4.4248 -4.0030 -4.0030 -3.7969 -3.7969 -3.1906 -3.1906 -3.1731 -3.1731 -3.0448 -3.0448 -2.5034 -2.5034 -0.9367 -0.9367 -0.8019 -0.8019 -0.4890 -0.4890 -0.4288 -0.4288 -0.4118 -0.4118 -0.0870 -0.0870 2.8824 2.8824 2.9173 2.9173 3.1092 3.1092 3.2519 3.2519 3.3877 3.3877 3.4572 3.4572 3.4633 3.4633 3.5142 3.5142 3.7357 3.7357 4.1972 4.1972 4.2759 4.2759 k = 0.4667 0.5000-0.0000 ( 5634 PWs) bands (ev): -19.8312 -19.8312 -19.7880 -19.7880 -19.7679 -19.7679 -17.8890 -17.8890 -17.8765 -17.8765 -17.7580 -17.7580 -9.3597 -9.3597 -8.7484 -8.7484 -8.6958 -8.6958 -8.3845 -8.3845 -5.6181 -5.6181 -5.5260 -5.5260 -5.5033 -5.5033 -5.4785 -5.4785 -4.9590 -4.9590 -4.9129 -4.9129 -4.6691 -4.6691 -4.4248 -4.4248 -4.0038 -4.0038 -3.7902 -3.7902 -3.1973 -3.1973 -3.1719 -3.1719 -3.0415 -3.0415 -2.4959 -2.4959 -0.9391 -0.9391 -0.8069 -0.8069 -0.4914 -0.4914 -0.4270 -0.4270 -0.4138 -0.4138 -0.0848 -0.0848 2.8866 2.8866 2.9224 2.9224 3.1189 3.1189 3.2448 3.2448 3.3926 3.3926 3.4619 3.4619 3.4644 3.4644 3.5053 3.5053 3.7334 3.7334 4.1995 4.1995 4.3050 4.3050 k = 0.4833 0.5000-0.0000 ( 5656 PWs) bands (ev): -19.8312 -19.8312 -19.7827 -19.7827 -19.7726 -19.7726 -17.8891 -17.8891 -17.8775 -17.8775 -17.7580 -17.7580 -9.3592 -9.3592 -8.7394 -8.7394 -8.6981 -8.6981 -8.3853 -8.3853 -5.6188 -5.6188 -5.5265 -5.5265 -5.5065 -5.5065 -5.4865 -5.4865 -4.9610 -4.9610 -4.9127 -4.9127 -4.6690 -4.6690 -4.4248 -4.4248 -4.0044 -4.0044 -3.7861 -3.7861 -3.2014 -3.2014 -3.1712 -3.1712 -3.0395 -3.0395 -2.4914 -2.4914 -0.9405 -0.9405 -0.8100 -0.8100 -0.4928 -0.4928 -0.4256 -0.4256 -0.4154 -0.4154 -0.0835 -0.0835 2.8892 2.8892 2.9254 2.9254 3.1253 3.1253 3.2399 3.2399 3.3956 3.3956 3.4650 3.4650 3.4656 3.4656 3.4990 3.4990 3.7318 3.7318 4.2009 4.2009 4.3250 4.3250 k = 0.5000 0.5000-0.0000 ( 5656 PWs) bands (ev): -19.8312 -19.8312 -19.7783 -19.7783 -19.7768 -19.7768 -17.8891 -17.8891 -17.8778 -17.8778 -17.7580 -17.7580 -9.3591 -9.3591 -8.7361 -8.7361 -8.6992 -8.6992 -8.3856 -8.3856 -5.6190 -5.6190 -5.5267 -5.5267 -5.5078 -5.5078 -5.4889 -5.4889 -4.9617 -4.9617 -4.9126 -4.9126 -4.6690 -4.6690 -4.4248 -4.4248 -4.0045 -4.0045 -3.7847 -3.7847 -3.2028 -3.2028 -3.1710 -3.1710 -3.0388 -3.0388 -2.4899 -2.4899 -0.9410 -0.9410 -0.8110 -0.8110 -0.4933 -0.4933 -0.4251 -0.4251 -0.4161 -0.4161 -0.0831 -0.0831 2.8901 2.8901 2.9264 2.9264 3.1275 3.1275 3.2381 3.2381 3.3966 3.3966 3.4652 3.4652 3.4671 3.4671 3.4966 3.4966 3.7313 3.7313 4.2013 4.2013 4.3323 4.3323 k = 0.5000 0.5000-0.0000 ( 5656 PWs) bands (ev): -19.8312 -19.8312 -19.7783 -19.7783 -19.7768 -19.7768 -17.8891 -17.8891 -17.8778 -17.8778 -17.7580 -17.7580 -9.3591 -9.3591 -8.7361 -8.7361 -8.6992 -8.6992 -8.3856 -8.3856 -5.6190 -5.6190 -5.5267 -5.5267 -5.5078 -5.5078 -5.4889 -5.4889 -4.9617 -4.9617 -4.9126 -4.9126 -4.6690 -4.6690 -4.4248 -4.4248 -4.0045 -4.0045 -3.7847 -3.7847 -3.2028 -3.2028 -3.1710 -3.1710 -3.0388 -3.0388 -2.4899 -2.4899 -0.9410 -0.9410 -0.8110 -0.8110 -0.4933 -0.4933 -0.4251 -0.4251 -0.4161 -0.4161 -0.0831 -0.0831 2.8901 2.8901 2.9264 2.9264 3.1275 3.1275 3.2381 3.2381 3.3966 3.3966 3.4652 3.4652 3.4671 3.4671 3.4966 3.4966 3.7313 3.7313 4.2013 4.2013 4.3323 4.3323 k = 0.4881 0.4881-0.0000 ( 5656 PWs) bands (ev): -19.8314 -19.8314 -19.7812 -19.7812 -19.7739 -19.7739 -17.8889 -17.8889 -17.8776 -17.8776 -17.7580 -17.7580 -9.3592 -9.3592 -8.7378 -8.7378 -8.7002 -8.7002 -8.3849 -8.3849 -5.6187 -5.6187 -5.5250 -5.5250 -5.5070 -5.5070 -5.4876 -5.4876 -4.9613 -4.9613 -4.9125 -4.9125 -4.6690 -4.6690 -4.4248 -4.4248 -4.0045 -4.0045 -3.7853 -3.7853 -3.2023 -3.2023 -3.1713 -3.1713 -3.0393 -3.0393 -2.4911 -2.4911 -0.9402 -0.9402 -0.8100 -0.8100 -0.4934 -0.4934 -0.4254 -0.4254 -0.4157 -0.4157 -0.0834 -0.0834 2.8892 2.8892 2.9255 2.9255 3.1267 3.1267 3.2387 3.2387 3.3960 3.3960 3.4629 3.4629 3.4665 3.4665 3.4978 3.4978 3.7335 3.7335 4.2000 4.2000 4.3293 4.3293 k = 0.4762 0.4762-0.0000 ( 5634 PWs) bands (ev): -19.8321 -19.8321 -19.7845 -19.7845 -19.7705 -19.7705 -17.8883 -17.8883 -17.8771 -17.8771 -17.7580 -17.7580 -9.3595 -9.3595 -8.7428 -8.7428 -8.7032 -8.7032 -8.3830 -8.3830 -5.6176 -5.6176 -5.5199 -5.5199 -5.5048 -5.5048 -5.4833 -5.4833 -4.9602 -4.9602 -4.9121 -4.9121 -4.6691 -4.6691 -4.4250 -4.4250 -4.0045 -4.0045 -3.7869 -3.7869 -3.2008 -3.2008 -3.1725 -3.1725 -3.0408 -3.0408 -2.4947 -2.4947 -0.9377 -0.9377 -0.8068 -0.8068 -0.4935 -0.4935 -0.4263 -0.4263 -0.4147 -0.4147 -0.0842 -0.0842 2.8868 2.8868 2.9229 2.9229 3.1243 3.1243 3.2403 3.2403 3.3943 3.3943 3.4561 3.4561 3.4648 3.4648 3.5011 3.5011 3.7397 3.7397 4.1958 4.1958 4.3209 4.3209 k = 0.4643 0.4643-0.0000 ( 5630 PWs) bands (ev): -19.8334 -19.8334 -19.7876 -19.7876 -19.7670 -19.7670 -17.8874 -17.8874 -17.8763 -17.8763 -17.7580 -17.7580 -9.3600 -9.3600 -8.7509 -8.7509 -8.7084 -8.7084 -8.3798 -8.3798 -5.6159 -5.6159 -5.5114 -5.5114 -5.5017 -5.5017 -5.4757 -5.4757 -4.9585 -4.9585 -4.9115 -4.9115 -4.6693 -4.6693 -4.4252 -4.4252 -4.0045 -4.0045 -3.7896 -3.7896 -3.1984 -3.1984 -3.1745 -3.1745 -3.0432 -3.0432 -2.5007 -2.5007 -0.9335 -0.9335 -0.8015 -0.8015 -0.4937 -0.4937 -0.4276 -0.4276 -0.4135 -0.4135 -0.0855 -0.0855 2.8827 2.8827 2.9185 2.9185 3.1204 3.1204 3.2429 3.2429 3.3913 3.3913 3.4456 3.4456 3.4625 3.4625 3.5061 3.5061 3.7493 3.7493 4.1881 4.1881 4.3088 4.3088 k = 0.4524 0.4524-0.0000 ( 5630 PWs) bands (ev): -19.8353 -19.8353 -19.7903 -19.7903 -19.7638 -19.7638 -17.8860 -17.8860 -17.8751 -17.8751 -17.7580 -17.7580 -9.3608 -9.3608 -8.7619 -8.7619 -8.7157 -8.7157 -8.3756 -8.3756 -5.6135 -5.6135 -5.4999 -5.4999 -5.4978 -5.4978 -5.4648 -5.4648 -4.9561 -4.9561 -4.9107 -4.9107 -4.6696 -4.6696 -4.4256 -4.4256 -4.0046 -4.0046 -3.7933 -3.7933 -3.1951 -3.1951 -3.1772 -3.1772 -3.0465 -3.0465 -2.5090 -2.5090 -0.9277 -0.9277 -0.7943 -0.7943 -0.4940 -0.4940 -0.4290 -0.4290 -0.4121 -0.4121 -0.0874 -0.0874 2.8773 2.8773 2.9120 2.9120 3.1152 3.1152 3.2459 3.2459 3.3865 3.3865 3.4327 3.4327 3.4601 3.4601 3.5126 3.5126 3.7616 3.7616 4.1758 4.1758 4.2951 4.2951 k = 0.4405 0.4405-0.0000 ( 5636 PWs) bands (ev): -19.8379 -19.8379 -19.7925 -19.7925 -19.7607 -19.7607 -17.8843 -17.8843 -17.8736 -17.8736 -17.7580 -17.7580 -9.3617 -9.3617 -8.7753 -8.7753 -8.7252 -8.7252 -8.3703 -8.3703 -5.6103 -5.6103 -5.4942 -5.4942 -5.4843 -5.4843 -5.4504 -5.4504 -4.9530 -4.9530 -4.9096 -4.9096 -4.6700 -4.6700 -4.4261 -4.4261 -4.0047 -4.0047 -3.7980 -3.7980 -3.1917 -3.1917 -3.1803 -3.1803 -3.0507 -3.0507 -2.5193 -2.5193 -0.9204 -0.9204 -0.7853 -0.7853 -0.4942 -0.4942 -0.4304 -0.4304 -0.4107 -0.4107 -0.0897 -0.0897 2.8704 2.8704 2.9034 2.9034 3.1089 3.1089 3.2491 3.2491 3.3790 3.3790 3.4189 3.4189 3.4579 3.4579 3.5203 3.5203 3.7759 3.7759 4.1580 4.1580 4.2822 4.2822 k = 0.4286 0.4286-0.0000 ( 5636 PWs) bands (ev): -19.8412 -19.8412 -19.7941 -19.7941 -19.7577 -19.7577 -17.8822 -17.8822 -17.8718 -17.8718 -17.7580 -17.7580 -9.3629 -9.3629 -8.7910 -8.7910 -8.7369 -8.7369 -8.3642 -8.3642 -5.6065 -5.6065 -5.4896 -5.4896 -5.4662 -5.4662 -5.4329 -5.4329 -4.9492 -4.9492 -4.9082 -4.9082 -4.6705 -4.6705 -4.4266 -4.4266 -4.0048 -4.0048 -3.8036 -3.8036 -3.1911 -3.1911 -3.1810 -3.1810 -3.0555 -3.0555 -2.5315 -2.5315 -0.9114 -0.9114 -0.7747 -0.7747 -0.4944 -0.4944 -0.4317 -0.4317 -0.4093 -0.4093 -0.0926 -0.0926 2.8618 2.8618 2.8929 2.8929 3.1019 3.1019 3.2520 3.2520 3.3676 3.3676 3.4063 3.4063 3.4563 3.4563 3.5293 3.5293 3.7916 3.7916 4.1344 4.1344 4.2713 4.2713 k = 0.4167 0.4167-0.0000 ( 5640 PWs) bands (ev): -19.8452 -19.8452 -19.7952 -19.7952 -19.7550 -19.7550 -17.8798 -17.8798 -17.8696 -17.8696 -17.7580 -17.7580 -9.3642 -9.3642 -8.8086 -8.8086 -8.7506 -8.7506 -8.3574 -8.3574 -5.6019 -5.6019 -5.4845 -5.4845 -5.4450 -5.4450 -5.4126 -5.4126 -4.9448 -4.9448 -4.9064 -4.9064 -4.6711 -4.6711 -4.4273 -4.4273 -4.0049 -4.0049 -3.8099 -3.8099 -3.1959 -3.1959 -3.1767 -3.1767 -3.0609 -3.0609 -2.5453 -2.5453 -0.9010 -0.9010 -0.7628 -0.7628 -0.4943 -0.4943 -0.4330 -0.4330 -0.4081 -0.4081 -0.0959 -0.0959 2.8508 2.8508 2.8811 2.8811 3.0942 3.0942 3.2540 3.2540 3.3514 3.3514 3.3960 3.3960 3.4555 3.4555 3.5395 3.5395 3.8083 3.8083 4.1058 4.1058 4.2626 4.2626 k = 0.4048 0.4048-0.0000 ( 5636 PWs) bands (ev): -19.8499 -19.8499 -19.7957 -19.7957 -19.7526 -19.7526 -17.8770 -17.8770 -17.8672 -17.8672 -17.7580 -17.7580 -9.3657 -9.3657 -8.8280 -8.8280 -8.7662 -8.7662 -8.3500 -8.3500 -5.5965 -5.5965 -5.4790 -5.4790 -5.4211 -5.4211 -5.3895 -5.3895 -4.9398 -4.9398 -4.9042 -4.9042 -4.6716 -4.6716 -4.4281 -4.4281 -4.0050 -4.0050 -3.8171 -3.8171 -3.2036 -3.2036 -3.1704 -3.1704 -3.0665 -3.0665 -2.5604 -2.5604 -0.8892 -0.8892 -0.7496 -0.7496 -0.4939 -0.4939 -0.4342 -0.4342 -0.4070 -0.4070 -0.0995 -0.0995 2.8362 2.8362 2.8691 2.8691 3.0862 3.0862 3.2547 3.2547 3.3314 3.3314 3.3875 3.3875 3.4557 3.4557 3.5506 3.5506 3.8255 3.8255 4.0733 4.0733 4.2558 4.2558 k = 0.3929 0.3929-0.0000 ( 5636 PWs) bands (ev): -19.8551 -19.8551 -19.7957 -19.7957 -19.7503 -19.7503 -17.8739 -17.8739 -17.8645 -17.8645 -17.7580 -17.7580 -9.3674 -9.3674 -8.8489 -8.8489 -8.7835 -8.7835 -8.3421 -8.3421 -5.5905 -5.5905 -5.4730 -5.4730 -5.3945 -5.3945 -5.3641 -5.3641 -4.9343 -4.9343 -4.9014 -4.9014 -4.6723 -4.6723 -4.4290 -4.4290 -4.0053 -4.0053 -3.8248 -3.8248 -3.2134 -3.2134 -3.1632 -3.1632 -3.0723 -3.0723 -2.5767 -2.5767 -0.8759 -0.8759 -0.7356 -0.7356 -0.4930 -0.4930 -0.4351 -0.4351 -0.4060 -0.4060 -0.1035 -0.1035 2.8168 2.8168 2.8583 2.8583 3.0782 3.0782 3.2536 3.2536 3.3090 3.3090 3.3798 3.3798 3.4571 3.4571 3.5628 3.5628 3.8430 3.8430 4.0383 4.0383 4.2503 4.2503 k = 0.3810 0.3810-0.0000 ( 5642 PWs) bands (ev): -19.8607 -19.8607 -19.7953 -19.7953 -19.7483 -19.7483 -17.8706 -17.8706 -17.8615 -17.8615 -17.7580 -17.7580 -9.3692 -9.3692 -8.8710 -8.8710 -8.8025 -8.8025 -8.3338 -8.3338 -5.5837 -5.5837 -5.4666 -5.4666 -5.3656 -5.3656 -5.3366 -5.3366 -4.9283 -4.9283 -4.8978 -4.8978 -4.6730 -4.6730 -4.4300 -4.4300 -4.0056 -4.0056 -3.8331 -3.8331 -3.2253 -3.2253 -3.1554 -3.1554 -3.0781 -3.0781 -2.5938 -2.5938 -0.8614 -0.8614 -0.7209 -0.7209 -0.4916 -0.4916 -0.4359 -0.4359 -0.4053 -0.4053 -0.1079 -0.1079 2.7924 2.7924 2.8486 2.8486 3.0702 3.0702 3.2505 3.2505 3.2852 3.2852 3.3722 3.3722 3.4595 3.4595 3.5758 3.5758 3.8607 3.8607 4.0021 4.0021 4.2456 4.2456 k = 0.3690 0.3690-0.0000 ( 5630 PWs) bands (ev): -19.8668 -19.8668 -19.7946 -19.7946 -19.7465 -19.7465 -17.8669 -17.8669 -17.8583 -17.8583 -17.7580 -17.7580 -9.3711 -9.3711 -8.8943 -8.8943 -8.8228 -8.8228 -8.3252 -8.3252 -5.5763 -5.5763 -5.4598 -5.4598 -5.3345 -5.3345 -5.3071 -5.3071 -4.9219 -4.9219 -4.8933 -4.8933 -4.6736 -4.6736 -4.4310 -4.4310 -4.0059 -4.0059 -3.8419 -3.8419 -3.2393 -3.2393 -3.1470 -3.1470 -3.0834 -3.0834 -2.6115 -2.6115 -0.8457 -0.8457 -0.7059 -0.7059 -0.4894 -0.4894 -0.4365 -0.4365 -0.4047 -0.4047 -0.1124 -0.1124 2.7636 2.7636 2.8397 2.8397 3.0624 3.0624 3.2448 3.2448 3.2610 3.2610 3.3645 3.3645 3.4623 3.4623 3.5895 3.5895 3.8783 3.8783 3.9658 3.9658 4.2416 4.2416 k = 0.3571 0.3571-0.0000 ( 5630 PWs) bands (ev): -19.8731 -19.8731 -19.7936 -19.7936 -19.7449 -19.7449 -17.8630 -17.8630 -17.8548 -17.8548 -17.7580 -17.7580 -9.3731 -9.3731 -8.9185 -8.9185 -8.8444 -8.8444 -8.3163 -8.3163 -5.5682 -5.5682 -5.4527 -5.4527 -5.3015 -5.3015 -5.2760 -5.2760 -4.9154 -4.9154 -4.8877 -4.8877 -4.6743 -4.6743 -4.4322 -4.4322 -4.0063 -4.0063 -3.8511 -3.8511 -3.2557 -3.2557 -3.1384 -3.1384 -3.0883 -3.0883 -2.6295 -2.6295 -0.8289 -0.8289 -0.6908 -0.6908 -0.4864 -0.4864 -0.4368 -0.4368 -0.4044 -0.4044 -0.1172 -0.1172 2.7308 2.7308 2.8314 2.8314 3.0549 3.0549 3.2306 3.2306 3.2426 3.2426 3.3565 3.3565 3.4647 3.4647 3.6038 3.6038 3.8957 3.8957 3.9309 3.9309 4.2379 4.2379 k = 0.3452 0.3452-0.0000 ( 5634 PWs) bands (ev): -19.8797 -19.8797 -19.7923 -19.7923 -19.7436 -19.7436 -17.8589 -17.8589 -17.8512 -17.8512 -17.7579 -17.7579 -9.3753 -9.3753 -8.9434 -8.9434 -8.8669 -8.8669 -8.3072 -8.3072 -5.5596 -5.5596 -5.4454 -5.4454 -5.2668 -5.2668 -5.2435 -5.2435 -4.9089 -4.9089 -4.8807 -4.8807 -4.6750 -4.6750 -4.4335 -4.4335 -4.0069 -4.0069 -3.8606 -3.8606 -3.2744 -3.2744 -3.1295 -3.1295 -3.0925 -3.0925 -2.6477 -2.6477 -0.8112 -0.8112 -0.6760 -0.6760 -0.4823 -0.4823 -0.4368 -0.4368 -0.4043 -0.4043 -0.1221 -0.1221 2.6943 2.6943 2.8235 2.8235 3.0477 3.0477 3.2056 3.2056 3.2329 3.2329 3.3481 3.3481 3.4655 3.4655 3.6183 3.6183 3.8973 3.8973 3.9141 3.9141 4.2344 4.2344 k = 0.3333 0.3333-0.0000 ( 5646 PWs) bands (ev): -19.8864 -19.8864 -19.7908 -19.7908 -19.7424 -19.7424 -17.8546 -17.8546 -17.8473 -17.8473 -17.7579 -17.7579 -9.3775 -9.3775 -8.9689 -8.9689 -8.8903 -8.8903 -8.2979 -8.2979 -5.5505 -5.5505 -5.4380 -5.4380 -5.2307 -5.2307 -5.2098 -5.2098 -4.9025 -4.9025 -4.8723 -4.8723 -4.6757 -4.6757 -4.4349 -4.4349 -4.0076 -4.0076 -3.8703 -3.8703 -3.2955 -3.2955 -3.1206 -3.1206 -3.0957 -3.0957 -2.6657 -2.6657 -0.7926 -0.7926 -0.6616 -0.6616 -0.4772 -0.4772 -0.4365 -0.4365 -0.4044 -0.4044 -0.1270 -0.1270 2.6544 2.6544 2.8159 2.8159 3.0410 3.0410 3.1788 3.1788 3.2234 3.2234 3.3394 3.3394 3.4633 3.4633 3.6327 3.6327 3.8697 3.8697 3.9307 3.9307 4.2311 4.2311 k = 0.3214 0.3214-0.0000 ( 5620 PWs) bands (ev): -19.8933 -19.8933 -19.7892 -19.7892 -19.7415 -19.7415 -17.8502 -17.8502 -17.8433 -17.8433 -17.7579 -17.7579 -9.3798 -9.3798 -8.9947 -8.9947 -8.9144 -8.9144 -8.2886 -8.2886 -5.5408 -5.5408 -5.4304 -5.4304 -5.1936 -5.1936 -5.1753 -5.1753 -4.8957 -4.8957 -4.8623 -4.8623 -4.6761 -4.6761 -4.4363 -4.4363 -4.0084 -4.0084 -3.8802 -3.8802 -3.3189 -3.3189 -3.1124 -3.1124 -3.0973 -3.0973 -2.6835 -2.6835 -0.7732 -0.7732 -0.6479 -0.6479 -0.4709 -0.4709 -0.4357 -0.4357 -0.4048 -0.4048 -0.1320 -0.1320 2.6115 2.6115 2.8084 2.8084 3.0347 3.0347 3.1515 3.1515 3.2134 3.2134 3.3304 3.3304 3.4567 3.4567 3.6468 3.6468 3.8477 3.8477 3.9473 3.9473 4.2280 4.2280 k = 0.3095 0.3095-0.0000 ( 5622 PWs) bands (ev): -19.9002 -19.9002 -19.7874 -19.7874 -19.7407 -19.7407 -17.8456 -17.8456 -17.8392 -17.8392 -17.7579 -17.7579 -9.3822 -9.3822 -9.0209 -9.0209 -8.9390 -8.9390 -8.2792 -8.2792 -5.5307 -5.5307 -5.4229 -5.4229 -5.1556 -5.1556 -5.1403 -5.1403 -4.8887 -4.8887 -4.8510 -4.8510 -4.6767 -4.6767 -4.4379 -4.4379 -4.0094 -4.0094 -3.8902 -3.8902 -3.3444 -3.3444 -3.1071 -3.1071 -3.0950 -3.0950 -2.7009 -2.7009 -0.7534 -0.7534 -0.6350 -0.6350 -0.4635 -0.4635 -0.4344 -0.4344 -0.4052 -0.4052 -0.1369 -0.1369 2.5659 2.5659 2.8011 2.8011 3.0289 3.0289 3.1239 3.1239 3.2028 3.2028 3.3211 3.3211 3.4441 3.4441 3.6603 3.6603 3.8331 3.8331 3.9637 3.9637 4.2248 4.2248 k = 0.2976 0.2976-0.0000 ( 5614 PWs) bands (ev): -19.9072 -19.9072 -19.7855 -19.7855 -19.7402 -19.7402 -17.8408 -17.8408 -17.8349 -17.8349 -17.7579 -17.7579 -9.3847 -9.3847 -9.0471 -9.0471 -8.9638 -8.9638 -8.2698 -8.2698 -5.5201 -5.5201 -5.4153 -5.4153 -5.1173 -5.1173 -5.1050 -5.1050 -4.8809 -4.8809 -4.8385 -4.8385 -4.6771 -4.6771 -4.4395 -4.4395 -4.0105 -4.0105 -3.9003 -3.9003 -3.3719 -3.3719 -3.1058 -3.1058 -3.0878 -3.0878 -2.7178 -2.7178 -0.7332 -0.7332 -0.6231 -0.6231 -0.4556 -0.4556 -0.4322 -0.4322 -0.4056 -0.4056 -0.1417 -0.1417 2.5178 2.5178 2.7938 2.7938 3.0235 3.0235 3.0961 3.0961 3.1921 3.1921 3.3116 3.3116 3.4251 3.4251 3.6729 3.6729 3.8267 3.8267 3.9796 3.9796 4.2217 4.2217 k = 0.2857 0.2857-0.0000 ( 5622 PWs) bands (ev): -19.9142 -19.9142 -19.7835 -19.7835 -19.7398 -19.7398 -17.8360 -17.8360 -17.8305 -17.8305 -17.7579 -17.7579 -9.3872 -9.3872 -9.0734 -9.0734 -8.9888 -8.9888 -8.2603 -8.2603 -5.5093 -5.5093 -5.4080 -5.4080 -5.0789 -5.0789 -5.0697 -5.0697 -4.8723 -4.8723 -4.8249 -4.8249 -4.6775 -4.6775 -4.4413 -4.4413 -4.0119 -4.0119 -3.9103 -3.9103 -3.4013 -3.4013 -3.1054 -3.1054 -3.0789 -3.0789 -2.7342 -2.7342 -0.7128 -0.7128 -0.6121 -0.6121 -0.4482 -0.4482 -0.4281 -0.4281 -0.4058 -0.4058 -0.1464 -0.1464 2.4677 2.4677 2.7865 2.7865 3.0186 3.0186 3.0682 3.0682 3.1814 3.1814 3.3018 3.3018 3.3999 3.3999 3.6848 3.6848 3.8279 3.8279 3.9951 3.9951 4.2186 4.2186 k = 0.2738 0.2738-0.0000 ( 5624 PWs) bands (ev): -19.9211 -19.9211 -19.7814 -19.7814 -19.7395 -19.7395 -17.8312 -17.8312 -17.8261 -17.8261 -17.7578 -17.7578 -9.3897 -9.3897 -9.0995 -9.0995 -9.0137 -9.0137 -8.2510 -8.2510 -5.4982 -5.4982 -5.4007 -5.4007 -5.0411 -5.0411 -5.0346 -5.0346 -4.8623 -4.8623 -4.8102 -4.8102 -4.6778 -4.6778 -4.4431 -4.4431 -4.0135 -4.0135 -3.9203 -3.9203 -3.4324 -3.4324 -3.1044 -3.1044 -3.0696 -3.0696 -2.7500 -2.7500 -0.6926 -0.6926 -0.6020 -0.6020 -0.4430 -0.4430 -0.4211 -0.4211 -0.4055 -0.4055 -0.1509 -0.1509 2.4159 2.4159 2.7791 2.7791 3.0139 3.0139 3.0405 3.0405 3.1709 3.1709 3.2918 3.2918 3.3695 3.3695 3.6962 3.6962 3.8354 3.8354 4.0102 4.0102 4.2154 4.2154 k = 0.2619 0.2619-0.0000 ( 5640 PWs) bands (ev): -19.9280 -19.9280 -19.7793 -19.7793 -19.7394 -19.7394 -17.8263 -17.8263 -17.8216 -17.8216 -17.7578 -17.7578 -9.3923 -9.3923 -9.1253 -9.1253 -9.0385 -9.0385 -8.2417 -8.2417 -5.4870 -5.4870 -5.3938 -5.3938 -5.0054 -5.0054 -4.9993 -4.9993 -4.8505 -4.8505 -4.7944 -4.7944 -4.6780 -4.6780 -4.4450 -4.4450 -4.0153 -4.0153 -3.9301 -3.9301 -3.4649 -3.4649 -3.1026 -3.1026 -3.0601 -3.0601 -2.7652 -2.7652 -0.6726 -0.6726 -0.5928 -0.5928 -0.4406 -0.4406 -0.4110 -0.4110 -0.4039 -0.4039 -0.1551 -0.1551 2.3626 2.3626 2.7716 2.7716 3.0078 3.0078 3.0146 3.0146 3.1608 3.1608 3.2817 3.2817 3.3357 3.3357 3.7073 3.7073 3.8475 3.8475 4.0247 4.0247 4.2123 4.2123 k = 0.2500 0.2500-0.0000 ( 5642 PWs) bands (ev): -19.9348 -19.9348 -19.7772 -19.7772 -19.7394 -19.7394 -17.8214 -17.8214 -17.8171 -17.8171 -17.7578 -17.7578 -9.3949 -9.3949 -9.1507 -9.1507 -9.0629 -9.0629 -8.2326 -8.2326 -5.4755 -5.4755 -5.3870 -5.3870 -4.9729 -4.9729 -4.9636 -4.9636 -4.8363 -4.8363 -4.7776 -4.7776 -4.6780 -4.6780 -4.4470 -4.4470 -4.0174 -4.0174 -3.9398 -3.9398 -3.4986 -3.4986 -3.0998 -3.0998 -3.0508 -3.0508 -2.7797 -2.7797 -0.6532 -0.6532 -0.5841 -0.5841 -0.4402 -0.4402 -0.4023 -0.4023 -0.3977 -0.3977 -0.1590 -0.1590 2.3084 2.3084 2.7638 2.7638 2.9841 2.9841 3.0068 3.0068 3.1511 3.1511 3.2712 3.2712 3.2999 3.2999 3.7183 3.7183 3.8627 3.8627 4.0387 4.0387 4.2090 4.2090 k = 0.2381 0.2381-0.0000 ( 5646 PWs) bands (ev): -19.9415 -19.9415 -19.7750 -19.7750 -19.7395 -19.7395 -17.8165 -17.8165 -17.8126 -17.8126 -17.7578 -17.7578 -9.3975 -9.3975 -9.1756 -9.1756 -9.0869 -9.0869 -8.2236 -8.2236 -5.4640 -5.4640 -5.3805 -5.3805 -4.9434 -4.9434 -4.9288 -4.9288 -4.8190 -4.8190 -4.7597 -4.7597 -4.6778 -4.6778 -4.4490 -4.4490 -4.0197 -4.0197 -3.9494 -3.9494 -3.5333 -3.5333 -3.0961 -3.0961 -3.0416 -3.0416 -2.7936 -2.7936 -0.6347 -0.6347 -0.5761 -0.5761 -0.4413 -0.4413 -0.3974 -0.3974 -0.3848 -0.3848 -0.1626 -0.1626 2.2535 2.2535 2.7557 2.7557 2.9570 2.9570 3.0024 3.0024 3.1416 3.1416 3.2578 3.2578 3.2667 3.2667 3.7291 3.7291 3.8799 3.8799 4.0522 4.0522 4.2057 4.2057 k = 0.2262 0.2262-0.0000 ( 5630 PWs) bands (ev): -19.9480 -19.9480 -19.7728 -19.7728 -19.7397 -19.7397 -17.8116 -17.8116 -17.8081 -17.8081 -17.7578 -17.7578 -9.4003 -9.4003 -9.2000 -9.2000 -9.1103 -9.1103 -8.2148 -8.2148 -5.4525 -5.4525 -5.3742 -5.3742 -4.9170 -4.9170 -4.8958 -4.8958 -4.7982 -4.7982 -4.7409 -4.7409 -4.6772 -4.6772 -4.4511 -4.4511 -4.0221 -4.0221 -3.9586 -3.9586 -3.5689 -3.5689 -3.0913 -3.0913 -3.0326 -3.0326 -2.8069 -2.8069 -0.6174 -0.6174 -0.5685 -0.5685 -0.4436 -0.4436 -0.3909 -0.3909 -0.3710 -0.3710 -0.1659 -0.1659 2.1984 2.1984 2.7473 2.7473 2.9300 2.9300 2.9975 2.9975 3.1323 3.1323 3.2267 3.2267 3.2526 3.2526 3.7396 3.7396 3.8980 3.8980 4.0651 4.0651 4.2021 4.2021 k = 0.2143 0.2143-0.0000 ( 5632 PWs) bands (ev): -19.9544 -19.9544 -19.7706 -19.7706 -19.7400 -19.7400 -17.8069 -17.8069 -17.8037 -17.8037 -17.7578 -17.7578 -9.4030 -9.4030 -9.2236 -9.2236 -9.1329 -9.1329 -8.2062 -8.2062 -5.4411 -5.4411 -5.3683 -5.3683 -4.8938 -4.8938 -4.8651 -4.8651 -4.7740 -4.7740 -4.7215 -4.7215 -4.6760 -4.6760 -4.4532 -4.4532 -4.0248 -4.0248 -3.9677 -3.9677 -3.6049 -3.6049 -3.0854 -3.0854 -3.0238 -3.0238 -2.8196 -2.8196 -0.6014 -0.6014 -0.5614 -0.5614 -0.4468 -0.4468 -0.3827 -0.3827 -0.3569 -0.3569 -0.1689 -0.1689 2.1434 2.1434 2.7386 2.7386 2.9035 2.9035 2.9908 2.9908 3.1224 3.1224 3.1955 3.1955 3.2423 3.2423 3.7498 3.7498 3.9163 3.9163 4.0774 4.0774 4.1981 4.1981 k = 0.2024 0.2024-0.0000 ( 5634 PWs) bands (ev): -19.9606 -19.9606 -19.7684 -19.7684 -19.7404 -19.7404 -17.8022 -17.8022 -17.7994 -17.7994 -17.7577 -17.7577 -9.4058 -9.4058 -9.2464 -9.2464 -9.1546 -9.1546 -8.1979 -8.1979 -5.4298 -5.4298 -5.3628 -5.3628 -4.8733 -4.8733 -4.8366 -4.8366 -4.7472 -4.7472 -4.7026 -4.7026 -4.6733 -4.6733 -4.4554 -4.4554 -4.0276 -4.0276 -3.9764 -3.9764 -3.6414 -3.6414 -3.0785 -3.0785 -3.0153 -3.0153 -2.8316 -2.8316 -0.5870 -0.5870 -0.5546 -0.5546 -0.4506 -0.4506 -0.3728 -0.3728 -0.3427 -0.3427 -0.1716 -0.1716 2.0888 2.0888 2.7297 2.7297 2.8775 2.8775 2.9807 2.9807 3.1116 3.1116 3.1702 3.1702 3.2324 3.2324 3.7595 3.7595 3.9341 3.9341 4.0892 4.0892 4.1930 4.1930 k = 0.1905 0.1905-0.0000 ( 5637 PWs) bands (ev): -19.9665 -19.9665 -19.7663 -19.7663 -19.7408 -19.7408 -17.7977 -17.7977 -17.7952 -17.7952 -17.7577 -17.7577 -9.4087 -9.4087 -9.2684 -9.2684 -9.1754 -9.1754 -8.1899 -8.1899 -5.4187 -5.4187 -5.3576 -5.3576 -4.8547 -4.8547 -4.8105 -4.8105 -4.7190 -4.7190 -4.6878 -4.6878 -4.6653 -4.6653 -4.4576 -4.4576 -4.0305 -4.0305 -3.9848 -3.9848 -3.6779 -3.6779 -3.0707 -3.0707 -3.0072 -3.0072 -2.8431 -2.8431 -0.5743 -0.5743 -0.5483 -0.5483 -0.4548 -0.4548 -0.3613 -0.3613 -0.3285 -0.3285 -0.1739 -0.1739 2.0350 2.0350 2.7205 2.7205 2.8522 2.8522 2.9655 2.9655 3.1004 3.1004 3.1527 3.1527 3.2228 3.2228 3.7687 3.7687 3.9505 3.9505 4.1003 4.1003 4.1853 4.1853 k = 0.1786 0.1786-0.0000 ( 5633 PWs) bands (ev): -19.9722 -19.9722 -19.7642 -19.7642 -19.7413 -19.7413 -17.7933 -17.7933 -17.7911 -17.7911 -17.7577 -17.7577 -9.4117 -9.4117 -9.2894 -9.2894 -9.1951 -9.1951 -8.1822 -8.1822 -5.4080 -5.4080 -5.3527 -5.3527 -4.8372 -4.8372 -4.7864 -4.7864 -4.6923 -4.6923 -4.6794 -4.6794 -4.6484 -4.6484 -4.4598 -4.4598 -4.0336 -4.0336 -3.9928 -3.9928 -3.7143 -3.7143 -3.0619 -3.0619 -2.9993 -2.9993 -2.8540 -2.8540 -0.5632 -0.5632 -0.5423 -0.5423 -0.4594 -0.4594 -0.3484 -0.3484 -0.3145 -0.3145 -0.1760 -0.1760 1.9824 1.9824 2.7112 2.7112 2.8276 2.8276 2.9441 2.9441 3.0913 3.0913 3.1417 3.1417 3.2135 3.2135 3.7772 3.7772 3.9646 3.9646 4.1109 4.1109 4.1725 4.1725 k = 0.1667 0.1667-0.0000 ( 5627 PWs) bands (ev): -19.9776 -19.9776 -19.7622 -19.7622 -19.7418 -19.7418 -17.7891 -17.7891 -17.7872 -17.7872 -17.7577 -17.7577 -9.4148 -9.4148 -9.3094 -9.3094 -9.2136 -9.2136 -8.1748 -8.1748 -5.3975 -5.3975 -5.3481 -5.3481 -4.8201 -4.8201 -4.7643 -4.7643 -4.6818 -4.6818 -4.6591 -4.6591 -4.6276 -4.6276 -4.4620 -4.4620 -4.0366 -4.0366 -4.0005 -4.0005 -3.7503 -3.7503 -3.0524 -3.0524 -2.9919 -2.9919 -2.8642 -2.8642 -0.5537 -0.5537 -0.5368 -0.5368 -0.4641 -0.4641 -0.3344 -0.3344 -0.3007 -0.3007 -0.1778 -0.1778 1.9314 1.9314 2.7019 2.7019 2.8039 2.8039 2.9173 2.9173 3.0860 3.0860 3.1351 3.1351 3.2046 3.2046 3.7850 3.7850 3.9750 3.9750 4.1208 4.1208 4.1561 4.1561 k = 0.1548 0.1548-0.0000 ( 5633 PWs) bands (ev): -19.9827 -19.9827 -19.7603 -19.7603 -19.7423 -19.7423 -17.7850 -17.7850 -17.7834 -17.7834 -17.7577 -17.7577 -9.4180 -9.4180 -9.3283 -9.3283 -9.2309 -9.2309 -8.1678 -8.1678 -5.3876 -5.3876 -5.3440 -5.3440 -4.8032 -4.8032 -4.7440 -4.7440 -4.6795 -4.6795 -4.6328 -4.6328 -4.6059 -4.6059 -4.4642 -4.4642 -4.0396 -4.0396 -4.0077 -4.0077 -3.7857 -3.7857 -3.0422 -3.0422 -2.9848 -2.9848 -2.8739 -2.8739 -0.5457 -0.5457 -0.5317 -0.5317 -0.4690 -0.4690 -0.3197 -0.3197 -0.2873 -0.2873 -0.1792 -0.1792 1.8822 1.8822 2.6926 2.6926 2.7812 2.7812 2.8871 2.8871 3.0844 3.0844 3.1310 3.1310 3.1960 3.1960 3.7920 3.7920 3.9799 3.9799 4.1300 4.1300 4.1414 4.1414 k = 0.1429 0.1429-0.0000 ( 5641 PWs) bands (ev): -19.9875 -19.9875 -19.7585 -19.7585 -19.7429 -19.7429 -17.7812 -17.7812 -17.7798 -17.7798 -17.7577 -17.7577 -9.4213 -9.4213 -9.3461 -9.3461 -9.2468 -9.2468 -8.1612 -8.1612 -5.3782 -5.3782 -5.3402 -5.3402 -4.7862 -4.7862 -4.7253 -4.7253 -4.6780 -4.6780 -4.6081 -4.6081 -4.5844 -4.5844 -4.4663 -4.4663 -4.0425 -4.0425 -4.0145 -4.0145 -3.8203 -3.8203 -3.0315 -3.0315 -2.9782 -2.9782 -2.8829 -2.8829 -0.5389 -0.5389 -0.5272 -0.5272 -0.4738 -0.4738 -0.3046 -0.3046 -0.2744 -0.2744 -0.1805 -0.1805 1.8352 1.8352 2.6835 2.6835 2.7595 2.7595 2.8552 2.8552 3.0856 3.0856 3.1287 3.1287 3.1879 3.1879 3.7982 3.7982 3.9775 3.9775 4.1320 4.1320 4.1389 4.1389 k = 0.1310 0.1310-0.0000 ( 5625 PWs) bands (ev): -19.9921 -19.9921 -19.7567 -19.7567 -19.7434 -19.7434 -17.7776 -17.7776 -17.7765 -17.7765 -17.7577 -17.7577 -9.4247 -9.4247 -9.3626 -9.3626 -9.2612 -9.2612 -8.1551 -8.1551 -5.3692 -5.3692 -5.3367 -5.3367 -4.7687 -4.7687 -4.7081 -4.7081 -4.6765 -4.6765 -4.5855 -4.5855 -4.5635 -4.5635 -4.4684 -4.4684 -4.0452 -4.0452 -4.0208 -4.0208 -3.8536 -3.8536 -3.0205 -3.0205 -2.9720 -2.9720 -2.8913 -2.8913 -0.5331 -0.5331 -0.5232 -0.5232 -0.4785 -0.4785 -0.2894 -0.2894 -0.2619 -0.2619 -0.1815 -0.1815 1.7908 1.7908 2.6746 2.6746 2.7391 2.7391 2.8233 2.8233 3.0886 3.0886 3.1275 3.1275 3.1802 3.1802 3.8037 3.8037 3.9678 3.9678 4.1299 4.1299 4.1467 4.1467 k = 0.1190 0.1190-0.0000 ( 5619 PWs) bands (ev): -19.9962 -19.9962 -19.7551 -19.7551 -19.7439 -19.7439 -17.7743 -17.7743 -17.7733 -17.7733 -17.7577 -17.7577 -9.4282 -9.4282 -9.3779 -9.3779 -9.2742 -9.2742 -8.1494 -8.1494 -5.3608 -5.3608 -5.3335 -5.3335 -4.7510 -4.7510 -4.6926 -4.6926 -4.6748 -4.6748 -4.5654 -4.5654 -4.5440 -4.5440 -4.4704 -4.4704 -4.0477 -4.0477 -4.0266 -4.0266 -3.8854 -3.8854 -3.0094 -3.0094 -2.9662 -2.9662 -2.8990 -2.8990 -0.5283 -0.5283 -0.5197 -0.5197 -0.4831 -0.4831 -0.2746 -0.2746 -0.2500 -0.2500 -0.1822 -0.1822 1.7491 1.7491 2.6661 2.6661 2.7200 2.7200 2.7922 2.7922 3.0929 3.0929 3.1273 3.1273 3.1731 3.1731 3.8084 3.8084 3.9526 3.9526 4.1332 4.1332 4.1540 4.1540 k = 0.1071 0.1071-0.0000 ( 5619 PWs) bands (ev): -20.0000 -20.0000 -19.7536 -19.7536 -19.7444 -19.7444 -17.7712 -17.7712 -17.7704 -17.7704 -17.7576 -17.7576 -9.4317 -9.4317 -9.3919 -9.3919 -9.2858 -9.2858 -8.1441 -8.1441 -5.3532 -5.3532 -5.3307 -5.3307 -4.7331 -4.7331 -4.6805 -4.6805 -4.6710 -4.6710 -4.5478 -4.5478 -4.5264 -4.5264 -4.4723 -4.4723 -4.0500 -4.0500 -4.0319 -4.0319 -3.9155 -3.9155 -2.9985 -2.9985 -2.9609 -2.9609 -2.9061 -2.9061 -0.5243 -0.5243 -0.5168 -0.5168 -0.4875 -0.4875 -0.2604 -0.2604 -0.2389 -0.2389 -0.1828 -0.1828 1.7106 1.7106 2.6581 2.6581 2.7023 2.7023 2.7626 2.7626 3.0978 3.0978 3.1277 3.1277 3.1666 3.1666 3.8123 3.8123 3.9344 3.9344 4.1397 4.1397 4.1606 4.1606 k = 0.0952 0.0952-0.0000 ( 5617 PWs) bands (ev): -20.0035 -20.0035 -19.7522 -19.7522 -19.7449 -19.7449 -17.7685 -17.7685 -17.7678 -17.7678 -17.7576 -17.7576 -9.4353 -9.4353 -9.4045 -9.4045 -9.2958 -9.2958 -8.1394 -8.1394 -5.3462 -5.3462 -5.3282 -5.3282 -4.7150 -4.7150 -4.6757 -4.6757 -4.6611 -4.6611 -4.5326 -4.5326 -4.5112 -4.5112 -4.4741 -4.4741 -4.0520 -4.0520 -4.0367 -4.0367 -3.9434 -3.9434 -2.9879 -2.9879 -2.9561 -2.9561 -2.9124 -2.9124 -0.5210 -0.5210 -0.5143 -0.5143 -0.4915 -0.4915 -0.2471 -0.2471 -0.2286 -0.2286 -0.1830 -0.1830 1.6753 1.6753 2.6506 2.6506 2.6861 2.6861 2.7351 2.7351 3.1029 3.1029 3.1287 3.1287 3.1608 3.1608 3.8156 3.8156 3.9152 3.9152 4.1477 4.1477 4.1665 4.1665 k = 0.0833 0.0833-0.0000 ( 5617 PWs) bands (ev): -20.0065 -20.0065 -19.7510 -19.7510 -19.7453 -19.7453 -17.7660 -17.7660 -17.7655 -17.7655 -17.7576 -17.7576 -9.4388 -9.4388 -9.4157 -9.4157 -9.3045 -9.3045 -8.1352 -8.1352 -5.3400 -5.3400 -5.3261 -5.3261 -4.6973 -4.6973 -4.6736 -4.6736 -4.6496 -4.6496 -4.5197 -4.5197 -4.4989 -4.4989 -4.4758 -4.4758 -4.0537 -4.0537 -4.0409 -4.0409 -3.9688 -3.9688 -2.9781 -2.9781 -2.9518 -2.9518 -2.9179 -2.9179 -0.5183 -0.5183 -0.5123 -0.5123 -0.4952 -0.4952 -0.2349 -0.2349 -0.2192 -0.2192 -0.1830 -0.1830 1.6437 1.6437 2.6437 2.6437 2.6716 2.6716 2.7100 2.7100 3.1079 3.1079 3.1302 3.1302 3.1557 3.1557 3.8182 3.8182 3.8964 3.8964 4.1561 4.1561 4.1718 4.1718 k = 0.0714 0.0714-0.0000 ( 5621 PWs) bands (ev): -20.0092 -20.0092 -19.7499 -19.7499 -19.7457 -19.7457 -17.7638 -17.7638 -17.7634 -17.7634 -17.7576 -17.7576 -9.4421 -9.4421 -9.4255 -9.4255 -9.3117 -9.3117 -8.1315 -8.1315 -5.3345 -5.3345 -5.3242 -5.3242 -4.6816 -4.6816 -4.6702 -4.6702 -4.6389 -4.6389 -4.5089 -4.5089 -4.4896 -4.4896 -4.4773 -4.4773 -4.0551 -4.0551 -4.0445 -4.0445 -3.9914 -3.9914 -2.9693 -2.9693 -2.9479 -2.9479 -2.9226 -2.9226 -0.5162 -0.5162 -0.5107 -0.5107 -0.4984 -0.4984 -0.2241 -0.2241 -0.2111 -0.2111 -0.1826 -0.1826 1.6159 1.6159 2.6375 2.6375 2.6590 2.6590 2.6878 2.6878 3.1124 3.1124 3.1320 3.1320 3.1514 3.1514 3.8203 3.8203 3.8788 3.8788 4.1641 4.1641 4.1764 4.1764 k = 0.0595 0.0595-0.0000 ( 5629 PWs) bands (ev): -20.0115 -20.0115 -19.7490 -19.7490 -19.7460 -19.7460 -17.7619 -17.7619 -17.7617 -17.7617 -17.7576 -17.7576 -9.4451 -9.4451 -9.4338 -9.4338 -9.3177 -9.3177 -8.1283 -8.1283 -5.3299 -5.3299 -5.3227 -5.3227 -4.6750 -4.6750 -4.6586 -4.6586 -4.6296 -4.6296 -4.5002 -4.5002 -4.4836 -4.4836 -4.4786 -4.4786 -4.0564 -4.0564 -4.0474 -4.0474 -4.0108 -4.0108 -2.9619 -2.9619 -2.9443 -2.9443 -2.9264 -2.9264 -0.5145 -0.5145 -0.5094 -0.5094 -0.5011 -0.5011 -0.2148 -0.2148 -0.2044 -0.2044 -0.1816 -0.1816 1.5920 1.5920 2.6317 2.6317 2.6482 2.6482 2.6687 2.6687 3.1161 3.1161 3.1341 3.1341 3.1479 3.1479 3.8219 3.8219 3.8632 3.8632 4.1713 4.1713 4.1803 4.1803 k = 0.0476 0.0476-0.0000 ( 5629 PWs) bands (ev): -20.0134 -20.0134 -19.7482 -19.7482 -19.7463 -19.7463 -17.7604 -17.7604 -17.7602 -17.7602 -17.7576 -17.7576 -9.4478 -9.4478 -9.4406 -9.4406 -9.3224 -9.3224 -8.1257 -8.1257 -5.3261 -5.3261 -5.3214 -5.3214 -4.6734 -4.6734 -4.6431 -4.6431 -4.6216 -4.6216 -4.4934 -4.4934 -4.4807 -4.4807 -4.4794 -4.4794 -4.0575 -4.0575 -4.0497 -4.0497 -4.0267 -4.0267 -2.9562 -2.9562 -2.9409 -2.9409 -2.9292 -2.9292 -0.5134 -0.5134 -0.5084 -0.5084 -0.5034 -0.5034 -0.2071 -0.2071 -0.1995 -0.1995 -0.1800 -0.1800 1.5723 1.5723 2.6265 2.6265 2.6396 2.6396 2.6529 2.6529 3.1188 3.1188 3.1363 3.1363 3.1452 3.1452 3.8231 3.8231 3.8498 3.8498 4.1774 4.1774 4.1834 4.1834 k = 0.0357 0.0357-0.0000 ( 5615 PWs) bands (ev): -20.0149 -20.0149 -19.7476 -19.7476 -19.7465 -19.7465 -17.7592 -17.7592 -17.7591 -17.7591 -17.7576 -17.7576 -9.4499 -9.4499 -9.4460 -9.4460 -9.3260 -9.3260 -8.1237 -8.1237 -5.3230 -5.3230 -5.3204 -5.3204 -4.6725 -4.6725 -4.6289 -4.6289 -4.6152 -4.6152 -4.4882 -4.4882 -4.4808 -4.4808 -4.4793 -4.4793 -4.0587 -4.0587 -4.0514 -4.0514 -4.0389 -4.0389 -2.9525 -2.9525 -2.9377 -2.9377 -2.9310 -2.9310 -0.5127 -0.5127 -0.5077 -0.5077 -0.5050 -0.5050 -0.2011 -0.2011 -0.1963 -0.1963 -0.1778 -0.1778 1.5568 1.5568 2.6216 2.6216 2.6333 2.6333 2.6408 2.6408 3.1205 3.1205 3.1384 3.1384 3.1435 3.1435 3.8239 3.8239 3.8391 3.8391 4.1823 4.1823 4.1859 4.1859 k = 0.0238 0.0238-0.0000 ( 5623 PWs) bands (ev): -20.0159 -20.0159 -19.7472 -19.7472 -19.7467 -19.7467 -17.7583 -17.7583 -17.7582 -17.7582 -17.7576 -17.7576 -9.4516 -9.4516 -9.4498 -9.4498 -9.3285 -9.3285 -8.1222 -8.1222 -5.3209 -5.3209 -5.3197 -5.3197 -4.6720 -4.6720 -4.6173 -4.6173 -4.6106 -4.6106 -4.4847 -4.4847 -4.4814 -4.4814 -4.4802 -4.4802 -4.0598 -4.0598 -4.0525 -4.0525 -4.0474 -4.0474 -2.9506 -2.9506 -2.9350 -2.9350 -2.9320 -2.9320 -0.5123 -0.5123 -0.5072 -0.5072 -0.5060 -0.5060 -0.1968 -0.1968 -0.1946 -0.1946 -0.1757 -0.1757 1.5457 1.5457 2.6174 2.6174 2.6291 2.6291 2.6325 2.6325 3.1215 3.1215 3.1401 3.1401 3.1424 3.1424 3.8245 3.8245 3.8313 3.8313 4.1857 4.1857 4.1878 4.1878 k = 0.0119 0.0119-0.0000 ( 5623 PWs) bands (ev): -20.0166 -20.0166 -19.7469 -19.7469 -19.7468 -19.7468 -17.7578 -17.7578 -17.7577 -17.7577 -17.7576 -17.7576 -9.4526 -9.4526 -9.4521 -9.4521 -9.3300 -9.3300 -8.1213 -8.1213 -5.3196 -5.3196 -5.3193 -5.3193 -4.6717 -4.6717 -4.6096 -4.6096 -4.6078 -4.6078 -4.4827 -4.4827 -4.4818 -4.4818 -4.4814 -4.4814 -4.0610 -4.0610 -4.0531 -4.0531 -4.0519 -4.0519 -2.9497 -2.9497 -2.9332 -2.9332 -2.9324 -2.9324 -0.5123 -0.5123 -0.5068 -0.5068 -0.5066 -0.5066 -0.1943 -0.1943 -0.1937 -0.1937 -0.1742 -0.1742 1.5390 1.5390 2.6143 2.6143 2.6268 2.6268 2.6277 2.6277 3.1220 3.1220 3.1413 3.1413 3.1418 3.1418 3.8248 3.8248 3.8265 3.8265 4.1873 4.1873 4.1892 4.1892 k = 0.0000 0.0000 0.0000 ( 5575 PWs) bands (ev): -20.0168 -20.0168 -19.7468 -19.7468 -19.7468 -19.7468 -17.7576 -17.7576 -17.7576 -17.7576 -17.7576 -17.7576 -9.4529 -9.4529 -9.4529 -9.4529 -9.3305 -9.3305 -8.1211 -8.1211 -5.3189 -5.3189 -5.3189 -5.3189 -4.6714 -4.6714 -4.6067 -4.6067 -4.6067 -4.6067 -4.4820 -4.4820 -4.4820 -4.4820 -4.4818 -4.4818 -4.0616 -4.0616 -4.0533 -4.0533 -4.0533 -4.0533 -2.9495 -2.9495 -2.9325 -2.9325 -2.9325 -2.9325 -0.5122 -0.5122 -0.5067 -0.5067 -0.5067 -0.5067 -0.1934 -0.1934 -0.1934 -0.1934 -0.1736 -0.1736 1.5367 1.5367 2.6132 2.6132 2.6261 2.6261 2.6261 2.6261 3.1221 3.1221 3.1417 3.1417 3.1417 3.1417 3.8250 3.8250 3.8250 3.8250 4.1877 4.1877 4.1897 4.1897 k = 0.0000 0.0000 0.0000 ( 5575 PWs) bands (ev): -20.0168 -20.0168 -19.7468 -19.7468 -19.7468 -19.7468 -17.7576 -17.7576 -17.7576 -17.7576 -17.7576 -17.7576 -9.4529 -9.4529 -9.4529 -9.4529 -9.3305 -9.3305 -8.1211 -8.1211 -5.3189 -5.3189 -5.3189 -5.3189 -4.6714 -4.6714 -4.6067 -4.6067 -4.6067 -4.6067 -4.4820 -4.4820 -4.4820 -4.4820 -4.4818 -4.4818 -4.0616 -4.0616 -4.0533 -4.0533 -4.0533 -4.0533 -2.9495 -2.9495 -2.9325 -2.9325 -2.9325 -2.9325 -0.5122 -0.5122 -0.5067 -0.5067 -0.5067 -0.5067 -0.1934 -0.1934 -0.1934 -0.1934 -0.1736 -0.1736 1.5367 1.5367 2.6132 2.6132 2.6261 2.6261 2.6261 2.6261 3.1221 3.1221 3.1417 3.1417 3.1417 3.1417 3.8250 3.8250 3.8250 3.8250 4.1877 4.1877 4.1897 4.1897 k = 0.0098 0.0098 0.0098 ( 5617 PWs) bands (ev): -20.0166 -20.0166 -19.7469 -19.7469 -19.7469 -19.7469 -17.7578 -17.7578 -17.7577 -17.7577 -17.7577 -17.7577 -9.4523 -9.4523 -9.4523 -9.4523 -9.3300 -9.3300 -8.1213 -8.1213 -5.3195 -5.3195 -5.3194 -5.3194 -4.6717 -4.6717 -4.6088 -4.6088 -4.6086 -4.6086 -4.4828 -4.4828 -4.4816 -4.4816 -4.4815 -4.4815 -4.0611 -4.0611 -4.0530 -4.0530 -4.0520 -4.0520 -2.9497 -2.9497 -2.9332 -2.9332 -2.9324 -2.9324 -0.5123 -0.5123 -0.5068 -0.5068 -0.5066 -0.5066 -0.1943 -0.1943 -0.1937 -0.1937 -0.1742 -0.1742 1.5390 1.5390 2.6143 2.6143 2.6268 2.6268 2.6277 2.6277 3.1220 3.1220 3.1415 3.1415 3.1417 3.1417 3.8257 3.8257 3.8257 3.8257 4.1873 4.1879 4.1892 4.1896 k = 0.0196 0.0196 0.0196 ( 5623 PWs) bands (ev): -20.0159 -20.0159 -19.7469 -19.7469 -19.7469 -19.7469 -17.7581 -17.7581 -17.7580 -17.7580 -17.7580 -17.7580 -9.4507 -9.4507 -9.4506 -9.4506 -9.3285 -9.3285 -8.1222 -8.1222 -5.3204 -5.3204 -5.3202 -5.3202 -4.6720 -4.6720 -4.6145 -4.6145 -4.6137 -4.6137 -4.4853 -4.4853 -4.4806 -4.4806 -4.4804 -4.4804 -4.0603 -4.0603 -4.0512 -4.0512 -4.0481 -4.0481 -2.9507 -2.9507 -2.9349 -2.9349 -2.9320 -2.9320 -0.5124 -0.5124 -0.5071 -0.5071 -0.5061 -0.5061 -0.1971 -0.1971 -0.1944 -0.1944 -0.1758 -0.1758 1.5458 1.5458 2.6174 2.6174 2.6290 2.6290 2.6328 2.6328 3.1216 3.1216 3.1408 3.1408 3.1416 3.1416 3.8279 3.8279 3.8279 3.8279 4.1853 4.1854 4.1882 4.1886 k = 0.0294 0.0294 0.0294 ( 5623 PWs) bands (ev): -20.0148 -20.0148 -19.7471 -19.7471 -19.7471 -19.7471 -17.7587 -17.7587 -17.7586 -17.7586 -17.7586 -17.7586 -9.4478 -9.4478 -9.4478 -9.4478 -9.3260 -9.3260 -8.1237 -8.1237 -5.3218 -5.3218 -5.3217 -5.3217 -4.6725 -4.6725 -4.6232 -4.6232 -4.6216 -4.6216 -4.4895 -4.4895 -4.4797 -4.4797 -4.4792 -4.4792 -4.0612 -4.0612 -4.0461 -4.0461 -4.0415 -4.0415 -2.9531 -2.9531 -2.9368 -2.9368 -2.9314 -2.9314 -0.5129 -0.5129 -0.5072 -0.5072 -0.5053 -0.5053 -0.2019 -0.2019 -0.1956 -0.1956 -0.1780 -0.1780 1.5572 1.5572 2.6219 2.6219 2.6326 2.6326 2.6417 2.6417 3.1210 3.1210 3.1398 3.1398 3.1416 3.1416 3.8316 3.8316 3.8317 3.8317 4.1813 4.1813 4.1875 4.1875 k = 0.0392 0.0392 0.0392 ( 5617 PWs) bands (ev): -20.0133 -20.0133 -19.7473 -19.7473 -19.7473 -19.7473 -17.7595 -17.7595 -17.7595 -17.7595 -17.7593 -17.7593 -9.4439 -9.4439 -9.4439 -9.4439 -9.3225 -9.3225 -8.1258 -8.1258 -5.3239 -5.3239 -5.3236 -5.3236 -4.6733 -4.6733 -4.6341 -4.6341 -4.6315 -4.6315 -4.4954 -4.4954 -4.4795 -4.4795 -4.4788 -4.4788 -4.0637 -4.0637 -4.0377 -4.0377 -4.0322 -4.0322 -2.9580 -2.9580 -2.9377 -2.9377 -2.9305 -2.9305 -0.5141 -0.5141 -0.5069 -0.5069 -0.5042 -0.5042 -0.2090 -0.2090 -0.1973 -0.1973 -0.1807 -0.1807 1.5730 1.5730 2.6276 2.6276 2.6376 2.6376 2.6548 2.6548 3.1202 3.1202 3.1385 3.1385 3.1415 3.1415 3.8367 3.8367 3.8367 3.8367 4.1755 4.1755 4.1867 4.1867 k = 0.0490 0.0490 0.0490 ( 5617 PWs) bands (ev): -20.0114 -20.0114 -19.7475 -19.7475 -19.7475 -19.7475 -17.7606 -17.7606 -17.7605 -17.7605 -17.7603 -17.7603 -9.4389 -9.4389 -9.4389 -9.4389 -9.3181 -9.3181 -8.1284 -8.1284 -5.3265 -5.3265 -5.3262 -5.3262 -4.6746 -4.6746 -4.6468 -4.6468 -4.6426 -4.6426 -4.5029 -4.5029 -4.4806 -4.4806 -4.4797 -4.4797 -4.0674 -4.0674 -4.0263 -4.0263 -4.0203 -4.0203 -2.9655 -2.9655 -2.9375 -2.9375 -2.9294 -2.9294 -0.5164 -0.5164 -0.5060 -0.5060 -0.5028 -0.5028 -0.2184 -0.2184 -0.1995 -0.1995 -0.1837 -0.1837 1.5931 1.5931 2.6344 2.6344 2.6440 2.6440 2.6717 2.6717 3.1191 3.1191 3.1372 3.1372 3.1416 3.1416 3.8429 3.8429 3.8430 3.8430 4.1680 4.1680 4.1858 4.1858 k = 0.0588 0.0588 0.0588 ( 5623 PWs) bands (ev): -20.0091 -20.0091 -19.7478 -19.7478 -19.7478 -19.7478 -17.7618 -17.7618 -17.7618 -17.7618 -17.7615 -17.7615 -9.4327 -9.4327 -9.4327 -9.4327 -9.3126 -9.3126 -8.1316 -8.1316 -5.3298 -5.3298 -5.3293 -5.3293 -4.6769 -4.6769 -4.6607 -4.6607 -4.6538 -4.6538 -4.5121 -4.5121 -4.4836 -4.4836 -4.4824 -4.4824 -4.0722 -4.0722 -4.0123 -4.0123 -4.0057 -4.0057 -2.9750 -2.9750 -2.9363 -2.9363 -2.9280 -2.9280 -0.5196 -0.5196 -0.5048 -0.5048 -0.5012 -0.5012 -0.2297 -0.2297 -0.2021 -0.2021 -0.1870 -0.1870 1.6176 1.6176 2.6424 2.6424 2.6517 2.6517 2.6923 2.6923 3.1177 3.1177 3.1361 3.1361 3.1418 3.1418 3.8502 3.8502 3.8503 3.8503 4.1589 4.1589 4.1850 4.1850 k = 0.0686 0.0686 0.0686 ( 5617 PWs) bands (ev): -20.0064 -20.0064 -19.7482 -19.7482 -19.7481 -19.7481 -17.7633 -17.7633 -17.7633 -17.7633 -17.7628 -17.7628 -9.4255 -9.4255 -9.4255 -9.4255 -9.3062 -9.3062 -8.1354 -8.1354 -5.3335 -5.3335 -5.3329 -5.3329 -4.6819 -4.6819 -4.6752 -4.6752 -4.6632 -4.6632 -4.5229 -4.5229 -4.4887 -4.4887 -4.4874 -4.4874 -4.0783 -4.0783 -3.9957 -3.9957 -3.9885 -3.9885 -2.9860 -2.9860 -2.9344 -2.9344 -2.9263 -2.9263 -0.5239 -0.5239 -0.5033 -0.5033 -0.4994 -0.4994 -0.2429 -0.2429 -0.2052 -0.2052 -0.1905 -0.1905 1.6462 1.6462 2.6516 2.6516 2.6606 2.6606 2.7161 2.7161 3.1162 3.1162 3.1353 3.1353 3.1422 3.1422 3.8582 3.8582 3.8584 3.8584 4.1482 4.1482 4.1845 4.1856 k = 0.0784 0.0784 0.0784 ( 5617 PWs) bands (ev): -20.0032 -20.0032 -19.7486 -19.7486 -19.7485 -19.7485 -17.7651 -17.7651 -17.7650 -17.7650 -17.7644 -17.7644 -9.4172 -9.4172 -9.4172 -9.4172 -9.2989 -9.2989 -8.1397 -8.1397 -5.3379 -5.3379 -5.3370 -5.3370 -4.6913 -4.6913 -4.6901 -4.6901 -4.6686 -4.6686 -4.5353 -4.5353 -4.4962 -4.4962 -4.4947 -4.4947 -4.0857 -4.0857 -3.9766 -3.9766 -3.9689 -3.9689 -2.9980 -2.9980 -2.9321 -2.9321 -2.9243 -2.9243 -0.5292 -0.5292 -0.5015 -0.5015 -0.4973 -0.4973 -0.2576 -0.2576 -0.2086 -0.2086 -0.1944 -0.1944 1.6787 1.6787 2.6619 2.6619 2.6708 2.6708 2.7430 2.7430 3.1145 3.1145 3.1350 3.1350 3.1428 3.1428 3.8668 3.8668 3.8670 3.8670 4.1360 4.1360 4.1843 4.1843 k = 0.0882 0.0882 0.0882 ( 5617 PWs) bands (ev): -19.9997 -19.9997 -19.7490 -19.7490 -19.7490 -19.7490 -17.7670 -17.7670 -17.7669 -17.7669 -17.7662 -17.7662 -9.4078 -9.4078 -9.4078 -9.4078 -9.2906 -9.2906 -8.1445 -8.1445 -5.3427 -5.3427 -5.3416 -5.3416 -4.7052 -4.7052 -4.7036 -4.7036 -4.6713 -4.6713 -4.5493 -4.5493 -4.5061 -4.5061 -4.5045 -4.5045 -4.0945 -4.0945 -3.9552 -3.9552 -3.9470 -3.9470 -3.0107 -3.0107 -2.9292 -2.9292 -2.9220 -2.9220 -0.5357 -0.5357 -0.4996 -0.4996 -0.4952 -0.4952 -0.2735 -0.2735 -0.2125 -0.2125 -0.1986 -0.1986 1.7151 1.7151 2.6733 2.6733 2.6820 2.6820 2.7726 2.7726 3.1130 3.1130 3.1352 3.1352 3.1438 3.1438 3.8756 3.8756 3.8759 3.8759 4.1223 4.1223 4.1846 4.1846 k = 0.0980 0.0980 0.0980 ( 5614 PWs) bands (ev): -19.9958 -19.9958 -19.7495 -19.7495 -19.7494 -19.7494 -17.7691 -17.7691 -17.7691 -17.7691 -17.7682 -17.7682 -9.3974 -9.3974 -9.3974 -9.3974 -9.2814 -9.2814 -8.1498 -8.1498 -5.3481 -5.3481 -5.3467 -5.3467 -4.7203 -4.7203 -4.7170 -4.7170 -4.6730 -4.6730 -4.5649 -4.5649 -4.5184 -4.5184 -4.5166 -4.5166 -4.1048 -4.1048 -3.9317 -3.9317 -3.9230 -3.9230 -3.0237 -3.0237 -2.9259 -2.9259 -2.9193 -2.9193 -0.5436 -0.5436 -0.4975 -0.4975 -0.4929 -0.4929 -0.2904 -0.2904 -0.2167 -0.2167 -0.2031 -0.2031 1.7551 1.7551 2.6857 2.6857 2.6943 2.6943 2.8045 2.8045 3.1120 3.1120 3.1361 3.1361 3.1453 3.1453 3.8842 3.8842 3.8846 3.8846 4.1072 4.1072 4.1858 4.1858 k = 0.1078 0.1078 0.1078 ( 5620 PWs) bands (ev): -19.9915 -19.9915 -19.7500 -19.7500 -19.7499 -19.7499 -17.7715 -17.7715 -17.7714 -17.7714 -17.7703 -17.7703 -9.3860 -9.3860 -9.3859 -9.3859 -9.2713 -9.2713 -8.1556 -8.1556 -5.3539 -5.3539 -5.3524 -5.3524 -4.7354 -4.7354 -4.7307 -4.7307 -4.6743 -4.6743 -4.5820 -4.5820 -4.5329 -4.5329 -4.5310 -4.5310 -4.1167 -4.1167 -3.9062 -3.9062 -3.8971 -3.8971 -3.0366 -3.0366 -2.9223 -2.9223 -2.9164 -2.9164 -0.5528 -0.5528 -0.4955 -0.4955 -0.4906 -0.4906 -0.3080 -0.3080 -0.2212 -0.2212 -0.2079 -0.2079 1.7985 1.7985 2.6990 2.6990 2.7076 2.7076 2.8383 2.8383 3.1118 3.1118 3.1377 3.1377 3.1472 3.1472 3.8924 3.8924 3.8928 3.8928 4.0907 4.0907 4.1882 4.1882 k = 0.1176 0.1176 0.1176 ( 5626 PWs) bands (ev): -19.9869 -19.9869 -19.7506 -19.7506 -19.7505 -19.7505 -17.7740 -17.7740 -17.7740 -17.7740 -17.7727 -17.7727 -9.3735 -9.3735 -9.3735 -9.3735 -9.2602 -9.2602 -8.1619 -8.1619 -5.3603 -5.3603 -5.3585 -5.3585 -4.7502 -4.7502 -4.7443 -4.7443 -4.6755 -4.6755 -4.6007 -4.6007 -4.5497 -4.5497 -4.5476 -4.5476 -4.1304 -4.1304 -3.8790 -3.8790 -3.8695 -3.8695 -3.0491 -3.0491 -2.9182 -2.9182 -2.9131 -2.9131 -0.5635 -0.5635 -0.4934 -0.4934 -0.4883 -0.4883 -0.3259 -0.3259 -0.2260 -0.2260 -0.2130 -0.2130 1.8450 1.8450 2.7132 2.7132 2.7216 2.7216 2.8733 2.8733 3.1130 3.1130 3.1400 3.1400 3.1497 3.1497 3.8998 3.8998 3.9002 3.9002 4.0729 4.0729 4.1918 4.1918 k = 0.1275 0.1275 0.1275 ( 5623 PWs) bands (ev): -19.9819 -19.9819 -19.7512 -19.7512 -19.7511 -19.7511 -17.7767 -17.7767 -17.7767 -17.7767 -17.7752 -17.7752 -9.3601 -9.3601 -9.3600 -9.3600 -9.2484 -9.2484 -8.1685 -8.1685 -5.3670 -5.3670 -5.3650 -5.3650 -4.7647 -4.7647 -4.7579 -4.7579 -4.6766 -4.6766 -4.6208 -4.6208 -4.5685 -4.5685 -4.5662 -4.5662 -4.1458 -4.1458 -3.8502 -3.8502 -3.8404 -3.8404 -3.0611 -3.0611 -2.9137 -2.9137 -2.9094 -2.9094 -0.5756 -0.5756 -0.4914 -0.4914 -0.4861 -0.4861 -0.3440 -0.3440 -0.2311 -0.2311 -0.2184 -0.2184 1.8944 1.8944 2.7281 2.7281 2.7365 2.7365 2.9086 2.9086 3.1163 3.1163 3.1433 3.1433 3.1529 3.1529 3.9059 3.9059 3.9065 3.9065 4.0539 4.0539 4.1972 4.1972 k = 0.1373 0.1373 0.1373 ( 5629 PWs) bands (ev): -19.9767 -19.9767 -19.7518 -19.7518 -19.7517 -19.7517 -17.7796 -17.7796 -17.7795 -17.7795 -17.7779 -17.7779 -9.3458 -9.3458 -9.3457 -9.3457 -9.2357 -9.2357 -8.1756 -8.1756 -5.3741 -5.3741 -5.3720 -5.3720 -4.7790 -4.7790 -4.7712 -4.7712 -4.6777 -4.6777 -4.6423 -4.6423 -4.5890 -4.5890 -4.5867 -4.5867 -4.1631 -4.1631 -3.8201 -3.8201 -3.8100 -3.8100 -3.0721 -3.0721 -2.9088 -2.9088 -2.9054 -2.9054 -0.5893 -0.5893 -0.4896 -0.4896 -0.4840 -0.4840 -0.3622 -0.3622 -0.2364 -0.2364 -0.2239 -0.2239 1.9464 1.9464 2.7437 2.7437 2.7519 2.7519 2.9430 2.9430 3.1227 3.1227 3.1476 3.1476 3.1567 3.1567 3.9106 3.9106 3.9112 3.9112 4.0338 4.0338 4.2043 4.2043 k = 0.1471 0.1471 0.1471 ( 5623 PWs) bands (ev): -19.9711 -19.9711 -19.7524 -19.7524 -19.7523 -19.7523 -17.7826 -17.7826 -17.7826 -17.7826 -17.7808 -17.7808 -9.3305 -9.3305 -9.3304 -9.3304 -9.2221 -9.2221 -8.1831 -8.1831 -5.3816 -5.3816 -5.3794 -5.3794 -4.7930 -4.7930 -4.7842 -4.7842 -4.6789 -4.6789 -4.6649 -4.6649 -4.6112 -4.6112 -4.6087 -4.6087 -4.1822 -4.1822 -3.7887 -3.7887 -3.7784 -3.7784 -3.0819 -3.0819 -2.9035 -2.9035 -2.9010 -2.9010 -0.6043 -0.6043 -0.4879 -0.4879 -0.4822 -0.4822 -0.3801 -0.3801 -0.2418 -0.2418 -0.2296 -0.2296 2.0008 2.0008 2.7597 2.7597 2.7679 2.7679 2.9746 2.9746 3.1333 3.1333 3.1537 3.1537 3.1613 3.1613 3.9136 3.9136 3.9143 3.9143 4.0126 4.0126 4.2134 4.2134 k = 0.1569 0.1569 0.1569 ( 5635 PWs) bands (ev): -19.9652 -19.9652 -19.7531 -19.7531 -19.7530 -19.7530 -17.7858 -17.7858 -17.7858 -17.7858 -17.7838 -17.7838 -9.3143 -9.3143 -9.3142 -9.3142 -9.2078 -9.2078 -8.1908 -8.1908 -5.3895 -5.3895 -5.3871 -5.3871 -4.8069 -4.8069 -4.7972 -4.7972 -4.6901 -4.6901 -4.6793 -4.6793 -4.6345 -4.6345 -4.6322 -4.6322 -4.2032 -4.2032 -3.7564 -3.7564 -3.7459 -3.7459 -3.0905 -3.0905 -2.8978 -2.8978 -2.8961 -2.8961 -0.6206 -0.6206 -0.4866 -0.4866 -0.4807 -0.4807 -0.3979 -0.3979 -0.2473 -0.2473 -0.2355 -0.2355 2.0570 2.0570 2.7762 2.7762 2.7843 2.7843 3.0013 3.0013 3.1467 3.1467 3.1650 3.1650 3.1666 3.1666 3.9150 3.9150 3.9157 3.9157 3.9905 3.9905 4.2245 4.2245 k = 0.1667 0.1667 0.1667 ( 5617 PWs) bands (ev): -19.9590 -19.9590 -19.7538 -19.7538 -19.7537 -19.7537 -17.7892 -17.7892 -17.7891 -17.7891 -17.7870 -17.7870 -9.2973 -9.2973 -9.2971 -9.2971 -9.1928 -9.1928 -8.1989 -8.1989 -5.3975 -5.3975 -5.3951 -5.3951 -4.8205 -4.8205 -4.8099 -4.8099 -4.7152 -4.7152 -4.6821 -4.6821 -4.6576 -4.6576 -4.6568 -4.6568 -4.2260 -4.2260 -3.7231 -3.7231 -3.7125 -3.7125 -3.0977 -3.0977 -2.8916 -2.8916 -2.8909 -2.8909 -0.6381 -0.6381 -0.4857 -0.4857 -0.4796 -0.4796 -0.4154 -0.4154 -0.2528 -0.2528 -0.2413 -0.2413 2.1150 2.1150 2.7929 2.7929 2.8010 2.8010 3.0219 3.0219 3.1574 3.1574 3.1728 3.1728 3.1881 3.1881 3.9146 3.9146 3.9153 3.9153 3.9676 3.9676 4.2374 4.2374 k = 0.1765 0.1765 0.1765 ( 5629 PWs) bands (ev): -19.9527 -19.9527 -19.7546 -19.7546 -19.7544 -19.7544 -17.7926 -17.7926 -17.7926 -17.7926 -17.7903 -17.7903 -9.2794 -9.2794 -9.2793 -9.2793 -9.1770 -9.1770 -8.2073 -8.2073 -5.4060 -5.4060 -5.4035 -5.4035 -4.8343 -4.8343 -4.8229 -4.8229 -4.7419 -4.7419 -4.6928 -4.6928 -4.6822 -4.6822 -4.6734 -4.6734 -4.2504 -4.2504 -3.6891 -3.6891 -3.6785 -3.6785 -3.1034 -3.1034 -2.8852 -2.8852 -2.8851 -2.8851 -0.6565 -0.6565 -0.4854 -0.4854 -0.4791 -0.4791 -0.4325 -0.4325 -0.2582 -0.2582 -0.2472 -0.2472 2.1742 2.1742 2.8098 2.8098 2.8178 2.8178 3.0371 3.0371 3.1659 3.1659 3.1797 3.1797 3.2219 3.2219 3.9126 3.9126 3.9134 3.9134 3.9441 3.9441 4.2520 4.2520 k = 0.1863 0.1863 0.1863 ( 5635 PWs) bands (ev): -19.9460 -19.9460 -19.7553 -19.7553 -19.7551 -19.7551 -17.7962 -17.7962 -17.7962 -17.7962 -17.7937 -17.7937 -9.2608 -9.2608 -9.2607 -9.2607 -9.1605 -9.1605 -8.2158 -8.2158 -5.4147 -5.4147 -5.4122 -5.4122 -4.8485 -4.8485 -4.8362 -4.8362 -4.7697 -4.7697 -4.7157 -4.7157 -4.7080 -4.7080 -4.6772 -4.6772 -4.2765 -4.2765 -3.6545 -3.6545 -3.6439 -3.6439 -3.1076 -3.1076 -2.8790 -2.8790 -2.8781 -2.8781 -0.6755 -0.6755 -0.4857 -0.4857 -0.4792 -0.4792 -0.4494 -0.4494 -0.2634 -0.2634 -0.2528 -0.2528 2.2344 2.2344 2.8267 2.8267 2.8347 2.8347 3.0485 3.0485 3.1743 3.1743 3.1874 3.1874 3.2623 3.2623 3.9093 3.9093 3.9099 3.9099 3.9202 3.9202 4.2680 4.2680 k = 0.1961 0.1961 0.1961 ( 5638 PWs) bands (ev): -19.9392 -19.9392 -19.7561 -19.7561 -19.7559 -19.7559 -17.7999 -17.7999 -17.7999 -17.7999 -17.7972 -17.7972 -9.2415 -9.2415 -9.2413 -9.2413 -9.1434 -9.1434 -8.2246 -8.2246 -5.4236 -5.4236 -5.4210 -5.4210 -4.8634 -4.8634 -4.8505 -4.8505 -4.7986 -4.7986 -4.7410 -4.7410 -4.7336 -4.7336 -4.6784 -4.6784 -4.3039 -4.3039 -3.6194 -3.6194 -3.6089 -3.6089 -3.1104 -3.1104 -2.8723 -2.8723 -2.8706 -2.8706 -0.6951 -0.6951 -0.4870 -0.4870 -0.4802 -0.4802 -0.4659 -0.4659 -0.2684 -0.2684 -0.2583 -0.2583 2.2952 2.2952 2.8436 2.8436 2.8515 2.8515 3.0579 3.0579 3.1833 3.1833 3.1960 3.1960 3.3070 3.3070 3.8951 3.8951 3.9048 3.9048 3.9061 3.9061 4.2853 4.2853 k = 0.2059 0.2059 0.2059 ( 5632 PWs) bands (ev): -19.9322 -19.9322 -19.7568 -19.7568 -19.7566 -19.7566 -17.8037 -17.8037 -17.8036 -17.8036 -17.8009 -17.8009 -9.2215 -9.2215 -9.2213 -9.2213 -9.1258 -9.1258 -8.2335 -8.2335 -5.4326 -5.4326 -5.4301 -5.4301 -4.8797 -4.8797 -4.8663 -4.8663 -4.8284 -4.8284 -4.7657 -4.7657 -4.7583 -4.7583 -4.6788 -4.6788 -4.3327 -4.3327 -3.5840 -3.5840 -3.5737 -3.5737 -3.1117 -3.1117 -2.8651 -2.8651 -2.8627 -2.8627 -0.7149 -0.7149 -0.4903 -0.4903 -0.4820 -0.4820 -0.4810 -0.4810 -0.2729 -0.2729 -0.2634 -0.2634 2.3561 2.3561 2.8602 2.8602 2.8682 2.8682 3.0665 3.0665 3.1929 3.1929 3.2053 3.2053 3.3544 3.3544 3.8707 3.8707 3.8994 3.8994 3.9006 3.9006 4.3035 4.3035 k = 0.2157 0.2157 0.2157 ( 5641 PWs) bands (ev): -19.9250 -19.9250 -19.7576 -19.7576 -19.7574 -19.7574 -17.8075 -17.8075 -17.8075 -17.8075 -17.8046 -17.8046 -9.2009 -9.2009 -9.2006 -9.2006 -9.1076 -9.1076 -8.2426 -8.2426 -5.4418 -5.4418 -5.4393 -5.4393 -4.8980 -4.8980 -4.8848 -4.8848 -4.8591 -4.8591 -4.7885 -4.7885 -4.7814 -4.7814 -4.6791 -4.6791 -4.3624 -4.3624 -3.5484 -3.5484 -3.5383 -3.5383 -3.1117 -3.1117 -2.8574 -2.8574 -2.8543 -2.8543 -0.7347 -0.7347 -0.5014 -0.5014 -0.4892 -0.4892 -0.4849 -0.4849 -0.2770 -0.2770 -0.2680 -0.2680 2.4167 2.4167 2.8766 2.8766 2.8845 2.8845 3.0748 3.0748 3.2032 3.2032 3.2154 3.2154 3.4037 3.4037 3.8462 3.8462 3.8933 3.8933 3.8945 3.8945 4.3223 4.3223 k = 0.2255 0.2255 0.2255 ( 5629 PWs) bands (ev): -19.9177 -19.9177 -19.7584 -19.7584 -19.7581 -19.7581 -17.8114 -17.8114 -17.8114 -17.8114 -17.8085 -17.8085 -9.1797 -9.1797 -9.1794 -9.1794 -9.0889 -9.0889 -8.2517 -8.2517 -5.4510 -5.4510 -5.4485 -5.4485 -4.9190 -4.9190 -4.9066 -4.9066 -4.8906 -4.8906 -4.8081 -4.8081 -4.8019 -4.8019 -4.6790 -4.6790 -4.3930 -4.3930 -3.5128 -3.5128 -3.5030 -3.5030 -3.1105 -3.1105 -2.8490 -2.8490 -2.8454 -2.8454 -0.7543 -0.7543 -0.5170 -0.5170 -0.4938 -0.4938 -0.4889 -0.4889 -0.2804 -0.2804 -0.2721 -0.2721 2.4767 2.4767 2.8926 2.8926 2.9005 2.9005 3.0834 3.0834 3.2142 3.2142 3.2261 3.2261 3.4542 3.4542 3.8222 3.8222 3.8868 3.8868 3.8880 3.8880 4.3417 4.3417 k = 0.2353 0.2353 0.2353 ( 5635 PWs) bands (ev): -19.9103 -19.9103 -19.7591 -19.7591 -19.7589 -19.7589 -17.8154 -17.8154 -17.8154 -17.8154 -17.8123 -17.8123 -9.1579 -9.1579 -9.1577 -9.1577 -9.0698 -9.0698 -8.2608 -8.2608 -5.4604 -5.4604 -5.4579 -5.4579 -4.9432 -4.9432 -4.9323 -4.9323 -4.9228 -4.9228 -4.8244 -4.8244 -4.8195 -4.8195 -4.6789 -4.6789 -4.4243 -4.4243 -3.4773 -3.4773 -3.4679 -3.4679 -3.1081 -3.1081 -2.8401 -2.8401 -2.8359 -2.8359 -0.7736 -0.7736 -0.5332 -0.5332 -0.4991 -0.4991 -0.4942 -0.4942 -0.2832 -0.2832 -0.2756 -0.2756 2.5354 2.5354 2.9081 2.9081 2.9161 2.9161 3.0925 3.0925 3.2258 3.2258 3.2373 3.2373 3.5052 3.5052 3.7992 3.7992 3.8801 3.8801 3.8813 3.8813 4.3613 4.3613 k = 0.2451 0.2451 0.2451 ( 5638 PWs) bands (ev): -19.9028 -19.9028 -19.7599 -19.7599 -19.7596 -19.7596 -17.8194 -17.8194 -17.8194 -17.8194 -17.8163 -17.8163 -9.1358 -9.1358 -9.1355 -9.1355 -9.0503 -9.0503 -8.2699 -8.2699 -5.4697 -5.4697 -5.4674 -5.4674 -4.9702 -4.9702 -4.9612 -4.9612 -4.9555 -4.9555 -4.8375 -4.8375 -4.8342 -4.8342 -4.6786 -4.6786 -4.4560 -4.4560 -3.4421 -3.4421 -3.4331 -3.4331 -3.1047 -3.1047 -2.8305 -2.8305 -2.8259 -2.8259 -0.7924 -0.7924 -0.5494 -0.5494 -0.5056 -0.5056 -0.5008 -0.5008 -0.2852 -0.2852 -0.2784 -0.2784 2.5926 2.5926 2.9230 2.9230 2.9310 2.9310 3.1022 3.1022 3.2379 3.2379 3.2491 3.2491 3.5561 3.5561 3.7778 3.7778 3.8733 3.8733 3.8746 3.8746 4.3809 4.3809 k = 0.2549 0.2549 0.2549 ( 5638 PWs) bands (ev): -19.8953 -19.8953 -19.7606 -19.7606 -19.7604 -19.7604 -17.8234 -17.8234 -17.8234 -17.8234 -17.8203 -17.8203 -9.1132 -9.1132 -9.1130 -9.1130 -9.0306 -9.0306 -8.2789 -8.2789 -5.4791 -5.4791 -5.4768 -5.4768 -4.9997 -4.9997 -4.9925 -4.9925 -4.9885 -4.9885 -4.8483 -4.8483 -4.8464 -4.8464 -4.6782 -4.6782 -4.4879 -4.4879 -3.4073 -3.4073 -3.3988 -3.3988 -3.1005 -3.1005 -2.8201 -2.8201 -2.8152 -2.8152 -0.8105 -0.8105 -0.5656 -0.5656 -0.5133 -0.5133 -0.5087 -0.5087 -0.2865 -0.2865 -0.2804 -0.2804 2.6475 2.6475 2.9373 2.9373 2.9454 2.9454 3.1126 3.1126 3.2504 3.2504 3.2613 3.2613 3.6053 3.6053 3.7600 3.7600 3.8666 3.8666 3.8680 3.8680 4.4004 4.4004 k = 0.2647 0.2647 0.2647 ( 5641 PWs) bands (ev): -19.8877 -19.8877 -19.7614 -19.7614 -19.7611 -19.7611 -17.8274 -17.8274 -17.8274 -17.8274 -17.8243 -17.8243 -9.0904 -9.0904 -9.0901 -9.0901 -9.0106 -9.0106 -8.2878 -8.2878 -5.4884 -5.4884 -5.4862 -5.4862 -5.0310 -5.0310 -5.0255 -5.0255 -5.0220 -5.0220 -4.8573 -4.8573 -4.8565 -4.8565 -4.6777 -4.6777 -4.5198 -4.5198 -3.3730 -3.3730 -3.3651 -3.3651 -3.0955 -3.0955 -2.8090 -2.8090 -2.8038 -2.8038 -0.8278 -0.8278 -0.5818 -0.5818 -0.5223 -0.5223 -0.5180 -0.5180 -0.2871 -0.2871 -0.2816 -0.2816 2.6999 2.6999 2.9508 2.9508 2.9590 2.9590 3.1235 3.1235 3.2632 3.2632 3.2738 3.2738 3.6478 3.6478 3.7509 3.7509 3.8603 3.8603 3.8618 3.8618 4.4197 4.4197 k = 0.2745 0.2745 0.2745 ( 5653 PWs) bands (ev): -19.8802 -19.8802 -19.7621 -19.7621 -19.7618 -19.7618 -17.8314 -17.8314 -17.8314 -17.8314 -17.8283 -17.8283 -9.0673 -9.0673 -9.0670 -9.0670 -8.9905 -8.9905 -8.2966 -8.2966 -5.4976 -5.4976 -5.4955 -5.4955 -5.0636 -5.0636 -5.0593 -5.0593 -5.0560 -5.0560 -4.8650 -4.8650 -4.8650 -4.8650 -4.6771 -4.6771 -4.5516 -4.5516 -3.3395 -3.3395 -3.3323 -3.3323 -3.0899 -3.0899 -2.7970 -2.7970 -2.7917 -2.7917 -0.8444 -0.8444 -0.5978 -0.5978 -0.5326 -0.5326 -0.5285 -0.5285 -0.2869 -0.2869 -0.2821 -0.2821 2.7492 2.7492 2.9636 2.9636 2.9719 2.9719 3.1347 3.1347 3.2763 3.2763 3.2864 3.2864 3.6705 3.6705 3.7639 3.7639 3.8545 3.8545 3.8561 3.8561 4.4385 4.4385 k = 0.2843 0.2843 0.2843 ( 5647 PWs) bands (ev): -19.8726 -19.8726 -19.7628 -19.7628 -19.7625 -19.7625 -17.8354 -17.8354 -17.8354 -17.8354 -17.8323 -17.8323 -9.0441 -9.0441 -9.0438 -9.0438 -8.9703 -8.9703 -8.3051 -8.3051 -5.5067 -5.5067 -5.5047 -5.5047 -5.0970 -5.0970 -5.0935 -5.0935 -5.0904 -5.0904 -4.8722 -4.8722 -4.8716 -4.8716 -4.6764 -4.6764 -4.5830 -4.5830 -3.3069 -3.3069 -3.3005 -3.3005 -3.0838 -3.0838 -2.7842 -2.7842 -2.7788 -2.7788 -0.8600 -0.8600 -0.6137 -0.6137 -0.5441 -0.5441 -0.5401 -0.5401 -0.2861 -0.2861 -0.2820 -0.2820 2.7949 2.7949 2.9755 2.9755 2.9839 2.9839 3.1459 3.1459 3.2894 3.2894 3.2991 3.2991 3.6706 3.6706 3.8022 3.8022 3.8494 3.8494 3.8512 3.8512 4.4569 4.4569 k = 0.2941 0.2941 0.2941 ( 5641 PWs) bands (ev): -19.8652 -19.8652 -19.7635 -19.7635 -19.7632 -19.7632 -17.8394 -17.8394 -17.8393 -17.8393 -17.8363 -17.8363 -9.0208 -9.0208 -9.0205 -9.0205 -8.9502 -8.9502 -8.3134 -8.3134 -5.5155 -5.5155 -5.5137 -5.5137 -5.1308 -5.1308 -5.1279 -5.1279 -5.1249 -5.1249 -4.8784 -4.8784 -4.8774 -4.8774 -4.6757 -4.6757 -4.6138 -4.6138 -3.2754 -3.2754 -3.2698 -3.2698 -3.0773 -3.0773 -2.7704 -2.7704 -2.7651 -2.7651 -0.8747 -0.8747 -0.6293 -0.6293 -0.5567 -0.5567 -0.5529 -0.5529 -0.2847 -0.2847 -0.2811 -0.2811 2.8370 2.8370 2.9865 2.9865 2.9951 2.9951 3.1565 3.1565 3.3026 3.3026 3.3118 3.3118 3.6635 3.6635 3.8434 3.8434 3.8450 3.8450 3.8547 3.8547 4.4746 4.4747 k = 0.3039 0.3039 0.3039 ( 5647 PWs) bands (ev): -19.8578 -19.8578 -19.7642 -19.7642 -19.7639 -19.7639 -17.8432 -17.8432 -17.8432 -17.8432 -17.8403 -17.8403 -8.9976 -8.9976 -8.9972 -8.9972 -8.9302 -8.9302 -8.3213 -8.3213 -5.5243 -5.5243 -5.5226 -5.5226 -5.1648 -5.1648 -5.1622 -5.1622 -5.1594 -5.1594 -4.8838 -4.8838 -4.8826 -4.8826 -4.6753 -4.6753 -4.6437 -4.6437 -3.2452 -3.2452 -3.2405 -3.2405 -3.0705 -3.0705 -2.7557 -2.7557 -2.7506 -2.7506 -0.8884 -0.8884 -0.6447 -0.6447 -0.5703 -0.5703 -0.5667 -0.5667 -0.2828 -0.2828 -0.2797 -0.2797 2.8751 2.8751 2.9966 2.9966 3.0053 3.0053 3.1659 3.1659 3.3156 3.3156 3.3243 3.3243 3.6570 3.6570 3.8414 3.8414 3.8422 3.8422 3.9048 3.9048 4.4917 4.4917 k = 0.3137 0.3137 0.3137 ( 5656 PWs) bands (ev): -19.8506 -19.8506 -19.7649 -19.7649 -19.7645 -19.7645 -17.8470 -17.8470 -17.8470 -17.8470 -17.8442 -17.8442 -8.9744 -8.9744 -8.9740 -8.9740 -8.9105 -8.9105 -8.3289 -8.3289 -5.5329 -5.5329 -5.5312 -5.5312 -5.1986 -5.1986 -5.1964 -5.1964 -5.1937 -5.1937 -4.8886 -4.8886 -4.8871 -4.8871 -4.6794 -4.6794 -4.6683 -4.6683 -3.2164 -3.2164 -3.2127 -3.2127 -3.0636 -3.0636 -2.7399 -2.7399 -2.7351 -2.7351 -0.9011 -0.9011 -0.6598 -0.6598 -0.5849 -0.5849 -0.5813 -0.5813 -0.2805 -0.2805 -0.2779 -0.2779 2.9093 2.9093 3.0057 3.0057 3.0145 3.0145 3.1733 3.1733 3.3285 3.3285 3.3366 3.3366 3.6535 3.6535 3.8387 3.8387 3.8397 3.8397 3.9583 3.9583 4.5079 4.5082 k = 0.3235 0.3235 0.3235 ( 5650 PWs) bands (ev): -19.8435 -19.8435 -19.7655 -19.7655 -19.7651 -19.7651 -17.8508 -17.8508 -17.8507 -17.8507 -17.8481 -17.8481 -8.9515 -8.9515 -8.9511 -8.9511 -8.8910 -8.8910 -8.3361 -8.3361 -5.5411 -5.5411 -5.5396 -5.5396 -5.2322 -5.2322 -5.2301 -5.2301 -5.2275 -5.2275 -4.8927 -4.8927 -4.8911 -4.8911 -4.7040 -4.7040 -4.6714 -4.6714 -3.1892 -3.1892 -3.1865 -3.1865 -3.0566 -3.0566 -2.7232 -2.7232 -2.7187 -2.7187 -0.9128 -0.9128 -0.6746 -0.6746 -0.6002 -0.6002 -0.5967 -0.5967 -0.2778 -0.2778 -0.2756 -0.2756 2.9399 2.9399 3.0138 3.0138 3.0227 3.0227 3.1781 3.1781 3.3411 3.3411 3.3486 3.3486 3.6542 3.6542 3.8370 3.8370 3.8380 3.8380 4.0124 4.0124 4.5235 4.5240 k = 0.3333 0.3333 0.3333 ( 5644 PWs) bands (ev): -19.8365 -19.8365 -19.7661 -19.7661 -19.7657 -19.7657 -17.8544 -17.8544 -17.8544 -17.8544 -17.8518 -17.8518 -8.9289 -8.9289 -8.9285 -8.9285 -8.8721 -8.8721 -8.3429 -8.3429 -5.5491 -5.5491 -5.5477 -5.5477 -5.2652 -5.2652 -5.2633 -5.2633 -5.2607 -5.2607 -4.8963 -4.8963 -4.8947 -4.8947 -4.7312 -4.7312 -4.6708 -4.6708 -3.1637 -3.1637 -3.1620 -3.1620 -3.0495 -3.0495 -2.7056 -2.7056 -2.7015 -2.7015 -0.9236 -0.9236 -0.6889 -0.6889 -0.6161 -0.6161 -0.6126 -0.6126 -0.2748 -0.2748 -0.2729 -0.2729 2.9670 2.9670 3.0209 3.0209 3.0300 3.0300 3.1797 3.1797 3.3533 3.3533 3.3603 3.3603 3.6594 3.6594 3.8363 3.8363 3.8372 3.8372 4.0665 4.0665 4.5381 4.5384 k = 0.3431 0.3431 0.3431 ( 5656 PWs) bands (ev): -19.8298 -19.8298 -19.7667 -19.7667 -19.7663 -19.7663 -17.8579 -17.8579 -17.8578 -17.8578 -17.8555 -17.8555 -8.9068 -8.9068 -8.9063 -8.9063 -8.8536 -8.8536 -8.3491 -8.3491 -5.5568 -5.5568 -5.5555 -5.5555 -5.2975 -5.2975 -5.2958 -5.2958 -5.2932 -5.2932 -4.8995 -4.8995 -4.8979 -4.8979 -4.7576 -4.7576 -4.6699 -4.6699 -3.1400 -3.1400 -3.1393 -3.1393 -3.0426 -3.0426 -2.6871 -2.6871 -2.6835 -2.6835 -0.9333 -0.9333 -0.7027 -0.7027 -0.6326 -0.6326 -0.6290 -0.6290 -0.2716 -0.2716 -0.2701 -0.2701 2.9910 2.9910 3.0271 3.0271 3.0362 3.0362 3.1781 3.1781 3.3652 3.3652 3.3715 3.3715 3.6687 3.6687 3.8364 3.8364 3.8372 3.8372 4.1202 4.1202 4.5518 4.5529 k = 0.3529 0.3529 0.3529 ( 5674 PWs) bands (ev): -19.8234 -19.8234 -19.7672 -19.7672 -19.7668 -19.7668 -17.8612 -17.8612 -17.8612 -17.8612 -17.8590 -17.8590 -8.8851 -8.8851 -8.8847 -8.8847 -8.8359 -8.8359 -8.3548 -8.3548 -5.5642 -5.5642 -5.5630 -5.5630 -5.3290 -5.3290 -5.3274 -5.3274 -5.3248 -5.3248 -4.9023 -4.9023 -4.9008 -4.9008 -4.7829 -4.7829 -4.6689 -4.6689 -3.1184 -3.1184 -3.1181 -3.1181 -3.0357 -3.0357 -2.6680 -2.6680 -2.6648 -2.6648 -0.9422 -0.9422 -0.7160 -0.7160 -0.6493 -0.6493 -0.6457 -0.6457 -0.2683 -0.2683 -0.2670 -0.2670 3.0121 3.0121 3.0325 3.0325 3.0414 3.0414 3.1735 3.1735 3.3766 3.3766 3.3822 3.3822 3.6818 3.6818 3.8375 3.8375 3.8381 3.8381 4.1732 4.1732 4.5646 4.5647 k = 0.3627 0.3627 0.3627 ( 5671 PWs) bands (ev): -19.8171 -19.8171 -19.7677 -19.7677 -19.7673 -19.7673 -17.8644 -17.8644 -17.8644 -17.8644 -17.8624 -17.8624 -8.8641 -8.8641 -8.8637 -8.8637 -8.8189 -8.8189 -8.3600 -8.3600 -5.5712 -5.5712 -5.5701 -5.5701 -5.3593 -5.3593 -5.3580 -5.3580 -5.3554 -5.3554 -4.9047 -4.9047 -4.9033 -4.9033 -4.8069 -4.8069 -4.6679 -4.6679 -3.0994 -3.0994 -3.0981 -3.0981 -3.0291 -3.0291 -2.6483 -2.6483 -2.6456 -2.6456 -0.9501 -0.9501 -0.7287 -0.7287 -0.6663 -0.6663 -0.6625 -0.6625 -0.2649 -0.2649 -0.2638 -0.2638 3.0295 3.0295 3.0383 3.0383 3.0457 3.0457 3.1662 3.1662 3.3875 3.3875 3.3925 3.3925 3.6977 3.6977 3.8393 3.8393 3.8398 3.8398 4.2252 4.2252 4.5765 4.5765 k = 0.3725 0.3725 0.3725 ( 5671 PWs) bands (ev): -19.8112 -19.8112 -19.7682 -19.7682 -19.7678 -19.7678 -17.8675 -17.8675 -17.8675 -17.8675 -17.8657 -17.8657 -8.8439 -8.8439 -8.8434 -8.8434 -8.8027 -8.8027 -8.3645 -8.3645 -5.5778 -5.5778 -5.5769 -5.5769 -5.3884 -5.3884 -5.3872 -5.3872 -5.3847 -5.3847 -4.9069 -4.9069 -4.9055 -4.9055 -4.8296 -4.8296 -4.6668 -4.6668 -3.0821 -3.0821 -3.0800 -3.0800 -3.0226 -3.0226 -2.6282 -2.6282 -2.6260 -2.6260 -0.9572 -0.9572 -0.7407 -0.7407 -0.6832 -0.6832 -0.6794 -0.6794 -0.2614 -0.2614 -0.2606 -0.2606 3.0376 3.0376 3.0491 3.0491 3.0505 3.0505 3.1570 3.1570 3.3979 3.3979 3.4023 3.4023 3.7156 3.7156 3.8419 3.8419 3.8422 3.8422 4.2759 4.2759 4.5874 4.5874 k = 0.3824 0.3824 0.3824 ( 5682 PWs) bands (ev): -19.8056 -19.8056 -19.7687 -19.7687 -19.7682 -19.7682 -17.8704 -17.8704 -17.8704 -17.8704 -17.8688 -17.8688 -8.8246 -8.8246 -8.8241 -8.8241 -8.7876 -8.7876 -8.3685 -8.3685 -5.5841 -5.5841 -5.5833 -5.5833 -5.4161 -5.4161 -5.4151 -5.4151 -5.4126 -5.4126 -4.9087 -4.9087 -4.9075 -4.9075 -4.8509 -4.8509 -4.6658 -4.6658 -3.0666 -3.0666 -3.0637 -3.0637 -3.0165 -3.0165 -2.6080 -2.6080 -2.6063 -2.6063 -0.9636 -0.9636 -0.7520 -0.7520 -0.7000 -0.7000 -0.6960 -0.6960 -0.2580 -0.2580 -0.2573 -0.2573 3.0407 3.0407 3.0517 3.0517 3.0650 3.0650 3.1464 3.1464 3.4077 3.4077 3.4115 3.4115 3.7346 3.7346 3.8450 3.8450 3.8451 3.8451 4.3249 4.3249 4.5975 4.5977 k = 0.3922 0.3922 0.3922 ( 5682 PWs) bands (ev): -19.8004 -19.8004 -19.7691 -19.7691 -19.7686 -19.7686 -17.8731 -17.8731 -17.8731 -17.8731 -17.8717 -17.8717 -8.8063 -8.8063 -8.8057 -8.8057 -8.7735 -8.7735 -8.3718 -8.3718 -5.5899 -5.5899 -5.5892 -5.5892 -5.4423 -5.4423 -5.4415 -5.4415 -5.4390 -5.4390 -4.9103 -4.9103 -4.9093 -4.9093 -4.8707 -4.8707 -4.6648 -4.6648 -3.0527 -3.0527 -3.0492 -3.0492 -3.0106 -3.0106 -2.5880 -2.5880 -2.5867 -2.5867 -0.9691 -0.9691 -0.7626 -0.7626 -0.7164 -0.7164 -0.7123 -0.7123 -0.2547 -0.2547 -0.2541 -0.2541 3.0426 3.0426 3.0535 3.0535 3.0784 3.0784 3.1351 3.1351 3.4169 3.4169 3.4201 3.4201 3.7540 3.7540 3.8485 3.8485 3.8485 3.8485 4.3721 4.3721 4.6066 4.6067 k = 0.4020 0.4020 0.4020 ( 5682 PWs) bands (ev): -19.7955 -19.7955 -19.7695 -19.7695 -19.7690 -19.7690 -17.8756 -17.8756 -17.8756 -17.8756 -17.8744 -17.8744 -8.7890 -8.7890 -8.7885 -8.7885 -8.7606 -8.7606 -8.3746 -8.3746 -5.5953 -5.5953 -5.5947 -5.5947 -5.4667 -5.4667 -5.4661 -5.4661 -5.4637 -5.4637 -4.9117 -4.9117 -4.9108 -4.9108 -4.8889 -4.8889 -4.6639 -4.6639 -3.0404 -3.0404 -3.0365 -3.0365 -3.0050 -3.0050 -2.5685 -2.5685 -2.5674 -2.5674 -0.9740 -0.9740 -0.7724 -0.7724 -0.7322 -0.7322 -0.7280 -0.7280 -0.2515 -0.2515 -0.2510 -0.2510 3.0437 3.0437 3.0548 3.0548 3.0900 3.0900 3.1238 3.1238 3.4255 3.4255 3.4282 3.4282 3.7731 3.7731 3.8522 3.8522 3.8524 3.8524 4.4168 4.4168 4.6148 4.6152 k = 0.4118 0.4118 0.4118 ( 5679 PWs) bands (ev): -19.7910 -19.7910 -19.7698 -19.7698 -19.7693 -19.7693 -17.8779 -17.8779 -17.8779 -17.8779 -17.8769 -17.8769 -8.7730 -8.7730 -8.7725 -8.7725 -8.7488 -8.7488 -8.3767 -8.3767 -5.6003 -5.6003 -5.5998 -5.5998 -5.4893 -5.4893 -5.4888 -5.4888 -5.4866 -5.4866 -4.9128 -4.9128 -4.9121 -4.9121 -4.9055 -4.9055 -4.6630 -4.6630 -3.0296 -3.0296 -3.0255 -3.0255 -2.9997 -2.9997 -2.5497 -2.5497 -2.5489 -2.5489 -0.9783 -0.9783 -0.7813 -0.7813 -0.7473 -0.7473 -0.7430 -0.7430 -0.2484 -0.2484 -0.2481 -0.2481 3.0443 3.0443 3.0554 3.0554 3.0983 3.0983 3.1147 3.1147 3.4334 3.4334 3.4356 3.4356 3.7915 3.7915 3.8560 3.8560 3.8564 3.8564 4.4588 4.4588 4.6222 4.6222 k = 0.4216 0.4216 0.4216 ( 5685 PWs) bands (ev): -19.7869 -19.7869 -19.7701 -19.7701 -19.7696 -19.7696 -17.8800 -17.8800 -17.8799 -17.8799 -17.8792 -17.8792 -8.7584 -8.7584 -8.7578 -8.7578 -8.7384 -8.7384 -8.3784 -8.3784 -5.6048 -5.6048 -5.6044 -5.6044 -5.5098 -5.5098 -5.5095 -5.5095 -5.5075 -5.5075 -4.9206 -4.9206 -4.9138 -4.9138 -4.9132 -4.9132 -4.6622 -4.6622 -3.0202 -3.0202 -3.0161 -3.0161 -2.9947 -2.9947 -2.5319 -2.5319 -2.5313 -2.5313 -0.9819 -0.9819 -0.7895 -0.7895 -0.7615 -0.7615 -0.7571 -0.7571 -0.2456 -0.2456 -0.2453 -0.2453 3.0443 3.0443 3.0557 3.0557 3.0960 3.0960 3.1155 3.1155 3.4406 3.4406 3.4423 3.4423 3.8087 3.8087 3.8599 3.8599 3.8603 3.8603 4.4977 4.4977 4.6288 4.6290 k = 0.4314 0.4314 0.4314 ( 5673 PWs) bands (ev): -19.7833 -19.7833 -19.7704 -19.7704 -19.7699 -19.7699 -17.8818 -17.8818 -17.8818 -17.8818 -17.8812 -17.8812 -8.7452 -8.7452 -8.7446 -8.7446 -8.7291 -8.7291 -8.3796 -8.3796 -5.6089 -5.6089 -5.6086 -5.6086 -5.5282 -5.5282 -5.5281 -5.5281 -5.5263 -5.5263 -4.9339 -4.9339 -4.9146 -4.9146 -4.9141 -4.9141 -4.6613 -4.6613 -3.0121 -3.0121 -3.0083 -3.0083 -2.9900 -2.9900 -2.5154 -2.5154 -2.5150 -2.5150 -0.9851 -0.9851 -0.7967 -0.7967 -0.7744 -0.7744 -0.7701 -0.7701 -0.2430 -0.2430 -0.2428 -0.2428 3.0440 3.0440 3.0557 3.0557 3.0872 3.0872 3.1225 3.1225 3.4471 3.4471 3.4484 3.4484 3.8244 3.8244 3.8636 3.8636 3.8642 3.8642 4.5330 4.5330 4.6345 4.6348 k = 0.4412 0.4412 0.4412 ( 5667 PWs) bands (ev): -19.7801 -19.7801 -19.7706 -19.7706 -19.7701 -19.7701 -17.8835 -17.8835 -17.8834 -17.8834 -17.8830 -17.8830 -8.7335 -8.7335 -8.7329 -8.7329 -8.7212 -8.7212 -8.3803 -8.3803 -5.6126 -5.6126 -5.6123 -5.6123 -5.5444 -5.5444 -5.5443 -5.5443 -5.5428 -5.5428 -4.9455 -4.9455 -4.9153 -4.9153 -4.9149 -4.9149 -4.6607 -4.6607 -3.0052 -3.0052 -3.0019 -3.0019 -2.9856 -2.9856 -2.5005 -2.5005 -2.5003 -2.5003 -0.9877 -0.9877 -0.8032 -0.8032 -0.7860 -0.7860 -0.7818 -0.7818 -0.2407 -0.2407 -0.2406 -0.2406 3.0434 3.0434 3.0554 3.0554 3.0783 3.0783 3.1294 3.1294 3.4528 3.4528 3.4537 3.4537 3.8384 3.8384 3.8671 3.8671 3.8679 3.8679 4.5644 4.5644 4.6397 4.6399 k = 0.4510 0.4510 0.4510 ( 5649 PWs) bands (ev): -19.7774 -19.7774 -19.7708 -19.7708 -19.7703 -19.7703 -17.8848 -17.8848 -17.8848 -17.8848 -17.8845 -17.8845 -8.7235 -8.7235 -8.7229 -8.7229 -8.7146 -8.7146 -8.3808 -8.3808 -5.6157 -5.6157 -5.6155 -5.6155 -5.5583 -5.5583 -5.5580 -5.5580 -5.5569 -5.5569 -4.9553 -4.9553 -4.9158 -4.9158 -4.9155 -4.9155 -4.6600 -4.6600 -2.9995 -2.9995 -2.9969 -2.9969 -2.9816 -2.9816 -2.4874 -2.4874 -2.4873 -2.4873 -0.9899 -0.9899 -0.8088 -0.8088 -0.7960 -0.7960 -0.7921 -0.7921 -0.2387 -0.2387 -0.2386 -0.2386 3.0425 3.0425 3.0550 3.0550 3.0705 3.0705 3.1354 3.1354 3.4577 3.4577 3.4583 3.4583 3.8504 3.8504 3.8703 3.8703 3.8711 3.8711 4.5913 4.5913 4.6442 4.6444 k = 0.4608 0.4608 0.4608 ( 5643 PWs) bands (ev): -19.7751 -19.7751 -19.7710 -19.7710 -19.7705 -19.7705 -17.8860 -17.8860 -17.8859 -17.8859 -17.8857 -17.8857 -8.7151 -8.7151 -8.7145 -8.7145 -8.7091 -8.7091 -8.3810 -8.3810 -5.6185 -5.6185 -5.6183 -5.6183 -5.5698 -5.5698 -5.5692 -5.5692 -5.5685 -5.5685 -4.9634 -4.9634 -4.9162 -4.9162 -4.9161 -4.9161 -4.6595 -4.6595 -2.9949 -2.9949 -2.9931 -2.9931 -2.9781 -2.9781 -2.4764 -2.4764 -2.4763 -2.4763 -0.9916 -0.9916 -0.8138 -0.8138 -0.8040 -0.8040 -0.8007 -0.8007 -0.2370 -0.2370 -0.2370 -0.2370 3.0414 3.0414 3.0546 3.0546 3.0641 3.0641 3.1404 3.1404 3.4617 3.4617 3.4621 3.4621 3.8605 3.8605 3.8731 3.8731 3.8739 3.8739 4.6132 4.6132 4.6486 4.6490 k = 0.4706 0.4706 0.4706 ( 5643 PWs) bands (ev): -19.7734 -19.7734 -19.7711 -19.7711 -19.7706 -19.7706 -17.8869 -17.8869 -17.8868 -17.8868 -17.8867 -17.8867 -8.7086 -8.7086 -8.7080 -8.7080 -8.7050 -8.7050 -8.3811 -8.3811 -5.6208 -5.6208 -5.6206 -5.6206 -5.5788 -5.5788 -5.5779 -5.5779 -5.5775 -5.5775 -4.9698 -4.9698 -4.9165 -4.9165 -4.9165 -4.9165 -4.6591 -4.6591 -2.9914 -2.9914 -2.9903 -2.9903 -2.9753 -2.9753 -2.4676 -2.4676 -2.4676 -2.4676 -0.9929 -0.9929 -0.8182 -0.8182 -0.8100 -0.8100 -0.8075 -0.8075 -0.2357 -0.2357 -0.2357 -0.2357 3.0402 3.0402 3.0541 3.0541 3.0592 3.0592 3.1443 3.1443 3.4649 3.4649 3.4651 3.4651 3.8683 3.8683 3.8753 3.8753 3.8762 3.8762 4.6293 4.6293 4.6532 4.6532 k = 0.4804 0.4804 0.4804 ( 5616 PWs) bands (ev): -19.7722 -19.7722 -19.7711 -19.7711 -19.7707 -19.7707 -17.8875 -17.8875 -17.8875 -17.8875 -17.8874 -17.8874 -8.7039 -8.7039 -8.7032 -8.7032 -8.7020 -8.7020 -8.3811 -8.3811 -5.6224 -5.6224 -5.6223 -5.6223 -5.5853 -5.5853 -5.5840 -5.5840 -5.5839 -5.5839 -4.9743 -4.9743 -4.9167 -4.9167 -4.9167 -4.9167 -4.6587 -4.6587 -2.9889 -2.9889 -2.9884 -2.9884 -2.9732 -2.9732 -2.4612 -2.4612 -2.4612 -2.4612 -0.9939 -0.9939 -0.8218 -0.8218 -0.8138 -0.8138 -0.8125 -0.8125 -0.2347 -0.2347 -0.2347 -0.2347 3.0391 3.0391 3.0538 3.0538 3.0559 3.0559 3.1472 3.1472 3.4672 3.4672 3.4673 3.4673 3.8739 3.8739 3.8770 3.8770 3.8779 3.8779 4.6388 4.6388 4.6586 4.6586 k = 0.4902 0.4902 0.4902 ( 5616 PWs) bands (ev): -19.7717 -19.7717 -19.7709 -19.7709 -19.7708 -19.7708 -17.8879 -17.8879 -17.8879 -17.8879 -17.8878 -17.8878 -8.7012 -8.7012 -8.7004 -8.7004 -8.7001 -8.7001 -8.3811 -8.3811 -5.6235 -5.6235 -5.6235 -5.6235 -5.5893 -5.5893 -5.5877 -5.5877 -5.5876 -5.5876 -4.9770 -4.9770 -4.9168 -4.9168 -4.9168 -4.9168 -4.6586 -4.6586 -2.9874 -2.9874 -2.9873 -2.9873 -2.9720 -2.9720 -2.4573 -2.4573 -2.4573 -2.4573 -0.9944 -0.9944 -0.8242 -0.8242 -0.8159 -0.8159 -0.8156 -0.8156 -0.2341 -0.2341 -0.2341 -0.2341 3.0382 3.0382 3.0536 3.0536 3.0541 3.0541 3.1488 3.1488 3.4685 3.4685 3.4686 3.4686 3.8769 3.8769 3.8785 3.8785 3.8789 3.8789 4.6431 4.6431 4.6633 4.6633 k = 0.5000 0.5000 0.5000 ( 5616 PWs) bands (ev): -19.7716 -19.7716 -19.7708 -19.7708 -19.7708 -19.7708 -17.8880 -17.8880 -17.8880 -17.8880 -17.8880 -17.8880 -8.7003 -8.7003 -8.6994 -8.6994 -8.6994 -8.6994 -8.3811 -8.3811 -5.6239 -5.6239 -5.6239 -5.6239 -5.5906 -5.5906 -5.5889 -5.5889 -5.5889 -5.5889 -4.9779 -4.9779 -4.9169 -4.9169 -4.9169 -4.9169 -4.6585 -4.6585 -2.9869 -2.9869 -2.9869 -2.9869 -2.9715 -2.9715 -2.4560 -2.4560 -2.4560 -2.4560 -0.9946 -0.9946 -0.8251 -0.8251 -0.8166 -0.8166 -0.8166 -0.8166 -0.2340 -0.2340 -0.2340 -0.2340 3.0379 3.0379 3.0535 3.0535 3.0535 3.0535 3.1494 3.1494 3.4690 3.4690 3.4690 3.4690 3.8776 3.8776 3.8792 3.8792 3.8792 3.8792 4.6443 4.6443 4.6652 4.6652 k = 0.5000 0.5000 0.5000 ( 5616 PWs) bands (ev): -19.7716 -19.7716 -19.7708 -19.7708 -19.7708 -19.7708 -17.8880 -17.8880 -17.8880 -17.8880 -17.8880 -17.8880 -8.7003 -8.7003 -8.6994 -8.6994 -8.6994 -8.6994 -8.3811 -8.3811 -5.6239 -5.6239 -5.6239 -5.6239 -5.5906 -5.5906 -5.5889 -5.5889 -5.5889 -5.5889 -4.9779 -4.9779 -4.9169 -4.9169 -4.9169 -4.9169 -4.6585 -4.6585 -2.9869 -2.9869 -2.9869 -2.9869 -2.9715 -2.9715 -2.4560 -2.4560 -2.4560 -2.4560 -0.9946 -0.9946 -0.8251 -0.8251 -0.8166 -0.8166 -0.8166 -0.8166 -0.2340 -0.2340 -0.2340 -0.2340 3.0379 3.0379 3.0535 3.0535 3.0535 3.0535 3.1494 3.1494 3.4690 3.4690 3.4690 3.4690 3.8776 3.8776 3.8792 3.8792 3.8792 3.8792 4.6443 4.6443 4.6652 4.6652 k = 0.4881 0.5000 0.4881 ( 5616 PWs) bands (ev): -19.7717 -19.7717 -19.7709 -19.7709 -19.7708 -19.7708 -17.8880 -17.8880 -17.8878 -17.8878 -17.8878 -17.8878 -8.7014 -8.7014 -8.7006 -8.7006 -8.6996 -8.6996 -8.3811 -8.3811 -5.6236 -5.6236 -5.6233 -5.6233 -5.5897 -5.5897 -5.5878 -5.5878 -5.5872 -5.5872 -4.9770 -4.9770 -4.9169 -4.9169 -4.9168 -4.9168 -4.6586 -4.6586 -2.9874 -2.9874 -2.9872 -2.9872 -2.9720 -2.9720 -2.4579 -2.4579 -2.4567 -2.4567 -0.9944 -0.9944 -0.8242 -0.8242 -0.8160 -0.8160 -0.8155 -0.8155 -0.2344 -0.2344 -0.2339 -0.2339 3.0382 3.0382 3.0536 3.0536 3.0541 3.0541 3.1489 3.1489 3.4685 3.4685 3.4687 3.4687 3.8770 3.8770 3.8784 3.8784 3.8789 3.8789 4.6431 4.6431 4.6634 4.6634 k = 0.4762 0.5000 0.4762 ( 5616 PWs) bands (ev): -19.7721 -19.7721 -19.7713 -19.7713 -19.7706 -19.7706 -17.8880 -17.8880 -17.8873 -17.8873 -17.8872 -17.8872 -8.7049 -8.7049 -8.7042 -8.7042 -8.6998 -8.6998 -8.3811 -8.3811 -5.6230 -5.6230 -5.6218 -5.6218 -5.5887 -5.5887 -5.5828 -5.5828 -5.5820 -5.5820 -4.9744 -4.9744 -4.9169 -4.9169 -4.9165 -4.9165 -4.6587 -4.6587 -2.9890 -2.9890 -2.9882 -2.9882 -2.9732 -2.9732 -2.4634 -2.4634 -2.4588 -2.4588 -0.9939 -0.9939 -0.8220 -0.8220 -0.8143 -0.8143 -0.8121 -0.8121 -0.2359 -0.2359 -0.2335 -0.2335 3.0390 3.0390 3.0538 3.0538 3.0559 3.0559 3.1472 3.1472 3.4668 3.4668 3.4677 3.4677 3.8744 3.8744 3.8765 3.8765 3.8780 3.8780 4.6391 4.6392 4.6583 4.6588 k = 0.4643 0.5000 0.4643 ( 5644 PWs) bands (ev): -19.7729 -19.7729 -19.7719 -19.7719 -19.7703 -19.7703 -17.8879 -17.8879 -17.8864 -17.8864 -17.8862 -17.8862 -8.7110 -8.7110 -8.7101 -8.7101 -8.6999 -8.6999 -8.3811 -8.3811 -5.6221 -5.6221 -5.6195 -5.6195 -5.5877 -5.5877 -5.5739 -5.5739 -5.5732 -5.5732 -4.9699 -4.9699 -4.9170 -4.9170 -4.9161 -4.9161 -4.6591 -4.6591 -2.9916 -2.9916 -2.9900 -2.9900 -2.9752 -2.9752 -2.4726 -2.4726 -2.4622 -2.4622 -0.9930 -0.9930 -0.8185 -0.8185 -0.8114 -0.8114 -0.8061 -0.8061 -0.2382 -0.2382 -0.2331 -0.2331 3.0401 3.0401 3.0541 3.0541 3.0592 3.0592 3.1444 3.1444 3.4641 3.4641 3.4660 3.4660 3.8694 3.8694 3.8737 3.8737 3.8768 3.8768 4.6309 4.6309 4.6506 4.6506 k = 0.4524 0.5000 0.4524 ( 5652 PWs) bands (ev): -19.7743 -19.7743 -19.7726 -19.7726 -19.7697 -19.7697 -17.8878 -17.8878 -17.8851 -17.8851 -17.8849 -17.8849 -8.7195 -8.7195 -8.7183 -8.7183 -8.7001 -8.7001 -8.3811 -8.3811 -5.6210 -5.6210 -5.6164 -5.6164 -5.5863 -5.5863 -5.5615 -5.5615 -5.5607 -5.5607 -4.9638 -4.9638 -4.9169 -4.9169 -4.9153 -4.9153 -4.6595 -4.6595 -2.9953 -2.9953 -2.9925 -2.9925 -2.9779 -2.9779 -2.4852 -2.4852 -2.4670 -2.4670 -0.9917 -0.9917 -0.8141 -0.8141 -0.8075 -0.8075 -0.7977 -0.7977 -0.2415 -0.2415 -0.2323 -0.2323 3.0413 3.0413 3.0544 3.0544 3.0641 3.0641 3.1406 3.1406 3.4603 3.4603 3.4638 3.4638 3.8625 3.8625 3.8699 3.8699 3.8753 3.8753 4.6176 4.6176 4.6414 4.6415 k = 0.4405 0.5000 0.4405 ( 5656 PWs) bands (ev): -19.7760 -19.7760 -19.7734 -19.7734 -19.7690 -19.7690 -17.8877 -17.8877 -17.8835 -17.8835 -17.8831 -17.8831 -8.7303 -8.7303 -8.7286 -8.7286 -8.7003 -8.7003 -8.3810 -8.3810 -5.6196 -5.6196 -5.6125 -5.6125 -5.5846 -5.5846 -5.5457 -5.5457 -5.5447 -5.5447 -4.9562 -4.9562 -4.9166 -4.9166 -4.9143 -4.9143 -4.6600 -4.6600 -3.0001 -3.0001 -2.9960 -2.9960 -2.9811 -2.9811 -2.5008 -2.5008 -2.4731 -2.4731 -0.9900 -0.9900 -0.8088 -0.8088 -0.8024 -0.8024 -0.7868 -0.7868 -0.2457 -0.2457 -0.2314 -0.2314 3.0423 3.0423 3.0548 3.0548 3.0707 3.0707 3.1357 3.1357 3.4555 3.4555 3.4609 3.4609 3.8537 3.8537 3.8651 3.8651 3.8735 3.8735 4.5991 4.5991 4.6305 4.6305 k = 0.4286 0.5000 0.4286 ( 5660 PWs) bands (ev): -19.7781 -19.7781 -19.7745 -19.7745 -19.7682 -19.7682 -17.8876 -17.8876 -17.8815 -17.8815 -17.8810 -17.8810 -8.7433 -8.7433 -8.7411 -8.7411 -8.7006 -8.7006 -8.3807 -8.3807 -5.6179 -5.6179 -5.6079 -5.6079 -5.5824 -5.5824 -5.5266 -5.5266 -5.5252 -5.5252 -4.9474 -4.9474 -4.9157 -4.9157 -4.9130 -4.9130 -4.6606 -4.6606 -3.0061 -3.0061 -3.0006 -3.0006 -2.9846 -2.9846 -2.5194 -2.5194 -2.4805 -2.4805 -0.9879 -0.9879 -0.8025 -0.8025 -0.7963 -0.7963 -0.7738 -0.7738 -0.2508 -0.2508 -0.2302 -0.2302 3.0432 3.0432 3.0552 3.0552 3.0787 3.0787 3.1297 3.1297 3.4496 3.4496 3.4576 3.4576 3.8431 3.8431 3.8592 3.8592 3.8713 3.8713 4.5764 4.5764 4.6178 4.6178 k = 0.4167 0.5000 0.4167 ( 5660 PWs) bands (ev): -19.7805 -19.7805 -19.7757 -19.7757 -19.7671 -19.7671 -17.8874 -17.8874 -17.8793 -17.8793 -17.8786 -17.8786 -8.7582 -8.7582 -8.7556 -8.7556 -8.7009 -8.7009 -8.3803 -8.3803 -5.6161 -5.6161 -5.6027 -5.6027 -5.5799 -5.5799 -5.5044 -5.5044 -5.5025 -5.5025 -4.9384 -4.9384 -4.9136 -4.9136 -4.9110 -4.9110 -4.6612 -4.6612 -3.0134 -3.0134 -3.0063 -3.0063 -2.9884 -2.9884 -2.5404 -2.5404 -2.4892 -2.4892 -0.9855 -0.9855 -0.7952 -0.7952 -0.7891 -0.7891 -0.7591 -0.7591 -0.2567 -0.2567 -0.2288 -0.2288 3.0437 3.0437 3.0554 3.0554 3.0882 3.0882 3.1227 3.1227 3.4428 3.4428 3.4537 3.4537 3.8308 3.8308 3.8524 3.8524 3.8689 3.8689 4.5499 4.5499 4.6032 4.6032 k = 0.4048 0.5000 0.4048 ( 5668 PWs) bands (ev): -19.7833 -19.7833 -19.7770 -19.7770 -19.7660 -19.7660 -17.8872 -17.8872 -17.8767 -17.8767 -17.8758 -17.8758 -8.7751 -8.7751 -8.7721 -8.7721 -8.7013 -8.7013 -8.3796 -8.3796 -5.6142 -5.6142 -5.5969 -5.5969 -5.5771 -5.5771 -5.4792 -5.4792 -5.4768 -5.4768 -4.9314 -4.9314 -4.9108 -4.9108 -4.9057 -4.9057 -4.6620 -4.6620 -3.0221 -3.0221 -3.0131 -3.0131 -2.9924 -2.9924 -2.5636 -2.5636 -2.4990 -2.4990 -0.9825 -0.9825 -0.7871 -0.7871 -0.7809 -0.7809 -0.7427 -0.7427 -0.2633 -0.2633 -0.2271 -0.2271 3.0440 3.0440 3.0554 3.0554 3.0987 3.0987 3.1148 3.1148 3.4350 3.4350 3.4494 3.4494 3.8170 3.8170 3.8447 3.8447 3.8663 3.8663 4.5204 4.5204 4.5866 4.5866 k = 0.3929 0.5000 0.3929 ( 5662 PWs) bands (ev): -19.7864 -19.7864 -19.7786 -19.7786 -19.7647 -19.7647 -17.8870 -17.8870 -17.8738 -17.8738 -17.8727 -17.8727 -8.7935 -8.7935 -8.7904 -8.7904 -8.7017 -8.7017 -8.3787 -8.3787 -5.6121 -5.6121 -5.5904 -5.5904 -5.5738 -5.5738 -5.4513 -5.4513 -5.4484 -5.4484 -4.9280 -4.9280 -4.9084 -4.9084 -4.8942 -4.8942 -4.6627 -4.6627 -3.0324 -3.0324 -3.0208 -3.0208 -2.9966 -2.9966 -2.5886 -2.5886 -2.5100 -2.5100 -0.9791 -0.9791 -0.7781 -0.7781 -0.7718 -0.7718 -0.7252 -0.7252 -0.2707 -0.2707 -0.2252 -0.2252 3.0439 3.0439 3.0551 3.0551 3.1047 3.1047 3.1115 3.1115 3.4263 3.4263 3.4448 3.4448 3.8019 3.8019 3.8361 3.8361 3.8636 3.8636 4.4882 4.4882 4.5681 4.5681 k = 0.3810 0.5000 0.3810 ( 5670 PWs) bands (ev): -19.7898 -19.7898 -19.7802 -19.7802 -19.7633 -19.7633 -17.8868 -17.8868 -17.8706 -17.8706 -17.8693 -17.8693 -8.8135 -8.8135 -8.8104 -8.8104 -8.7021 -8.7021 -8.3775 -8.3775 -5.6099 -5.6099 -5.5835 -5.5835 -5.5702 -5.5702 -5.4209 -5.4209 -5.4174 -5.4174 -4.9268 -4.9268 -4.9060 -4.9060 -4.8785 -4.8785 -4.6635 -4.6635 -3.0446 -3.0446 -3.0294 -3.0294 -3.0011 -3.0011 -2.6148 -2.6148 -2.5221 -2.5221 -0.9752 -0.9752 -0.7682 -0.7682 -0.7618 -0.7618 -0.7066 -0.7066 -0.2788 -0.2788 -0.2230 -0.2230 3.0432 3.0432 3.0543 3.0543 3.0954 3.0954 3.1235 3.1235 3.4167 3.4167 3.4399 3.4399 3.7855 3.7855 3.8266 3.8266 3.8608 3.8608 4.4539 4.4539 4.5478 4.5478 k = 0.3690 0.5000 0.3690 ( 5666 PWs) bands (ev): -19.7935 -19.7935 -19.7820 -19.7820 -19.7617 -19.7617 -17.8866 -17.8866 -17.8671 -17.8671 -17.8656 -17.8656 -8.8349 -8.8349 -8.8318 -8.8318 -8.7025 -8.7025 -8.3760 -8.3760 -5.6076 -5.6076 -5.5761 -5.5761 -5.5660 -5.5660 -5.3883 -5.3883 -5.3841 -5.3841 -4.9266 -4.9266 -4.9033 -4.9033 -4.8599 -4.8599 -4.6644 -4.6644 -3.0587 -3.0587 -3.0387 -3.0387 -3.0059 -3.0059 -2.6418 -2.6418 -2.5352 -2.5352 -0.9708 -0.9708 -0.7577 -0.7577 -0.7511 -0.7511 -0.6874 -0.6874 -0.2875 -0.2875 -0.2206 -0.2206 3.0418 3.0418 3.0530 3.0530 3.0848 3.0848 3.1366 3.1366 3.4064 3.4064 3.4349 3.4349 3.7682 3.7682 3.8165 3.8165 3.8582 3.8582 4.4181 4.4181 4.5258 4.5258 k = 0.3571 0.5000 0.3571 ( 5654 PWs) bands (ev): -19.7974 -19.7974 -19.7840 -19.7840 -19.7600 -19.7600 -17.8863 -17.8863 -17.8634 -17.8634 -17.8617 -17.8617 -8.8573 -8.8573 -8.8545 -8.8545 -8.7030 -8.7030 -8.3742 -8.3742 -5.6052 -5.6052 -5.5689 -5.5689 -5.5607 -5.5607 -5.3535 -5.3535 -5.3489 -5.3489 -4.9268 -4.9268 -4.9001 -4.9001 -4.8392 -4.8392 -4.6652 -4.6652 -3.0749 -3.0749 -3.0487 -3.0487 -3.0110 -3.0110 -2.6693 -2.6693 -2.5492 -2.5492 -0.9657 -0.9657 -0.7464 -0.7464 -0.7395 -0.7395 -0.6677 -0.6677 -0.2967 -0.2967 -0.2179 -0.2179 3.0393 3.0393 3.0508 3.0508 3.0735 3.0735 3.1503 3.1503 3.3952 3.3952 3.4298 3.4298 3.7499 3.7499 3.8057 3.8057 3.8557 3.8557 4.3812 4.3812 4.5022 4.5022 k = 0.3452 0.5000 0.3452 ( 5662 PWs) bands (ev): -19.8016 -19.8016 -19.7860 -19.7860 -19.7583 -19.7583 -17.8861 -17.8861 -17.8595 -17.8595 -17.8576 -17.8576 -8.8807 -8.8807 -8.8784 -8.8784 -8.7035 -8.7035 -8.3722 -8.3722 -5.6029 -5.6029 -5.5626 -5.5626 -5.5539 -5.5539 -5.3170 -5.3170 -5.3119 -5.3119 -4.9274 -4.9274 -4.8966 -4.8966 -4.8164 -4.8164 -4.6661 -4.6661 -3.0935 -3.0935 -3.0592 -3.0592 -3.0164 -3.0164 -2.6969 -2.6969 -2.5642 -2.5642 -0.9600 -0.9600 -0.7345 -0.7345 -0.7274 -0.7274 -0.6477 -0.6477 -0.3064 -0.3064 -0.2150 -0.2150 3.0353 3.0353 3.0474 3.0474 3.0623 3.0623 3.1642 3.1642 3.3834 3.3834 3.4247 3.4247 3.7310 3.7310 3.7943 3.7943 3.8535 3.8535 4.3437 4.3437 4.4771 4.4771 k = 0.3333 0.5000 0.3333 ( 5670 PWs) bands (ev): -19.8059 -19.8059 -19.7881 -19.7881 -19.7564 -19.7564 -17.8858 -17.8858 -17.8554 -17.8554 -17.8533 -17.8533 -8.9049 -8.9049 -8.9031 -8.9031 -8.7040 -8.7040 -8.3699 -8.3699 -5.6005 -5.6005 -5.5572 -5.5572 -5.5455 -5.5455 -5.2789 -5.2789 -5.2734 -5.2734 -4.9281 -4.9281 -4.8927 -4.8927 -4.7918 -4.7918 -4.6670 -4.6670 -3.1144 -3.1144 -3.0703 -3.0703 -3.0221 -3.0221 -2.7241 -2.7241 -2.5798 -2.5798 -0.9537 -0.9537 -0.7220 -0.7220 -0.7147 -0.7147 -0.6278 -0.6278 -0.3165 -0.3165 -0.2119 -0.2119 3.0285 3.0285 3.0421 3.0421 3.0525 3.0525 3.1782 3.1782 3.3710 3.3710 3.4197 3.4197 3.7115 3.7115 3.7826 3.7826 3.8517 3.8517 4.3061 4.3061 4.4507 4.4507 k = 0.3214 0.5000 0.3214 ( 5662 PWs) bands (ev): -19.8104 -19.8104 -19.7904 -19.7904 -19.7545 -19.7545 -17.8855 -17.8855 -17.8511 -17.8511 -17.8488 -17.8488 -8.9297 -8.9297 -8.9287 -8.9287 -8.7046 -8.7046 -8.3673 -8.3673 -5.5981 -5.5981 -5.5522 -5.5522 -5.5360 -5.5360 -5.2395 -5.2395 -5.2337 -5.2337 -4.9289 -4.9289 -4.8882 -4.8882 -4.7654 -4.7654 -4.6678 -4.6678 -3.1379 -3.1379 -3.0818 -3.0818 -3.0282 -3.0282 -2.7506 -2.7506 -2.5962 -2.5962 -0.9466 -0.9466 -0.7091 -0.7091 -0.7016 -0.7016 -0.6080 -0.6080 -0.3269 -0.3269 -0.2086 -0.2086 3.0179 3.0179 3.0351 3.0351 3.0451 3.0451 3.1921 3.1921 3.3581 3.3581 3.4149 3.4149 3.6917 3.6917 3.7705 3.7705 3.8503 3.8503 4.2689 4.2689 4.4233 4.4233 k = 0.3095 0.5000 0.3095 ( 5660 PWs) bands (ev): -19.8151 -19.8151 -19.7927 -19.7927 -19.7524 -19.7524 -17.8852 -17.8852 -17.8467 -17.8467 -17.8442 -17.8442 -8.9551 -8.9551 -8.9546 -8.9546 -8.7051 -8.7051 -8.3646 -8.3646 -5.5957 -5.5957 -5.5473 -5.5473 -5.5259 -5.5259 -5.1990 -5.1990 -5.1932 -5.1932 -4.9298 -4.9298 -4.8831 -4.8831 -4.7374 -4.7374 -4.6686 -4.6686 -3.1639 -3.1639 -3.0937 -3.0937 -3.0345 -3.0345 -2.7762 -2.7762 -2.6131 -2.6131 -0.9388 -0.9388 -0.6957 -0.6957 -0.6881 -0.6881 -0.5887 -0.5887 -0.3376 -0.3376 -0.2052 -0.2052 3.0036 3.0036 3.0271 3.0271 3.0386 3.0386 3.2058 3.2058 3.3448 3.3448 3.4104 3.4104 3.6717 3.6717 3.7584 3.7584 3.8495 3.8495 4.2324 4.2324 4.3949 4.3949 k = 0.2976 0.5000 0.2976 ( 5648 PWs) bands (ev): -19.8198 -19.8198 -19.7950 -19.7950 -19.7504 -19.7504 -17.8849 -17.8849 -17.8421 -17.8421 -17.8394 -17.8394 -8.9814 -8.9814 -8.9802 -8.9802 -8.7057 -8.7057 -8.3616 -8.3616 -5.5933 -5.5933 -5.5423 -5.5423 -5.5152 -5.5152 -5.1577 -5.1577 -5.1520 -5.1520 -4.9307 -4.9307 -4.8773 -4.8773 -4.7079 -4.7079 -4.6691 -4.6691 -3.1923 -3.1923 -3.1059 -3.1059 -3.0411 -3.0411 -2.8009 -2.8009 -2.6304 -2.6304 -0.9302 -0.9302 -0.6819 -0.6819 -0.6744 -0.6744 -0.5699 -0.5699 -0.3483 -0.3483 -0.2017 -0.2017 2.9868 2.9868 3.0181 3.0181 3.0318 3.0318 3.2192 3.2192 3.3311 3.3311 3.4063 3.4063 3.6516 3.6516 3.7463 3.7463 3.8494 3.8494 4.1970 4.1970 4.3659 4.3660 k = 0.2857 0.5000 0.2857 ( 5656 PWs) bands (ev): -19.8247 -19.8247 -19.7975 -19.7975 -19.7482 -19.7482 -17.8845 -17.8845 -17.8374 -17.8374 -17.8346 -17.8346 -9.0081 -9.0081 -9.0058 -9.0058 -8.7063 -8.7063 -8.3584 -8.3584 -5.5911 -5.5911 -5.5373 -5.5373 -5.5043 -5.5043 -5.1157 -5.1157 -5.1105 -5.1105 -4.9316 -4.9316 -4.8709 -4.8709 -4.6789 -4.6789 -4.6676 -4.6676 -3.2231 -3.2231 -3.1185 -3.1185 -3.0480 -3.0480 -2.8246 -2.8246 -2.6480 -2.6480 -0.9208 -0.9208 -0.6679 -0.6679 -0.6605 -0.6605 -0.5517 -0.5517 -0.3591 -0.3591 -0.1983 -0.1983 2.9680 2.9680 3.0080 3.0080 3.0241 3.0241 3.2320 3.2320 3.3171 3.3171 3.4025 3.4025 3.6316 3.6316 3.7345 3.7345 3.8498 3.8498 4.1630 4.1630 4.3365 4.3365 k = 0.2738 0.5000 0.2738 ( 5660 PWs) bands (ev): -19.8296 -19.8296 -19.7999 -19.7999 -19.7461 -19.7461 -17.8842 -17.8842 -17.8326 -17.8326 -17.8298 -17.8298 -9.0349 -9.0349 -9.0313 -9.0313 -8.7069 -8.7069 -8.3551 -8.3551 -5.5889 -5.5889 -5.5323 -5.5323 -5.4930 -5.4930 -5.0735 -5.0735 -5.0691 -5.0691 -4.9326 -4.9326 -4.8635 -4.8635 -4.6721 -4.6721 -4.6425 -4.6425 -3.2559 -3.2559 -3.1312 -3.1312 -3.0552 -3.0552 -2.8474 -2.8474 -2.6657 -2.6657 -0.9106 -0.9106 -0.6537 -0.6537 -0.6466 -0.6466 -0.5344 -0.5344 -0.3698 -0.3698 -0.1949 -0.1949 2.9475 2.9475 2.9965 2.9965 3.0153 3.0153 3.2443 3.2443 3.3030 3.3030 3.3992 3.3992 3.6116 3.6116 3.7232 3.7232 3.8508 3.8508 4.1307 4.1307 4.3070 4.3070 k = 0.2619 0.5000 0.2619 ( 5648 PWs) bands (ev): -19.8345 -19.8345 -19.8024 -19.8024 -19.7438 -19.7438 -17.8839 -17.8839 -17.8278 -17.8278 -17.8249 -17.8249 -9.0615 -9.0615 -9.0567 -9.0567 -8.7074 -8.7074 -8.3517 -8.3517 -5.5868 -5.5868 -5.5272 -5.5272 -5.4816 -5.4816 -5.0313 -5.0313 -5.0280 -5.0280 -4.9333 -4.9333 -4.8550 -4.8550 -4.6722 -4.6722 -4.6091 -4.6091 -3.2905 -3.2905 -3.1440 -3.1440 -3.0626 -3.0626 -2.8695 -2.8695 -2.6833 -2.6833 -0.8997 -0.8997 -0.6393 -0.6393 -0.6328 -0.6328 -0.5180 -0.5180 -0.3803 -0.3803 -0.1916 -0.1916 2.9253 2.9253 2.9837 2.9837 3.0054 3.0054 3.2560 3.2560 3.2890 3.2890 3.3962 3.3962 3.5918 3.5918 3.7126 3.7126 3.8522 3.8522 4.1001 4.1001 4.2778 4.2778 k = 0.2500 0.5000 0.2500 ( 5660 PWs) bands (ev): -19.8395 -19.8395 -19.8048 -19.8048 -19.7416 -19.7416 -17.8835 -17.8835 -17.8230 -17.8230 -17.8200 -17.8200 -9.0880 -9.0880 -9.0817 -9.0817 -8.7080 -8.7080 -8.3482 -8.3482 -5.5848 -5.5848 -5.5221 -5.5221 -5.4701 -5.4701 -4.9905 -4.9905 -4.9870 -4.9870 -4.9337 -4.9337 -4.8452 -4.8452 -4.6727 -4.6727 -4.5741 -4.5741 -3.3266 -3.3266 -3.1568 -3.1568 -3.0701 -3.0701 -2.8912 -2.8912 -2.7007 -2.7007 -0.8880 -0.8880 -0.6249 -0.6249 -0.6191 -0.6191 -0.5027 -0.5027 -0.3905 -0.3905 -0.1885 -0.1885 2.9014 2.9014 2.9698 2.9698 2.9944 2.9944 3.2665 3.2665 3.2754 3.2754 3.3937 3.3937 3.5722 3.5722 3.7029 3.7029 3.8539 3.8539 4.0714 4.0714 4.2492 4.2492 k = 0.2381 0.5000 0.2381 ( 5644 PWs) bands (ev): -19.8444 -19.8444 -19.8073 -19.8073 -19.7394 -19.7394 -17.8832 -17.8832 -17.8181 -17.8181 -17.8151 -17.8151 -9.1140 -9.1140 -9.1062 -9.1062 -8.7086 -8.7086 -8.3446 -8.3446 -5.5829 -5.5829 -5.5170 -5.5170 -5.4584 -5.4584 -4.9551 -4.9551 -4.9460 -4.9460 -4.9304 -4.9304 -4.8333 -4.8333 -4.6730 -4.6730 -4.5381 -4.5381 -3.3638 -3.3638 -3.1697 -3.1697 -3.0779 -3.0779 -2.9126 -2.9126 -2.7177 -2.7177 -0.8756 -0.8756 -0.6105 -0.6105 -0.6056 -0.6056 -0.4884 -0.4884 -0.4001 -0.4001 -0.1858 -0.1858 2.8759 2.8759 2.9550 2.9550 2.9823 2.9823 3.2604 3.2604 3.2780 3.2780 3.3914 3.3914 3.5528 3.5528 3.6943 3.6943 3.8555 3.8555 4.0447 4.0447 4.2218 4.2218 k = 0.2262 0.5000 0.2262 ( 5646 PWs) bands (ev): -19.8492 -19.8492 -19.8097 -19.8097 -19.7372 -19.7372 -17.8829 -17.8829 -17.8133 -17.8133 -17.8103 -17.8103 -9.1396 -9.1396 -9.1303 -9.1303 -8.7091 -8.7091 -8.3409 -8.3409 -5.5811 -5.5811 -5.5120 -5.5120 -5.4469 -5.4469 -4.9418 -4.9418 -4.9114 -4.9114 -4.9017 -4.9017 -4.8189 -4.8189 -4.6733 -4.6733 -4.5012 -4.5012 -3.4017 -3.4017 -3.1824 -3.1824 -3.0857 -3.0857 -2.9341 -2.9341 -2.7340 -2.7340 -0.8626 -0.8626 -0.5963 -0.5963 -0.5924 -0.5924 -0.4753 -0.4753 -0.4090 -0.4090 -0.1835 -0.1835 2.8488 2.8488 2.9395 2.9395 2.9693 2.9693 3.2470 3.2470 3.2877 3.2877 3.3894 3.3894 3.5336 3.5336 3.6869 3.6869 3.8567 3.8567 4.0199 4.0199 4.1959 4.1959 k = 0.2143 0.5000 0.2143 ( 5650 PWs) bands (ev): -19.8540 -19.8540 -19.8121 -19.8121 -19.7350 -19.7350 -17.8825 -17.8825 -17.8086 -17.8086 -17.8056 -17.8056 -9.1645 -9.1645 -9.1536 -9.1536 -8.7097 -8.7097 -8.3372 -8.3372 -5.5794 -5.5794 -5.5071 -5.5071 -5.4356 -5.4356 -4.9411 -4.9411 -4.8807 -4.8807 -4.8612 -4.8612 -4.8005 -4.8005 -4.6736 -4.6736 -4.4638 -4.4638 -3.4399 -3.4399 -3.1950 -3.1950 -3.0937 -3.0937 -2.9558 -2.9558 -2.7497 -2.7497 -0.8491 -0.8491 -0.5824 -0.5824 -0.5795 -0.5795 -0.4636 -0.4636 -0.4170 -0.4170 -0.1817 -0.1817 2.8204 2.8204 2.9235 2.9235 2.9556 2.9556 3.2337 3.2337 3.2969 3.2969 3.3876 3.3876 3.5147 3.5147 3.6809 3.6809 3.8569 3.8569 3.9970 3.9970 4.1722 4.1722 k = 0.2024 0.5000 0.2024 ( 5642 PWs) bands (ev): -19.8587 -19.8587 -19.8145 -19.8145 -19.7328 -19.7328 -17.8822 -17.8822 -17.8039 -17.8039 -17.8010 -17.8010 -9.1887 -9.1887 -9.1762 -9.1762 -8.7102 -8.7102 -8.3336 -8.3336 -5.5777 -5.5777 -5.5022 -5.5022 -5.4243 -5.4243 -4.9418 -4.9418 -4.8545 -4.8545 -4.8210 -4.8210 -4.7771 -4.7771 -4.6737 -4.6737 -4.4260 -4.4260 -3.4781 -3.4781 -3.2074 -3.2074 -3.1017 -3.1017 -2.9780 -2.9780 -2.7644 -2.7644 -0.8351 -0.8351 -0.5694 -0.5694 -0.5666 -0.5666 -0.4534 -0.4534 -0.4236 -0.4236 -0.1805 -0.1805 2.7908 2.7908 2.9071 2.9071 2.9412 2.9412 3.2209 3.2209 3.3055 3.3055 3.3860 3.3860 3.4959 3.4959 3.6761 3.6761 3.8556 3.8556 3.9759 3.9759 4.1514 4.1514 k = 0.1905 0.5000 0.1905 ( 5644 PWs) bands (ev): -19.8633 -19.8633 -19.8168 -19.8168 -19.7307 -19.7307 -17.8819 -17.8819 -17.7993 -17.7993 -17.7965 -17.7965 -9.2120 -9.2120 -9.1980 -9.1980 -8.7107 -8.7107 -8.3300 -8.3300 -5.5763 -5.5763 -5.4974 -5.4974 -5.4134 -5.4134 -4.9427 -4.9427 -4.8329 -4.8329 -4.7817 -4.7817 -4.7494 -4.7494 -4.6736 -4.6736 -4.3881 -4.3881 -3.5158 -3.5158 -3.2195 -3.2195 -3.1098 -3.1098 -3.0009 -3.0009 -2.7781 -2.7781 -0.8210 -0.8210 -0.5578 -0.5578 -0.5533 -0.5533 -0.4455 -0.4455 -0.4278 -0.4278 -0.1801 -0.1801 2.7604 2.7604 2.8907 2.8907 2.9265 2.9265 3.2086 3.2086 3.3136 3.3136 3.3844 3.3844 3.4774 3.4774 3.6727 3.6727 3.8523 3.8523 3.9565 3.9565 4.1339 4.1339 k = 0.1786 0.5000 0.1786 ( 5636 PWs) bands (ev): -19.8677 -19.8677 -19.8190 -19.8190 -19.7287 -19.7287 -17.8816 -17.8816 -17.7949 -17.7949 -17.7921 -17.7921 -9.2344 -9.2344 -9.2188 -9.2188 -8.7112 -8.7112 -8.3264 -8.3264 -5.5748 -5.5748 -5.4928 -5.4928 -5.4027 -5.4027 -4.9437 -4.9437 -4.8144 -4.8144 -4.7437 -4.7437 -4.7193 -4.7193 -4.6732 -4.6732 -4.3506 -4.3506 -3.5526 -3.5526 -3.2313 -3.2313 -3.1179 -3.1179 -3.0244 -3.0244 -2.7907 -2.7907 -0.8068 -0.8068 -0.5473 -0.5473 -0.5402 -0.5402 -0.4420 -0.4420 -0.4272 -0.4272 -0.1804 -0.1804 2.7295 2.7295 2.8744 2.8744 2.9116 2.9116 3.1968 3.1968 3.3212 3.3212 3.3829 3.3829 3.4591 3.4591 3.6705 3.6705 3.8467 3.8467 3.9388 3.9388 4.1202 4.1202 k = 0.1667 0.5000 0.1667 ( 5640 PWs) bands (ev): -19.8719 -19.8719 -19.8211 -19.8211 -19.7267 -19.7267 -17.8813 -17.8813 -17.7906 -17.7906 -17.7880 -17.7880 -9.2557 -9.2557 -9.2386 -9.2386 -8.7117 -8.7117 -8.3229 -8.3229 -5.5736 -5.5736 -5.4884 -5.4884 -5.3926 -5.3926 -4.9448 -4.9448 -4.7974 -4.7974 -4.7074 -4.7074 -4.6893 -4.6893 -4.6716 -4.6716 -4.3138 -4.3138 -3.5880 -3.5880 -3.2426 -3.2426 -3.1259 -3.1259 -3.0486 -3.0486 -2.8022 -2.8022 -0.7927 -0.7927 -0.5380 -0.5380 -0.5273 -0.5273 -0.4420 -0.4420 -0.4224 -0.4224 -0.1816 -0.1816 2.6985 2.6985 2.8582 2.8582 2.8967 2.8967 3.1858 3.1858 3.3282 3.3282 3.3815 3.3815 3.4413 3.4413 3.6694 3.6694 3.8385 3.8385 3.9226 3.9226 4.1104 4.1104 k = 0.1548 0.5000 0.1548 ( 5636 PWs) bands (ev): -19.8759 -19.8759 -19.8231 -19.8231 -19.7248 -19.7248 -17.8810 -17.8810 -17.7866 -17.7866 -17.7840 -17.7840 -9.2760 -9.2760 -9.2573 -9.2573 -8.7121 -8.7121 -8.3196 -8.3196 -5.5724 -5.5724 -5.4842 -5.4842 -5.3829 -5.3829 -4.9459 -4.9459 -4.7810 -4.7810 -4.6795 -4.6795 -4.6677 -4.6677 -4.6551 -4.6551 -4.2782 -4.2782 -3.6214 -3.6214 -3.2535 -3.2535 -3.1339 -3.1339 -3.0735 -3.0735 -2.8126 -2.8126 -0.7791 -0.7791 -0.5298 -0.5298 -0.5150 -0.5150 -0.4417 -0.4417 -0.4168 -0.4168 -0.1837 -0.1837 2.6677 2.6677 2.8424 2.8424 2.8821 2.8821 3.1754 3.1754 3.3346 3.3346 3.3801 3.3801 3.4240 3.4240 3.6692 3.6692 3.8280 3.8280 3.9079 3.9079 4.1043 4.1043 k = 0.1429 0.5000 0.1429 ( 5628 PWs) bands (ev): -19.8797 -19.8797 -19.8251 -19.8251 -19.7230 -19.7230 -17.8807 -17.8807 -17.7827 -17.7827 -17.7803 -17.7803 -9.2950 -9.2950 -9.2749 -9.2749 -8.7125 -8.7125 -8.3164 -8.3164 -5.5712 -5.5712 -5.4801 -5.4801 -5.3737 -5.3737 -4.9468 -4.9468 -4.7646 -4.7646 -4.6756 -4.6756 -4.6369 -4.6369 -4.6266 -4.6266 -4.2445 -4.2445 -3.6521 -3.6521 -3.2639 -3.2639 -3.1419 -3.1419 -3.0988 -3.0988 -2.8218 -2.8218 -0.7661 -0.7661 -0.5228 -0.5228 -0.5032 -0.5032 -0.4398 -0.4398 -0.4117 -0.4117 -0.1869 -0.1869 2.6376 2.6376 2.8272 2.8272 2.8680 2.8680 3.1658 3.1658 3.3402 3.3402 3.3788 3.3788 3.4075 3.4075 3.6699 3.6699 3.8156 3.8156 3.8947 3.8947 4.1015 4.1015 k = 0.1310 0.5000 0.1310 ( 5628 PWs) bands (ev): -19.8833 -19.8833 -19.8269 -19.8269 -19.7213 -19.7213 -17.8805 -17.8805 -17.7790 -17.7790 -17.7767 -17.7767 -9.3127 -9.3127 -9.2913 -9.2913 -8.7129 -8.7129 -8.3133 -8.3133 -5.5702 -5.5702 -5.4763 -5.4763 -5.3651 -5.3651 -4.9478 -4.9478 -4.7481 -4.7481 -4.6748 -4.6748 -4.6058 -4.6058 -4.5989 -4.5989 -4.2134 -4.2134 -3.6794 -3.6794 -3.2739 -3.2739 -3.1504 -3.1504 -3.1238 -3.1238 -2.8301 -2.8301 -0.7540 -0.7540 -0.5166 -0.5166 -0.4920 -0.4920 -0.4361 -0.4361 -0.4073 -0.4073 -0.1912 -0.1912 2.6085 2.6085 2.8126 2.8126 2.8544 2.8544 3.1569 3.1569 3.3445 3.3445 3.3772 3.3772 3.3926 3.3926 3.6711 3.6711 3.8019 3.8019 3.8828 3.8828 4.1012 4.1012 k = 0.1190 0.5000 0.1190 ( 5634 PWs) bands (ev): -19.8866 -19.8866 -19.8286 -19.8286 -19.7197 -19.7197 -17.8802 -17.8802 -17.7756 -17.7756 -17.7735 -17.7735 -9.3291 -9.3291 -9.3064 -9.3064 -8.7132 -8.7132 -8.3105 -8.3105 -5.5693 -5.5693 -5.4728 -5.4728 -5.3572 -5.3572 -4.9488 -4.9488 -4.7314 -4.7314 -4.6743 -4.6743 -4.5767 -4.5767 -4.5730 -4.5730 -4.1858 -4.1858 -3.7023 -3.7023 -3.2834 -3.2834 -3.1619 -3.1619 -3.1458 -3.1458 -2.8374 -2.8374 -0.7431 -0.7431 -0.5110 -0.5110 -0.4815 -0.4815 -0.4306 -0.4306 -0.4035 -0.4035 -0.1967 -0.1967 2.5808 2.5808 2.7987 2.7987 2.8417 2.8417 3.1489 3.1489 3.3463 3.3463 3.3748 3.3748 3.3814 3.3814 3.6728 3.6728 3.7877 3.7877 3.8722 3.8723 4.1029 4.1029 k = 0.1071 0.5000 0.1071 ( 5610 PWs) bands (ev): -19.8897 -19.8897 -19.8301 -19.8301 -19.7182 -19.7182 -17.8800 -17.8800 -17.7725 -17.7725 -17.7705 -17.7705 -9.3441 -9.3441 -9.3203 -9.3203 -8.7136 -8.7136 -8.3078 -8.3078 -5.5685 -5.5685 -5.4695 -5.4695 -5.3498 -5.3498 -4.9496 -4.9496 -4.7145 -4.7145 -4.6736 -4.6736 -4.5508 -4.5508 -4.5481 -4.5481 -4.1628 -4.1628 -3.7196 -3.7196 -3.2925 -3.2925 -3.1826 -3.1826 -3.1583 -3.1583 -2.8438 -2.8438 -0.7335 -0.7335 -0.5057 -0.5057 -0.4717 -0.4717 -0.4237 -0.4237 -0.4002 -0.4002 -0.2033 -0.2033 2.5548 2.5548 2.7858 2.7858 2.8298 2.8298 3.1416 3.1416 3.3427 3.3427 3.3712 3.3712 3.3773 3.3773 3.6748 3.6748 3.7735 3.7735 3.8630 3.8630 4.1060 4.1060 k = 0.0952 0.5000 0.0952 ( 5614 PWs) bands (ev): -19.8925 -19.8925 -19.8315 -19.8315 -19.7169 -19.7169 -17.8798 -17.8798 -17.7696 -17.7696 -17.7677 -17.7677 -9.3577 -9.3577 -9.3328 -9.3328 -8.7139 -8.7139 -8.3054 -8.3054 -5.5678 -5.5678 -5.4666 -5.4666 -5.3432 -5.3432 -4.9504 -4.9504 -4.6979 -4.6979 -4.6729 -4.6729 -4.5292 -4.5292 -4.5239 -4.5239 -4.1451 -4.1451 -3.7307 -3.7307 -3.3015 -3.3015 -3.2072 -3.2072 -3.1659 -3.1659 -2.8493 -2.8493 -0.7253 -0.7253 -0.5005 -0.5005 -0.4627 -0.4627 -0.4160 -0.4160 -0.3970 -0.3970 -0.2110 -0.2110 2.5307 2.5307 2.7739 2.7739 2.8190 2.8190 3.1351 3.1351 3.3334 3.3334 3.3712 3.3712 3.3760 3.3760 3.6768 3.6768 3.7597 3.7597 3.8549 3.8549 4.1098 4.1098 k = 0.0833 0.5000 0.0833 ( 5622 PWs) bands (ev): -19.8949 -19.8949 -19.8328 -19.8328 -19.7157 -19.7157 -17.8796 -17.8796 -17.7671 -17.7671 -17.7653 -17.7653 -9.3698 -9.3698 -9.3439 -9.3439 -8.7141 -8.7141 -8.3032 -8.3032 -5.5672 -5.5672 -5.4639 -5.4639 -5.3374 -5.3374 -4.9512 -4.9512 -4.6830 -4.6830 -4.6708 -4.6708 -4.5107 -4.5107 -4.5018 -4.5018 -4.1333 -4.1333 -3.7349 -3.7349 -3.3107 -3.3107 -3.2315 -3.2315 -3.1721 -3.1721 -2.8540 -2.8540 -0.7186 -0.7186 -0.4952 -0.4952 -0.4546 -0.4546 -0.4086 -0.4086 -0.3929 -0.3929 -0.2199 -0.2199 2.5088 2.5088 2.7631 2.7631 2.8093 2.8093 3.1293 3.1293 3.3223 3.3223 3.3730 3.3730 3.3754 3.3754 3.6788 3.6788 3.7469 3.7469 3.8481 3.8481 4.1139 4.1139 k = 0.0714 0.5000 0.0714 ( 5622 PWs) bands (ev): -19.8971 -19.8971 -19.8339 -19.8339 -19.7146 -19.7146 -17.8795 -17.8795 -17.7648 -17.7648 -17.7632 -17.7632 -9.3804 -9.3804 -9.3535 -9.3535 -8.7144 -8.7144 -8.3013 -8.3013 -5.5666 -5.5666 -5.4616 -5.4616 -5.3323 -5.3323 -4.9518 -4.9518 -4.6758 -4.6758 -4.6613 -4.6613 -4.4951 -4.4951 -4.4823 -4.4823 -4.1271 -4.1271 -3.7325 -3.7325 -3.3208 -3.3208 -3.2538 -3.2538 -3.1775 -3.1775 -2.8580 -2.8580 -0.7133 -0.7133 -0.4901 -0.4901 -0.4473 -0.4473 -0.4034 -0.4034 -0.3860 -0.3860 -0.2299 -0.2299 2.4894 2.4894 2.7535 2.7535 2.8008 2.8008 3.1244 3.1244 3.3113 3.3113 3.3735 3.3735 3.3768 3.3768 3.6807 3.6807 3.7352 3.7352 3.8423 3.8423 4.1180 4.1180 k = 0.0595 0.5000 0.0595 ( 5622 PWs) bands (ev): -19.8990 -19.8990 -19.8349 -19.8349 -19.7137 -19.7137 -17.8794 -17.8794 -17.7629 -17.7629 -17.7614 -17.7614 -9.3893 -9.3893 -9.3618 -9.3618 -8.7145 -8.7145 -8.2996 -8.2996 -5.5662 -5.5662 -5.4596 -5.4596 -5.3280 -5.3280 -4.9524 -4.9524 -4.6744 -4.6744 -4.6470 -4.6470 -4.4824 -4.4824 -4.4655 -4.4655 -4.1255 -4.1255 -3.7247 -3.7247 -3.3327 -3.3327 -3.2725 -3.2725 -3.1821 -3.1821 -2.8613 -2.8613 -0.7092 -0.7092 -0.4853 -0.4853 -0.4409 -0.4409 -0.4009 -0.4009 -0.3759 -0.3759 -0.2410 -0.2410 2.4727 2.4727 2.7452 2.7452 2.7935 2.7935 3.1202 3.1202 3.3014 3.3014 3.3732 3.3732 3.3793 3.3793 3.6824 3.6824 3.7250 3.7250 3.8377 3.8377 4.1219 4.1219 k = 0.0476 0.5000 0.0476 ( 5626 PWs) bands (ev): -19.9005 -19.9005 -19.8356 -19.8356 -19.7129 -19.7129 -17.8792 -17.8792 -17.7613 -17.7613 -17.7599 -17.7599 -9.3967 -9.3967 -9.3685 -9.3685 -8.7147 -8.7147 -8.2983 -8.2983 -5.5658 -5.5658 -5.4580 -5.4580 -5.3244 -5.3244 -4.9528 -4.9528 -4.6739 -4.6739 -4.6334 -4.6334 -4.4725 -4.4725 -4.4517 -4.4517 -4.1271 -4.1271 -3.7133 -3.7133 -3.3468 -3.3468 -3.2863 -3.2863 -3.1859 -3.1859 -2.8639 -2.8639 -0.7061 -0.7061 -0.4810 -0.4810 -0.4355 -0.4355 -0.3998 -0.3998 -0.3639 -0.3639 -0.2530 -0.2530 2.4587 2.4587 2.7383 2.7383 2.7875 2.7875 3.1168 3.1168 3.2929 3.2929 3.3728 3.3728 3.3816 3.3816 3.6838 3.6838 3.7164 3.7164 3.8340 3.8340 4.1253 4.1253 k = 0.0357 0.5000 0.0357 ( 5638 PWs) bands (ev): -19.9017 -19.9017 -19.8362 -19.8362 -19.7124 -19.7124 -17.8792 -17.8792 -17.7600 -17.7600 -17.7587 -17.7587 -9.4025 -9.4025 -9.3738 -9.3738 -8.7148 -8.7148 -8.2972 -8.2972 -5.5656 -5.5656 -5.4567 -5.4567 -5.3217 -5.3217 -4.9532 -4.9532 -4.6736 -4.6736 -4.6216 -4.6216 -4.4654 -4.4654 -4.4408 -4.4408 -4.1302 -4.1302 -3.7006 -3.7006 -3.3619 -3.3619 -3.2955 -3.2955 -3.1890 -3.1890 -2.8659 -2.8659 -0.7040 -0.7040 -0.4774 -0.4774 -0.4312 -0.4312 -0.3993 -0.3993 -0.3507 -0.3507 -0.2658 -0.2658 2.4477 2.4477 2.7329 2.7329 2.7828 2.7828 3.1142 3.1142 3.2860 3.2860 3.3724 3.3724 3.3835 3.3835 3.6849 3.6849 3.7096 3.7096 3.8313 3.8313 4.1282 4.1282 k = 0.0238 0.5000 0.0238 ( 5646 PWs) bands (ev): -19.9026 -19.9026 -19.8367 -19.8367 -19.7119 -19.7119 -17.8791 -17.8791 -17.7592 -17.7592 -17.7579 -17.7579 -9.4067 -9.4067 -9.3776 -9.3776 -8.7149 -8.7149 -8.2964 -8.2964 -5.5654 -5.5654 -5.4557 -5.4557 -5.3197 -5.3197 -4.9535 -4.9535 -4.6734 -4.6734 -4.6124 -4.6124 -4.4607 -4.4607 -4.4330 -4.4330 -4.1335 -4.1335 -3.6889 -3.6889 -3.3754 -3.3754 -3.3011 -3.3011 -3.1912 -3.1912 -2.8673 -2.8673 -0.7026 -0.7026 -0.4748 -0.4748 -0.4280 -0.4280 -0.3993 -0.3993 -0.3368 -0.3368 -0.2794 -0.2794 2.4398 2.4398 2.7290 2.7290 2.7795 2.7795 3.1123 3.1123 3.2810 3.2810 3.3722 3.3722 3.3849 3.3849 3.6857 3.6857 3.7046 3.7046 3.8294 3.8294 4.1302 4.1302 k = 0.0119 0.5000 0.0119 ( 5622 PWs) bands (ev): -19.9031 -19.9031 -19.8370 -19.8370 -19.7117 -19.7117 -17.8790 -17.8790 -17.7586 -17.7586 -17.7573 -17.7573 -9.4091 -9.4091 -9.3799 -9.3799 -8.7150 -8.7150 -8.2959 -8.2959 -5.5652 -5.5652 -5.4552 -5.4552 -5.3184 -5.3184 -4.9536 -4.9536 -4.6732 -4.6732 -4.6064 -4.6064 -4.4581 -4.4581 -4.4282 -4.4282 -4.1359 -4.1359 -3.6807 -3.6807 -3.3847 -3.3847 -3.3041 -3.3041 -3.1925 -3.1925 -2.8681 -2.8681 -0.7018 -0.7018 -0.4731 -0.4731 -0.4260 -0.4260 -0.3993 -0.3993 -0.3224 -0.3224 -0.2934 -0.2934 2.4350 2.4350 2.7266 2.7266 2.7775 2.7775 3.1112 3.1112 3.2780 3.2780 3.3721 3.3721 3.3857 3.3857 3.6862 3.6862 3.7017 3.7017 3.8283 3.8283 4.1315 4.1315 k = 0.0000 0.5000-0.0000 ( 5622 PWs) bands (ev): -19.9032 -19.9032 -19.8370 -19.8370 -19.7116 -19.7116 -17.8790 -17.8790 -17.7584 -17.7584 -17.7572 -17.7572 -9.4100 -9.4100 -9.3807 -9.3807 -8.7150 -8.7150 -8.2958 -8.2958 -5.5651 -5.5651 -5.4550 -5.4550 -5.3180 -5.3180 -4.9536 -4.9536 -4.6732 -4.6732 -4.6044 -4.6044 -4.4573 -4.4573 -4.4267 -4.4267 -4.1367 -4.1367 -3.6777 -3.6777 -3.3881 -3.3881 -3.3050 -3.3050 -3.1930 -3.1930 -2.8684 -2.8684 -0.7015 -0.7015 -0.4726 -0.4726 -0.4253 -0.4253 -0.3993 -0.3993 -0.3091 -0.3091 -0.3066 -0.3066 2.4334 2.4334 2.7258 2.7258 2.7768 2.7768 3.1108 3.1108 3.2769 3.2769 3.3720 3.3720 3.3860 3.3860 3.6863 3.6863 3.7006 3.7006 3.8279 3.8279 4.1320 4.1320 k = 0.5000 0.5000-0.0000 ( 5656 PWs) bands (ev): -19.8312 -19.8312 -19.7783 -19.7783 -19.7768 -19.7768 -17.8891 -17.8891 -17.8778 -17.8778 -17.7580 -17.7580 -9.3591 -9.3591 -8.7361 -8.7361 -8.6992 -8.6992 -8.3856 -8.3856 -5.6190 -5.6190 -5.5267 -5.5267 -5.5078 -5.5078 -5.4889 -5.4889 -4.9617 -4.9617 -4.9126 -4.9126 -4.6690 -4.6690 -4.4248 -4.4248 -4.0045 -4.0045 -3.7847 -3.7847 -3.2028 -3.2028 -3.1710 -3.1710 -3.0388 -3.0388 -2.4899 -2.4899 -0.9410 -0.9410 -0.8110 -0.8110 -0.4933 -0.4933 -0.4251 -0.4251 -0.4161 -0.4161 -0.0831 -0.0831 2.8901 2.8901 2.9264 2.9264 3.1275 3.1275 3.2381 3.2381 3.3966 3.3966 3.4652 3.4652 3.4671 3.4671 3.4966 3.4966 3.7313 3.7313 4.2013 4.2013 4.3323 4.3323 k = 0.5000 0.5000 0.0167 ( 5656 PWs) bands (ev): -19.8310 -19.8310 -19.7783 -19.7783 -19.7768 -19.7768 -17.8891 -17.8891 -17.8778 -17.8778 -17.7584 -17.7584 -9.3576 -9.3576 -8.7360 -8.7360 -8.6992 -8.6992 -8.3855 -8.3855 -5.6191 -5.6191 -5.5269 -5.5269 -5.5081 -5.5081 -5.4891 -5.4891 -4.9615 -4.9615 -4.9126 -4.9126 -4.6690 -4.6690 -4.4281 -4.4281 -4.0221 -4.0221 -3.7664 -3.7664 -3.2023 -3.2023 -3.1702 -3.1702 -3.0386 -3.0386 -2.4898 -2.4898 -0.9411 -0.9411 -0.8110 -0.8110 -0.4927 -0.4927 -0.4261 -0.4261 -0.4171 -0.4171 -0.0835 -0.0835 2.8911 2.8911 2.9270 2.9270 3.1273 3.1273 3.2387 3.2387 3.3968 3.3968 3.4570 3.4570 3.4683 3.4683 3.5048 3.5048 3.7317 3.7317 4.2019 4.2019 4.3330 4.3330 k = 0.5000 0.5000 0.0333 ( 5640 PWs) bands (ev): -19.8306 -19.8306 -19.7783 -19.7783 -19.7768 -19.7768 -17.8891 -17.8891 -17.8779 -17.8779 -17.7594 -17.7594 -9.3531 -9.3531 -8.7357 -8.7357 -8.6992 -8.6992 -8.3855 -8.3855 -5.6190 -5.6190 -5.5274 -5.5274 -5.5090 -5.5090 -5.4895 -5.4895 -4.9611 -4.9611 -4.9126 -4.9126 -4.6689 -4.6689 -4.4379 -4.4379 -4.0638 -4.0638 -3.7225 -3.7225 -3.2005 -3.2005 -3.1678 -3.1678 -3.0382 -3.0382 -2.4895 -2.4895 -0.9415 -0.9415 -0.8111 -0.8111 -0.4908 -0.4908 -0.4290 -0.4290 -0.4201 -0.4201 -0.0849 -0.0849 2.8943 2.8943 2.9290 2.9290 3.1269 3.1269 3.2406 3.2406 3.3973 3.3973 3.4415 3.4415 3.4720 3.4720 3.5202 3.5202 3.7326 3.7326 4.2035 4.2035 4.3353 4.3353 k = 0.5000 0.5000 0.0500 ( 5648 PWs) bands (ev): -19.8298 -19.8298 -19.7782 -19.7782 -19.7767 -19.7767 -17.8891 -17.8891 -17.8781 -17.8781 -17.7612 -17.7612 -9.3457 -9.3457 -8.7353 -8.7353 -8.6992 -8.6992 -8.3854 -8.3854 -5.6191 -5.6191 -5.5283 -5.5283 -5.5104 -5.5104 -5.4904 -5.4904 -4.9605 -4.9605 -4.9128 -4.9128 -4.6690 -4.6690 -4.4541 -4.4541 -4.1155 -4.1155 -3.6672 -3.6672 -3.1977 -3.1977 -3.1639 -3.1639 -3.0374 -3.0374 -2.4891 -2.4891 -0.9420 -0.9420 -0.8112 -0.8112 -0.4879 -0.4879 -0.4339 -0.4339 -0.4251 -0.4251 -0.0870 -0.0870 2.8995 2.8995 2.9322 2.9322 3.1260 3.1260 3.2438 3.2438 3.3983 3.3983 3.4244 3.4244 3.4781 3.4781 3.5372 3.5372 3.7343 3.7343 4.2061 4.2061 4.3390 4.3390 k = 0.5000 0.5000 0.0667 ( 5648 PWs) bands (ev): -19.8287 -19.8287 -19.7780 -19.7780 -19.7766 -19.7766 -17.8891 -17.8891 -17.8783 -17.8783 -17.7636 -17.7636 -9.3354 -9.3354 -8.7346 -8.7346 -8.6992 -8.6992 -8.3854 -8.3854 -5.6191 -5.6191 -5.5295 -5.5295 -5.5124 -5.5124 -5.4915 -5.4915 -4.9597 -4.9597 -4.9130 -4.9130 -4.6690 -4.6690 -4.4765 -4.4765 -4.1708 -4.1708 -3.6069 -3.6069 -3.1938 -3.1938 -3.1587 -3.1587 -3.0364 -3.0364 -2.4885 -2.4885 -0.9429 -0.9429 -0.8113 -0.8113 -0.4839 -0.4839 -0.4405 -0.4405 -0.4320 -0.4320 -0.0901 -0.0901 2.9063 2.9063 2.9367 2.9367 3.1249 3.1249 3.2482 3.2482 3.3996 3.3996 3.4067 3.4067 3.4867 3.4867 3.5546 3.5546 3.7366 3.7366 4.2099 4.2099 4.3442 4.3442 k = 0.5000 0.5000 0.0833 ( 5636 PWs) bands (ev): -19.8273 -19.8273 -19.7779 -19.7779 -19.7764 -19.7764 -17.8890 -17.8890 -17.8785 -17.8785 -17.7666 -17.7666 -9.3223 -9.3223 -8.7338 -8.7338 -8.6992 -8.6992 -8.3853 -8.3853 -5.6191 -5.6191 -5.5310 -5.5310 -5.5148 -5.5148 -5.4931 -5.4931 -4.9586 -4.9586 -4.9131 -4.9131 -4.6690 -4.6690 -4.5046 -4.5046 -4.2270 -4.2270 -3.5444 -3.5444 -3.1888 -3.1888 -3.1523 -3.1523 -3.0351 -3.0351 -2.4877 -2.4877 -0.9439 -0.9439 -0.8114 -0.8114 -0.4794 -0.4794 -0.4483 -0.4483 -0.4408 -0.4408 -0.0939 -0.0939 2.9147 2.9147 2.9424 2.9424 3.1234 3.1234 3.2538 3.2538 3.3886 3.3886 3.4012 3.4012 3.4979 3.4979 3.5722 3.5722 3.7395 3.7395 4.2149 4.2149 4.3508 4.3508 k = 0.5000 0.5000 0.1000 ( 5644 PWs) bands (ev): -19.8257 -19.8257 -19.7776 -19.7776 -19.7763 -19.7763 -17.8890 -17.8890 -17.8788 -17.8788 -17.7703 -17.7703 -9.3065 -9.3065 -8.7328 -8.7328 -8.6992 -8.6992 -8.3851 -8.3851 -5.6192 -5.6192 -5.5329 -5.5329 -5.5177 -5.5177 -5.4952 -5.4952 -4.9574 -4.9574 -4.9134 -4.9134 -4.6690 -4.6690 -4.5382 -4.5382 -4.2829 -4.2829 -3.4807 -3.4807 -3.1828 -3.1828 -3.1449 -3.1449 -3.0336 -3.0336 -2.4868 -2.4868 -0.9452 -0.9452 -0.8116 -0.8116 -0.4766 -0.4766 -0.4553 -0.4553 -0.4512 -0.4512 -0.0985 -0.0985 2.9241 2.9241 2.9492 2.9492 3.1216 3.1216 3.2604 3.2604 3.3704 3.3704 3.4031 3.4031 3.5114 3.5114 3.5899 3.5899 3.7430 3.7430 4.2210 4.2210 4.3588 4.3588 k = 0.5000 0.5000 0.1167 ( 5652 PWs) bands (ev): -19.8238 -19.8238 -19.7774 -19.7774 -19.7761 -19.7761 -17.8890 -17.8890 -17.8791 -17.8791 -17.7746 -17.7746 -9.2880 -9.2880 -8.7316 -8.7316 -8.6993 -8.6993 -8.3850 -8.3850 -5.6193 -5.6193 -5.5350 -5.5350 -5.5209 -5.5209 -5.4977 -5.4977 -4.9560 -4.9560 -4.9137 -4.9137 -4.6691 -4.6691 -4.5766 -4.5766 -4.3378 -4.3378 -3.4168 -3.4168 -3.1757 -3.1757 -3.1366 -3.1366 -3.0318 -3.0318 -2.4858 -2.4858 -0.9466 -0.9466 -0.8119 -0.8119 -0.4811 -0.4811 -0.4640 -0.4640 -0.4548 -0.4548 -0.1038 -0.1038 2.9343 2.9343 2.9570 2.9570 3.1194 3.1194 3.2680 3.2680 3.3521 3.3521 3.4054 3.4054 3.5274 3.5274 3.6077 3.6077 3.7472 3.7472 4.2286 4.2286 4.3682 4.3682 k = 0.5000 0.5000 0.1333 ( 5644 PWs) bands (ev): -19.8217 -19.8217 -19.7771 -19.7771 -19.7759 -19.7759 -17.8889 -17.8889 -17.8795 -17.8795 -17.7793 -17.7793 -9.2670 -9.2670 -8.7303 -8.7303 -8.6993 -8.6993 -8.3848 -8.3848 -5.6194 -5.6194 -5.5374 -5.5374 -5.5245 -5.5245 -5.5006 -5.5006 -4.9544 -4.9544 -4.9140 -4.9140 -4.6692 -4.6692 -4.6194 -4.6194 -4.3913 -4.3913 -3.3533 -3.3533 -3.1674 -3.1674 -3.1276 -3.1276 -3.0297 -3.0297 -2.4846 -2.4846 -0.9483 -0.9483 -0.8121 -0.8121 -0.4927 -0.4927 -0.4777 -0.4777 -0.4485 -0.4485 -0.1097 -0.1097 2.9449 2.9449 2.9658 2.9658 3.1169 3.1169 3.2765 3.2765 3.3337 3.3337 3.4079 3.4079 3.5457 3.5457 3.6254 3.6254 3.7521 3.7521 4.2376 4.2376 4.3789 4.3789 k = 0.5000 0.5000 0.1500 ( 5644 PWs) bands (ev): -19.8193 -19.8193 -19.7769 -19.7769 -19.7756 -19.7756 -17.8889 -17.8889 -17.8799 -17.8799 -17.7846 -17.7846 -9.2436 -9.2436 -8.7289 -8.7289 -8.6993 -8.6993 -8.3846 -8.3846 -5.6195 -5.6195 -5.5401 -5.5401 -5.5284 -5.5284 -5.5040 -5.5040 -4.9527 -4.9527 -4.9144 -4.9144 -4.6721 -4.6721 -4.6633 -4.6633 -4.4431 -4.4431 -3.2906 -3.2906 -3.1579 -3.1579 -3.1182 -3.1182 -3.0274 -3.0274 -2.4833 -2.4833 -0.9502 -0.9502 -0.8124 -0.8124 -0.5073 -0.5073 -0.4930 -0.4930 -0.4394 -0.4394 -0.1161 -0.1161 2.9556 2.9556 2.9754 2.9754 3.1140 3.1140 3.2858 3.2858 3.3154 3.3154 3.4107 3.4107 3.5661 3.5661 3.6431 3.6431 3.7575 3.7575 4.2483 4.2483 4.3908 4.3908 k = 0.5000 0.5000 0.1667 ( 5660 PWs) bands (ev): -19.8167 -19.8167 -19.7765 -19.7765 -19.7754 -19.7754 -17.8888 -17.8888 -17.8804 -17.8804 -17.7902 -17.7902 -9.2180 -9.2180 -8.7273 -8.7273 -8.6993 -8.6993 -8.3844 -8.3844 -5.6196 -5.6196 -5.5429 -5.5429 -5.5325 -5.5325 -5.5080 -5.5080 -4.9510 -4.9510 -4.9149 -4.9149 -4.7174 -4.7174 -4.6684 -4.6684 -4.4929 -4.4929 -3.2302 -3.2302 -3.1462 -3.1462 -3.1083 -3.1083 -3.0250 -3.0250 -2.4819 -2.4819 -0.9523 -0.9523 -0.8127 -0.8127 -0.5237 -0.5237 -0.5096 -0.5096 -0.4290 -0.4290 -0.1231 -0.1231 2.9661 2.9661 2.9856 2.9856 3.1109 3.1109 3.2930 3.2930 3.2998 3.2998 3.4136 3.4136 3.5881 3.5881 3.6606 3.6606 3.7634 3.7634 4.2606 4.2606 4.4038 4.4038 k = 0.5000 0.5000 0.1833 ( 5652 PWs) bands (ev): -19.8140 -19.8140 -19.7762 -19.7762 -19.7751 -19.7751 -17.8888 -17.8888 -17.8808 -17.8808 -17.7963 -17.7963 -9.1904 -9.1904 -8.7257 -8.7257 -8.6994 -8.6994 -8.3842 -8.3842 -5.6198 -5.6198 -5.5459 -5.5459 -5.5368 -5.5368 -5.5124 -5.5124 -4.9491 -4.9491 -4.9154 -4.9154 -4.7705 -4.7705 -4.6685 -4.6685 -4.5403 -4.5403 -3.1766 -3.1766 -3.1282 -3.1282 -3.0978 -3.0978 -3.0224 -3.0224 -2.4804 -2.4804 -0.9546 -0.9546 -0.8131 -0.8131 -0.5414 -0.5414 -0.5273 -0.5273 -0.4176 -0.4176 -0.1303 -0.1303 2.9761 2.9761 2.9965 2.9965 3.1074 3.1074 3.2776 3.2776 3.3075 3.3075 3.4168 3.4168 3.6116 3.6116 3.6780 3.6780 3.7699 3.7699 4.2748 4.2748 4.4179 4.4179 k = 0.5000 0.5000 0.2000 ( 5644 PWs) bands (ev): -19.8111 -19.8111 -19.7758 -19.7758 -19.7748 -19.7748 -17.8887 -17.8887 -17.8813 -17.8813 -17.8026 -17.8026 -9.1610 -9.1610 -8.7239 -8.7239 -8.6994 -8.6994 -8.3840 -8.3840 -5.6199 -5.6199 -5.5490 -5.5490 -5.5413 -5.5413 -5.5172 -5.5172 -4.9472 -4.9472 -4.9159 -4.9159 -4.8260 -4.8260 -4.6687 -4.6687 -4.5853 -4.5853 -3.1441 -3.1441 -3.0954 -3.0954 -3.0818 -3.0818 -3.0196 -3.0196 -2.4788 -2.4788 -0.9570 -0.9570 -0.8135 -0.8135 -0.5602 -0.5602 -0.5460 -0.5460 -0.4055 -0.4055 -0.1379 -0.1379 2.9854 2.9854 3.0078 3.0078 3.1038 3.1038 3.2593 3.2593 3.3185 3.3185 3.4202 3.4202 3.6361 3.6361 3.6951 3.6951 3.7768 3.7768 4.2910 4.2910 4.4329 4.4329 k = 0.5000 0.5000 0.2167 ( 5644 PWs) bands (ev): -19.8081 -19.8081 -19.7755 -19.7755 -19.7745 -19.7745 -17.8887 -17.8887 -17.8818 -17.8818 -17.8091 -17.8091 -9.1300 -9.1300 -8.7221 -8.7221 -8.6994 -8.6994 -8.3838 -8.3838 -5.6201 -5.6201 -5.5522 -5.5522 -5.5459 -5.5459 -5.5226 -5.5226 -4.9453 -4.9453 -4.9167 -4.9167 -4.8830 -4.8830 -4.6696 -4.6696 -4.6270 -4.6270 -3.1274 -3.1274 -3.0803 -3.0803 -3.0333 -3.0333 -3.0166 -3.0166 -2.4771 -2.4771 -0.9596 -0.9596 -0.8139 -0.8139 -0.5796 -0.5796 -0.5655 -0.5655 -0.3928 -0.3928 -0.1457 -0.1457 2.9941 2.9941 3.0194 3.0194 3.0999 3.0999 3.2412 3.2412 3.3301 3.3301 3.4237 3.4237 3.6609 3.6609 3.7119 3.7119 3.7841 3.7841 4.3091 4.3091 4.4487 4.4487 k = 0.5000 0.5000 0.2333 ( 5652 PWs) bands (ev): -19.8050 -19.8050 -19.7751 -19.7751 -19.7742 -19.7742 -17.8886 -17.8886 -17.8824 -17.8824 -17.8158 -17.8158 -9.0976 -9.0976 -8.7202 -8.7202 -8.6994 -8.6994 -8.3836 -8.3836 -5.6203 -5.6203 -5.5555 -5.5555 -5.5506 -5.5506 -5.5284 -5.5284 -4.9456 -4.9456 -4.9409 -4.9409 -4.9159 -4.9159 -4.6782 -4.6782 -4.6584 -4.6584 -3.1142 -3.1142 -3.0700 -3.0700 -3.0137 -3.0137 -2.9779 -2.9779 -2.4754 -2.4754 -0.9623 -0.9623 -0.8143 -0.8143 -0.5997 -0.5997 -0.5857 -0.5857 -0.3798 -0.3798 -0.1536 -0.1536 3.0019 3.0019 3.0311 3.0311 3.0958 3.0958 3.2232 3.2232 3.3420 3.3420 3.4273 3.4273 3.6855 3.6855 3.7284 3.7284 3.7916 3.7916 4.3294 4.3294 4.4652 4.4652 k = 0.5000 0.5000 0.2500 ( 5644 PWs) bands (ev): -19.8019 -19.8019 -19.7747 -19.7747 -19.7739 -19.7739 -17.8886 -17.8886 -17.8829 -17.8829 -17.8226 -17.8226 -9.0643 -9.0643 -8.7183 -8.7183 -8.6995 -8.6995 -8.3833 -8.3833 -5.6205 -5.6205 -5.5588 -5.5588 -5.5554 -5.5554 -5.5345 -5.5345 -5.0022 -5.0022 -4.9414 -4.9414 -4.9169 -4.9169 -4.7095 -4.7095 -4.6641 -4.6641 -3.1018 -3.1018 -3.0604 -3.0604 -3.0106 -3.0106 -2.9229 -2.9229 -2.4736 -2.4736 -0.9650 -0.9650 -0.8148 -0.8148 -0.6200 -0.6200 -0.6062 -0.6062 -0.3664 -0.3664 -0.1615 -0.1615 3.0089 3.0089 3.0429 3.0429 3.0916 3.0916 3.2055 3.2055 3.3540 3.3540 3.4311 3.4311 3.7096 3.7096 3.7444 3.7444 3.7995 3.7995 4.3516 4.3516 4.4821 4.4821 k = 0.5000 0.5000 0.2667 ( 5660 PWs) bands (ev): -19.7988 -19.7988 -19.7744 -19.7744 -19.7736 -19.7736 -17.8885 -17.8885 -17.8834 -17.8834 -17.8294 -17.8294 -9.0302 -9.0302 -8.7164 -8.7164 -8.6995 -8.6995 -8.3831 -8.3831 -5.6208 -5.6208 -5.5622 -5.5622 -5.5602 -5.5602 -5.5409 -5.5409 -5.0617 -5.0617 -4.9399 -4.9399 -4.9175 -4.9175 -4.7434 -4.7434 -4.6646 -4.6646 -3.0898 -3.0898 -3.0511 -3.0511 -3.0075 -3.0075 -2.8696 -2.8696 -2.4719 -2.4719 -0.9679 -0.9679 -0.8152 -0.8152 -0.6405 -0.6405 -0.6270 -0.6270 -0.3530 -0.3530 -0.1694 -0.1694 3.0151 3.0151 3.0545 3.0545 3.0874 3.0874 3.1883 3.1883 3.3659 3.3659 3.4348 3.4348 3.7327 3.7327 3.7598 3.7598 3.8073 3.8073 4.3756 4.3756 4.4993 4.4993 k = 0.5000 0.5000 0.2833 ( 5668 PWs) bands (ev): -19.7956 -19.7956 -19.7740 -19.7740 -19.7733 -19.7733 -17.8885 -17.8885 -17.8840 -17.8840 -17.8362 -17.8362 -8.9957 -8.9957 -8.7145 -8.7145 -8.6995 -8.6995 -8.3829 -8.3829 -5.6210 -5.6210 -5.5657 -5.5657 -5.5650 -5.5650 -5.5474 -5.5474 -5.1208 -5.1208 -4.9385 -4.9385 -4.9181 -4.9181 -4.7750 -4.7750 -4.6645 -4.6645 -3.0779 -3.0779 -3.0423 -3.0423 -3.0043 -3.0043 -2.8183 -2.8183 -2.4701 -2.4701 -0.9707 -0.9707 -0.8157 -0.8157 -0.6608 -0.6608 -0.6478 -0.6478 -0.3396 -0.3396 -0.1771 -0.1771 3.0206 3.0206 3.0658 3.0658 3.0833 3.0833 3.1715 3.1715 3.3778 3.3778 3.4385 3.4385 3.7543 3.7543 3.7747 3.7747 3.8152 3.8152 4.4013 4.4013 4.5167 4.5167 k = 0.5000 0.5000 0.3000 ( 5684 PWs) bands (ev): -19.7926 -19.7926 -19.7736 -19.7736 -19.7730 -19.7730 -17.8884 -17.8884 -17.8845 -17.8845 -17.8427 -17.8427 -8.9613 -8.9613 -8.7127 -8.7127 -8.6995 -8.6995 -8.3826 -8.3826 -5.6213 -5.6213 -5.5706 -5.5706 -5.5684 -5.5684 -5.5537 -5.5537 -5.1790 -5.1790 -4.9374 -4.9374 -4.9186 -4.9186 -4.8039 -4.8039 -4.6641 -4.6641 -3.0662 -3.0662 -3.0340 -3.0340 -3.0012 -3.0012 -2.7693 -2.7693 -2.4684 -2.4684 -0.9736 -0.9736 -0.8162 -0.8162 -0.6808 -0.6808 -0.6683 -0.6683 -0.3264 -0.3264 -0.1846 -0.1846 3.0253 3.0253 3.0754 3.0754 3.0805 3.0805 3.1555 3.1555 3.3894 3.3894 3.4422 3.4422 3.7742 3.7742 3.7888 3.7888 3.8231 3.8231 4.4282 4.4282 4.5339 4.5339 k = 0.5000 0.5000 0.3167 ( 5676 PWs) bands (ev): -19.7896 -19.7896 -19.7733 -19.7733 -19.7727 -19.7727 -17.8883 -17.8883 -17.8850 -17.8850 -17.8491 -17.8491 -8.9271 -8.9271 -8.7109 -8.7109 -8.6996 -8.6996 -8.3824 -8.3824 -5.6216 -5.6216 -5.5759 -5.5759 -5.5715 -5.5715 -5.5598 -5.5598 -5.2355 -5.2355 -4.9367 -4.9367 -4.9190 -4.9190 -4.8298 -4.8298 -4.6635 -4.6635 -3.0550 -3.0550 -3.0262 -3.0262 -2.9981 -2.9981 -2.7231 -2.7231 -2.4667 -2.4667 -0.9764 -0.9764 -0.8166 -0.8166 -0.7002 -0.7002 -0.6885 -0.6885 -0.3136 -0.3136 -0.1917 -0.1917 3.0294 3.0294 3.0742 3.0742 3.0881 3.0881 3.1402 3.1402 3.4006 3.4006 3.4458 3.4458 3.7924 3.7924 3.8022 3.8022 3.8307 3.8307 4.4559 4.4559 4.5508 4.5508 k = 0.5000 0.5000 0.3333 ( 5668 PWs) bands (ev): -19.7867 -19.7867 -19.7730 -19.7730 -19.7724 -19.7724 -17.8883 -17.8883 -17.8855 -17.8855 -17.8552 -17.8552 -8.8938 -8.8938 -8.7092 -8.7092 -8.6996 -8.6996 -8.3822 -8.3822 -5.6218 -5.6218 -5.5816 -5.5816 -5.5744 -5.5744 -5.5653 -5.5653 -5.2899 -5.2899 -4.9367 -4.9367 -4.9192 -4.9192 -4.8526 -4.8526 -4.6629 -4.6629 -3.0441 -3.0441 -3.0191 -3.0191 -2.9950 -2.9950 -2.6797 -2.6797 -2.4650 -2.4650 -0.9791 -0.9791 -0.8171 -0.8171 -0.7189 -0.7189 -0.7079 -0.7079 -0.3013 -0.3013 -0.1985 -0.1985 3.0328 3.0328 3.0705 3.0705 3.0978 3.0978 3.1259 3.1259 3.4113 3.4113 3.4493 3.4493 3.8086 3.8086 3.8148 3.8148 3.8381 3.8381 4.4838 4.4838 4.5671 4.5671 k = 0.5000 0.5000 0.3500 ( 5668 PWs) bands (ev): -19.7840 -19.7840 -19.7727 -19.7727 -19.7721 -19.7721 -17.8882 -17.8882 -17.8859 -17.8859 -17.8610 -17.8610 -8.8617 -8.8617 -8.7075 -8.7075 -8.6996 -8.6996 -8.3820 -8.3820 -5.6221 -5.6221 -5.5875 -5.5875 -5.5771 -5.5771 -5.5702 -5.5702 -5.3415 -5.3415 -4.9377 -4.9377 -4.9193 -4.9193 -4.8720 -4.8720 -4.6623 -4.6623 -3.0339 -3.0339 -3.0125 -3.0125 -2.9920 -2.9920 -2.6395 -2.6395 -2.4635 -2.4635 -0.9817 -0.9817 -0.8175 -0.8175 -0.7365 -0.7365 -0.7265 -0.7265 -0.2896 -0.2896 -0.2048 -0.2048 3.0356 3.0356 3.0669 3.0669 3.1061 3.1061 3.1133 3.1133 3.4214 3.4214 3.4527 3.4527 3.8229 3.8229 3.8264 3.8264 3.8451 3.8451 4.5114 4.5114 4.5827 4.5827 k = 0.5000 0.5000 0.3667 ( 5668 PWs) bands (ev): -19.7815 -19.7815 -19.7724 -19.7724 -19.7719 -19.7719 -17.8882 -17.8882 -17.8863 -17.8863 -17.8663 -17.8663 -8.8313 -8.8313 -8.7060 -8.7060 -8.6996 -8.6996 -8.3818 -8.3818 -5.6224 -5.6224 -5.5936 -5.5936 -5.5796 -5.5796 -5.5744 -5.5744 -5.3897 -5.3897 -4.9402 -4.9402 -4.9193 -4.9193 -4.8877 -4.8877 -4.6617 -4.6617 -3.0244 -3.0244 -3.0067 -3.0067 -2.9889 -2.9889 -2.6028 -2.6028 -2.4620 -2.4620 -0.9842 -0.9842 -0.8180 -0.8180 -0.7529 -0.7529 -0.7439 -0.7439 -0.2788 -0.2788 -0.2107 -0.2107 3.0379 3.0379 3.0636 3.0636 3.0994 3.0994 3.1161 3.1161 3.4307 3.4307 3.4558 3.4558 3.8352 3.8352 3.8371 3.8371 3.8517 3.8517 4.5379 4.5379 4.5973 4.5973 k = 0.5000 0.5000 0.3833 ( 5652 PWs) bands (ev): -19.7792 -19.7792 -19.7721 -19.7721 -19.7716 -19.7716 -17.8882 -17.8882 -17.8867 -17.8867 -17.8711 -17.8711 -8.8030 -8.8030 -8.7046 -8.7046 -8.6997 -8.6997 -8.3817 -8.3817 -5.6225 -5.6225 -5.5995 -5.5995 -5.5818 -5.5818 -5.5780 -5.5780 -5.4339 -5.4339 -4.9446 -4.9446 -4.9190 -4.9190 -4.8991 -4.8991 -4.6610 -4.6610 -3.0158 -3.0158 -3.0016 -3.0016 -2.9859 -2.9859 -2.5696 -2.5696 -2.4607 -2.4607 -0.9865 -0.9865 -0.8184 -0.8184 -0.7680 -0.7680 -0.7600 -0.7600 -0.2688 -0.2688 -0.2159 -0.2159 3.0395 3.0395 3.0606 3.0606 3.0885 3.0885 3.1236 3.1236 3.4393 3.4393 3.4587 3.4587 3.8457 3.8457 3.8468 3.8468 3.8577 3.8577 4.5628 4.5628 4.6108 4.6109 k = 0.5000 0.5000 0.4000 ( 5660 PWs) bands (ev): -19.7771 -19.7771 -19.7719 -19.7719 -19.7714 -19.7714 -17.8881 -17.8881 -17.8870 -17.8870 -17.8755 -17.8755 -8.7773 -8.7773 -8.7034 -8.7034 -8.6997 -8.6997 -8.3815 -8.3815 -5.6228 -5.6228 -5.6052 -5.6052 -5.5838 -5.5838 -5.5811 -5.5811 -5.4736 -5.4736 -4.9508 -4.9508 -4.9187 -4.9187 -4.9067 -4.9067 -4.6605 -4.6605 -3.0082 -3.0082 -2.9974 -2.9974 -2.9830 -2.9830 -2.5403 -2.5403 -2.4595 -2.4595 -0.9885 -0.9885 -0.8188 -0.8188 -0.7814 -0.7814 -0.7744 -0.7744 -0.2600 -0.2600 -0.2206 -0.2206 3.0406 3.0406 3.0581 3.0581 3.0789 3.0789 3.1302 3.1302 3.4469 3.4469 3.4613 3.4613 3.8544 3.8544 3.8555 3.8555 3.8630 3.8630 4.5854 4.5854 4.6230 4.6231 k = 0.5000 0.5000 0.4167 ( 5652 PWs) bands (ev): -19.7753 -19.7753 -19.7717 -19.7717 -19.7712 -19.7712 -17.8881 -17.8881 -17.8873 -17.8873 -17.8792 -17.8792 -8.7546 -8.7546 -8.7023 -8.7023 -8.6997 -8.6997 -8.3814 -8.3814 -5.6231 -5.6231 -5.6103 -5.6103 -5.5856 -5.5856 -5.5836 -5.5836 -5.5082 -5.5082 -4.9578 -4.9578 -4.9182 -4.9182 -4.9112 -4.9112 -4.6599 -4.6599 -3.0016 -3.0016 -2.9939 -2.9939 -2.9801 -2.9801 -2.5150 -2.5150 -2.4585 -2.4585 -0.9903 -0.9903 -0.8193 -0.8193 -0.7931 -0.7931 -0.7870 -0.7870 -0.2522 -0.2522 -0.2246 -0.2246 3.0410 3.0410 3.0562 3.0562 3.0707 3.0707 3.1360 3.1360 3.4535 3.4535 3.4636 3.4636 3.8616 3.8616 3.8628 3.8628 3.8677 3.8677 4.6050 4.6050 4.6339 4.6340 k = 0.5000 0.5000 0.4333 ( 5644 PWs) bands (ev): -19.7739 -19.7739 -19.7715 -19.7715 -19.7711 -19.7711 -17.8881 -17.8881 -17.8876 -17.8876 -17.8823 -17.8823 -8.7354 -8.7354 -8.7014 -8.7014 -8.6997 -8.6997 -8.3813 -8.3813 -5.6232 -5.6232 -5.6148 -5.6148 -5.5871 -5.5871 -5.5856 -5.5856 -5.5371 -5.5371 -4.9645 -4.9645 -4.9178 -4.9178 -4.9138 -4.9138 -4.6595 -4.6595 -2.9963 -2.9963 -2.9913 -2.9913 -2.9774 -2.9774 -2.4941 -2.4941 -2.4576 -2.4576 -0.9918 -0.9918 -0.8199 -0.8199 -0.8027 -0.8027 -0.7975 -0.7975 -0.2458 -0.2458 -0.2279 -0.2279 3.0407 3.0407 3.0549 3.0549 3.0642 3.0642 3.1408 3.1408 3.4590 3.4590 3.4655 3.4655 3.8675 3.8675 3.8688 3.8688 3.8717 3.8717 4.6209 4.6209 4.6434 4.6434 k = 0.5000 0.5000 0.4500 ( 5652 PWs) bands (ev): -19.7727 -19.7727 -19.7714 -19.7714 -19.7710 -19.7710 -17.8880 -17.8880 -17.8878 -17.8878 -17.8848 -17.8848 -8.7201 -8.7201 -8.7007 -8.7007 -8.6996 -8.6996 -8.3812 -8.3812 -5.6235 -5.6235 -5.6186 -5.6186 -5.5883 -5.5883 -5.5871 -5.5871 -5.5600 -5.5600 -4.9702 -4.9702 -4.9175 -4.9175 -4.9155 -4.9155 -4.6591 -4.6591 -2.9921 -2.9921 -2.9893 -2.9893 -2.9750 -2.9750 -2.4776 -2.4776 -2.4569 -2.4569 -0.9930 -0.9930 -0.8208 -0.8208 -0.8100 -0.8100 -0.8058 -0.8058 -0.2407 -0.2407 -0.2306 -0.2306 3.0400 3.0400 3.0541 3.0541 3.0593 3.0593 3.1445 3.1445 3.4633 3.4633 3.4670 3.4670 3.8720 3.8720 3.8734 3.8734 3.8748 3.8748 4.6323 4.6323 4.6518 4.6518 k = 0.5000 0.5000 0.4667 ( 5616 PWs) bands (ev): -19.7720 -19.7720 -19.7712 -19.7712 -19.7709 -19.7709 -17.8880 -17.8880 -17.8879 -17.8879 -17.8866 -17.8866 -8.7089 -8.7089 -8.7003 -8.7003 -8.6996 -8.6996 -8.3811 -8.3811 -5.6237 -5.6237 -5.6213 -5.6213 -5.5893 -5.5893 -5.5881 -5.5881 -5.5764 -5.5764 -4.9744 -4.9744 -4.9171 -4.9171 -4.9162 -4.9162 -4.6587 -4.6587 -2.9892 -2.9892 -2.9879 -2.9879 -2.9731 -2.9731 -2.4656 -2.4656 -2.4564 -2.4564 -0.9939 -0.9939 -0.8225 -0.8225 -0.8143 -0.8143 -0.8118 -0.8118 -0.2369 -0.2369 -0.2324 -0.2324 3.0390 3.0390 3.0537 3.0537 3.0560 3.0560 3.1472 3.1472 3.4665 3.4665 3.4681 3.4681 3.8752 3.8752 3.8766 3.8766 3.8772 3.8772 4.6395 4.6395 4.6589 4.6589 k = 0.5000 0.5000 0.4833 ( 5616 PWs) bands (ev): -19.7716 -19.7716 -19.7709 -19.7709 -19.7708 -19.7708 -17.8880 -17.8880 -17.8880 -17.8880 -17.8877 -17.8877 -8.7021 -8.7021 -8.7000 -8.7000 -8.6995 -8.6995 -8.3811 -8.3811 -5.6238 -5.6238 -5.6232 -5.6232 -5.5900 -5.5900 -5.5887 -5.5887 -5.5861 -5.5861 -4.9770 -4.9770 -4.9169 -4.9169 -4.9167 -4.9167 -4.6586 -4.6586 -2.9875 -2.9875 -2.9871 -2.9871 -2.9720 -2.9720 -2.4584 -2.4584 -2.4561 -2.4561 -0.9944 -0.9944 -0.8243 -0.8243 -0.8161 -0.8161 -0.8154 -0.8154 -0.2347 -0.2347 -0.2336 -0.2336 3.0382 3.0382 3.0535 3.0535 3.0541 3.0541 3.1489 3.1489 3.4684 3.4684 3.4688 3.4688 3.8771 3.8771 3.8786 3.8786 3.8787 3.8787 4.6432 4.6432 4.6635 4.6635 k = 0.5000 0.5000 0.5000 ( 5616 PWs) bands (ev): -19.7716 -19.7716 -19.7708 -19.7708 -19.7708 -19.7708 -17.8880 -17.8880 -17.8880 -17.8880 -17.8880 -17.8880 -8.7003 -8.7003 -8.6994 -8.6994 -8.6994 -8.6994 -8.3811 -8.3811 -5.6239 -5.6239 -5.6239 -5.6239 -5.5906 -5.5906 -5.5889 -5.5889 -5.5889 -5.5889 -4.9779 -4.9779 -4.9169 -4.9169 -4.9169 -4.9169 -4.6585 -4.6585 -2.9869 -2.9869 -2.9869 -2.9869 -2.9715 -2.9715 -2.4560 -2.4560 -2.4560 -2.4560 -0.9946 -0.9946 -0.8251 -0.8251 -0.8166 -0.8166 -0.8166 -0.8166 -0.2340 -0.2340 -0.2340 -0.2340 3.0379 3.0379 3.0535 3.0535 3.0535 3.0535 3.1494 3.1494 3.4690 3.4690 3.4690 3.4690 3.8776 3.8776 3.8792 3.8792 3.8792 3.8792 4.6443 4.6443 4.6652 4.6652 Writing output data file CdxN2O3x2.save init_run : 0.68s CPU 2.69s WALL ( 1 calls) electrons : 307.88s CPU 312.07s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 1.83s WALL ( 1 calls) potinit : 0.05s CPU 0.10s WALL ( 1 calls) Called by electrons: c_bands : 307.87s CPU 312.05s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.01s WALL ( 1 calls) newd : 0.10s CPU 0.19s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.08s WALL ( 231 calls) cegterg : 291.46s CPU 294.49s WALL ( 476 calls) Called by sum_band: Called by *egterg: h_psi : 148.34s CPU 150.10s WALL ( 8375 calls) s_psi : 7.87s CPU 7.81s WALL ( 8375 calls) g_psi : 0.43s CPU 0.44s WALL ( 7668 calls) cdiaghg : 108.87s CPU 110.16s WALL ( 7899 calls) cegterg:over : 14.73s CPU 14.87s WALL ( 7668 calls) cegterg:upda : 13.24s CPU 13.40s WALL ( 7668 calls) cegterg:last : 6.87s CPU 6.94s WALL ( 1165 calls) cdiaghg:chol : 6.46s CPU 6.50s WALL ( 7899 calls) cdiaghg:inve : 4.78s CPU 4.73s WALL ( 7899 calls) cdiaghg:para : 7.87s CPU 8.19s WALL ( 15798 calls) Called by h_psi: h_psi:vloc : 128.87s CPU 130.12s WALL ( 8375 calls) h_psi:vnl : 18.98s CPU 19.46s WALL ( 8375 calls) add_vuspsi : 8.93s CPU 9.15s WALL ( 8375 calls) General routines calbec : 10.02s CPU 10.29s WALL ( 8375 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 114.28s CPU 115.13s WALL ( 1089364 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.23s CPU 0.29s WALL ( 462 calls) Parallel routines fft_scatter : 38.62s CPU 39.35s WALL ( 1089387 calls) PWSCF : 5m28.67s CPU 5m51.34s WALL This run was terminated on: 16:59:59 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=