Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:46:58 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: ./KCdxNO2x3.save/ file Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4D 4D renormalized file K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 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 143 42 12 7725 1218 192 Max 144 43 13 7729 1242 195 Sum 5153 1513 437 278177 44299 6979 bravais-lattice index = 14 lattice parameter (alat) = 10.0628 a.u. unit-cell volume = 1018.9558 (a.u.)^3 number of atoms/cell = 11 number of atomic types = 4 number of electrons = 72.00 number of Kohn-Sham states= 86 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)= 10.062791 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 K read from file: /users/gautes/Pseudo/K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3dd1b7807415f540a701f2a402ca1bb0 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1165 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. # 4 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) K 9.00 39.09830 K( 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= 232 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043103 k( 2) = ( 0.0000000 0.0166667 -0.0000000), wk = 0.0043103 k( 3) = ( 0.0000000 0.0333333 -0.0000000), wk = 0.0043103 k( 4) = ( 0.0000000 0.0500000 -0.0000000), wk = 0.0043103 k( 5) = ( 0.0000000 0.0666667 -0.0000000), wk = 0.0043103 k( 6) = ( 0.0000000 0.0833333 -0.0000000), wk = 0.0043103 k( 7) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0043103 k( 8) = ( 0.0000000 0.1166667 -0.0000000), wk = 0.0043103 k( 9) = ( 0.0000000 0.1333333 -0.0000000), wk = 0.0043103 k( 10) = ( 0.0000000 0.1500000 -0.0000000), wk = 0.0043103 k( 11) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0043103 k( 12) = ( 0.0000000 0.1833333 -0.0000000), wk = 0.0043103 k( 13) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0043103 k( 14) = ( 0.0000000 0.2166667 -0.0000000), wk = 0.0043103 k( 15) = ( 0.0000000 0.2333333 -0.0000000), wk = 0.0043103 k( 16) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0043103 k( 17) = ( 0.0000000 0.2666667 -0.0000000), wk = 0.0043103 k( 18) = ( 0.0000000 0.2833333 -0.0000000), wk = 0.0043103 k( 19) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0043103 k( 20) = ( 0.0000000 0.3166667 -0.0000000), wk = 0.0043103 k( 21) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0043103 k( 22) = ( 0.0000000 0.3500000 -0.0000000), wk = 0.0043103 k( 23) = ( 0.0000000 0.3666667 -0.0000000), wk = 0.0043103 k( 24) = ( 0.0000000 0.3833333 -0.0000000), wk = 0.0043103 k( 25) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0043103 k( 26) = ( 0.0000000 0.4166667 -0.0000000), wk = 0.0043103 k( 27) = ( 0.0000000 0.4333333 -0.0000000), wk = 0.0043103 k( 28) = ( 0.0000000 0.4500000 -0.0000000), wk = 0.0043103 k( 29) = ( 0.0000000 0.4666667 -0.0000000), wk = 0.0043103 k( 30) = ( 0.0000000 0.4833333 -0.0000000), wk = 0.0043103 k( 31) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0043103 k( 32) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0043103 k( 33) = ( 0.0166667 0.5000000 -0.0000000), wk = 0.0043103 k( 34) = ( 0.0333333 0.5000000 -0.0000000), wk = 0.0043103 k( 35) = ( 0.0500000 0.5000000 -0.0000000), wk = 0.0043103 k( 36) = ( 0.0666667 0.5000000 -0.0000000), wk = 0.0043103 k( 37) = ( 0.0833333 0.5000000 -0.0000000), wk = 0.0043103 k( 38) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0043103 k( 39) = ( 0.1166667 0.5000000 -0.0000000), wk = 0.0043103 k( 40) = ( 0.1333333 0.5000000 -0.0000000), wk = 0.0043103 k( 41) = ( 0.1500000 0.5000000 -0.0000000), wk = 0.0043103 k( 42) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0043103 k( 43) = ( 0.1833333 0.5000000 -0.0000000), wk = 0.0043103 k( 44) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0043103 k( 45) = ( 0.2166667 0.5000000 -0.0000000), wk = 0.0043103 k( 46) = ( 0.2333333 0.5000000 -0.0000000), wk = 0.0043103 k( 47) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0043103 k( 48) = ( 0.2666667 0.5000000 -0.0000000), wk = 0.0043103 k( 49) = ( 0.2833333 0.5000000 -0.0000000), wk = 0.0043103 k( 50) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0043103 k( 51) = ( 0.3166667 0.5000000 -0.0000000), wk = 0.0043103 k( 52) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0043103 k( 53) = ( 0.3500000 0.5000000 -0.0000000), wk = 0.0043103 k( 54) = ( 0.3666667 0.5000000 -0.0000000), wk = 0.0043103 k( 55) = ( 0.3833333 0.5000000 -0.0000000), wk = 0.0043103 k( 56) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0043103 k( 57) = ( 0.4166667 0.5000000 -0.0000000), wk = 0.0043103 k( 58) = ( 0.4333333 0.5000000 -0.0000000), wk = 0.0043103 k( 59) = ( 0.4500000 0.5000000 -0.0000000), wk = 0.0043103 k( 60) = ( 0.4666667 0.5000000 -0.0000000), wk = 0.0043103 k( 61) = ( 0.4833333 0.5000000 -0.0000000), wk = 0.0043103 k( 62) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0043103 k( 63) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0043103 k( 64) = ( 0.4880952 0.4880952 -0.0000000), wk = 0.0043103 k( 65) = ( 0.4761905 0.4761905 -0.0000000), wk = 0.0043103 k( 66) = ( 0.4642857 0.4642857 -0.0000000), wk = 0.0043103 k( 67) = ( 0.4523810 0.4523809 -0.0000000), wk = 0.0043103 k( 68) = ( 0.4404762 0.4404762 -0.0000000), wk = 0.0043103 k( 69) = ( 0.4285714 0.4285714 -0.0000000), wk = 0.0043103 k( 70) = ( 0.4166667 0.4166667 -0.0000000), wk = 0.0043103 k( 71) = ( 0.4047619 0.4047619 -0.0000000), wk = 0.0043103 k( 72) = ( 0.3928571 0.3928571 -0.0000000), wk = 0.0043103 k( 73) = ( 0.3809524 0.3809524 -0.0000000), wk = 0.0043103 k( 74) = ( 0.3690476 0.3690476 -0.0000000), wk = 0.0043103 k( 75) = ( 0.3571429 0.3571429 -0.0000000), wk = 0.0043103 k( 76) = ( 0.3452381 0.3452381 -0.0000000), wk = 0.0043103 k( 77) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0043103 k( 78) = ( 0.3214286 0.3214286 -0.0000000), wk = 0.0043103 k( 79) = ( 0.3095238 0.3095238 -0.0000000), wk = 0.0043103 k( 80) = ( 0.2976190 0.2976190 -0.0000000), wk = 0.0043103 k( 81) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0043103 k( 82) = ( 0.2738095 0.2738095 -0.0000000), wk = 0.0043103 k( 83) = ( 0.2619048 0.2619048 -0.0000000), wk = 0.0043103 k( 84) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0043103 k( 85) = ( 0.2380952 0.2380952 -0.0000000), wk = 0.0043103 k( 86) = ( 0.2261905 0.2261905 -0.0000000), wk = 0.0043103 k( 87) = ( 0.2142857 0.2142857 -0.0000000), wk = 0.0043103 k( 88) = ( 0.2023810 0.2023809 -0.0000000), wk = 0.0043103 k( 89) = ( 0.1904762 0.1904762 -0.0000000), wk = 0.0043103 k( 90) = ( 0.1785714 0.1785714 -0.0000000), wk = 0.0043103 k( 91) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0043103 k( 92) = ( 0.1547619 0.1547619 -0.0000000), wk = 0.0043103 k( 93) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0043103 k( 94) = ( 0.1309524 0.1309524 -0.0000000), wk = 0.0043103 k( 95) = ( 0.1190476 0.1190476 -0.0000000), wk = 0.0043103 k( 96) = ( 0.1071429 0.1071429 -0.0000000), wk = 0.0043103 k( 97) = ( 0.0952381 0.0952381 -0.0000000), wk = 0.0043103 k( 98) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0043103 k( 99) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0043103 k( 100) = ( 0.0595238 0.0595238 -0.0000000), wk = 0.0043103 k( 101) = ( 0.0476191 0.0476190 -0.0000000), wk = 0.0043103 k( 102) = ( 0.0357143 0.0357143 -0.0000000), wk = 0.0043103 k( 103) = ( 0.0238095 0.0238095 -0.0000000), wk = 0.0043103 k( 104) = ( 0.0119048 0.0119048 -0.0000000), wk = 0.0043103 k( 105) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043103 k( 106) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043103 k( 107) = ( 0.0096154 0.0096154 0.0096154), wk = 0.0043103 k( 108) = ( 0.0192308 0.0192308 0.0192308), wk = 0.0043103 k( 109) = ( 0.0288462 0.0288461 0.0288461), wk = 0.0043103 k( 110) = ( 0.0384615 0.0384615 0.0384615), wk = 0.0043103 k( 111) = ( 0.0480769 0.0480769 0.0480769), wk = 0.0043103 k( 112) = ( 0.0576923 0.0576923 0.0576923), wk = 0.0043103 k( 113) = ( 0.0673077 0.0673077 0.0673077), wk = 0.0043103 k( 114) = ( 0.0769231 0.0769231 0.0769231), wk = 0.0043103 k( 115) = ( 0.0865385 0.0865385 0.0865385), wk = 0.0043103 k( 116) = ( 0.0961538 0.0961538 0.0961538), wk = 0.0043103 k( 117) = ( 0.1057692 0.1057692 0.1057692), wk = 0.0043103 k( 118) = ( 0.1153846 0.1153846 0.1153846), wk = 0.0043103 k( 119) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0043103 k( 120) = ( 0.1346154 0.1346154 0.1346154), wk = 0.0043103 k( 121) = ( 0.1442308 0.1442308 0.1442308), wk = 0.0043103 k( 122) = ( 0.1538461 0.1538461 0.1538461), wk = 0.0043103 k( 123) = ( 0.1634615 0.1634615 0.1634615), wk = 0.0043103 k( 124) = ( 0.1730769 0.1730769 0.1730769), wk = 0.0043103 k( 125) = ( 0.1826923 0.1826923 0.1826923), wk = 0.0043103 k( 126) = ( 0.1923077 0.1923077 0.1923077), wk = 0.0043103 k( 127) = ( 0.2019231 0.2019231 0.2019231), wk = 0.0043103 k( 128) = ( 0.2115385 0.2115385 0.2115385), wk = 0.0043103 k( 129) = ( 0.2211539 0.2211538 0.2211538), wk = 0.0043103 k( 130) = ( 0.2307692 0.2307692 0.2307692), wk = 0.0043103 k( 131) = ( 0.2403846 0.2403846 0.2403846), wk = 0.0043103 k( 132) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0043103 k( 133) = ( 0.2596154 0.2596154 0.2596154), wk = 0.0043103 k( 134) = ( 0.2692308 0.2692308 0.2692308), wk = 0.0043103 k( 135) = ( 0.2788462 0.2788461 0.2788461), wk = 0.0043103 k( 136) = ( 0.2884615 0.2884615 0.2884615), wk = 0.0043103 k( 137) = ( 0.2980769 0.2980769 0.2980769), wk = 0.0043103 k( 138) = ( 0.3076923 0.3076923 0.3076923), wk = 0.0043103 k( 139) = ( 0.3173077 0.3173077 0.3173077), wk = 0.0043103 k( 140) = ( 0.3269231 0.3269231 0.3269231), wk = 0.0043103 k( 141) = ( 0.3365385 0.3365385 0.3365385), wk = 0.0043103 k( 142) = ( 0.3461538 0.3461538 0.3461538), wk = 0.0043103 k( 143) = ( 0.3557692 0.3557692 0.3557692), wk = 0.0043103 k( 144) = ( 0.3653846 0.3653846 0.3653846), wk = 0.0043103 k( 145) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0043103 k( 146) = ( 0.3846154 0.3846154 0.3846154), wk = 0.0043103 k( 147) = ( 0.3942308 0.3942308 0.3942308), wk = 0.0043103 k( 148) = ( 0.4038462 0.4038461 0.4038461), wk = 0.0043103 k( 149) = ( 0.4134615 0.4134615 0.4134615), wk = 0.0043103 k( 150) = ( 0.4230769 0.4230769 0.4230769), wk = 0.0043103 k( 151) = ( 0.4326923 0.4326923 0.4326923), wk = 0.0043103 k( 152) = ( 0.4423077 0.4423077 0.4423077), wk = 0.0043103 k( 153) = ( 0.4519231 0.4519231 0.4519231), wk = 0.0043103 k( 154) = ( 0.4615385 0.4615385 0.4615385), wk = 0.0043103 k( 155) = ( 0.4711538 0.4711538 0.4711538), wk = 0.0043103 k( 156) = ( 0.4807692 0.4807692 0.4807692), wk = 0.0043103 k( 157) = ( 0.4903846 0.4903846 0.4903846), wk = 0.0043103 k( 158) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0043103 k( 159) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0043103 k( 160) = ( 0.4880952 0.5000000 0.4880952), wk = 0.0043103 k( 161) = ( 0.4761905 0.5000000 0.4761905), wk = 0.0043103 k( 162) = ( 0.4642857 0.5000000 0.4642857), wk = 0.0043103 k( 163) = ( 0.4523810 0.5000000 0.4523809), wk = 0.0043103 k( 164) = ( 0.4404762 0.5000000 0.4404762), wk = 0.0043103 k( 165) = ( 0.4285714 0.5000000 0.4285714), wk = 0.0043103 k( 166) = ( 0.4166667 0.5000000 0.4166667), wk = 0.0043103 k( 167) = ( 0.4047619 0.5000000 0.4047619), wk = 0.0043103 k( 168) = ( 0.3928571 0.5000000 0.3928571), wk = 0.0043103 k( 169) = ( 0.3809524 0.5000000 0.3809524), wk = 0.0043103 k( 170) = ( 0.3690476 0.5000000 0.3690476), wk = 0.0043103 k( 171) = ( 0.3571429 0.5000000 0.3571429), wk = 0.0043103 k( 172) = ( 0.3452381 0.5000000 0.3452381), wk = 0.0043103 k( 173) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0043103 k( 174) = ( 0.3214286 0.5000000 0.3214286), wk = 0.0043103 k( 175) = ( 0.3095238 0.5000000 0.3095238), wk = 0.0043103 k( 176) = ( 0.2976190 0.5000000 0.2976190), wk = 0.0043103 k( 177) = ( 0.2857143 0.5000000 0.2857143), wk = 0.0043103 k( 178) = ( 0.2738095 0.5000000 0.2738095), wk = 0.0043103 k( 179) = ( 0.2619048 0.5000000 0.2619048), wk = 0.0043103 k( 180) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0043103 k( 181) = ( 0.2380952 0.5000000 0.2380952), wk = 0.0043103 k( 182) = ( 0.2261905 0.5000000 0.2261905), wk = 0.0043103 k( 183) = ( 0.2142857 0.5000000 0.2142857), wk = 0.0043103 k( 184) = ( 0.2023810 0.5000000 0.2023809), wk = 0.0043103 k( 185) = ( 0.1904762 0.5000000 0.1904762), wk = 0.0043103 k( 186) = ( 0.1785714 0.5000000 0.1785714), wk = 0.0043103 k( 187) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0043103 k( 188) = ( 0.1547619 0.5000000 0.1547619), wk = 0.0043103 k( 189) = ( 0.1428571 0.5000000 0.1428571), wk = 0.0043103 k( 190) = ( 0.1309524 0.5000000 0.1309524), wk = 0.0043103 k( 191) = ( 0.1190476 0.5000000 0.1190476), wk = 0.0043103 k( 192) = ( 0.1071429 0.5000000 0.1071429), wk = 0.0043103 k( 193) = ( 0.0952381 0.5000000 0.0952381), wk = 0.0043103 k( 194) = ( 0.0833333 0.5000000 0.0833333), wk = 0.0043103 k( 195) = ( 0.0714286 0.5000000 0.0714286), wk = 0.0043103 k( 196) = ( 0.0595238 0.5000000 0.0595238), wk = 0.0043103 k( 197) = ( 0.0476191 0.5000000 0.0476190), wk = 0.0043103 k( 198) = ( 0.0357143 0.5000000 0.0357143), wk = 0.0043103 k( 199) = ( 0.0238095 0.5000000 0.0238095), wk = 0.0043103 k( 200) = ( 0.0119048 0.5000000 0.0119048), wk = 0.0043103 k( 201) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0043103 k( 202) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0043103 k( 203) = ( 0.5000000 0.5000000 0.0166667), wk = 0.0043103 k( 204) = ( 0.5000000 0.5000000 0.0333333), wk = 0.0043103 k( 205) = ( 0.5000000 0.5000000 0.0500000), wk = 0.0043103 k( 206) = ( 0.5000000 0.5000000 0.0666667), wk = 0.0043103 k( 207) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0043103 k( 208) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0043103 k( 209) = ( 0.5000000 0.5000000 0.1166667), wk = 0.0043103 k( 210) = ( 0.5000000 0.5000000 0.1333333), wk = 0.0043103 k( 211) = ( 0.5000000 0.5000000 0.1500000), wk = 0.0043103 k( 212) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0043103 k( 213) = ( 0.5000000 0.5000000 0.1833333), wk = 0.0043103 k( 214) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0043103 k( 215) = ( 0.5000000 0.5000000 0.2166667), wk = 0.0043103 k( 216) = ( 0.5000000 0.5000000 0.2333333), wk = 0.0043103 k( 217) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0043103 k( 218) = ( 0.5000000 0.5000000 0.2666667), wk = 0.0043103 k( 219) = ( 0.5000000 0.5000000 0.2833333), wk = 0.0043103 k( 220) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0043103 k( 221) = ( 0.5000000 0.5000000 0.3166667), wk = 0.0043103 k( 222) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0043103 k( 223) = ( 0.5000000 0.5000000 0.3500000), wk = 0.0043103 k( 224) = ( 0.5000000 0.5000000 0.3666667), wk = 0.0043103 k( 225) = ( 0.5000000 0.5000000 0.3833333), wk = 0.0043103 k( 226) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0043103 k( 227) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0043103 k( 228) = ( 0.5000000 0.5000000 0.4333333), wk = 0.0043103 k( 229) = ( 0.5000000 0.5000000 0.4500000), wk = 0.0043103 k( 230) = ( 0.5000000 0.5000000 0.4666667), wk = 0.0043103 k( 231) = ( 0.5000000 0.5000000 0.4833333), wk = 0.0043103 k( 232) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0043103 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043103 k( 2) = ( 0.0000000 0.0166667 0.0000000), wk = 0.0043103 k( 3) = ( 0.0000000 0.0333333 0.0000000), wk = 0.0043103 k( 4) = ( 0.0000000 0.0500000 0.0000000), wk = 0.0043103 k( 5) = ( 0.0000000 0.0666667 0.0000000), wk = 0.0043103 k( 6) = ( 0.0000000 0.0833333 0.0000000), wk = 0.0043103 k( 7) = ( 0.0000000 0.1000000 0.0000000), wk = 0.0043103 k( 8) = ( 0.0000000 0.1166667 0.0000000), wk = 0.0043103 k( 9) = ( 0.0000000 0.1333333 0.0000000), wk = 0.0043103 k( 10) = ( 0.0000000 0.1500000 0.0000000), wk = 0.0043103 k( 11) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0043103 k( 12) = ( 0.0000000 0.1833333 0.0000000), wk = 0.0043103 k( 13) = ( 0.0000000 0.2000000 0.0000000), wk = 0.0043103 k( 14) = ( 0.0000000 0.2166667 0.0000000), wk = 0.0043103 k( 15) = ( 0.0000000 0.2333333 0.0000000), wk = 0.0043103 k( 16) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0043103 k( 17) = ( 0.0000000 0.2666667 0.0000000), wk = 0.0043103 k( 18) = ( 0.0000000 0.2833333 0.0000000), wk = 0.0043103 k( 19) = ( 0.0000000 0.3000000 0.0000000), wk = 0.0043103 k( 20) = ( 0.0000000 0.3166667 0.0000000), wk = 0.0043103 k( 21) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0043103 k( 22) = ( 0.0000000 0.3500000 0.0000000), wk = 0.0043103 k( 23) = ( 0.0000000 0.3666667 0.0000000), wk = 0.0043103 k( 24) = ( 0.0000000 0.3833333 0.0000000), wk = 0.0043103 k( 25) = ( 0.0000000 0.4000000 0.0000000), wk = 0.0043103 k( 26) = ( 0.0000000 0.4166667 0.0000000), wk = 0.0043103 k( 27) = ( 0.0000000 0.4333333 0.0000000), wk = 0.0043103 k( 28) = ( 0.0000000 0.4500000 0.0000000), wk = 0.0043103 k( 29) = ( 0.0000000 0.4666667 0.0000000), wk = 0.0043103 k( 30) = ( 0.0000000 0.4833333 0.0000000), wk = 0.0043103 k( 31) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0043103 k( 32) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0043103 k( 33) = ( 0.0166667 0.5000000 0.0000000), wk = 0.0043103 k( 34) = ( 0.0333333 0.5000000 0.0000000), wk = 0.0043103 k( 35) = ( 0.0500000 0.5000000 0.0000000), wk = 0.0043103 k( 36) = ( 0.0666667 0.5000000 0.0000000), wk = 0.0043103 k( 37) = ( 0.0833333 0.5000000 0.0000000), wk = 0.0043103 k( 38) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0043103 k( 39) = ( 0.1166667 0.5000000 0.0000000), wk = 0.0043103 k( 40) = ( 0.1333333 0.5000000 0.0000000), wk = 0.0043103 k( 41) = ( 0.1500000 0.5000000 0.0000000), wk = 0.0043103 k( 42) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0043103 k( 43) = ( 0.1833333 0.5000000 0.0000000), wk = 0.0043103 k( 44) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0043103 k( 45) = ( 0.2166667 0.5000000 0.0000000), wk = 0.0043103 k( 46) = ( 0.2333333 0.5000000 0.0000000), wk = 0.0043103 k( 47) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0043103 k( 48) = ( 0.2666667 0.5000000 0.0000000), wk = 0.0043103 k( 49) = ( 0.2833333 0.5000000 0.0000000), wk = 0.0043103 k( 50) = ( 0.3000000 0.5000000 0.0000000), wk = 0.0043103 k( 51) = ( 0.3166667 0.5000000 0.0000000), wk = 0.0043103 k( 52) = ( 0.3333333 0.5000000 0.0000000), wk = 0.0043103 k( 53) = ( 0.3500000 0.5000000 0.0000000), wk = 0.0043103 k( 54) = ( 0.3666667 0.5000000 0.0000000), wk = 0.0043103 k( 55) = ( 0.3833333 0.5000000 0.0000000), wk = 0.0043103 k( 56) = ( 0.4000000 0.5000000 0.0000000), wk = 0.0043103 k( 57) = ( 0.4166667 0.5000000 0.0000000), wk = 0.0043103 k( 58) = ( 0.4333333 0.5000000 0.0000000), wk = 0.0043103 k( 59) = ( 0.4500000 0.5000000 0.0000000), wk = 0.0043103 k( 60) = ( 0.4666667 0.5000000 0.0000000), wk = 0.0043103 k( 61) = ( 0.4833333 0.5000000 0.0000000), wk = 0.0043103 k( 62) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0043103 k( 63) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0043103 k( 64) = ( 0.4880952 0.4880952 0.0000000), wk = 0.0043103 k( 65) = ( 0.4761905 0.4761905 0.0000000), wk = 0.0043103 k( 66) = ( 0.4642857 0.4642857 0.0000000), wk = 0.0043103 k( 67) = ( 0.4523810 0.4523810 0.0000000), wk = 0.0043103 k( 68) = ( 0.4404762 0.4404762 -0.0000000), wk = 0.0043103 k( 69) = ( 0.4285714 0.4285714 0.0000000), wk = 0.0043103 k( 70) = ( 0.4166667 0.4166667 0.0000000), wk = 0.0043103 k( 71) = ( 0.4047619 0.4047619 0.0000000), wk = 0.0043103 k( 72) = ( 0.3928571 0.3928571 -0.0000000), wk = 0.0043103 k( 73) = ( 0.3809524 0.3809524 -0.0000000), wk = 0.0043103 k( 74) = ( 0.3690476 0.3690476 0.0000000), wk = 0.0043103 k( 75) = ( 0.3571429 0.3571429 0.0000000), wk = 0.0043103 k( 76) = ( 0.3452381 0.3452381 0.0000000), wk = 0.0043103 k( 77) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0043103 k( 78) = ( 0.3214286 0.3214286 -0.0000000), wk = 0.0043103 k( 79) = ( 0.3095238 0.3095238 0.0000000), wk = 0.0043103 k( 80) = ( 0.2976190 0.2976190 0.0000000), wk = 0.0043103 k( 81) = ( 0.2857143 0.2857143 0.0000000), wk = 0.0043103 k( 82) = ( 0.2738095 0.2738095 0.0000000), wk = 0.0043103 k( 83) = ( 0.2619048 0.2619048 0.0000000), wk = 0.0043103 k( 84) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0043103 k( 85) = ( 0.2380952 0.2380952 0.0000000), wk = 0.0043103 k( 86) = ( 0.2261905 0.2261905 0.0000000), wk = 0.0043103 k( 87) = ( 0.2142857 0.2142857 0.0000000), wk = 0.0043103 k( 88) = ( 0.2023810 0.2023810 0.0000000), wk = 0.0043103 k( 89) = ( 0.1904762 0.1904762 -0.0000000), wk = 0.0043103 k( 90) = ( 0.1785714 0.1785714 0.0000000), wk = 0.0043103 k( 91) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0043103 k( 92) = ( 0.1547619 0.1547619 0.0000000), wk = 0.0043103 k( 93) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0043103 k( 94) = ( 0.1309524 0.1309524 0.0000000), wk = 0.0043103 k( 95) = ( 0.1190476 0.1190476 0.0000000), wk = 0.0043103 k( 96) = ( 0.1071429 0.1071429 0.0000000), wk = 0.0043103 k( 97) = ( 0.0952381 0.0952381 0.0000000), wk = 0.0043103 k( 98) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0043103 k( 99) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0043103 k( 100) = ( 0.0595238 0.0595238 0.0000000), wk = 0.0043103 k( 101) = ( 0.0476191 0.0476191 0.0000000), wk = 0.0043103 k( 102) = ( 0.0357143 0.0357143 0.0000000), wk = 0.0043103 k( 103) = ( 0.0238095 0.0238095 0.0000000), wk = 0.0043103 k( 104) = ( 0.0119048 0.0119048 0.0000000), wk = 0.0043103 k( 105) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043103 k( 106) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043103 k( 107) = ( 0.0096154 0.0096154 0.0096154), wk = 0.0043103 k( 108) = ( 0.0192308 0.0192308 0.0192308), wk = 0.0043103 k( 109) = ( 0.0288462 0.0288462 0.0288462), wk = 0.0043103 k( 110) = ( 0.0384615 0.0384615 0.0384615), wk = 0.0043103 k( 111) = ( 0.0480769 0.0480769 0.0480769), wk = 0.0043103 k( 112) = ( 0.0576923 0.0576923 0.0576923), wk = 0.0043103 k( 113) = ( 0.0673077 0.0673077 0.0673077), wk = 0.0043103 k( 114) = ( 0.0769231 0.0769231 0.0769231), wk = 0.0043103 k( 115) = ( 0.0865385 0.0865385 0.0865385), wk = 0.0043103 k( 116) = ( 0.0961538 0.0961538 0.0961538), wk = 0.0043103 k( 117) = ( 0.1057692 0.1057692 0.1057692), wk = 0.0043103 k( 118) = ( 0.1153846 0.1153846 0.1153846), wk = 0.0043103 k( 119) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0043103 k( 120) = ( 0.1346154 0.1346154 0.1346154), wk = 0.0043103 k( 121) = ( 0.1442308 0.1442308 0.1442308), wk = 0.0043103 k( 122) = ( 0.1538461 0.1538461 0.1538461), wk = 0.0043103 k( 123) = ( 0.1634615 0.1634615 0.1634615), wk = 0.0043103 k( 124) = ( 0.1730769 0.1730769 0.1730769), wk = 0.0043103 k( 125) = ( 0.1826923 0.1826923 0.1826923), wk = 0.0043103 k( 126) = ( 0.1923077 0.1923077 0.1923077), wk = 0.0043103 k( 127) = ( 0.2019231 0.2019231 0.2019231), wk = 0.0043103 k( 128) = ( 0.2115385 0.2115385 0.2115385), wk = 0.0043103 k( 129) = ( 0.2211539 0.2211539 0.2211539), wk = 0.0043103 k( 130) = ( 0.2307692 0.2307692 0.2307692), wk = 0.0043103 k( 131) = ( 0.2403846 0.2403846 0.2403846), wk = 0.0043103 k( 132) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0043103 k( 133) = ( 0.2596154 0.2596154 0.2596154), wk = 0.0043103 k( 134) = ( 0.2692308 0.2692308 0.2692308), wk = 0.0043103 k( 135) = ( 0.2788462 0.2788462 0.2788462), wk = 0.0043103 k( 136) = ( 0.2884615 0.2884615 0.2884615), wk = 0.0043103 k( 137) = ( 0.2980769 0.2980769 0.2980769), wk = 0.0043103 k( 138) = ( 0.3076923 0.3076923 0.3076923), wk = 0.0043103 k( 139) = ( 0.3173077 0.3173077 0.3173077), wk = 0.0043103 k( 140) = ( 0.3269231 0.3269231 0.3269231), wk = 0.0043103 k( 141) = ( 0.3365385 0.3365385 0.3365385), wk = 0.0043103 k( 142) = ( 0.3461538 0.3461538 0.3461538), wk = 0.0043103 k( 143) = ( 0.3557692 0.3557692 0.3557692), wk = 0.0043103 k( 144) = ( 0.3653846 0.3653846 0.3653846), wk = 0.0043103 k( 145) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0043103 k( 146) = ( 0.3846154 0.3846154 0.3846154), wk = 0.0043103 k( 147) = ( 0.3942308 0.3942308 0.3942308), wk = 0.0043103 k( 148) = ( 0.4038462 0.4038462 0.4038462), wk = 0.0043103 k( 149) = ( 0.4134615 0.4134615 0.4134615), wk = 0.0043103 k( 150) = ( 0.4230769 0.4230769 0.4230769), wk = 0.0043103 k( 151) = ( 0.4326923 0.4326923 0.4326923), wk = 0.0043103 k( 152) = ( 0.4423077 0.4423077 0.4423077), wk = 0.0043103 k( 153) = ( 0.4519231 0.4519231 0.4519231), wk = 0.0043103 k( 154) = ( 0.4615385 0.4615385 0.4615385), wk = 0.0043103 k( 155) = ( 0.4711538 0.4711538 0.4711538), wk = 0.0043103 k( 156) = ( 0.4807692 0.4807692 0.4807692), wk = 0.0043103 k( 157) = ( 0.4903846 0.4903846 0.4903846), wk = 0.0043103 k( 158) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0043103 k( 159) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0043103 k( 160) = ( 0.4880952 0.5000000 0.4880952), wk = 0.0043103 k( 161) = ( 0.4761905 0.5000000 0.4761905), wk = 0.0043103 k( 162) = ( 0.4642857 0.5000000 0.4642857), wk = 0.0043103 k( 163) = ( 0.4523810 0.5000000 0.4523810), wk = 0.0043103 k( 164) = ( 0.4404762 0.5000000 0.4404762), wk = 0.0043103 k( 165) = ( 0.4285714 0.5000000 0.4285714), wk = 0.0043103 k( 166) = ( 0.4166667 0.5000000 0.4166667), wk = 0.0043103 k( 167) = ( 0.4047619 0.5000000 0.4047619), wk = 0.0043103 k( 168) = ( 0.3928571 0.5000000 0.3928571), wk = 0.0043103 k( 169) = ( 0.3809524 0.5000000 0.3809524), wk = 0.0043103 k( 170) = ( 0.3690476 0.5000000 0.3690476), wk = 0.0043103 k( 171) = ( 0.3571429 0.5000000 0.3571429), wk = 0.0043103 k( 172) = ( 0.3452381 0.5000000 0.3452381), wk = 0.0043103 k( 173) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0043103 k( 174) = ( 0.3214286 0.5000000 0.3214286), wk = 0.0043103 k( 175) = ( 0.3095238 0.5000000 0.3095238), wk = 0.0043103 k( 176) = ( 0.2976190 0.5000000 0.2976190), wk = 0.0043103 k( 177) = ( 0.2857143 0.5000000 0.2857143), wk = 0.0043103 k( 178) = ( 0.2738095 0.5000000 0.2738095), wk = 0.0043103 k( 179) = ( 0.2619048 0.5000000 0.2619048), wk = 0.0043103 k( 180) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0043103 k( 181) = ( 0.2380952 0.5000000 0.2380952), wk = 0.0043103 k( 182) = ( 0.2261905 0.5000000 0.2261905), wk = 0.0043103 k( 183) = ( 0.2142857 0.5000000 0.2142857), wk = 0.0043103 k( 184) = ( 0.2023810 0.5000000 0.2023810), wk = 0.0043103 k( 185) = ( 0.1904762 0.5000000 0.1904762), wk = 0.0043103 k( 186) = ( 0.1785714 0.5000000 0.1785714), wk = 0.0043103 k( 187) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0043103 k( 188) = ( 0.1547619 0.5000000 0.1547619), wk = 0.0043103 k( 189) = ( 0.1428571 0.5000000 0.1428571), wk = 0.0043103 k( 190) = ( 0.1309524 0.5000000 0.1309524), wk = 0.0043103 k( 191) = ( 0.1190476 0.5000000 0.1190476), wk = 0.0043103 k( 192) = ( 0.1071429 0.5000000 0.1071429), wk = 0.0043103 k( 193) = ( 0.0952381 0.5000000 0.0952381), wk = 0.0043103 k( 194) = ( 0.0833333 0.5000000 0.0833333), wk = 0.0043103 k( 195) = ( 0.0714286 0.5000000 0.0714286), wk = 0.0043103 k( 196) = ( 0.0595238 0.5000000 0.0595238), wk = 0.0043103 k( 197) = ( 0.0476191 0.5000000 0.0476191), wk = 0.0043103 k( 198) = ( 0.0357143 0.5000000 0.0357143), wk = 0.0043103 k( 199) = ( 0.0238095 0.5000000 0.0238095), wk = 0.0043103 k( 200) = ( 0.0119048 0.5000000 0.0119048), wk = 0.0043103 k( 201) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0043103 k( 202) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0043103 k( 203) = ( 0.5000000 0.5000000 0.0166667), wk = 0.0043103 k( 204) = ( 0.5000000 0.5000000 0.0333333), wk = 0.0043103 k( 205) = ( 0.5000000 0.5000000 0.0500000), wk = 0.0043103 k( 206) = ( 0.5000000 0.5000000 0.0666667), wk = 0.0043103 k( 207) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0043103 k( 208) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0043103 k( 209) = ( 0.5000000 0.5000000 0.1166667), wk = 0.0043103 k( 210) = ( 0.5000000 0.5000000 0.1333333), wk = 0.0043103 k( 211) = ( 0.5000000 0.5000000 0.1500000), wk = 0.0043103 k( 212) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0043103 k( 213) = ( 0.5000000 0.5000000 0.1833333), wk = 0.0043103 k( 214) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0043103 k( 215) = ( 0.5000000 0.5000000 0.2166667), wk = 0.0043103 k( 216) = ( 0.5000000 0.5000000 0.2333333), wk = 0.0043103 k( 217) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0043103 k( 218) = ( 0.5000000 0.5000000 0.2666667), wk = 0.0043103 k( 219) = ( 0.5000000 0.5000000 0.2833333), wk = 0.0043103 k( 220) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0043103 k( 221) = ( 0.5000000 0.5000000 0.3166667), wk = 0.0043103 k( 222) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0043103 k( 223) = ( 0.5000000 0.5000000 0.3500000), wk = 0.0043103 k( 224) = ( 0.5000000 0.5000000 0.3666667), wk = 0.0043103 k( 225) = ( 0.5000000 0.5000000 0.3833333), wk = 0.0043103 k( 226) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0043103 k( 227) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0043103 k( 228) = ( 0.5000000 0.5000000 0.4333333), wk = 0.0043103 k( 229) = ( 0.5000000 0.5000000 0.4500000), wk = 0.0043103 k( 230) = ( 0.5000000 0.5000000 0.4666667), wk = 0.0043103 k( 231) = ( 0.5000000 0.5000000 0.4833333), wk = 0.0043103 k( 232) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0043103 Dense grid: 278177 G-vectors FFT dimensions: ( 81, 81, 81) Smooth grid: 44299 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.43 Mb ( 330, 86) NL pseudopotentials 0.49 Mb ( 165, 194) Each V/rho on FFT grid 0.30 Mb ( 19683) Each G-vector array 0.06 Mb ( 7729) G-vector shells 0.01 Mb ( 1177) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.73 Mb ( 330, 344) Each subspace H/S matrix 0.11 Mb ( 86, 86) Each matrix 0.51 Mb ( 194, 2, 86) The potential is recalculated from file : ./KCdxNO2x3.save/charge-density.dat Starting wfc are 106 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.0 secs Computing kpt #: 2 total cpu time spent up to now is 5.1 secs Computing kpt #: 3 total cpu time spent up to now is 6.0 secs Computing kpt #: 4 total cpu time spent up to now is 6.9 secs Computing kpt #: 5 total cpu time spent up to now is 7.9 secs Computing kpt #: 6 total cpu time spent up to now is 8.9 secs Computing kpt #: 7 total cpu time spent up to now is 9.8 secs Computing kpt #: 8 total cpu time spent up to now is 10.8 secs Computing kpt #: 9 total cpu time spent up to now is 11.7 secs Computing kpt #: 10 total cpu time spent up to now is 12.7 secs Computing kpt #: 11 total cpu time spent up to now is 13.7 secs Computing kpt #: 12 total cpu time spent up to now is 14.6 secs Computing kpt #: 13 total cpu time spent up to now is 15.6 secs Computing kpt #: 14 total cpu time spent up to now is 16.5 secs Computing kpt #: 15 total cpu time spent up to now is 17.5 secs Computing kpt #: 16 total cpu time spent up to now is 18.4 secs Computing kpt #: 17 total cpu time spent up to now is 19.4 secs Computing kpt #: 18 total cpu time spent up to now is 20.4 secs Computing kpt #: 19 total cpu time spent up to now is 21.3 secs Computing kpt #: 20 total cpu time spent up to now is 22.3 secs Computing kpt #: 21 total cpu time spent up to now is 23.3 secs Computing kpt #: 22 total cpu time spent up to now is 24.2 secs Computing kpt #: 23 total cpu time spent up to now is 25.2 secs Computing kpt #: 24 total cpu time spent up to now is 26.2 secs Computing kpt #: 25 total cpu time spent up to now is 27.1 secs Computing kpt #: 26 total cpu time spent up to now is 28.1 secs Computing kpt #: 27 total cpu time spent up to now is 29.0 secs Computing kpt #: 28 total cpu time spent up to now is 29.9 secs Computing kpt #: 29 total cpu time spent up to now is 30.9 secs Computing kpt #: 30 total cpu time spent up to now is 31.8 secs Computing kpt #: 31 total cpu time spent up to now is 32.8 secs Computing kpt #: 32 total cpu time spent up to now is 33.7 secs Computing kpt #: 33 total cpu time spent up to now is 34.6 secs Computing kpt #: 34 total cpu time spent up to now is 35.5 secs Computing kpt #: 35 total cpu time spent up to now is 36.5 secs Computing kpt #: 36 total cpu time spent up to now is 37.4 secs Computing kpt #: 37 total cpu time spent up to now is 38.4 secs Computing kpt #: 38 total cpu time spent up to now is 39.3 secs Computing kpt #: 39 total cpu time spent up to now is 40.2 secs Computing kpt #: 40 total cpu time spent up to now is 41.2 secs Computing kpt #: 41 total cpu time spent up to now is 42.1 secs Computing kpt #: 42 total cpu time spent up to now is 43.1 secs Computing kpt #: 43 total cpu time spent up to now is 44.1 secs Computing kpt #: 44 total cpu time spent up to now is 45.0 secs Computing kpt #: 45 total cpu time spent up to now is 46.0 secs Computing kpt #: 46 total cpu time spent up to now is 46.9 secs Computing kpt #: 47 total cpu time spent up to now is 47.9 secs Computing kpt #: 48 total cpu time spent up to now is 48.9 secs Computing kpt #: 49 total cpu time spent up to now is 49.8 secs Computing kpt #: 50 total cpu time spent up to now is 50.8 secs Computing kpt #: 51 total cpu time spent up to now is 51.8 secs Computing kpt #: 52 total cpu time spent up to now is 52.7 secs Computing kpt #: 53 total cpu time spent up to now is 53.7 secs Computing kpt #: 54 total cpu time spent up to now is 54.6 secs Computing kpt #: 55 total cpu time spent up to now is 55.6 secs Computing kpt #: 56 total cpu time spent up to now is 56.5 secs Computing kpt #: 57 total cpu time spent up to now is 57.5 secs Computing kpt #: 58 total cpu time spent up to now is 58.4 secs Computing kpt #: 59 total cpu time spent up to now is 59.4 secs Computing kpt #: 60 total cpu time spent up to now is 60.3 secs Computing kpt #: 61 total cpu time spent up to now is 61.3 secs Computing kpt #: 62 total cpu time spent up to now is 62.2 secs Computing kpt #: 63 total cpu time spent up to now is 63.1 secs Computing kpt #: 64 total cpu time spent up to now is 64.1 secs Computing kpt #: 65 total cpu time spent up to now is 65.0 secs Computing kpt #: 66 total cpu time spent up to now is 66.0 secs Computing kpt #: 67 total cpu time spent up to now is 66.9 secs Computing kpt #: 68 total cpu time spent up to now is 67.9 secs Computing kpt #: 69 total cpu time spent up to now is 68.8 secs Computing kpt #: 70 total cpu time spent up to now is 69.8 secs Computing kpt #: 71 total cpu time spent up to now is 70.7 secs Computing kpt #: 72 total cpu time spent up to now is 71.7 secs Computing kpt #: 73 total cpu time spent up to now is 72.7 secs Computing kpt #: 74 total cpu time spent up to now is 73.6 secs Computing kpt #: 75 total cpu time spent up to now is 74.6 secs Computing kpt #: 76 total cpu time spent up to now is 75.6 secs Computing kpt #: 77 total cpu time spent up to now is 76.5 secs Computing kpt #: 78 total cpu time spent up to now is 77.5 secs Computing kpt #: 79 total cpu time spent up to now is 78.5 secs Computing kpt #: 80 total cpu time spent up to now is 79.5 secs Computing kpt #: 81 total cpu time spent up to now is 80.4 secs Computing kpt #: 82 total cpu time spent up to now is 81.4 secs Computing kpt #: 83 total cpu time spent up to now is 82.4 secs Computing kpt #: 84 total cpu time spent up to now is 83.4 secs Computing kpt #: 85 total cpu time spent up to now is 84.3 secs Computing kpt #: 86 total cpu time spent up to now is 85.3 secs Computing kpt #: 87 total cpu time spent up to now is 86.3 secs Computing kpt #: 88 total cpu time spent up to now is 87.2 secs Computing kpt #: 89 total cpu time spent up to now is 88.2 secs Computing kpt #: 90 total cpu time spent up to now is 89.2 secs Computing kpt #: 91 total cpu time spent up to now is 90.2 secs Computing kpt #: 92 total cpu time spent up to now is 91.1 secs Computing kpt #: 93 total cpu time spent up to now is 92.1 secs Computing kpt #: 94 total cpu time spent up to now is 93.1 secs Computing kpt #: 95 total cpu time spent up to now is 94.1 secs Computing kpt #: 96 total cpu time spent up to now is 95.1 secs Computing kpt #: 97 total cpu time spent up to now is 96.0 secs Computing kpt #: 98 total cpu time spent up to now is 97.0 secs Computing kpt #: 99 total cpu time spent up to now is 98.0 secs Computing kpt #: 100 total cpu time spent up to now is 99.0 secs Computing kpt #: 101 total cpu time spent up to now is 99.9 secs Computing kpt #: 102 total cpu time spent up to now is 100.9 secs Computing kpt #: 103 total cpu time spent up to now is 101.8 secs Computing kpt #: 104 total cpu time spent up to now is 102.7 secs Computing kpt #: 105 total cpu time spent up to now is 103.7 secs Computing kpt #: 106 total cpu time spent up to now is 104.6 secs Computing kpt #: 107 total cpu time spent up to now is 105.6 secs Computing kpt #: 108 total cpu time spent up to now is 106.5 secs Computing kpt #: 109 total cpu time spent up to now is 107.5 secs Computing kpt #: 110 total cpu time spent up to now is 108.4 secs Computing kpt #: 111 total cpu time spent up to now is 109.4 secs Computing kpt #: 112 total cpu time spent up to now is 110.3 secs Computing kpt #: 113 total cpu time spent up to now is 111.3 secs Computing kpt #: 114 total cpu time spent up to now is 112.3 secs Computing kpt #: 115 total cpu time spent up to now is 113.2 secs Computing kpt #: 116 total cpu time spent up to now is 114.2 secs Computing kpt #: 117 total cpu time spent up to now is 115.2 secs Computing kpt #: 118 total cpu time spent up to now is 116.1 secs Computing kpt #: 119 total cpu time spent up to now is 117.1 secs Computing kpt #: 120 total cpu time spent up to now is 118.1 secs Computing kpt #: 121 total cpu time spent up to now is 119.1 secs Computing kpt #: 122 total cpu time spent up to now is 120.0 secs Computing kpt #: 123 total cpu time spent up to now is 121.0 secs Computing kpt #: 124 total cpu time spent up to now is 122.0 secs Computing kpt #: 125 total cpu time spent up to now is 122.9 secs Computing kpt #: 126 total cpu time spent up to now is 123.9 secs Computing kpt #: 127 total cpu time spent up to now is 124.9 secs Computing kpt #: 128 total cpu time spent up to now is 125.8 secs Computing kpt #: 129 total cpu time spent up to now is 126.8 secs Computing kpt #: 130 total cpu time spent up to now is 127.8 secs Computing kpt #: 131 total cpu time spent up to now is 128.7 secs Computing kpt #: 132 total cpu time spent up to now is 129.7 secs Computing kpt #: 133 total cpu time spent up to now is 130.7 secs Computing kpt #: 134 total cpu time spent up to now is 131.6 secs Computing kpt #: 135 total cpu time spent up to now is 132.6 secs Computing kpt #: 136 total cpu time spent up to now is 133.6 secs Computing kpt #: 137 total cpu time spent up to now is 134.5 secs Computing kpt #: 138 total cpu time spent up to now is 135.5 secs Computing kpt #: 139 total cpu time spent up to now is 136.5 secs Computing kpt #: 140 total cpu time spent up to now is 137.4 secs Computing kpt #: 141 total cpu time spent up to now is 138.4 secs Computing kpt #: 142 total cpu time spent up to now is 139.4 secs Computing kpt #: 143 total cpu time spent up to now is 140.3 secs Computing kpt #: 144 total cpu time spent up to now is 141.3 secs Computing kpt #: 145 total cpu time spent up to now is 142.3 secs Computing kpt #: 146 total cpu time spent up to now is 143.2 secs Computing kpt #: 147 total cpu time spent up to now is 144.2 secs Computing kpt #: 148 total cpu time spent up to now is 145.1 secs Computing kpt #: 149 total cpu time spent up to now is 146.0 secs Computing kpt #: 150 total cpu time spent up to now is 147.0 secs Computing kpt #: 151 total cpu time spent up to now is 147.9 secs Computing kpt #: 152 total cpu time spent up to now is 148.8 secs Computing kpt #: 153 total cpu time spent up to now is 149.8 secs Computing kpt #: 154 total cpu time spent up to now is 150.7 secs Computing kpt #: 155 total cpu time spent up to now is 151.6 secs Computing kpt #: 156 total cpu time spent up to now is 152.6 secs Computing kpt #: 157 total cpu time spent up to now is 153.5 secs Computing kpt #: 158 total cpu time spent up to now is 154.4 secs Computing kpt #: 159 total cpu time spent up to now is 155.3 secs Computing kpt #: 160 total cpu time spent up to now is 156.3 secs Computing kpt #: 161 total cpu time spent up to now is 157.2 secs Computing kpt #: 162 total cpu time spent up to now is 158.1 secs Computing kpt #: 163 total cpu time spent up to now is 159.0 secs Computing kpt #: 164 total cpu time spent up to now is 159.9 secs Computing kpt #: 165 total cpu time spent up to now is 160.9 secs Computing kpt #: 166 total cpu time spent up to now is 161.8 secs Computing kpt #: 167 total cpu time spent up to now is 162.7 secs Computing kpt #: 168 total cpu time spent up to now is 163.7 secs Computing kpt #: 169 total cpu time spent up to now is 164.6 secs Computing kpt #: 170 total cpu time spent up to now is 165.6 secs Computing kpt #: 171 total cpu time spent up to now is 166.5 secs Computing kpt #: 172 total cpu time spent up to now is 167.5 secs Computing kpt #: 173 total cpu time spent up to now is 168.4 secs Computing kpt #: 174 total cpu time spent up to now is 169.4 secs Computing kpt #: 175 total cpu time spent up to now is 170.4 secs Computing kpt #: 176 total cpu time spent up to now is 171.3 secs Computing kpt #: 177 total cpu time spent up to now is 172.3 secs Computing kpt #: 178 total cpu time spent up to now is 173.2 secs Computing kpt #: 179 total cpu time spent up to now is 174.2 secs Computing kpt #: 180 total cpu time spent up to now is 175.1 secs Computing kpt #: 181 total cpu time spent up to now is 176.1 secs Computing kpt #: 182 total cpu time spent up to now is 177.1 secs Computing kpt #: 183 total cpu time spent up to now is 178.1 secs Computing kpt #: 184 total cpu time spent up to now is 179.0 secs Computing kpt #: 185 total cpu time spent up to now is 180.0 secs Computing kpt #: 186 total cpu time spent up to now is 181.0 secs Computing kpt #: 187 total cpu time spent up to now is 181.9 secs Computing kpt #: 188 total cpu time spent up to now is 182.9 secs Computing kpt #: 189 total cpu time spent up to now is 183.8 secs Computing kpt #: 190 total cpu time spent up to now is 184.8 secs Computing kpt #: 191 total cpu time spent up to now is 185.8 secs Computing kpt #: 192 total cpu time spent up to now is 186.7 secs Computing kpt #: 193 total cpu time spent up to now is 187.7 secs Computing kpt #: 194 total cpu time spent up to now is 188.6 secs Computing kpt #: 195 total cpu time spent up to now is 189.6 secs Computing kpt #: 196 total cpu time spent up to now is 190.5 secs Computing kpt #: 197 total cpu time spent up to now is 191.5 secs Computing kpt #: 198 total cpu time spent up to now is 192.4 secs Computing kpt #: 199 total cpu time spent up to now is 193.3 secs Computing kpt #: 200 total cpu time spent up to now is 194.3 secs Computing kpt #: 201 total cpu time spent up to now is 195.2 secs Computing kpt #: 202 total cpu time spent up to now is 196.1 secs Computing kpt #: 203 total cpu time spent up to now is 197.1 secs Computing kpt #: 204 total cpu time spent up to now is 198.0 secs Computing kpt #: 205 total cpu time spent up to now is 199.0 secs Computing kpt #: 206 total cpu time spent up to now is 199.9 secs Computing kpt #: 207 total cpu time spent up to now is 200.8 secs Computing kpt #: 208 total cpu time spent up to now is 201.8 secs Computing kpt #: 209 total cpu time spent up to now is 202.7 secs Computing kpt #: 210 total cpu time spent up to now is 203.6 secs Computing kpt #: 211 total cpu time spent up to now is 204.6 secs Computing kpt #: 212 total cpu time spent up to now is 205.5 secs Computing kpt #: 213 total cpu time spent up to now is 206.5 secs Computing kpt #: 214 total cpu time spent up to now is 207.4 secs Computing kpt #: 215 total cpu time spent up to now is 208.4 secs Computing kpt #: 216 total cpu time spent up to now is 209.3 secs Computing kpt #: 217 total cpu time spent up to now is 210.3 secs Computing kpt #: 218 total cpu time spent up to now is 211.2 secs Computing kpt #: 219 total cpu time spent up to now is 212.1 secs Computing kpt #: 220 total cpu time spent up to now is 213.1 secs Computing kpt #: 221 total cpu time spent up to now is 214.0 secs Computing kpt #: 222 total cpu time spent up to now is 215.0 secs Computing kpt #: 223 total cpu time spent up to now is 215.9 secs Computing kpt #: 224 total cpu time spent up to now is 216.9 secs Computing kpt #: 225 total cpu time spent up to now is 217.8 secs Computing kpt #: 226 total cpu time spent up to now is 218.7 secs Computing kpt #: 227 total cpu time spent up to now is 219.6 secs Computing kpt #: 228 total cpu time spent up to now is 220.6 secs Computing kpt #: 229 total cpu time spent up to now is 221.5 secs Computing kpt #: 230 total cpu time spent up to now is 222.4 secs Computing kpt #: 231 total cpu time spent up to now is 223.3 secs Computing kpt #: 232 total cpu time spent up to now is 224.3 secs ethr = 1.39E-08, avg # of iterations = 12.1 total cpu time spent up to now is 224.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5497 PWs) bands (ev): -24.2832 -24.2832 -18.1686 -18.1686 -17.8772 -17.8772 -17.8772 -17.8772 -15.8924 -15.8924 -15.8923 -15.8923 -15.8923 -15.8923 -7.9849 -7.9849 -7.7232 -7.7232 -7.7232 -7.7232 -7.6346 -7.6346 -7.6346 -7.6346 -7.3116 -7.3116 -3.2614 -3.2614 -3.2614 -3.2614 -2.6271 -2.6271 -2.6260 -2.6260 -2.6260 -2.6260 -2.6251 -2.6251 -2.5443 -2.5443 -2.5443 -2.5443 -2.2287 -2.2287 -2.2200 -2.2200 -2.2200 -2.2200 -1.0789 -1.0789 -1.0574 -1.0574 -1.0574 -1.0574 1.1971 1.1971 1.2039 1.2039 1.2039 1.2039 1.6198 1.6198 1.6198 1.6198 1.6435 1.6435 3.3856 3.3856 4.9450 4.9450 4.9696 4.9696 4.9696 4.9696 5.6081 5.6081 5.6081 5.6081 5.6120 5.6120 5.7637 5.7637 5.7637 5.7637 6.3300 6.3300 k = 0.0000 0.0167-0.0000 ( 5497 PWs) bands (ev): -24.2832 -24.2832 -18.1683 -18.1683 -17.8774 -17.8774 -17.8771 -17.8771 -15.8927 -15.8927 -15.8923 -15.8923 -15.8923 -15.8923 -7.9853 -7.9853 -7.7259 -7.7259 -7.7232 -7.7232 -7.6335 -7.6335 -7.6318 -7.6318 -7.3106 -7.3106 -3.2621 -3.2621 -3.2614 -3.2614 -2.6317 -2.6317 -2.6284 -2.6284 -2.6260 -2.6260 -2.6234 -2.6234 -2.5448 -2.5448 -2.5436 -2.5436 -2.2280 -2.2280 -2.2198 -2.2198 -2.2179 -2.2179 -1.0793 -1.0793 -1.0581 -1.0581 -1.0575 -1.0575 1.1972 1.1972 1.2039 1.2039 1.2042 1.2042 1.6194 1.6194 1.6195 1.6195 1.6431 1.6431 3.3884 3.3884 4.9454 4.9454 4.9697 4.9697 4.9703 4.9703 5.6065 5.6065 5.6081 5.6081 5.6115 5.6115 5.7638 5.7638 5.7670 5.7670 6.3320 6.3320 k = 0.0000 0.0333-0.0000 ( 5502 PWs) bands (ev): -24.2832 -24.2832 -18.1677 -18.1677 -17.8778 -17.8778 -17.8768 -17.8768 -15.8938 -15.8938 -15.8923 -15.8923 -15.8923 -15.8923 -7.9865 -7.9865 -7.7329 -7.7329 -7.7233 -7.7233 -7.6303 -7.6303 -7.6246 -7.6246 -7.3076 -7.3076 -3.2641 -3.2641 -3.2614 -3.2614 -2.6463 -2.6463 -2.6308 -2.6308 -2.6258 -2.6258 -2.6214 -2.6214 -2.5469 -2.5469 -2.5424 -2.5424 -2.2267 -2.2267 -2.2187 -2.2187 -2.2113 -2.2113 -1.0804 -1.0804 -1.0601 -1.0601 -1.0580 -1.0580 1.1977 1.1977 1.2041 1.2041 1.2052 1.2052 1.6183 1.6183 1.6187 1.6187 1.6421 1.6421 3.3969 3.3969 4.9464 4.9464 4.9699 4.9699 4.9724 4.9724 5.6009 5.6009 5.6081 5.6081 5.6114 5.6114 5.7639 5.7639 5.7767 5.7767 6.3380 6.3380 k = 0.0000 0.0500-0.0000 ( 5518 PWs) bands (ev): -24.2832 -24.2832 -18.1667 -18.1667 -17.8787 -17.8787 -17.8762 -17.8762 -15.8956 -15.8956 -15.8924 -15.8924 -15.8923 -15.8923 -7.9884 -7.9884 -7.7425 -7.7425 -7.7233 -7.7233 -7.6252 -7.6252 -7.6143 -7.6143 -7.3024 -7.3024 -3.2676 -3.2676 -3.2614 -3.2614 -2.6674 -2.6674 -2.6333 -2.6333 -2.6254 -2.6254 -2.6194 -2.6194 -2.5517 -2.5517 -2.5417 -2.5417 -2.2266 -2.2266 -2.2152 -2.2152 -2.2001 -2.2001 -1.0824 -1.0824 -1.0636 -1.0636 -1.0588 -1.0588 1.1982 1.1982 1.2045 1.2045 1.2069 1.2069 1.6164 1.6164 1.6173 1.6173 1.6404 1.6404 3.4108 3.4108 4.9477 4.9477 4.9705 4.9705 4.9760 4.9760 5.5916 5.5916 5.6077 5.6077 5.6122 5.6122 5.7640 5.7640 5.7920 5.7920 6.3479 6.3479 k = 0.0000 0.0667-0.0000 ( 5522 PWs) bands (ev): -24.2832 -24.2832 -18.1652 -18.1652 -17.8798 -17.8798 -17.8755 -17.8755 -15.8981 -15.8981 -15.8924 -15.8924 -15.8922 -15.8922 -7.9911 -7.9911 -7.7535 -7.7535 -7.7234 -7.7234 -7.6184 -7.6184 -7.6024 -7.6024 -7.2952 -7.2952 -3.2725 -3.2725 -3.2614 -3.2614 -2.6932 -2.6932 -2.6358 -2.6358 -2.6250 -2.6250 -2.6175 -2.6175 -2.5605 -2.5605 -2.5414 -2.5414 -2.2279 -2.2279 -2.2092 -2.2092 -2.1845 -2.1845 -1.0855 -1.0855 -1.0682 -1.0682 -1.0596 -1.0596 1.1985 1.1985 1.2054 1.2054 1.2094 1.2094 1.6138 1.6138 1.6153 1.6153 1.6382 1.6382 3.4302 3.4302 4.9490 4.9490 4.9719 4.9719 4.9811 4.9811 5.5796 5.5796 5.6069 5.6069 5.6137 5.6137 5.7641 5.7641 5.8123 5.8123 6.3618 6.3618 k = 0.0000 0.0833-0.0000 ( 5522 PWs) bands (ev): -24.2832 -24.2832 -18.1633 -18.1633 -17.8813 -17.8813 -17.8746 -17.8746 -15.9013 -15.9013 -15.8924 -15.8924 -15.8922 -15.8922 -7.9947 -7.9947 -7.7649 -7.7649 -7.7235 -7.7235 -7.6102 -7.6102 -7.5895 -7.5895 -7.2858 -7.2858 -3.2787 -3.2787 -3.2613 -3.2613 -2.7223 -2.7223 -2.6384 -2.6384 -2.6246 -2.6246 -2.6158 -2.6158 -2.5740 -2.5740 -2.5414 -2.5414 -2.2301 -2.2301 -2.2012 -2.2012 -2.1654 -2.1654 -1.0898 -1.0898 -1.0740 -1.0740 -1.0604 -1.0604 1.1985 1.1985 1.2069 1.2069 1.2127 1.2127 1.6105 1.6105 1.6128 1.6128 1.6353 1.6353 3.4548 3.4548 4.9497 4.9497 4.9743 4.9743 4.9878 4.9878 5.5652 5.5652 5.6058 5.6058 5.6157 5.6157 5.7640 5.7640 5.8371 5.8371 6.3796 6.3796 k = 0.0000 0.1000-0.0000 ( 5530 PWs) bands (ev): -24.2831 -24.2831 -18.1610 -18.1610 -17.8831 -17.8831 -17.8734 -17.8734 -15.9051 -15.9051 -15.8924 -15.8924 -15.8922 -15.8922 -7.9990 -7.9990 -7.7761 -7.7761 -7.7236 -7.7236 -7.6011 -7.6011 -7.5757 -7.5757 -7.2741 -7.2741 -3.2862 -3.2862 -3.2613 -3.2613 -2.7542 -2.7542 -2.6411 -2.6411 -2.6244 -2.6244 -2.6144 -2.6144 -2.5911 -2.5911 -2.5414 -2.5414 -2.2330 -2.2330 -2.1915 -2.1915 -2.1434 -2.1434 -1.0958 -1.0958 -1.0806 -1.0806 -1.0611 -1.0611 1.1981 1.1981 1.2088 1.2088 1.2167 1.2167 1.6065 1.6065 1.6098 1.6098 1.6319 1.6319 3.4843 3.4843 4.9498 4.9498 4.9779 4.9779 4.9962 4.9962 5.5488 5.5488 5.6044 5.6044 5.6184 5.6184 5.7636 5.7636 5.8656 5.8656 6.4013 6.4013 k = 0.0000 0.1167-0.0000 ( 5550 PWs) bands (ev): -24.2831 -24.2831 -18.1584 -18.1584 -17.8852 -17.8852 -17.8721 -17.8721 -15.9095 -15.9095 -15.8924 -15.8924 -15.8921 -15.8921 -8.0041 -8.0041 -7.7869 -7.7869 -7.7237 -7.7237 -7.5918 -7.5918 -7.5610 -7.5610 -7.2601 -7.2601 -3.2952 -3.2952 -3.2613 -3.2613 -2.7887 -2.7887 -2.6446 -2.6446 -2.6261 -2.6261 -2.6153 -2.6153 -2.6070 -2.6070 -2.5415 -2.5415 -2.2364 -2.2364 -2.1801 -2.1801 -2.1191 -2.1191 -1.1036 -1.1036 -1.0879 -1.0879 -1.0617 -1.0617 1.1974 1.1974 1.2112 1.2112 1.2215 1.2215 1.6019 1.6019 1.6062 1.6062 1.6281 1.6281 3.5185 3.5185 4.9494 4.9494 4.9826 4.9826 5.0062 5.0062 5.5308 5.5308 5.6026 5.6026 5.6214 5.6214 5.7627 5.7627 5.8974 5.8974 6.4270 6.4270 k = 0.0000 0.1333-0.0000 ( 5546 PWs) bands (ev): -24.2831 -24.2831 -18.1553 -18.1553 -17.8876 -17.8876 -17.8707 -17.8707 -15.9144 -15.9144 -15.8925 -15.8925 -15.8920 -15.8920 -8.0099 -8.0099 -7.7970 -7.7970 -7.7238 -7.7238 -7.5827 -7.5827 -7.5452 -7.5452 -7.2439 -7.2439 -3.3055 -3.3055 -3.2613 -3.2613 -2.8256 -2.8256 -2.6528 -2.6528 -2.6360 -2.6360 -2.6193 -2.6193 -2.6091 -2.6091 -2.5416 -2.5416 -2.2404 -2.2404 -2.1673 -2.1673 -2.0932 -2.0932 -1.1132 -1.1132 -1.0956 -1.0956 -1.0621 -1.0621 1.1965 1.1965 1.2140 1.2140 1.2269 1.2269 1.5967 1.5967 1.6022 1.6022 1.6239 1.6239 3.5570 3.5570 4.9488 4.9488 4.9881 4.9881 5.0178 5.0178 5.5113 5.5113 5.6004 5.6004 5.6249 5.6249 5.7613 5.7613 5.9317 5.9317 6.4567 6.4567 k = 0.0000 0.1500-0.0000 ( 5538 PWs) bands (ev): -24.2830 -24.2830 -18.1519 -18.1519 -17.8903 -17.8903 -17.8691 -17.8691 -15.9199 -15.9199 -15.8925 -15.8925 -15.8920 -15.8920 -8.0165 -8.0165 -7.8064 -7.8064 -7.7239 -7.7239 -7.5744 -7.5744 -7.5282 -7.5282 -7.2253 -7.2253 -3.3170 -3.3170 -3.2612 -3.2612 -2.8651 -2.8651 -2.6733 -2.6733 -2.6422 -2.6422 -2.6196 -2.6196 -2.6079 -2.6079 -2.5416 -2.5416 -2.2448 -2.2448 -2.1530 -2.1530 -2.0660 -2.0660 -1.1246 -1.1246 -1.1039 -1.1039 -1.0624 -1.0624 1.1954 1.1954 1.2172 1.2172 1.2329 1.2329 1.5911 1.5911 1.5978 1.5978 1.6193 1.6193 3.5995 3.5995 4.9483 4.9483 4.9942 4.9942 5.0308 5.0308 5.4906 5.4906 5.5980 5.5980 5.6289 5.6289 5.7592 5.7592 5.9681 5.9681 6.4904 6.4904 k = 0.0000 0.1667-0.0000 ( 5538 PWs) bands (ev): -24.2829 -24.2829 -18.1482 -18.1482 -17.8933 -17.8933 -17.8673 -17.8673 -15.9258 -15.9258 -15.8925 -15.8925 -15.8919 -15.8919 -8.0236 -8.0236 -7.8148 -7.8148 -7.7240 -7.7240 -7.5671 -7.5671 -7.5101 -7.5101 -7.2046 -7.2046 -3.3299 -3.3299 -3.2613 -3.2613 -2.9074 -2.9074 -2.6990 -2.6990 -2.6447 -2.6447 -2.6192 -2.6192 -2.6063 -2.6063 -2.5416 -2.5416 -2.2496 -2.2496 -2.1373 -2.1373 -2.0380 -2.0380 -1.1376 -1.1376 -1.1128 -1.1128 -1.0626 -1.0626 1.1941 1.1941 1.2207 1.2207 1.2393 1.2393 1.5850 1.5850 1.5930 1.5930 1.6144 1.6144 3.6456 3.6456 4.9481 4.9481 5.0008 5.0008 5.0451 5.0451 5.4687 5.4687 5.5951 5.5951 5.6332 5.6332 5.7564 5.7564 6.0056 6.0056 6.5282 6.5282 k = 0.0000 0.1833-0.0000 ( 5538 PWs) bands (ev): -24.2829 -24.2829 -18.1441 -18.1441 -17.8966 -17.8966 -17.8654 -17.8654 -15.9320 -15.9320 -15.8926 -15.8926 -15.8918 -15.8918 -8.0313 -8.0313 -7.8224 -7.8224 -7.7241 -7.7241 -7.5607 -7.5607 -7.4910 -7.4910 -7.1817 -7.1817 -3.3439 -3.3439 -3.2613 -3.2613 -2.9526 -2.9526 -2.7252 -2.7252 -2.6462 -2.6462 -2.6187 -2.6187 -2.6046 -2.6046 -2.5416 -2.5416 -2.2548 -2.2548 -2.1205 -2.1205 -2.0094 -2.0094 -1.1520 -1.1520 -1.1223 -1.1223 -1.0626 -1.0626 1.1927 1.1927 1.2244 1.2244 1.2462 1.2462 1.5786 1.5786 1.5878 1.5878 1.6093 1.6093 3.6949 3.6949 4.9485 4.9485 5.0078 5.0078 5.0605 5.0605 5.4459 5.4459 5.5919 5.5919 5.6379 5.6379 5.7526 5.7526 6.0438 6.0438 6.5701 6.5701 k = 0.0000 0.2000-0.0000 ( 5542 PWs) bands (ev): -24.2828 -24.2828 -18.1397 -18.1397 -17.9001 -17.9001 -17.8634 -17.8634 -15.9386 -15.9386 -15.8926 -15.8926 -15.8917 -15.8917 -8.0394 -8.0394 -7.8292 -7.8292 -7.7243 -7.7243 -7.5553 -7.5553 -7.4712 -7.4712 -7.1568 -7.1568 -3.3592 -3.3592 -3.2615 -3.2615 -3.0005 -3.0005 -2.7507 -2.7507 -2.6473 -2.6473 -2.6183 -2.6183 -2.6027 -2.6027 -2.5417 -2.5417 -2.2604 -2.2604 -2.1025 -2.1025 -1.9805 -1.9805 -1.1678 -1.1678 -1.1326 -1.1326 -1.0627 -1.0627 1.1911 1.1911 1.2285 1.2285 1.2534 1.2534 1.5719 1.5719 1.5824 1.5824 1.6039 1.6039 3.7468 3.7468 4.9496 4.9496 5.0150 5.0150 5.0771 5.0771 5.4222 5.4222 5.5882 5.5882 5.6428 5.6428 5.7479 5.7479 6.0820 6.0820 6.6160 6.6160 k = 0.0000 0.2167-0.0000 ( 5538 PWs) bands (ev): -24.2828 -24.2828 -18.1350 -18.1350 -17.9039 -17.9039 -17.8614 -17.8614 -15.9454 -15.9454 -15.8927 -15.8927 -15.8917 -15.8917 -8.0478 -8.0478 -7.8352 -7.8352 -7.7244 -7.7244 -7.5508 -7.5508 -7.4510 -7.4510 -7.1301 -7.1301 -3.3755 -3.3755 -3.2617 -3.2617 -3.0509 -3.0509 -2.7748 -2.7748 -2.6478 -2.6478 -2.6179 -2.6179 -2.6008 -2.6008 -2.5416 -2.5416 -2.2662 -2.2662 -2.0835 -2.0835 -1.9514 -1.9514 -1.1848 -1.1848 -1.1436 -1.1436 -1.0626 -1.0626 1.1894 1.1894 1.2329 1.2329 1.2609 1.2609 1.5651 1.5651 1.5768 1.5768 1.5984 1.5984 3.8010 3.8010 4.9518 4.9518 5.0223 5.0223 5.0945 5.0945 5.3979 5.3979 5.5841 5.5841 5.6481 5.6481 5.7421 5.7421 6.1195 6.1195 6.6656 6.6656 k = 0.0000 0.2333-0.0000 ( 5538 PWs) bands (ev): -24.2827 -24.2827 -18.1301 -18.1301 -17.9080 -17.9080 -17.8592 -17.8592 -15.9523 -15.9523 -15.8927 -15.8927 -15.8916 -15.8916 -8.0564 -8.0564 -7.8404 -7.8404 -7.7245 -7.7245 -7.5470 -7.5470 -7.4308 -7.4308 -7.1016 -7.1016 -3.3929 -3.3929 -3.2621 -3.2621 -3.1032 -3.1032 -2.7969 -2.7969 -2.6481 -2.6481 -2.6176 -2.6176 -2.5987 -2.5987 -2.5415 -2.5415 -2.2723 -2.2723 -2.0635 -2.0635 -1.9222 -1.9222 -1.2028 -1.2028 -1.1554 -1.1554 -1.0625 -1.0625 1.1876 1.1876 1.2374 1.2374 1.2685 1.2685 1.5581 1.5581 1.5710 1.5710 1.5927 1.5927 3.8568 3.8568 4.9550 4.9550 5.0297 5.0297 5.1126 5.1126 5.3731 5.3731 5.5795 5.5795 5.6535 5.6535 5.7353 5.7353 6.1561 6.1561 6.7187 6.7187 k = 0.0000 0.2500-0.0000 ( 5530 PWs) bands (ev): -24.2826 -24.2826 -18.1249 -18.1249 -17.9123 -17.9123 -17.8571 -17.8571 -15.9593 -15.9593 -15.8928 -15.8928 -15.8915 -15.8915 -8.0650 -8.0650 -7.8450 -7.8450 -7.7247 -7.7247 -7.5439 -7.5439 -7.4107 -7.4107 -7.0716 -7.0716 -3.4114 -3.4114 -3.2629 -3.2629 -3.1563 -3.1563 -2.8171 -2.8171 -2.6480 -2.6480 -2.6175 -2.6175 -2.5965 -2.5965 -2.5414 -2.5414 -2.2786 -2.2786 -2.0426 -2.0426 -1.8931 -1.8931 -1.2219 -1.2219 -1.1679 -1.1679 -1.0623 -1.0623 1.1857 1.1857 1.2422 1.2422 1.2762 1.2762 1.5512 1.5512 1.5652 1.5652 1.5869 1.5869 3.9137 3.9137 4.9597 4.9597 5.0370 5.0370 5.1315 5.1315 5.3480 5.3480 5.5744 5.5744 5.6591 5.6591 5.7272 5.7272 6.1913 6.1913 6.7747 6.7747 k = 0.0000 0.2667-0.0000 ( 5550 PWs) bands (ev): -24.2826 -24.2826 -18.1195 -18.1195 -17.9168 -17.9168 -17.8549 -17.8549 -15.9664 -15.9664 -15.8928 -15.8928 -15.8914 -15.8914 -8.0736 -8.0736 -7.8491 -7.8491 -7.7248 -7.7248 -7.5413 -7.5413 -7.3911 -7.3911 -7.0404 -7.0404 -3.4311 -3.4311 -3.2653 -3.2653 -3.2083 -3.2083 -2.8354 -2.8354 -2.6477 -2.6477 -2.6174 -2.6174 -2.5944 -2.5944 -2.5413 -2.5413 -2.2851 -2.2851 -2.0210 -2.0210 -1.8642 -1.8642 -1.2419 -1.2419 -1.1813 -1.1813 -1.0622 -1.0622 1.1836 1.1836 1.2471 1.2471 1.2839 1.2839 1.5443 1.5443 1.5594 1.5594 1.5810 1.5810 3.9712 3.9712 4.9658 4.9658 5.0442 5.0442 5.1508 5.1508 5.3226 5.3226 5.5688 5.5688 5.6647 5.6647 5.7178 5.7178 6.2249 6.2249 6.8330 6.8330 k = 0.0000 0.2833-0.0000 ( 5558 PWs) bands (ev): -24.2825 -24.2825 -18.1139 -18.1139 -17.9215 -17.9215 -17.8527 -17.8527 -15.9733 -15.9733 -15.8928 -15.8928 -15.8913 -15.8913 -8.0819 -8.0819 -7.8526 -7.8526 -7.7249 -7.7249 -7.5392 -7.5392 -7.3722 -7.3722 -7.0083 -7.0083 -3.4521 -3.4521 -3.2791 -3.2791 -3.2479 -3.2479 -2.8518 -2.8518 -2.6472 -2.6472 -2.6175 -2.6175 -2.5921 -2.5921 -2.5412 -2.5412 -2.2916 -2.2916 -1.9988 -1.9988 -1.8354 -1.8354 -1.2627 -1.2627 -1.1953 -1.1953 -1.0620 -1.0620 1.1815 1.1815 1.2522 1.2522 1.2915 1.2915 1.5376 1.5376 1.5537 1.5537 1.5751 1.5751 4.0287 4.0287 4.9735 4.9735 5.0512 5.0512 5.1705 5.1705 5.2973 5.2973 5.5626 5.5626 5.6704 5.6704 5.7072 5.7072 6.2568 6.2568 6.8928 6.8928 k = 0.0000 0.3000-0.0000 ( 5554 PWs) bands (ev): -24.2824 -24.2824 -18.1081 -18.1081 -17.9264 -17.9264 -17.8506 -17.8506 -15.9801 -15.9801 -15.8929 -15.8929 -15.8912 -15.8912 -8.0900 -8.0900 -7.8556 -7.8556 -7.7250 -7.7250 -7.5375 -7.5375 -7.3542 -7.3542 -6.9756 -6.9756 -3.4753 -3.4753 -3.3210 -3.3210 -3.2571 -3.2571 -2.8664 -2.8664 -2.6463 -2.6463 -2.6176 -2.6176 -2.5899 -2.5899 -2.5411 -2.5411 -2.2981 -2.2981 -1.9759 -1.9759 -1.8069 -1.8069 -1.2842 -1.2842 -1.2100 -1.2100 -1.0617 -1.0617 1.1794 1.1794 1.2573 1.2573 1.2989 1.2989 1.5312 1.5312 1.5481 1.5481 1.5693 1.5693 4.0856 4.0856 4.9829 4.9829 5.0579 5.0579 5.1903 5.1903 5.2721 5.2721 5.5558 5.5558 5.6758 5.6758 5.6955 5.6955 6.2868 6.2868 6.9533 6.9533 k = 0.0000 0.3167-0.0000 ( 5554 PWs) bands (ev): -24.2824 -24.2824 -18.1023 -18.1023 -17.9314 -17.9314 -17.8485 -17.8485 -15.9867 -15.9867 -15.8929 -15.8929 -15.8912 -15.8912 -8.0977 -8.0977 -7.8582 -7.8582 -7.7251 -7.7251 -7.5361 -7.5361 -7.3372 -7.3372 -6.9427 -6.9427 -3.5015 -3.5015 -3.3658 -3.3658 -3.2590 -3.2590 -2.8792 -2.8792 -2.6453 -2.6453 -2.6178 -2.6178 -2.5876 -2.5876 -2.5409 -2.5409 -2.3045 -2.3045 -1.9527 -1.9527 -1.7788 -1.7788 -1.3063 -1.3063 -1.2254 -1.2254 -1.0615 -1.0615 1.1772 1.1772 1.2624 1.2624 1.3061 1.3061 1.5251 1.5251 1.5426 1.5426 1.5635 1.5635 4.1411 4.1411 4.9942 4.9942 5.0643 5.0643 5.2100 5.2100 5.2476 5.2476 5.5483 5.5483 5.6783 5.6783 5.6853 5.6853 6.3150 6.3150 7.0137 7.0137 k = 0.0000 0.3333-0.0000 ( 5554 PWs) bands (ev): -24.2823 -24.2823 -18.0963 -18.0963 -17.9365 -17.9365 -17.8465 -17.8465 -15.9930 -15.9930 -15.8930 -15.8930 -15.8911 -15.8911 -8.1049 -8.1049 -7.8605 -7.8605 -7.7252 -7.7252 -7.5350 -7.5350 -7.3213 -7.3213 -6.9101 -6.9101 -3.5319 -3.5319 -3.4053 -3.4053 -3.2598 -3.2598 -2.8905 -2.8905 -2.6441 -2.6441 -2.6180 -2.6180 -2.5854 -2.5854 -2.5408 -2.5408 -2.3108 -2.3108 -1.9291 -1.9291 -1.7511 -1.7511 -1.3289 -1.3289 -1.2414 -1.2414 -1.0613 -1.0613 1.1751 1.1751 1.2675 1.2675 1.3129 1.3129 1.5193 1.5193 1.5374 1.5374 1.5578 1.5578 4.1948 4.1948 5.0073 5.0073 5.0702 5.0702 5.2194 5.2194 5.2338 5.2338 5.5403 5.5403 5.6665 5.6665 5.6880 5.6880 6.3413 6.3413 7.0730 7.0730 k = 0.0000 0.3500-0.0000 ( 5554 PWs) bands (ev): -24.2823 -24.2823 -18.0904 -18.0904 -17.9417 -17.9417 -17.8446 -17.8446 -15.9990 -15.9990 -15.8930 -15.8930 -15.8910 -15.8910 -8.1117 -8.1117 -7.8625 -7.8625 -7.7253 -7.7253 -7.5341 -7.5341 -7.3067 -7.3067 -6.8783 -6.8783 -3.5667 -3.5667 -3.4375 -3.4375 -3.2603 -3.2603 -2.9004 -2.9004 -2.6428 -2.6428 -2.6183 -2.6183 -2.5833 -2.5833 -2.5406 -2.5406 -2.3168 -2.3168 -1.9053 -1.9053 -1.7239 -1.7239 -1.3518 -1.3518 -1.2579 -1.2579 -1.0610 -1.0610 1.1730 1.1730 1.2725 1.2725 1.3193 1.3193 1.5140 1.5140 1.5324 1.5324 1.5525 1.5525 4.2459 4.2459 5.0222 5.0222 5.0758 5.0758 5.1978 5.1978 5.2518 5.2518 5.5316 5.5316 5.6511 5.6511 5.6929 5.6929 6.3655 6.3655 7.1302 7.1302 k = 0.0000 0.3667-0.0000 ( 5554 PWs) bands (ev): -24.2822 -24.2822 -18.0845 -18.0845 -17.9469 -17.9469 -17.8428 -17.8428 -16.0045 -16.0045 -15.8930 -15.8930 -15.8909 -15.8909 -8.1178 -8.1178 -7.8642 -7.8642 -7.7254 -7.7254 -7.5334 -7.5334 -7.2935 -7.2935 -6.8477 -6.8477 -3.6045 -3.6045 -3.4628 -3.4628 -3.2607 -3.2607 -2.9090 -2.9090 -2.6415 -2.6415 -2.6186 -2.6186 -2.5812 -2.5812 -2.5404 -2.5404 -2.3226 -2.3226 -1.8816 -1.8816 -1.6973 -1.6973 -1.3749 -1.3749 -1.2749 -1.2749 -1.0608 -1.0608 1.1711 1.1711 1.2773 1.2773 1.3252 1.3252 1.5092 1.5092 1.5278 1.5278 1.5474 1.5474 4.2938 4.2938 5.0386 5.0386 5.0809 5.0809 5.1753 5.1753 5.2715 5.2715 5.5222 5.5222 5.6345 5.6345 5.6977 5.6977 6.3877 6.3877 7.1846 7.1846 k = 0.0000 0.3833-0.0000 ( 5546 PWs) bands (ev): -24.2822 -24.2822 -18.0787 -18.0787 -17.9521 -17.9521 -17.8412 -17.8412 -16.0095 -16.0095 -15.8931 -15.8931 -15.8909 -15.8909 -8.1233 -8.1233 -7.8656 -7.8656 -7.7255 -7.7255 -7.5328 -7.5328 -7.2817 -7.2817 -6.8190 -6.8190 -3.6429 -3.6429 -3.4827 -3.4827 -3.2610 -3.2610 -2.9163 -2.9163 -2.6401 -2.6401 -2.6189 -2.6189 -2.5793 -2.5793 -2.5403 -2.5403 -2.3280 -2.3280 -1.8581 -1.8581 -1.6714 -1.6714 -1.3979 -1.3979 -1.2921 -1.2921 -1.0606 -1.0606 1.1692 1.1692 1.2819 1.2819 1.3306 1.3306 1.5049 1.5049 1.5234 1.5234 1.5427 1.5427 4.3379 4.3379 5.0562 5.0562 5.0856 5.0856 5.1540 5.1540 5.2910 5.2910 5.5121 5.5121 5.6171 5.6171 5.7021 5.7021 6.4077 6.4077 7.2351 7.2351 k = 0.0000 0.4000-0.0000 ( 5530 PWs) bands (ev): -24.2821 -24.2821 -18.0731 -18.0731 -17.9571 -17.9571 -17.8398 -17.8398 -16.0139 -16.0139 -15.8931 -15.8931 -15.8908 -15.8908 -8.1282 -8.1282 -7.8668 -7.8668 -7.7255 -7.7255 -7.5324 -7.5324 -7.2714 -7.2714 -6.7926 -6.7926 -3.6794 -3.6794 -3.4986 -3.4986 -3.2612 -3.2612 -2.9224 -2.9224 -2.6387 -2.6387 -2.6192 -2.6192 -2.5775 -2.5775 -2.5400 -2.5400 -2.3328 -2.3328 -1.8351 -1.8351 -1.6465 -1.6465 -1.4205 -1.4205 -1.3095 -1.3095 -1.0603 -1.0603 1.1675 1.1675 1.2861 1.2861 1.3354 1.3354 1.5011 1.5011 1.5195 1.5195 1.5385 1.5385 4.3777 4.3777 5.0739 5.0739 5.0903 5.0903 5.1344 5.1344 5.3102 5.3102 5.5013 5.5013 5.5994 5.5994 5.7061 5.7061 6.4254 6.4254 7.2809 7.2809 k = 0.0000 0.4167-0.0000 ( 5526 PWs) bands (ev): -24.2821 -24.2821 -18.0679 -18.0679 -17.9618 -17.9618 -17.8385 -17.8385 -16.0178 -16.0178 -15.8931 -15.8931 -15.8908 -15.8908 -8.1324 -8.1324 -7.8678 -7.8678 -7.7256 -7.7256 -7.5320 -7.5320 -7.2626 -7.2626 -6.7692 -6.7692 -3.7127 -3.7127 -3.5113 -3.5113 -3.2614 -3.2614 -2.9275 -2.9275 -2.6374 -2.6374 -2.6195 -2.6195 -2.5759 -2.5759 -2.5399 -2.5399 -2.3371 -2.3371 -1.8132 -1.8132 -1.6227 -1.6227 -1.4424 -1.4424 -1.3267 -1.3267 -1.0602 -1.0602 1.1660 1.1660 1.2899 1.2899 1.3395 1.3395 1.4979 1.4979 1.5159 1.5159 1.5348 1.5348 4.4125 4.4125 5.0868 5.0868 5.0983 5.0983 5.1179 5.1179 5.3290 5.3290 5.4899 5.4899 5.5818 5.5818 5.7095 5.7095 6.4406 6.4406 7.3212 7.3212 k = 0.0000 0.4333-0.0000 ( 5526 PWs) bands (ev): -24.2820 -24.2820 -18.0631 -18.0631 -17.9662 -17.9662 -17.8375 -17.8375 -16.0210 -16.0210 -15.8931 -15.8931 -15.8907 -15.8907 -8.1358 -8.1358 -7.8686 -7.8686 -7.7256 -7.7256 -7.5318 -7.5318 -7.2554 -7.2554 -6.7492 -6.7492 -3.7413 -3.7413 -3.5215 -3.5215 -3.2616 -3.2616 -2.9316 -2.9316 -2.6363 -2.6363 -2.6199 -2.6199 -2.5746 -2.5746 -2.5397 -2.5397 -2.3408 -2.3408 -1.7928 -1.7928 -1.6006 -1.6006 -1.4630 -1.4630 -1.3433 -1.3433 -1.0600 -1.0600 1.1648 1.1648 1.2932 1.2932 1.3429 1.3429 1.4952 1.4952 1.5129 1.5129 1.5318 1.5318 4.4419 4.4419 5.0893 5.0893 5.1018 5.1018 5.1174 5.1174 5.3471 5.3471 5.4778 5.4778 5.5651 5.5651 5.7125 5.7125 6.4533 6.4533 7.3552 7.3552 k = 0.0000 0.4500-0.0000 ( 5530 PWs) bands (ev): -24.2820 -24.2820 -18.0591 -18.0591 -17.9699 -17.9699 -17.8366 -17.8366 -16.0236 -16.0236 -15.8932 -15.8932 -15.8907 -15.8907 -8.1386 -8.1386 -7.8692 -7.8692 -7.7257 -7.7257 -7.5316 -7.5316 -7.2498 -7.2498 -6.7331 -6.7331 -3.7644 -3.7644 -3.5292 -3.5292 -3.2617 -3.2617 -2.9347 -2.9347 -2.6353 -2.6353 -2.6202 -2.6202 -2.5735 -2.5735 -2.5396 -2.5396 -2.3437 -2.3437 -1.7748 -1.7748 -1.5804 -1.5804 -1.4817 -1.4817 -1.3584 -1.3584 -1.0599 -1.0599 1.1637 1.1637 1.2958 1.2958 1.3456 1.3456 1.4932 1.4932 1.5104 1.5104 1.5293 1.5293 4.4654 4.4654 5.0828 5.0828 5.0992 5.0992 5.1323 5.1323 5.3644 5.3644 5.4653 5.4653 5.5502 5.5502 5.7148 5.7148 6.4633 6.4633 7.3824 7.3824 k = 0.0000 0.4667-0.0000 ( 5522 PWs) bands (ev): -24.2820 -24.2820 -18.0559 -18.0559 -17.9729 -17.9729 -17.8360 -17.8360 -16.0254 -16.0254 -15.8932 -15.8932 -15.8907 -15.8907 -8.1405 -8.1405 -7.8696 -7.8696 -7.7257 -7.7257 -7.5314 -7.5314 -7.2457 -7.2457 -6.7213 -6.7213 -3.7813 -3.7813 -3.5346 -3.5346 -3.2618 -3.2618 -2.9369 -2.9369 -2.6345 -2.6345 -2.6204 -2.6204 -2.5727 -2.5727 -2.5395 -2.5395 -2.3459 -2.3459 -1.7605 -1.7605 -1.5632 -1.5632 -1.4976 -1.4976 -1.3711 -1.3711 -1.0598 -1.0598 1.1630 1.1630 1.2978 1.2978 1.3476 1.3476 1.4918 1.4918 1.5086 1.5086 1.5276 1.5276 4.4825 4.4825 5.0745 5.0745 5.0999 5.0999 5.1452 5.1452 5.3805 5.3805 5.4527 5.4527 5.5383 5.5383 5.7165 5.7165 6.4705 6.4705 7.4022 7.4022 k = 0.0000 0.4833-0.0000 ( 5534 PWs) bands (ev): -24.2820 -24.2820 -18.0539 -18.0539 -17.9747 -17.9747 -17.8357 -17.8357 -16.0265 -16.0265 -15.8932 -15.8932 -15.8907 -15.8907 -8.1417 -8.1417 -7.8698 -7.8698 -7.7257 -7.7257 -7.5314 -7.5314 -7.2433 -7.2433 -6.7141 -6.7141 -3.7917 -3.7917 -3.5379 -3.5379 -3.2619 -3.2619 -2.9383 -2.9383 -2.6341 -2.6341 -2.6205 -2.6205 -2.5722 -2.5722 -2.5395 -2.5395 -2.3472 -2.3472 -1.7510 -1.7510 -1.5502 -1.5502 -1.5097 -1.5097 -1.3798 -1.3798 -1.0597 -1.0597 1.1625 1.1625 1.2990 1.2990 1.3488 1.3488 1.4909 1.4909 1.5074 1.5074 1.5266 1.5266 4.4929 4.4929 5.0689 5.0689 5.1006 5.1006 5.1538 5.1538 5.3941 5.3941 5.4411 5.4411 5.5305 5.5305 5.7175 5.7175 6.4749 6.4749 7.4142 7.4142 k = 0.0000 0.5000-0.0000 ( 5542 PWs) bands (ev): -24.2820 -24.2820 -18.0532 -18.0532 -17.9754 -17.9754 -17.8355 -17.8355 -16.0269 -16.0269 -15.8932 -15.8932 -15.8907 -15.8907 -8.1421 -8.1421 -7.8699 -7.8699 -7.7257 -7.7257 -7.5313 -7.5313 -7.2425 -7.2425 -6.7117 -6.7117 -3.7952 -3.7952 -3.5391 -3.5391 -3.2619 -3.2619 -2.9387 -2.9387 -2.6340 -2.6340 -2.6206 -2.6206 -2.5720 -2.5720 -2.5395 -2.5395 -2.3476 -2.3476 -1.7477 -1.7477 -1.5446 -1.5446 -1.5148 -1.5148 -1.3829 -1.3829 -1.0597 -1.0597 1.1624 1.1624 1.2994 1.2994 1.3492 1.3492 1.4906 1.4906 1.5070 1.5070 1.5262 1.5262 4.4965 4.4965 5.0670 5.0670 5.1008 5.1008 5.1568 5.1568 5.4005 5.4005 5.4354 5.4354 5.5278 5.5278 5.7178 5.7178 6.4764 6.4764 7.4182 7.4182 k = 0.0000 0.5000-0.0000 ( 5542 PWs) bands (ev): -24.2820 -24.2820 -18.0532 -18.0532 -17.9754 -17.9754 -17.8355 -17.8355 -16.0269 -16.0269 -15.8932 -15.8932 -15.8907 -15.8907 -8.1421 -8.1421 -7.8699 -7.8699 -7.7257 -7.7257 -7.5313 -7.5313 -7.2425 -7.2425 -6.7117 -6.7117 -3.7952 -3.7952 -3.5391 -3.5391 -3.2619 -3.2619 -2.9387 -2.9387 -2.6340 -2.6340 -2.6206 -2.6206 -2.5720 -2.5720 -2.5395 -2.5395 -2.3476 -2.3476 -1.7477 -1.7477 -1.5446 -1.5446 -1.5148 -1.5148 -1.3829 -1.3829 -1.0597 -1.0597 1.1624 1.1624 1.2994 1.2994 1.3492 1.3492 1.4906 1.4906 1.5070 1.5070 1.5262 1.5262 4.4965 4.4965 5.0670 5.0670 5.1008 5.1008 5.1568 5.1568 5.4005 5.4005 5.4354 5.4354 5.5278 5.5278 5.7178 5.7178 6.4764 6.4764 7.4182 7.4182 k = 0.0167 0.5000-0.0000 ( 5540 PWs) bands (ev): -24.2820 -24.2820 -18.0529 -18.0529 -17.9754 -17.9754 -17.8356 -17.8356 -16.0269 -16.0269 -15.8932 -15.8932 -15.8911 -15.8911 -8.1414 -8.1414 -7.8705 -7.8705 -7.7270 -7.7270 -7.5291 -7.5291 -7.2419 -7.2419 -6.7117 -6.7117 -3.7955 -3.7955 -3.5391 -3.5391 -3.2624 -3.2624 -2.9386 -2.9386 -2.6342 -2.6342 -2.6250 -2.6250 -2.5720 -2.5720 -2.5394 -2.5394 -2.3464 -2.3464 -1.7527 -1.7527 -1.5443 -1.5443 -1.5136 -1.5136 -1.3770 -1.3770 -1.0605 -1.0605 1.1606 1.1606 1.3014 1.3014 1.3482 1.3482 1.4901 1.4901 1.5068 1.5068 1.5256 1.5256 4.4979 4.4979 5.0679 5.0679 5.1016 5.1016 5.1579 5.1579 5.4001 5.4001 5.4362 5.4362 5.5286 5.5286 5.7177 5.7177 6.4782 6.4782 7.4181 7.4181 k = 0.0333 0.5000-0.0000 ( 5528 PWs) bands (ev): -24.2820 -24.2820 -18.0522 -18.0522 -17.9754 -17.9754 -17.8358 -17.8358 -16.0270 -16.0270 -15.8932 -15.8932 -15.8922 -15.8922 -8.1393 -8.1393 -7.8721 -7.8721 -7.7305 -7.7305 -7.5226 -7.5226 -7.2402 -7.2402 -6.7115 -6.7115 -3.7964 -3.7964 -3.5393 -3.5393 -3.2639 -3.2639 -2.9381 -2.9381 -2.6375 -2.6375 -2.6345 -2.6345 -2.5722 -2.5722 -2.5399 -2.5399 -2.3428 -2.3428 -1.7665 -1.7665 -1.5433 -1.5433 -1.5103 -1.5103 -1.3598 -1.3598 -1.0628 -1.0628 1.1556 1.1556 1.3072 1.3072 1.3453 1.3453 1.4888 1.4888 1.5055 1.5055 1.5240 1.5240 4.5022 4.5022 5.0707 5.0707 5.1039 5.1039 5.1612 5.1612 5.3986 5.3986 5.4385 5.4385 5.5310 5.5310 5.7173 5.7173 6.4838 6.4838 7.4178 7.4178 k = 0.0500 0.5000-0.0000 ( 5532 PWs) bands (ev): -24.2819 -24.2819 -18.0510 -18.0510 -17.9754 -17.9754 -17.8361 -17.8361 -16.0272 -16.0272 -15.8942 -15.8942 -15.8931 -15.8931 -8.1359 -8.1359 -7.8748 -7.8748 -7.7357 -7.7357 -7.5125 -7.5125 -7.2373 -7.2373 -6.7112 -6.7112 -3.7979 -3.7979 -3.5395 -3.5395 -3.2664 -3.2664 -2.9374 -2.9374 -2.6563 -2.6563 -2.6354 -2.6354 -2.5725 -2.5725 -2.5422 -2.5422 -2.3368 -2.3368 -1.7863 -1.7863 -1.5418 -1.5418 -1.5061 -1.5061 -1.3332 -1.3332 -1.0667 -1.0667 1.1481 1.1481 1.3161 1.3161 1.3406 1.3406 1.4868 1.4868 1.5022 1.5022 1.5226 1.5226 4.5093 4.5093 5.0752 5.0752 5.1078 5.1078 5.1666 5.1666 5.3963 5.3963 5.4425 5.4425 5.5349 5.5349 5.7166 5.7166 6.4930 6.4930 7.4173 7.4173 k = 0.0667 0.5000-0.0000 ( 5538 PWs) bands (ev): -24.2819 -24.2819 -18.0493 -18.0493 -17.9753 -17.9753 -17.8365 -17.8365 -16.0274 -16.0274 -15.8968 -15.8968 -15.8931 -15.8931 -8.1314 -8.1314 -7.8786 -7.8786 -7.7418 -7.7418 -7.4994 -7.4994 -7.2332 -7.2332 -6.7107 -6.7107 -3.8000 -3.8000 -3.5399 -3.5399 -3.2700 -3.2700 -2.9365 -2.9365 -2.6802 -2.6802 -2.6365 -2.6365 -2.5732 -2.5732 -2.5472 -2.5472 -2.3288 -2.3288 -1.8093 -1.8093 -1.5396 -1.5396 -1.5016 -1.5016 -1.2994 -1.2994 -1.0721 -1.0721 1.1388 1.1388 1.3269 1.3269 1.3343 1.3343 1.4839 1.4839 1.4962 1.4962 1.5220 1.5220 4.5190 4.5190 5.0815 5.0815 5.1131 5.1131 5.1738 5.1738 5.3930 5.3930 5.4484 5.4484 5.5403 5.5403 5.7155 5.7155 6.5058 6.5058 7.4166 7.4166 k = 0.0833 0.5000-0.0000 ( 5530 PWs) bands (ev): -24.2819 -24.2819 -18.0472 -18.0472 -17.9753 -17.9753 -17.8370 -17.8370 -16.0277 -16.0277 -15.9002 -15.9002 -15.8931 -15.8931 -8.1259 -8.1259 -7.8833 -7.8833 -7.7480 -7.7480 -7.4842 -7.4842 -7.2279 -7.2279 -6.7102 -6.7102 -3.8026 -3.8026 -3.5403 -3.5403 -3.2745 -3.2745 -2.9353 -2.9353 -2.7082 -2.7082 -2.6378 -2.6378 -2.5747 -2.5747 -2.5552 -2.5552 -2.3189 -2.3189 -1.8334 -1.8334 -1.5368 -1.5368 -1.4967 -1.4967 -1.2605 -1.2605 -1.0790 -1.0790 1.1285 1.1285 1.3253 1.3253 1.3402 1.3402 1.4792 1.4792 1.4888 1.4888 1.5223 1.5223 4.5313 4.5313 5.0894 5.0894 5.1199 5.1199 5.1824 5.1824 5.3889 5.3889 5.4565 5.4565 5.5472 5.5472 5.7142 5.7142 6.5220 6.5220 7.4158 7.4158 k = 0.1000 0.5000-0.0000 ( 5534 PWs) bands (ev): -24.2819 -24.2819 -18.0446 -18.0446 -17.9752 -17.9752 -17.8376 -17.8376 -16.0280 -16.0280 -15.9043 -15.9043 -15.8930 -15.8930 -8.1197 -8.1197 -7.8888 -7.8888 -7.7539 -7.7539 -7.4674 -7.4674 -7.2214 -7.2214 -6.7096 -6.7096 -3.8057 -3.8057 -3.5409 -3.5409 -3.2801 -3.2801 -2.9338 -2.9338 -2.7397 -2.7397 -2.6394 -2.6394 -2.5791 -2.5791 -2.5641 -2.5641 -2.3074 -2.3074 -1.8570 -1.8570 -1.5334 -1.5334 -1.4915 -1.4915 -1.2182 -1.2182 -1.0873 -1.0873 1.1175 1.1175 1.3155 1.3155 1.3539 1.3539 1.4696 1.4696 1.4834 1.4834 1.5231 1.5231 4.5458 4.5458 5.0988 5.0988 5.1280 5.1280 5.1920 5.1920 5.3840 5.3840 5.4670 5.4670 5.5554 5.5554 5.7126 5.7126 6.5415 6.5415 7.4150 7.4150 k = 0.1167 0.5000-0.0000 ( 5530 PWs) bands (ev): -24.2818 -24.2818 -18.0416 -18.0416 -17.9752 -17.9752 -17.8384 -17.8384 -16.0284 -16.0284 -15.9090 -15.9090 -15.8930 -15.8930 -8.1130 -8.1130 -7.8948 -7.8948 -7.7591 -7.7591 -7.4494 -7.4494 -7.2136 -7.2136 -6.7089 -6.7089 -3.8093 -3.8093 -3.5415 -3.5415 -3.2868 -3.2868 -2.9322 -2.9322 -2.7741 -2.7741 -2.6413 -2.6413 -2.5907 -2.5907 -2.5692 -2.5692 -2.2942 -2.2942 -1.8794 -1.8794 -1.5295 -1.5295 -1.4860 -1.4860 -1.1736 -1.1736 -1.0972 -1.0972 1.1063 1.1063 1.3039 1.3039 1.3684 1.3684 1.4557 1.4557 1.4801 1.4801 1.5241 1.5241 4.5624 4.5624 5.1095 5.1095 5.1376 5.1376 5.2021 5.2021 5.3784 5.3784 5.4804 5.4804 5.5649 5.5649 5.7107 5.7107 6.5639 6.5639 7.4143 7.4143 k = 0.1333 0.5000-0.0000 ( 5528 PWs) bands (ev): -24.2818 -24.2818 -18.0382 -18.0382 -17.9751 -17.9751 -17.8394 -17.8394 -16.0289 -16.0289 -15.9143 -15.9143 -15.8929 -15.8929 -8.1063 -8.1063 -7.9009 -7.9009 -7.7635 -7.7635 -7.4307 -7.4307 -7.2044 -7.2044 -6.7081 -6.7081 -3.8133 -3.8133 -3.5423 -3.5423 -3.2946 -3.2946 -2.9303 -2.9303 -2.8112 -2.8112 -2.6438 -2.6438 -2.6082 -2.6082 -2.5712 -2.5712 -2.2797 -2.2797 -1.8998 -1.8998 -1.5250 -1.5250 -1.4801 -1.4801 -1.1278 -1.1278 -1.1083 -1.1083 1.0950 1.0950 1.2910 1.2910 1.3832 1.3832 1.4393 1.4393 1.4774 1.4774 1.5250 1.5250 4.5809 4.5809 5.1214 5.1214 5.1483 5.1483 5.2123 5.2123 5.3721 5.3721 5.4971 5.4971 5.5755 5.5755 5.7085 5.7085 6.5890 6.5890 7.4138 7.4138 k = 0.1500 0.5000-0.0000 ( 5524 PWs) bands (ev): -24.2817 -24.2817 -18.0344 -18.0344 -17.9750 -17.9750 -17.8404 -17.8404 -16.0293 -16.0293 -15.9201 -15.9201 -15.8928 -15.8928 -8.1001 -8.1001 -7.9066 -7.9066 -7.7669 -7.7669 -7.4115 -7.4115 -7.1939 -7.1939 -6.7073 -6.7073 -3.8176 -3.8176 -3.5432 -3.5432 -3.3034 -3.3034 -2.9284 -2.9284 -2.8505 -2.8505 -2.6491 -2.6491 -2.6267 -2.6267 -2.5723 -2.5723 -2.2640 -2.2640 -1.9181 -1.9181 -1.5201 -1.5201 -1.4737 -1.4737 -1.1210 -1.1210 -1.0810 -1.0810 1.0838 1.0838 1.2769 1.2769 1.3980 1.3980 1.4213 1.4213 1.4751 1.4751 1.5258 1.5258 4.6008 4.6008 5.1344 5.1344 5.1602 5.1602 5.2220 5.2220 5.3653 5.3653 5.5172 5.5172 5.5872 5.5872 5.7059 5.7059 6.6163 6.6163 7.4139 7.4139 k = 0.1667 0.5000-0.0000 ( 5526 PWs) bands (ev): -24.2817 -24.2817 -18.0301 -18.0301 -17.9750 -17.9750 -17.8416 -17.8416 -16.0299 -16.0299 -15.9264 -15.9264 -15.8928 -15.8928 -8.0947 -8.0947 -7.9116 -7.9116 -7.7694 -7.7694 -7.3921 -7.3921 -7.1821 -7.1821 -6.7065 -6.7065 -3.8223 -3.8223 -3.5443 -3.5443 -3.3134 -3.3134 -2.9274 -2.9274 -2.8911 -2.8911 -2.6644 -2.6644 -2.6375 -2.6375 -2.5732 -2.5732 -2.2471 -2.2471 -1.9341 -1.9341 -1.5147 -1.5147 -1.4669 -1.4669 -1.1349 -1.1349 -1.0343 -1.0343 1.0728 1.0728 1.2616 1.2616 1.3995 1.3995 1.4150 1.4150 1.4730 1.4730 1.5264 1.5264 4.6220 4.6220 5.1481 5.1481 5.1732 5.1732 5.2309 5.2309 5.3579 5.3579 5.5411 5.5411 5.5998 5.5998 5.7029 5.7029 6.6452 6.6452 7.4147 7.4147 k = 0.1833 0.5000-0.0000 ( 5526 PWs) bands (ev): -24.2816 -24.2816 -18.0256 -18.0256 -17.9749 -17.9749 -17.8430 -17.8430 -16.0304 -16.0304 -15.9331 -15.9331 -15.8927 -15.8927 -8.0907 -8.0907 -7.9152 -7.9152 -7.7710 -7.7710 -7.3726 -7.3726 -7.1687 -7.1687 -6.7057 -6.7057 -3.8272 -3.8272 -3.5456 -3.5456 -3.3244 -3.3244 -2.9416 -2.9416 -2.9183 -2.9183 -2.6883 -2.6883 -2.6412 -2.6412 -2.5740 -2.5740 -2.2292 -2.2292 -1.9481 -1.9481 -1.5089 -1.5089 -1.4598 -1.4598 -1.1500 -1.1500 -0.9879 -0.9879 1.0622 1.0622 1.2454 1.2454 1.3790 1.3790 1.4293 1.4293 1.4714 1.4714 1.5268 1.5268 4.6442 4.6442 5.1626 5.1626 5.1871 5.1871 5.2388 5.2388 5.3502 5.3502 5.5688 5.5688 5.6132 5.6132 5.6996 5.6996 6.6751 6.6751 7.4165 7.4165 k = 0.2000 0.5000-0.0000 ( 5530 PWs) bands (ev): -24.2816 -24.2816 -18.0207 -18.0207 -17.9748 -17.9748 -17.8446 -17.8446 -16.0310 -16.0310 -15.9401 -15.9401 -15.8926 -15.8926 -8.0885 -8.0885 -7.9172 -7.9172 -7.7718 -7.7718 -7.3533 -7.3533 -7.1540 -7.1540 -6.7049 -6.7049 -3.8322 -3.8322 -3.5470 -3.5470 -3.3365 -3.3365 -2.9845 -2.9845 -2.9185 -2.9185 -2.7147 -2.7147 -2.6430 -2.6430 -2.5747 -2.5747 -2.2104 -2.2104 -1.9600 -1.9600 -1.5027 -1.5027 -1.4524 -1.4524 -1.1663 -1.1663 -0.9421 -0.9421 1.0519 1.0519 1.2286 1.2286 1.3568 1.3568 1.4436 1.4436 1.4704 1.4704 1.5271 1.5271 4.6671 4.6671 5.1774 5.1774 5.2018 5.2018 5.2456 5.2456 5.3422 5.3422 5.6001 5.6001 5.6272 5.6272 5.6960 5.6960 6.7052 6.7052 7.4199 7.4199 k = 0.2167 0.5000-0.0000 ( 5528 PWs) bands (ev): -24.2815 -24.2815 -18.0155 -18.0155 -17.9747 -17.9747 -17.8463 -17.8463 -16.0316 -16.0316 -15.9473 -15.9473 -15.8925 -15.8925 -8.0882 -8.0882 -7.9174 -7.9174 -7.7718 -7.7718 -7.3342 -7.3342 -7.1378 -7.1378 -6.7042 -6.7042 -3.8374 -3.8374 -3.5486 -3.5486 -3.3495 -3.3495 -3.0313 -3.0313 -2.9163 -2.9163 -2.7417 -2.7417 -2.6440 -2.6440 -2.5754 -2.5754 -2.1908 -2.1908 -1.9702 -1.9702 -1.4963 -1.4963 -1.4447 -1.4447 -1.1836 -1.1836 -0.8974 -0.8974 1.0420 1.0420 1.2111 1.2111 1.3338 1.3338 1.4562 1.4562 1.4713 1.4713 1.5271 1.5271 4.6905 4.6905 5.1926 5.1926 5.2172 5.2172 5.2514 5.2514 5.3339 5.3339 5.6344 5.6344 5.6421 5.6421 5.6922 5.6922 6.7345 6.7345 7.4253 7.4253 k = 0.2333 0.5000-0.0000 ( 5540 PWs) bands (ev): -24.2815 -24.2815 -18.0100 -18.0100 -17.9746 -17.9746 -17.8482 -17.8482 -16.0322 -16.0322 -15.9548 -15.9548 -15.8925 -15.8925 -8.0899 -8.0899 -7.9159 -7.9159 -7.7712 -7.7712 -7.3154 -7.3154 -7.1202 -7.1202 -6.7037 -6.7037 -3.8427 -3.8427 -3.5504 -3.5504 -3.3636 -3.3636 -3.0796 -3.0796 -2.9138 -2.9138 -2.7682 -2.7682 -2.6448 -2.6448 -2.5761 -2.5761 -2.1705 -2.1705 -1.9788 -1.9788 -1.4896 -1.4896 -1.4369 -1.4369 -1.2020 -1.2020 -0.8539 -0.8539 1.0326 1.0326 1.1934 1.1934 1.3103 1.3103 1.4623 1.4623 1.4785 1.4785 1.5270 1.5270 4.7140 4.7140 5.2078 5.2078 5.2330 5.2330 5.2564 5.2564 5.3255 5.3255 5.6557 5.6557 5.6725 5.6725 5.6890 5.6890 6.7620 6.7620 7.4332 7.4332 k = 0.2500 0.5000-0.0000 ( 5548 PWs) bands (ev): -24.2814 -24.2814 -18.0042 -18.0042 -17.9745 -17.9745 -17.8503 -17.8503 -16.0328 -16.0328 -15.9623 -15.9623 -15.8924 -15.8924 -8.0932 -8.0932 -7.9130 -7.9130 -7.7698 -7.7698 -7.2972 -7.2972 -7.1013 -7.1013 -6.7033 -6.7033 -3.8480 -3.8480 -3.5524 -3.5524 -3.3787 -3.3787 -3.1287 -3.1287 -2.9111 -2.9111 -2.7936 -2.7936 -2.6452 -2.6452 -2.5768 -2.5768 -2.1497 -2.1497 -1.9859 -1.9859 -1.4828 -1.4828 -1.4290 -1.4290 -1.2212 -1.2212 -0.8120 -0.8120 1.0236 1.0236 1.1755 1.1755 1.2864 1.2864 1.4634 1.4634 1.4905 1.4905 1.5268 1.5268 4.7374 4.7374 5.2228 5.2228 5.2485 5.2485 5.2613 5.2613 5.3172 5.3172 5.6694 5.6694 5.6832 5.6832 5.7159 5.7159 6.7865 6.7865 7.4443 7.4443 k = 0.2667 0.5000-0.0000 ( 5544 PWs) bands (ev): -24.2813 -24.2813 -17.9983 -17.9983 -17.9744 -17.9744 -17.8526 -17.8526 -16.0334 -16.0334 -15.9698 -15.9698 -15.8923 -15.8923 -8.0980 -8.0980 -7.9091 -7.9091 -7.7678 -7.7678 -7.2797 -7.2797 -7.0810 -7.0810 -6.7031 -6.7031 -3.8532 -3.8532 -3.5546 -3.5546 -3.3946 -3.3946 -3.1778 -3.1778 -2.9084 -2.9084 -2.8175 -2.8175 -2.6454 -2.6454 -2.5774 -2.5774 -2.1285 -2.1285 -1.9916 -1.9916 -1.4759 -1.4759 -1.4210 -1.4210 -1.2413 -1.2413 -0.7718 -0.7718 1.0152 1.0152 1.1576 1.1576 1.2626 1.2626 1.4634 1.4634 1.5027 1.5027 1.5269 1.5269 4.7604 4.7604 5.2375 5.2375 5.2590 5.2590 5.2707 5.2707 5.3090 5.3090 5.6737 5.6737 5.6891 5.6891 5.7594 5.7594 6.8069 6.8069 7.4589 7.4589 k = 0.2833 0.5000-0.0000 ( 5528 PWs) bands (ev): -24.2813 -24.2813 -17.9921 -17.9921 -17.9743 -17.9743 -17.8551 -17.8551 -16.0340 -16.0340 -15.9772 -15.9772 -15.8922 -15.8922 -8.1036 -8.1036 -7.9048 -7.9048 -7.7653 -7.7653 -7.2628 -7.2628 -7.0596 -7.0596 -6.7031 -6.7031 -3.8583 -3.8583 -3.5571 -3.5571 -3.4117 -3.4117 -3.2261 -3.2261 -2.9059 -2.9059 -2.8396 -2.8396 -2.6453 -2.6453 -2.5780 -2.5780 -2.1072 -2.1072 -1.9959 -1.9959 -1.4690 -1.4690 -1.4132 -1.4132 -1.2620 -1.2620 -0.7336 -0.7336 1.0073 1.0073 1.1401 1.1401 1.2391 1.2391 1.4635 1.4635 1.5129 1.5129 1.5285 1.5285 4.7829 4.7829 5.2514 5.2514 5.2630 5.2630 5.2865 5.2865 5.3013 5.3013 5.6691 5.6691 5.7029 5.7029 5.8057 5.8057 6.8222 6.8222 7.4776 7.4776 k = 0.3000 0.5000-0.0000 ( 5528 PWs) bands (ev): -24.2812 -24.2812 -17.9858 -17.9858 -17.9742 -17.9742 -17.8578 -17.8578 -16.0346 -16.0346 -15.9845 -15.9845 -15.8921 -15.8921 -8.1099 -8.1099 -7.9003 -7.9003 -7.7623 -7.7623 -7.2469 -7.2469 -7.0373 -7.0373 -6.7035 -6.7035 -3.8633 -3.8633 -3.5599 -3.5599 -3.4301 -3.4301 -3.2724 -3.2724 -2.9037 -2.9037 -2.8595 -2.8595 -2.6451 -2.6451 -2.5786 -2.5786 -2.0864 -2.0864 -1.9988 -1.9988 -1.4621 -1.4621 -1.4055 -1.4055 -1.2831 -1.2831 -0.6975 -0.6975 0.9999 0.9999 1.1230 1.1230 1.2161 1.2161 1.4637 1.4637 1.5176 1.5176 1.5349 1.5349 4.8046 4.8046 5.2625 5.2625 5.2668 5.2668 5.2944 5.2944 5.3038 5.3038 5.6631 5.6631 5.7173 5.7173 5.8540 5.8540 6.8318 6.8318 7.5001 7.5001 k = 0.3167 0.5000-0.0000 ( 5530 PWs) bands (ev): -24.2812 -24.2812 -17.9794 -17.9794 -17.9742 -17.9742 -17.8608 -17.8608 -16.0352 -16.0352 -15.9915 -15.9915 -15.8920 -15.8920 -8.1164 -8.1164 -7.8959 -7.8959 -7.7589 -7.7589 -7.2319 -7.2319 -7.0141 -7.0141 -6.7043 -6.7043 -3.8680 -3.8680 -3.5631 -3.5631 -3.4506 -3.4506 -3.3152 -3.3152 -2.9024 -2.9024 -2.8768 -2.8768 -2.6447 -2.6447 -2.5792 -2.5792 -2.0667 -2.0667 -1.9995 -1.9995 -1.4554 -1.4554 -1.3982 -1.3982 -1.3046 -1.3046 -0.6638 -0.6638 0.9931 0.9931 1.1065 1.1065 1.1938 1.1938 1.4641 1.4641 1.5180 1.5180 1.5447 1.5447 4.8252 4.8252 5.2650 5.2650 5.2746 5.2746 5.2910 5.2910 5.3213 5.3213 5.6564 5.6564 5.7315 5.7315 5.9042 5.9042 6.8352 6.8352 7.5261 7.5261 k = 0.3333 0.5000-0.0000 ( 5522 PWs) bands (ev): -24.2811 -24.2811 -17.9741 -17.9741 -17.9728 -17.9728 -17.8640 -17.8640 -16.0357 -16.0357 -15.9982 -15.9982 -15.8920 -15.8920 -8.1229 -8.1229 -7.8919 -7.8919 -7.7553 -7.7553 -7.2179 -7.2179 -6.9905 -6.9905 -6.7056 -6.7056 -3.8725 -3.8725 -3.5669 -3.5669 -3.4736 -3.4736 -3.3529 -3.3529 -2.9047 -2.9047 -2.8885 -2.8885 -2.6442 -2.6442 -2.5797 -2.5797 -2.0501 -2.0501 -1.9967 -1.9967 -1.4490 -1.4490 -1.3914 -1.3914 -1.3260 -1.3260 -0.6325 -0.6325 0.9868 0.9868 1.0908 1.0908 1.1724 1.1724 1.4648 1.4648 1.5170 1.5170 1.5549 1.5549 4.8447 4.8447 5.2648 5.2648 5.2753 5.2753 5.2966 5.2966 5.3389 5.3389 5.6492 5.6492 5.7450 5.7450 5.9558 5.9558 6.8324 6.8324 7.5550 7.5550 k = 0.3500 0.5000-0.0000 ( 5534 PWs) bands (ev): -24.2811 -24.2811 -17.9740 -17.9740 -17.9663 -17.9663 -17.8674 -17.8674 -16.0362 -16.0362 -16.0045 -16.0045 -15.8919 -15.8919 -8.1292 -8.1292 -7.8883 -7.8883 -7.7516 -7.7516 -7.2050 -7.2050 -6.9666 -6.9666 -6.7074 -6.7074 -3.8767 -3.8767 -3.5717 -3.5717 -3.4995 -3.4995 -3.3839 -3.3839 -2.9144 -2.9144 -2.8914 -2.8914 -2.6438 -2.6438 -2.5802 -2.5802 -2.0388 -2.0388 -1.9881 -1.9881 -1.4428 -1.4428 -1.3859 -1.3859 -1.3466 -1.3466 -0.6039 -0.6039 0.9812 0.9812 1.0762 1.0762 1.1523 1.1523 1.4657 1.4657 1.5155 1.5155 1.5648 1.5648 4.8627 4.8627 5.2625 5.2625 5.2730 5.2730 5.3065 5.3065 5.3563 5.3563 5.6415 5.6415 5.7579 5.7579 6.0085 6.0085 6.8236 6.8236 7.5857 7.5857 k = 0.3667 0.5000-0.0000 ( 5534 PWs) bands (ev): -24.2810 -24.2810 -17.9739 -17.9739 -17.9597 -17.9597 -17.8711 -17.8711 -16.0367 -16.0367 -16.0104 -16.0104 -15.8918 -15.8918 -8.1352 -8.1352 -7.8852 -7.8852 -7.7479 -7.7479 -7.1933 -7.1933 -6.9428 -6.9428 -6.7098 -6.7098 -3.8806 -3.8806 -3.5783 -3.5783 -3.5266 -3.5266 -3.4082 -3.4082 -2.9259 -2.9259 -2.8907 -2.8907 -2.6432 -2.6432 -2.5806 -2.5806 -2.0334 -2.0334 -1.9736 -1.9736 -1.4370 -1.4370 -1.3849 -1.3849 -1.3629 -1.3629 -0.5780 -0.5780 0.9760 0.9760 1.0627 1.0627 1.1336 1.1336 1.4669 1.4669 1.5136 1.5136 1.5738 1.5738 4.8793 4.8793 5.2582 5.2582 5.2720 5.2720 5.3164 5.3164 5.3734 5.3734 5.6334 5.6334 5.7698 5.7698 6.0619 6.0619 6.8093 6.8093 7.6172 7.6172 k = 0.3833 0.5000-0.0000 ( 5534 PWs) bands (ev): -24.2810 -24.2810 -17.9739 -17.9739 -17.9531 -17.9531 -17.8751 -17.8751 -16.0372 -16.0372 -16.0158 -16.0158 -15.8918 -15.8918 -8.1406 -8.1406 -7.8826 -7.8826 -7.7444 -7.7444 -7.1828 -7.1828 -6.9194 -6.9194 -6.7129 -6.7129 -3.8841 -3.8841 -3.5896 -3.5896 -3.5502 -3.5502 -3.4266 -3.4266 -2.9365 -2.9365 -2.8894 -2.8894 -2.6426 -2.6426 -2.5810 -2.5810 -2.0315 -2.0315 -1.9560 -1.9560 -1.4318 -1.4318 -1.3969 -1.3969 -1.3660 -1.3660 -0.5549 -0.5549 0.9715 0.9715 1.0504 1.0504 1.1165 1.1165 1.4682 1.4682 1.5116 1.5116 1.5820 1.5820 4.8942 4.8942 5.2533 5.2533 5.2717 5.2717 5.3256 5.3256 5.3900 5.3900 5.6250 5.6250 5.7807 5.7807 6.1155 6.1155 6.7899 6.7899 7.6482 7.6482 k = 0.4000 0.5000-0.0000 ( 5538 PWs) bands (ev): -24.2809 -24.2809 -17.9738 -17.9738 -17.9465 -17.9465 -17.8792 -17.8792 -16.0375 -16.0375 -16.0205 -16.0205 -15.8917 -15.8917 -8.1456 -8.1456 -7.8804 -7.8804 -7.7411 -7.7411 -7.1736 -7.1736 -6.8969 -6.8969 -6.7168 -6.7168 -3.8872 -3.8872 -3.6090 -3.6090 -3.5649 -3.5649 -3.4406 -3.4406 -2.9457 -2.9457 -2.8880 -2.8880 -2.6420 -2.6420 -2.5814 -2.5814 -2.0311 -2.0311 -1.9376 -1.9376 -1.4272 -1.4272 -1.4148 -1.4148 -1.3628 -1.3628 -0.5347 -0.5347 0.9676 0.9676 1.0396 1.0396 1.1013 1.1013 1.4696 1.4696 1.5096 1.5096 1.5892 1.5892 4.9073 4.9073 5.2485 5.2485 5.2716 5.2716 5.3338 5.3338 5.4060 5.4060 5.6163 5.6163 5.7904 5.7904 6.1690 6.1690 6.7660 6.7660 7.6778 7.6778 k = 0.4167 0.5000-0.0000 ( 5528 PWs) bands (ev): -24.2809 -24.2809 -17.9738 -17.9738 -17.9400 -17.9400 -17.8837 -17.8837 -16.0379 -16.0379 -16.0246 -16.0246 -15.8917 -15.8917 -8.1498 -8.1498 -7.8786 -7.8786 -7.7382 -7.7382 -7.1658 -7.1658 -6.8755 -6.8755 -6.7215 -6.7215 -3.8899 -3.8899 -3.6326 -3.6326 -3.5727 -3.5727 -3.4513 -3.4513 -2.9534 -2.9534 -2.8867 -2.8867 -2.6414 -2.6414 -2.5817 -2.5817 -2.0312 -2.0312 -1.9198 -1.9198 -1.4336 -1.4336 -1.4223 -1.4223 -1.3589 -1.3589 -0.5175 -0.5175 0.9642 0.9642 1.0304 1.0304 1.0880 1.0880 1.4712 1.4712 1.5075 1.5075 1.5955 1.5955 4.9186 4.9186 5.2443 5.2443 5.2716 5.2716 5.3408 5.3408 5.4211 5.4211 5.6076 5.6076 5.7988 5.7988 6.2216 6.2216 6.7385 6.7385 7.7047 7.7047 k = 0.4333 0.5000-0.0000 ( 5524 PWs) bands (ev): -24.2809 -24.2809 -17.9737 -17.9737 -17.9336 -17.9336 -17.8883 -17.8883 -16.0382 -16.0382 -16.0281 -16.0281 -15.8916 -15.8916 -8.1533 -8.1533 -7.8773 -7.8773 -7.7357 -7.7357 -7.1593 -7.1593 -6.8558 -6.8558 -6.7270 -6.7270 -3.8921 -3.8921 -3.6549 -3.6549 -3.5778 -3.5778 -3.4592 -3.4592 -2.9596 -2.9596 -2.8856 -2.8856 -2.6409 -2.6409 -2.5819 -2.5819 -2.0315 -2.0315 -1.9036 -1.9036 -1.4497 -1.4497 -1.4191 -1.4191 -1.3554 -1.3554 -0.5033 -0.5033 0.9615 0.9615 1.0227 1.0227 1.0769 1.0769 1.4727 1.4727 1.5055 1.5055 1.6006 1.6006 4.9279 4.9279 5.2408 5.2408 5.2715 5.2715 5.3466 5.3466 5.4348 5.4348 5.5991 5.5991 5.8059 5.8059 6.2724 6.2724 6.7081 6.7081 7.7281 7.7281 k = 0.4500 0.5000-0.0000 ( 5512 PWs) bands (ev): -24.2808 -24.2808 -17.9737 -17.9737 -17.9273 -17.9273 -17.8933 -17.8933 -16.0384 -16.0384 -16.0308 -16.0308 -15.8916 -15.8916 -8.1561 -8.1561 -7.8762 -7.8762 -7.7338 -7.7338 -7.1543 -7.1543 -6.8382 -6.8382 -6.7332 -6.7332 -3.8938 -3.8938 -3.6736 -3.6736 -3.5813 -3.5813 -3.4650 -3.4650 -2.9643 -2.9643 -2.8847 -2.8847 -2.6404 -2.6404 -2.5821 -2.5821 -2.0318 -2.0318 -1.8898 -1.8898 -1.4636 -1.4636 -1.4163 -1.4163 -1.3526 -1.3526 -0.4922 -0.4922 0.9594 0.9594 1.0167 1.0167 1.0680 1.0680 1.4742 1.4742 1.5037 1.5037 1.6046 1.6046 4.9352 4.9352 5.2379 5.2379 5.2715 5.2715 5.3512 5.3512 5.4469 5.4469 5.5912 5.5912 5.8114 5.8114 6.3200 6.3200 6.6765 6.6765 7.7472 7.7472 k = 0.4667 0.5000-0.0000 ( 5520 PWs) bands (ev): -24.2808 -24.2808 -17.9737 -17.9737 -17.9212 -17.9212 -17.8984 -17.8984 -16.0385 -16.0385 -16.0327 -16.0327 -15.8916 -15.8916 -8.1582 -8.1582 -7.8755 -7.8755 -7.7323 -7.7323 -7.1506 -7.1506 -6.8235 -6.8235 -6.7394 -6.7394 -3.8951 -3.8951 -3.6875 -3.6875 -3.5838 -3.5838 -3.4691 -3.4691 -2.9678 -2.9678 -2.8841 -2.8841 -2.6402 -2.6402 -2.5822 -2.5822 -2.0322 -2.0322 -1.8792 -1.8792 -1.4743 -1.4743 -1.4143 -1.4143 -1.3505 -1.3505 -0.4843 -0.4843 0.9578 0.9578 1.0124 1.0124 1.0616 1.0616 1.4754 1.4754 1.5023 1.5023 1.6075 1.6075 4.9404 4.9404 5.2359 5.2359 5.2715 5.2715 5.3544 5.3544 5.4565 5.4565 5.5846 5.5846 5.8155 5.8155 6.3619 6.3619 6.6460 6.6460 7.7613 7.7613 k = 0.4833 0.5000-0.0000 ( 5520 PWs) bands (ev): -24.2808 -24.2808 -17.9736 -17.9736 -17.9152 -17.9152 -17.9038 -17.9038 -16.0386 -16.0386 -16.0339 -16.0339 -15.8915 -15.8915 -8.1594 -8.1594 -7.8751 -7.8751 -7.7314 -7.7314 -7.1485 -7.1485 -6.8132 -6.8132 -6.7445 -6.7445 -3.8958 -3.8958 -3.6961 -3.6961 -3.5853 -3.5853 -3.4714 -3.4714 -2.9698 -2.9698 -2.8837 -2.8837 -2.6400 -2.6400 -2.5823 -2.5823 -2.0323 -2.0323 -1.8725 -1.8725 -1.4811 -1.4811 -1.4131 -1.4131 -1.3492 -1.3492 -0.4795 -0.4795 0.9569 0.9569 1.0098 1.0098 1.0578 1.0578 1.4762 1.4762 1.5013 1.5013 1.6093 1.6093 4.9436 4.9436 5.2346 5.2346 5.2715 5.2715 5.3564 5.3564 5.4628 5.4628 5.5801 5.5801 5.8179 5.8179 6.3930 6.3930 6.6217 6.6217 7.7699 7.7699 k = 0.5000 0.5000-0.0000 ( 5552 PWs) bands (ev): -24.2808 -24.2808 -17.9737 -17.9737 -17.9096 -17.9096 -17.9092 -17.9092 -16.0387 -16.0387 -16.0343 -16.0343 -15.8915 -15.8915 -8.1598 -8.1598 -7.8750 -7.8750 -7.7312 -7.7312 -7.1478 -7.1478 -6.8094 -6.8094 -6.7466 -6.7466 -3.8961 -3.8961 -3.6989 -3.6989 -3.5860 -3.5860 -3.4722 -3.4722 -2.9706 -2.9706 -2.8837 -2.8837 -2.6400 -2.6400 -2.5824 -2.5824 -2.0325 -2.0325 -1.8702 -1.8702 -1.4834 -1.4834 -1.4127 -1.4127 -1.3488 -1.3488 -0.4780 -0.4780 0.9566 0.9566 1.0089 1.0089 1.0565 1.0565 1.4764 1.4764 1.5009 1.5009 1.6099 1.6099 4.9446 4.9446 5.2342 5.2342 5.2715 5.2715 5.3571 5.3571 5.4650 5.4650 5.5785 5.5785 5.8187 5.8187 6.4051 6.4051 6.6118 6.6118 7.7728 7.7728 k = 0.5000 0.5000-0.0000 ( 5552 PWs) bands (ev): -24.2808 -24.2808 -17.9737 -17.9737 -17.9096 -17.9096 -17.9092 -17.9092 -16.0387 -16.0387 -16.0343 -16.0343 -15.8915 -15.8915 -8.1598 -8.1598 -7.8750 -7.8750 -7.7312 -7.7312 -7.1478 -7.1478 -6.8094 -6.8094 -6.7466 -6.7466 -3.8961 -3.8961 -3.6989 -3.6989 -3.5860 -3.5860 -3.4722 -3.4722 -2.9706 -2.9706 -2.8837 -2.8837 -2.6400 -2.6400 -2.5824 -2.5824 -2.0325 -2.0325 -1.8702 -1.8702 -1.4834 -1.4834 -1.4127 -1.4127 -1.3488 -1.3488 -0.4780 -0.4780 0.9566 0.9566 1.0089 1.0089 1.0565 1.0565 1.4764 1.4764 1.5009 1.5009 1.6099 1.6099 4.9446 4.9446 5.2342 5.2342 5.2715 5.2715 5.3571 5.3571 5.4650 5.4650 5.5785 5.5785 5.8187 5.8187 6.4051 6.4051 6.6118 6.6118 7.7728 7.7728 k = 0.4881 0.4881-0.0000 ( 5514 PWs) bands (ev): -24.2808 -24.2808 -17.9739 -17.9739 -17.9134 -17.9134 -17.9053 -17.9053 -16.0385 -16.0385 -16.0340 -16.0340 -15.8915 -15.8915 -8.1596 -8.1596 -7.8750 -7.8750 -7.7313 -7.7313 -7.1483 -7.1483 -6.8112 -6.8112 -6.7469 -6.7469 -3.8939 -3.8939 -3.6976 -3.6976 -3.5853 -3.5853 -3.4715 -3.4715 -2.9701 -2.9701 -2.8835 -2.8835 -2.6399 -2.6399 -2.5824 -2.5824 -2.0325 -2.0325 -1.8712 -1.8712 -1.4822 -1.4822 -1.4131 -1.4131 -1.3492 -1.3492 -0.4794 -0.4794 0.9571 0.9571 1.0096 1.0096 1.0578 1.0578 1.4762 1.4762 1.5011 1.5011 1.6096 1.6096 4.9438 4.9438 5.2343 5.2343 5.2709 5.2709 5.3567 5.3567 5.4639 5.4639 5.5791 5.5791 5.8177 5.8177 6.3991 6.3991 6.6154 6.6154 7.7705 7.7705 k = 0.4762 0.4762-0.0000 ( 5514 PWs) bands (ev): -24.2808 -24.2808 -17.9746 -17.9746 -17.9173 -17.9173 -17.9013 -17.9013 -16.0380 -16.0380 -16.0332 -16.0332 -15.8915 -15.8915 -8.1589 -8.1589 -7.8752 -7.8752 -7.7318 -7.7318 -7.1499 -7.1499 -6.8167 -6.8167 -6.7479 -6.7479 -3.8876 -3.8876 -3.6934 -3.6934 -3.5837 -3.5837 -3.4698 -3.4698 -2.9689 -2.9689 -2.8833 -2.8833 -2.6401 -2.6401 -2.5825 -2.5825 -2.0330 -2.0330 -1.8741 -1.8741 -1.4789 -1.4789 -1.4143 -1.4143 -1.3504 -1.3504 -0.4836 -0.4836 0.9585 0.9585 1.0115 1.0115 1.0617 1.0617 1.4754 1.4754 1.5017 1.5017 1.6087 1.6087 4.9411 4.9411 5.2345 5.2345 5.2692 5.2692 5.3558 5.3558 5.4604 5.4604 5.5808 5.5808 5.8147 5.8147 6.3822 6.3822 6.6246 6.6246 7.7638 7.7638 k = 0.4643 0.4643-0.0000 ( 5520 PWs) bands (ev): -24.2808 -24.2808 -17.9759 -17.9759 -17.9210 -17.9210 -17.8974 -17.8974 -16.0372 -16.0372 -16.0319 -16.0319 -15.8916 -15.8916 -8.1577 -8.1577 -7.8756 -7.8756 -7.7325 -7.7325 -7.1526 -7.1526 -6.8255 -6.8255 -6.7498 -6.7498 -3.8770 -3.8770 -3.6866 -3.6866 -3.5811 -3.5811 -3.4669 -3.4669 -2.9670 -2.9670 -2.8831 -2.8831 -2.6404 -2.6404 -2.5826 -2.5826 -2.0339 -2.0339 -1.8788 -1.8788 -1.4735 -1.4735 -1.4161 -1.4161 -1.3523 -1.3523 -0.4906 -0.4906 0.9608 0.9608 1.0148 1.0148 1.0681 1.0681 1.4741 1.4741 1.5024 1.5024 1.6072 1.6072 4.9366 4.9366 5.2347 5.2347 5.2664 5.2664 5.3541 5.3541 5.4548 5.4548 5.5834 5.5834 5.8095 5.8095 6.3576 6.3576 6.6367 6.6367 7.7526 7.7526 k = 0.4524 0.4524-0.0000 ( 5528 PWs) bands (ev): -24.2809 -24.2809 -17.9779 -17.9779 -17.9242 -17.9242 -17.8937 -17.8937 -16.0360 -16.0360 -16.0301 -16.0301 -15.8916 -15.8916 -8.1561 -8.1561 -7.8761 -7.8761 -7.7336 -7.7336 -7.1563 -7.1563 -6.8373 -6.8373 -6.7527 -6.7527 -3.8625 -3.8625 -3.6772 -3.6772 -3.5774 -3.5774 -3.4629 -3.4629 -2.9644 -2.9644 -2.8826 -2.8826 -2.6408 -2.6408 -2.5829 -2.5829 -2.0351 -2.0351 -1.8852 -1.8852 -1.4663 -1.4663 -1.4186 -1.4186 -1.3551 -1.3551 -0.5002 -0.5002 0.9641 0.9641 1.0193 1.0193 1.0769 1.0769 1.4725 1.4725 1.5032 1.5032 1.6053 1.6053 4.9301 4.9301 5.2346 5.2346 5.2631 5.2631 5.3519 5.3519 5.4474 5.4474 5.5866 5.5866 5.8021 5.8021 6.3280 6.3280 6.6492 6.6492 7.7371 7.7371 k = 0.4405 0.4405-0.0000 ( 5530 PWs) bands (ev): -24.2809 -24.2809 -17.9805 -17.9805 -17.9269 -17.9269 -17.8901 -17.8901 -16.0344 -16.0344 -16.0279 -16.0279 -15.8916 -15.8916 -8.1541 -8.1541 -7.8767 -7.8767 -7.7348 -7.7348 -7.1611 -7.1611 -6.8518 -6.8518 -6.7570 -6.7570 -3.8440 -3.8440 -3.6655 -3.6655 -3.5724 -3.5724 -3.4578 -3.4578 -2.9609 -2.9609 -2.8820 -2.8820 -2.6412 -2.6412 -2.5832 -2.5832 -2.0367 -2.0367 -1.8931 -1.8931 -1.4577 -1.4577 -1.4214 -1.4214 -1.3586 -1.3586 -0.5122 -0.5122 0.9683 0.9683 1.0250 1.0250 1.0879 1.0879 1.4707 1.4707 1.5040 1.5040 1.6029 1.6029 4.9215 4.9215 5.2338 5.2338 5.2597 5.2597 5.3491 5.3491 5.4385 5.4385 5.5902 5.5902 5.7923 5.7923 6.2957 6.2957 6.6605 6.6605 7.7174 7.7174 k = 0.4286 0.4286-0.0000 ( 5536 PWs) bands (ev): -24.2809 -24.2809 -17.9840 -17.9840 -17.9291 -17.9291 -17.8868 -17.8868 -16.0324 -16.0324 -16.0252 -16.0252 -15.8916 -15.8916 -8.1516 -8.1516 -7.8774 -7.8774 -7.7363 -7.7363 -7.1668 -7.1668 -6.8687 -6.8687 -6.7627 -6.7627 -3.8218 -3.8218 -3.6516 -3.6516 -3.5662 -3.5662 -3.4516 -3.4516 -2.9566 -2.9566 -2.8812 -2.8812 -2.6418 -2.6418 -2.5836 -2.5836 -2.0386 -2.0386 -1.9021 -1.9021 -1.4486 -1.4486 -1.4241 -1.4241 -1.3628 -1.3628 -0.5266 -0.5266 0.9733 0.9733 1.0318 1.0318 1.1009 1.1009 1.4687 1.4687 1.5044 1.5044 1.6003 1.6003 4.9106 4.9106 5.2312 5.2312 5.2571 5.2571 5.3459 5.3459 5.4282 5.4282 5.5939 5.5939 5.7799 5.7799 6.2622 6.2622 6.6693 6.6693 7.6937 7.6937 k = 0.4167 0.4167-0.0000 ( 5532 PWs) bands (ev): -24.2810 -24.2810 -17.9881 -17.9881 -17.9305 -17.9305 -17.8838 -17.8838 -16.0300 -16.0300 -16.0222 -16.0222 -15.8916 -15.8916 -8.1487 -8.1487 -7.8782 -7.8782 -7.7380 -7.7380 -7.1735 -7.1735 -6.8877 -6.8877 -6.7698 -6.7698 -3.7962 -3.7962 -3.6359 -3.6359 -3.5583 -3.5583 -3.4443 -3.4443 -2.9515 -2.9515 -2.8801 -2.8801 -2.6423 -2.6423 -2.5840 -2.5840 -2.0409 -2.0409 -1.9121 -1.9121 -1.4418 -1.4418 -1.4239 -1.4239 -1.3675 -1.3675 -0.5429 -0.5429 0.9792 0.9792 1.0397 1.0397 1.1158 1.1158 1.4666 1.4666 1.5044 1.5044 1.5976 1.5976 4.8971 4.8971 5.2266 5.2266 5.2558 5.2558 5.3423 5.3423 5.4169 5.4169 5.5977 5.5977 5.7648 5.7648 6.2288 6.2288 6.6750 6.6750 7.6662 7.6662 k = 0.4048 0.4048-0.0000 ( 5532 PWs) bands (ev): -24.2810 -24.2810 -17.9930 -17.9930 -17.9313 -17.9313 -17.8810 -17.8810 -16.0273 -16.0273 -16.0189 -16.0189 -15.8916 -15.8916 -8.1454 -8.1454 -7.8791 -7.8791 -7.7398 -7.7398 -7.1811 -7.1811 -6.9087 -6.9087 -6.7783 -6.7783 -3.7674 -3.7674 -3.6191 -3.6191 -3.5486 -3.5486 -3.4359 -3.4359 -2.9456 -2.9456 -2.8788 -2.8788 -2.6430 -2.6430 -2.5845 -2.5845 -2.0436 -2.0436 -1.9228 -1.9228 -1.4423 -1.4423 -1.4166 -1.4166 -1.3724 -1.3724 -0.5611 -0.5611 0.9859 0.9859 1.0486 1.0486 1.1324 1.1324 1.4643 1.4643 1.5039 1.5039 1.5949 1.5949 4.8807 4.8807 5.2198 5.2198 5.2558 5.2558 5.3386 5.3386 5.4046 5.4046 5.6014 5.6014 5.7469 5.7469 6.1965 6.1965 6.6772 6.6772 7.6351 7.6351 k = 0.3929 0.3929-0.0000 ( 5536 PWs) bands (ev): -24.2811 -24.2811 -17.9985 -17.9985 -17.9316 -17.9316 -17.8785 -17.8785 -16.0241 -16.0241 -16.0152 -16.0152 -15.8916 -15.8916 -8.1417 -8.1417 -7.8800 -7.8800 -7.7418 -7.7418 -7.1896 -7.1896 -6.9314 -6.9314 -6.7882 -6.7882 -3.7356 -3.7356 -3.6017 -3.6017 -3.5365 -3.5365 -3.4263 -3.4263 -2.9389 -2.9389 -2.8772 -2.8772 -2.6437 -2.6437 -2.5851 -2.5851 -2.0468 -2.0468 -1.9341 -1.9341 -1.4474 -1.4474 -1.4056 -1.4056 -1.3768 -1.3768 -0.5807 -0.5807 0.9933 0.9933 1.0582 1.0582 1.1503 1.1503 1.4620 1.4620 1.5028 1.5028 1.5925 1.5925 4.8612 4.8612 5.2116 5.2116 5.2561 5.2561 5.3350 5.3350 5.3915 5.3915 5.6048 5.6048 5.7263 5.7263 6.1661 6.1661 6.6757 6.6757 7.6006 7.6006 k = 0.3810 0.3810-0.0000 ( 5532 PWs) bands (ev): -24.2811 -24.2811 -18.0045 -18.0045 -17.9313 -17.9313 -17.8763 -17.8763 -16.0206 -16.0206 -16.0112 -16.0112 -15.8916 -15.8916 -8.1376 -8.1376 -7.8810 -7.8810 -7.7437 -7.7437 -7.1988 -7.1988 -6.9556 -6.9556 -6.7995 -6.7995 -3.7014 -3.7014 -3.5847 -3.5847 -3.5215 -3.5215 -3.4154 -3.4154 -2.9314 -2.9314 -2.8752 -2.8752 -2.6444 -2.6444 -2.5857 -2.5857 -2.0503 -2.0503 -1.9458 -1.9458 -1.4548 -1.4548 -1.3963 -1.3963 -1.3777 -1.3777 -0.6017 -0.6017 1.0014 1.0014 1.0684 1.0684 1.1696 1.1696 1.4594 1.4594 1.5010 1.5010 1.5905 1.5905 4.8384 4.8384 5.2024 5.2024 5.2562 5.2562 5.3320 5.3320 5.3777 5.3777 5.6080 5.6080 5.7034 5.7034 6.1380 6.1380 6.6705 6.6705 7.5631 7.5631 k = 0.3690 0.3690-0.0000 ( 5536 PWs) bands (ev): -24.2812 -24.2812 -18.0110 -18.0110 -17.9307 -17.9307 -17.8743 -17.8743 -16.0168 -16.0168 -16.0070 -16.0070 -15.8917 -15.8917 -8.1333 -8.1333 -7.8819 -7.8819 -7.7458 -7.7458 -7.2088 -7.2088 -6.9811 -6.9811 -6.8122 -6.8122 -3.6651 -3.6651 -3.5685 -3.5685 -3.5035 -3.5035 -3.4031 -3.4031 -2.9231 -2.9231 -2.8729 -2.8729 -2.6452 -2.6452 -2.5864 -2.5864 -2.0544 -2.0544 -1.9578 -1.9578 -1.4641 -1.4641 -1.3945 -1.3945 -1.3696 -1.3696 -0.6237 -0.6237 1.0101 1.0101 1.0791 1.0791 1.1898 1.1898 1.4564 1.4564 1.4986 1.4986 1.5890 1.5890 4.8119 4.8119 5.1925 5.1925 5.2552 5.2552 5.3299 5.3299 5.3633 5.3633 5.6108 5.6108 5.6787 5.6787 6.1126 6.1126 6.6613 6.6613 7.5228 7.5228 k = 0.3571 0.3571-0.0000 ( 5532 PWs) bands (ev): -24.2813 -24.2813 -18.0178 -18.0178 -17.9296 -17.9296 -17.8726 -17.8726 -16.0127 -16.0127 -16.0025 -16.0025 -15.8917 -15.8917 -8.1286 -8.1286 -7.8828 -7.8828 -7.7477 -7.7477 -7.2195 -7.2195 -7.0077 -7.0077 -6.8260 -6.8260 -3.6274 -3.6274 -3.5531 -3.5531 -3.4827 -3.4827 -3.3889 -3.3889 -2.9139 -2.9139 -2.8700 -2.8700 -2.6459 -2.6459 -2.5871 -2.5871 -2.0589 -2.0589 -1.9699 -1.9699 -1.4755 -1.4755 -1.3965 -1.3965 -1.3563 -1.3563 -0.6464 -0.6464 1.0194 1.0194 1.0902 1.0902 1.2109 1.2109 1.4529 1.4529 1.4958 1.4958 1.5882 1.5882 4.7815 4.7815 5.1820 5.1820 5.2525 5.2525 5.3289 5.3289 5.3489 5.3489 5.6130 5.6130 5.6531 5.6531 6.0897 6.0897 6.6484 6.6484 7.4799 7.4799 k = 0.3452 0.3452-0.0000 ( 5534 PWs) bands (ev): -24.2813 -24.2813 -18.0248 -18.0248 -17.9283 -17.9283 -17.8712 -17.8712 -16.0083 -16.0083 -15.9979 -15.9979 -15.8917 -15.8917 -8.1236 -8.1236 -7.8836 -7.8836 -7.7497 -7.7497 -7.2309 -7.2309 -7.0351 -7.0351 -6.8411 -6.8411 -3.5893 -3.5893 -3.5376 -3.5376 -3.4602 -3.4602 -3.3724 -3.3724 -2.9041 -2.9041 -2.8664 -2.8664 -2.6466 -2.6466 -2.5879 -2.5879 -2.0638 -2.0638 -1.9821 -1.9821 -1.4891 -1.4891 -1.3984 -1.3984 -1.3415 -1.3415 -0.6697 -0.6697 1.0292 1.0292 1.1015 1.1015 1.2327 1.2327 1.4485 1.4485 1.4930 1.4930 1.5879 1.5879 4.7471 4.7471 5.1711 5.1711 5.2476 5.2476 5.3266 5.3266 5.3372 5.3372 5.6137 5.6137 5.6287 5.6287 6.0693 6.0693 6.6317 6.6317 7.4348 7.4348 k = 0.3333 0.3333-0.0000 ( 5514 PWs) bands (ev): -24.2814 -24.2814 -18.0320 -18.0320 -17.9267 -17.9267 -17.8700 -17.8700 -16.0036 -16.0036 -15.9931 -15.9931 -15.8917 -15.8917 -8.1184 -8.1184 -7.8842 -7.8842 -7.7515 -7.7515 -7.2428 -7.2428 -7.0633 -7.0633 -6.8572 -6.8572 -3.5543 -3.5543 -3.5188 -3.5188 -3.4369 -3.4369 -3.3527 -3.3527 -2.8938 -2.8938 -2.8618 -2.8618 -2.6473 -2.6473 -2.5887 -2.5887 -2.0692 -2.0692 -1.9942 -1.9942 -1.5049 -1.5049 -1.3991 -1.3991 -1.3262 -1.3262 -0.6933 -0.6933 1.0393 1.0393 1.1127 1.1127 1.2549 1.2549 1.4431 1.4431 1.4905 1.4905 1.5882 1.5882 4.7085 4.7085 5.1598 5.1598 5.2402 5.2402 5.3144 5.3144 5.3369 5.3369 5.5996 5.5996 5.6197 5.6197 6.0511 6.0511 6.6116 6.6116 7.3878 7.3878 k = 0.3214 0.3214-0.0000 ( 5526 PWs) bands (ev): -24.2815 -24.2815 -18.0394 -18.0394 -17.9249 -17.9249 -17.8690 -17.8690 -15.9987 -15.9987 -15.9881 -15.9881 -15.8918 -15.8918 -8.1130 -8.1130 -7.8847 -7.8847 -7.7532 -7.7532 -7.2554 -7.2554 -7.0919 -7.0919 -6.8743 -6.8743 -3.5286 -3.5286 -3.4911 -3.4911 -3.4136 -3.4136 -3.3296 -3.3296 -2.8833 -2.8833 -2.8561 -2.8561 -2.6479 -2.6479 -2.5895 -2.5895 -2.0751 -2.0751 -2.0062 -2.0062 -1.5229 -1.5229 -1.3984 -1.3984 -1.3108 -1.3108 -0.7170 -0.7170 1.0498 1.0498 1.1238 1.1238 1.2774 1.2774 1.4365 1.4365 1.4887 1.4887 1.5890 1.5890 4.6657 4.6657 5.1482 5.1482 5.2304 5.2304 5.2986 5.2986 5.3415 5.3415 5.5773 5.5773 5.6203 5.6203 6.0346 6.0346 6.5881 6.5881 7.3391 7.3391 k = 0.3095 0.3095-0.0000 ( 5516 PWs) bands (ev): -24.2816 -24.2816 -18.0468 -18.0468 -17.9230 -17.9230 -17.8683 -17.8683 -15.9936 -15.9936 -15.9830 -15.9830 -15.8918 -15.8918 -8.1074 -8.1074 -7.8848 -7.8848 -7.7548 -7.7548 -7.2684 -7.2684 -7.1209 -7.1209 -6.8924 -6.8924 -3.5113 -3.5113 -3.4573 -3.4573 -3.3891 -3.3891 -3.3026 -3.3026 -2.8730 -2.8730 -2.8486 -2.8486 -2.6485 -2.6485 -2.5904 -2.5904 -2.0814 -2.0814 -2.0181 -2.0181 -1.5431 -1.5431 -1.3961 -1.3961 -1.2953 -1.2953 -0.7405 -0.7405 1.0605 1.0605 1.1347 1.1347 1.3000 1.3000 1.4286 1.4286 1.4879 1.4879 1.5902 1.5902 4.6189 4.6189 5.1364 5.1364 5.2185 5.2185 5.2821 5.2821 5.3481 5.3481 5.5568 5.5568 5.6214 5.6214 6.0197 6.0197 6.5616 6.5616 7.2891 7.2891 k = 0.2976 0.2976-0.0000 ( 5518 PWs) bands (ev): -24.2816 -24.2816 -18.0543 -18.0543 -17.9209 -17.9209 -17.8678 -17.8678 -15.9883 -15.9883 -15.9778 -15.9778 -15.8918 -15.8918 -8.1017 -8.1017 -7.8846 -7.8846 -7.7562 -7.7562 -7.2819 -7.2819 -7.1501 -7.1501 -6.9112 -6.9112 -3.4969 -3.4969 -3.4260 -3.4260 -3.3607 -3.3607 -3.2723 -3.2723 -2.8635 -2.8635 -2.8389 -2.8389 -2.6489 -2.6489 -2.5913 -2.5913 -2.0881 -2.0881 -2.0297 -2.0297 -1.5652 -1.5652 -1.3922 -1.3922 -1.2800 -1.2800 -0.7638 -0.7638 1.0713 1.0713 1.1451 1.1451 1.3226 1.3226 1.4195 1.4195 1.4880 1.4880 1.5917 1.5917 4.5683 4.5683 5.1244 5.1244 5.2048 5.2048 5.2653 5.2653 5.3559 5.3559 5.5394 5.5394 5.6223 5.6223 6.0058 6.0058 6.5321 6.5321 7.2379 7.2379 k = 0.2857 0.2857-0.0000 ( 5514 PWs) bands (ev): -24.2817 -24.2817 -18.0617 -18.0617 -17.9186 -17.9186 -17.8674 -17.8674 -15.9829 -15.9829 -15.9726 -15.9726 -15.8918 -15.8918 -8.0959 -8.0959 -7.8839 -7.8839 -7.7574 -7.7574 -7.2959 -7.2959 -7.1792 -7.1792 -6.9308 -6.9308 -3.4832 -3.4832 -3.4014 -3.4014 -3.3260 -3.3260 -3.2395 -3.2395 -2.8546 -2.8546 -2.8268 -2.8268 -2.6492 -2.6492 -2.5923 -2.5923 -2.0952 -2.0952 -2.0412 -2.0412 -1.5891 -1.5891 -1.3868 -1.3868 -1.2649 -1.2649 -0.7866 -0.7866 1.0820 1.0820 1.1551 1.1551 1.3449 1.3449 1.4095 1.4095 1.4891 1.4891 1.5935 1.5935 4.5141 4.5141 5.1122 5.1122 5.1896 5.1896 5.2483 5.2483 5.3648 5.3648 5.5252 5.5252 5.6229 5.6229 5.9928 5.9928 6.5002 6.5002 7.1860 7.1860 k = 0.2738 0.2738-0.0000 ( 5530 PWs) bands (ev): -24.2818 -24.2818 -18.0691 -18.0691 -17.9163 -17.9163 -17.8673 -17.8673 -15.9774 -15.9774 -15.9674 -15.9674 -15.8919 -15.8919 -8.0901 -8.0901 -7.8828 -7.8828 -7.7584 -7.7584 -7.3103 -7.3103 -7.2082 -7.2082 -6.9510 -6.9510 -3.4699 -3.4699 -3.3830 -3.3830 -3.2862 -3.2862 -3.2048 -3.2048 -2.8460 -2.8460 -2.8130 -2.8130 -2.6495 -2.6495 -2.5933 -2.5933 -2.1026 -2.1026 -2.0525 -2.0525 -1.6148 -1.6148 -1.3798 -1.3798 -1.2501 -1.2501 -0.8088 -0.8088 1.0927 1.0927 1.1643 1.1643 1.3667 1.3667 1.3990 1.3990 1.4911 1.4911 1.5955 1.5955 4.4567 4.4567 5.1000 5.1000 5.1733 5.1733 5.2310 5.2310 5.3746 5.3746 5.5143 5.5143 5.6233 5.6233 5.9804 5.9804 6.4660 6.4660 7.1335 7.1335 k = 0.2619 0.2619-0.0000 ( 5528 PWs) bands (ev): -24.2819 -24.2819 -18.0764 -18.0764 -17.9139 -17.9139 -17.8673 -17.8673 -15.9718 -15.9718 -15.9622 -15.9622 -15.8919 -15.8919 -8.0842 -8.0842 -7.8811 -7.8811 -7.7593 -7.7593 -7.3250 -7.3250 -7.2369 -7.2369 -6.9718 -6.9718 -3.4565 -3.4565 -3.3684 -3.3684 -3.2437 -3.2437 -3.1690 -3.1690 -2.8370 -2.8370 -2.7977 -2.7977 -2.6495 -2.6495 -2.5943 -2.5943 -2.1102 -2.1102 -2.0636 -2.0636 -1.6420 -1.6420 -1.3712 -1.3712 -1.2356 -1.2356 -0.8304 -0.8304 1.1031 1.1031 1.1729 1.1729 1.3827 1.3827 1.3932 1.3932 1.4941 1.4941 1.5976 1.5976 4.3967 4.3967 5.0878 5.0878 5.1565 5.1565 5.2137 5.2137 5.3851 5.3851 5.5066 5.5066 5.6234 5.6234 5.9684 5.9684 6.4298 6.4298 7.0808 7.0808 k = 0.2500 0.2500-0.0000 ( 5522 PWs) bands (ev): -24.2820 -24.2820 -18.0836 -18.0836 -17.9115 -17.9115 -17.8674 -17.8674 -15.9662 -15.9662 -15.9570 -15.9570 -15.8919 -15.8919 -8.0783 -8.0783 -7.8787 -7.8787 -7.7598 -7.7598 -7.3402 -7.3402 -7.2652 -7.2652 -6.9929 -6.9929 -3.4432 -3.4432 -3.3560 -3.3560 -3.2002 -3.2002 -3.1325 -3.1325 -2.8273 -2.8273 -2.7815 -2.7815 -2.6494 -2.6494 -2.5953 -2.5953 -2.1180 -2.1180 -2.0744 -2.0744 -1.6706 -1.6706 -1.3611 -1.3611 -1.2214 -1.2214 -0.8512 -0.8512 1.1133 1.1133 1.1807 1.1807 1.3740 1.3740 1.4111 1.4111 1.4979 1.4979 1.5998 1.5998 4.3344 4.3344 5.0757 5.0757 5.1395 5.1395 5.1965 5.1965 5.3962 5.3962 5.5017 5.5017 5.6234 5.6234 5.9567 5.9567 6.3921 6.3921 7.0281 7.0281 k = 0.2381 0.2381-0.0000 ( 5532 PWs) bands (ev): -24.2821 -24.2821 -18.0906 -18.0906 -17.9090 -17.9090 -17.8677 -17.8677 -15.9606 -15.9606 -15.9518 -15.9518 -15.8920 -15.8920 -8.0724 -8.0724 -7.8758 -7.8758 -7.7602 -7.7602 -7.3556 -7.3556 -7.2928 -7.2928 -7.0144 -7.0144 -3.4300 -3.4300 -3.3451 -3.3451 -3.1567 -3.1567 -3.0959 -3.0959 -2.8167 -2.8167 -2.7647 -2.7647 -2.6491 -2.6491 -2.5964 -2.5964 -2.1259 -2.1259 -2.0851 -2.0851 -1.7005 -1.7005 -1.3496 -1.3496 -1.2078 -1.2078 -0.8711 -0.8711 1.1230 1.1230 1.1876 1.1876 1.3621 1.3621 1.4312 1.4312 1.5026 1.5026 1.6020 1.6020 4.2705 4.2705 5.0638 5.0638 5.1226 5.1226 5.1792 5.1792 5.4078 5.4078 5.4993 5.4993 5.6231 5.6231 5.9452 5.9452 6.3530 6.3530 6.9756 6.9756 k = 0.2262 0.2262-0.0000 ( 5525 PWs) bands (ev): -24.2822 -24.2822 -18.0975 -18.0975 -17.9066 -17.9066 -17.8680 -17.8680 -15.9551 -15.9551 -15.9468 -15.9468 -15.8920 -15.8920 -8.0666 -8.0666 -7.8721 -7.8721 -7.7604 -7.7604 -7.3715 -7.3715 -7.3198 -7.3198 -7.0360 -7.0360 -3.4167 -3.4167 -3.3353 -3.3353 -3.1138 -3.1138 -3.0595 -3.0595 -2.8048 -2.8048 -2.7474 -2.7474 -2.6485 -2.6485 -2.5974 -2.5974 -2.1338 -2.1338 -2.0956 -2.0956 -1.7315 -1.7315 -1.3366 -1.3366 -1.1946 -1.1946 -0.8901 -0.8901 1.1322 1.1322 1.1937 1.1937 1.3499 1.3499 1.4507 1.4507 1.5081 1.5081 1.6043 1.6043 4.2054 4.2054 5.0522 5.0522 5.1063 5.1063 5.1621 5.1621 5.4198 5.4198 5.4990 5.4990 5.6227 5.6227 5.9338 5.9338 6.3130 6.3130 6.9238 6.9238 k = 0.2143 0.2143-0.0000 ( 5537 PWs) bands (ev): -24.2823 -24.2823 -18.1041 -18.1041 -17.9041 -17.9041 -17.8685 -17.8685 -15.9496 -15.9496 -15.9418 -15.9418 -15.8920 -15.8920 -8.0608 -8.0608 -7.8677 -7.8677 -7.7603 -7.7603 -7.3877 -7.3877 -7.3459 -7.3459 -7.0577 -7.0577 -3.4037 -3.4037 -3.3265 -3.3265 -3.0718 -3.0718 -3.0238 -3.0238 -2.7916 -2.7916 -2.7299 -2.7299 -2.6478 -2.6478 -2.5985 -2.5985 -2.1418 -2.1418 -2.1059 -2.1059 -1.7634 -1.7634 -1.3223 -1.3223 -1.1819 -1.1819 -0.9082 -0.9082 1.1408 1.1408 1.1989 1.1989 1.3376 1.3376 1.4694 1.4694 1.5144 1.5144 1.6066 1.6066 4.1398 4.1398 5.0410 5.0410 5.0906 5.0906 5.1452 5.1452 5.4322 5.4322 5.5005 5.5005 5.6221 5.6221 5.9223 5.9223 6.2723 6.2723 6.8726 6.8726 k = 0.2024 0.2024-0.0000 ( 5527 PWs) bands (ev): -24.2824 -24.2824 -18.1105 -18.1105 -17.9017 -17.9017 -17.8690 -17.8690 -15.9442 -15.9442 -15.9370 -15.9370 -15.8920 -15.8920 -8.0551 -8.0551 -7.8626 -7.8626 -7.7599 -7.7599 -7.4044 -7.4044 -7.3710 -7.3710 -7.0794 -7.0794 -3.3907 -3.3907 -3.3185 -3.3185 -3.0311 -3.0311 -2.9891 -2.9891 -2.7768 -2.7768 -2.7123 -2.7123 -2.6466 -2.6466 -2.5995 -2.5995 -2.1496 -2.1496 -2.1160 -2.1160 -1.7961 -1.7961 -1.3068 -1.3068 -1.1697 -1.1697 -0.9253 -0.9253 1.1489 1.1489 1.2032 1.2032 1.3253 1.3253 1.4870 1.4870 1.5215 1.5215 1.6088 1.6088 4.0742 4.0742 5.0303 5.0303 5.0757 5.0757 5.1286 5.1286 5.4449 5.4449 5.5035 5.5035 5.6214 5.6214 5.9109 5.9109 6.2313 6.2313 6.8226 6.8226 k = 0.1905 0.1905-0.0000 ( 5543 PWs) bands (ev): -24.2825 -24.2825 -18.1167 -18.1167 -17.8993 -17.8993 -17.8696 -17.8696 -15.9390 -15.9390 -15.9324 -15.9324 -15.8921 -15.8921 -8.0494 -8.0494 -7.8568 -7.8568 -7.7594 -7.7594 -7.4216 -7.4216 -7.3948 -7.3948 -7.1008 -7.1008 -3.3781 -3.3781 -3.3112 -3.3112 -2.9918 -2.9918 -2.9559 -2.9559 -2.7605 -2.7605 -2.6952 -2.6952 -2.6450 -2.6450 -2.6005 -2.6005 -2.1573 -2.1573 -2.1259 -2.1259 -1.8293 -1.8293 -1.2902 -1.2902 -1.1581 -1.1581 -0.9414 -0.9414 1.1562 1.1562 1.2066 1.2066 1.3132 1.3132 1.5035 1.5035 1.5292 1.5292 1.6110 1.6110 4.0090 4.0090 5.0202 5.0202 5.0618 5.0618 5.1124 5.1124 5.4578 5.4578 5.5077 5.5077 5.6206 5.6206 5.8995 5.8995 6.1903 6.1903 6.7737 6.7737 k = 0.1786 0.1786-0.0000 ( 5531 PWs) bands (ev): -24.2825 -24.2825 -18.1226 -18.1226 -17.8969 -17.8969 -17.8703 -17.8703 -15.9339 -15.9339 -15.9279 -15.9279 -15.8921 -15.8921 -8.0437 -8.0437 -7.8503 -7.8503 -7.7585 -7.7585 -7.4394 -7.4394 -7.4172 -7.4172 -7.1220 -7.1220 -3.3657 -3.3657 -3.3044 -3.3044 -2.9540 -2.9540 -2.9243 -2.9243 -2.7425 -2.7425 -2.6790 -2.6790 -2.6424 -2.6424 -2.6014 -2.6014 -2.1647 -2.1647 -2.1357 -2.1357 -1.8629 -1.8629 -1.2727 -1.2727 -1.1471 -1.1471 -0.9565 -0.9565 1.1629 1.1629 1.2092 1.2092 1.3014 1.3014 1.5186 1.5186 1.5378 1.5378 1.6132 1.6132 3.9448 3.9448 5.0108 5.0108 5.0489 5.0489 5.0967 5.0967 5.4708 5.4708 5.5130 5.5130 5.6197 5.6197 5.8880 5.8880 6.1496 6.1496 6.7264 6.7264 k = 0.1667 0.1667-0.0000 ( 5533 PWs) bands (ev): -24.2826 -24.2826 -18.1283 -18.1283 -17.8946 -17.8946 -17.8709 -17.8709 -15.9290 -15.9290 -15.9236 -15.9236 -15.8921 -15.8921 -8.0382 -8.0382 -7.8432 -7.8432 -7.7574 -7.7574 -7.4579 -7.4579 -7.4380 -7.4380 -7.1427 -7.1427 -3.3537 -3.3537 -3.2984 -3.2984 -2.9180 -2.9180 -2.8945 -2.8945 -2.7232 -2.7232 -2.6649 -2.6649 -2.6383 -2.6383 -2.6020 -2.6020 -2.1719 -2.1719 -2.1452 -2.1452 -1.8966 -1.8966 -1.2544 -1.2544 -1.1368 -1.1368 -0.9706 -0.9706 1.1690 1.1690 1.2110 1.2110 1.2899 1.2899 1.5322 1.5322 1.5470 1.5470 1.6153 1.6153 3.8821 3.8821 5.0021 5.0021 5.0370 5.0370 5.0815 5.0815 5.4838 5.4838 5.5190 5.5190 5.6188 5.6188 5.8765 5.8765 6.1096 6.1096 6.6807 6.6807 k = 0.1548 0.1548-0.0000 ( 5539 PWs) bands (ev): -24.2827 -24.2827 -18.1336 -18.1336 -17.8925 -17.8925 -17.8716 -17.8716 -15.9243 -15.9243 -15.9195 -15.9195 -15.8921 -15.8921 -8.0327 -8.0327 -7.8354 -7.8354 -7.7560 -7.7560 -7.4769 -7.4769 -7.4574 -7.4574 -7.1628 -7.1628 -3.3422 -3.3422 -3.2929 -3.2929 -2.8838 -2.8838 -2.8664 -2.8664 -2.7030 -2.7030 -2.6546 -2.6546 -2.6312 -2.6312 -2.6021 -2.6021 -2.1788 -2.1788 -2.1544 -2.1544 -1.9303 -1.9303 -1.2355 -1.2355 -1.1270 -1.1270 -0.9837 -0.9837 1.1743 1.1743 1.2121 1.2121 1.2789 1.2789 1.5443 1.5443 1.5569 1.5569 1.6174 1.6174 3.8214 3.8214 4.9941 4.9941 5.0261 5.0261 5.0669 5.0669 5.4968 5.4968 5.5256 5.5256 5.6178 5.6178 5.8650 5.8650 6.0704 6.0704 6.6369 6.6369 k = 0.1429 0.1429-0.0000 ( 5529 PWs) bands (ev): -24.2828 -24.2828 -18.1386 -18.1386 -17.8904 -17.8904 -17.8723 -17.8723 -15.9199 -15.9199 -15.9157 -15.9157 -15.8922 -15.8922 -8.0272 -8.0272 -7.8271 -7.8271 -7.7543 -7.7543 -7.4959 -7.4959 -7.4757 -7.4757 -7.1822 -7.1822 -3.3312 -3.3312 -3.2879 -3.2879 -2.8516 -2.8516 -2.8399 -2.8399 -2.6825 -2.6825 -2.6481 -2.6481 -2.6220 -2.6220 -2.6007 -2.6007 -2.1854 -2.1854 -2.1632 -2.1632 -1.9637 -1.9637 -1.2164 -1.2164 -1.1180 -1.1180 -0.9957 -0.9957 1.1791 1.1791 1.2125 1.2125 1.2684 1.2684 1.5549 1.5549 1.5670 1.5670 1.6195 1.6195 3.7631 3.7631 4.9869 4.9869 5.0163 5.0163 5.0530 5.0530 5.5097 5.5097 5.5328 5.5328 5.6168 5.6168 5.8537 5.8537 6.0324 6.0324 6.5953 6.5953 k = 0.1310 0.1310-0.0000 ( 5529 PWs) bands (ev): -24.2829 -24.2829 -18.1432 -18.1432 -17.8884 -17.8884 -17.8730 -17.8730 -15.9157 -15.9157 -15.9121 -15.9121 -15.8922 -15.8922 -8.0218 -8.0218 -7.8182 -7.8182 -7.7523 -7.7523 -7.5144 -7.5144 -7.4933 -7.4933 -7.2007 -7.2007 -3.3208 -3.3208 -3.2834 -3.2834 -2.8218 -2.8218 -2.8141 -2.8141 -2.6634 -2.6634 -2.6425 -2.6425 -2.6154 -2.6154 -2.5954 -2.5954 -2.1915 -2.1915 -2.1717 -2.1717 -1.9966 -1.9966 -1.1973 -1.1973 -1.1096 -1.1096 -1.0067 -1.0067 1.1832 1.1832 1.2124 1.2124 1.2584 1.2584 1.5645 1.5645 1.5769 1.5769 1.6216 1.6216 3.7076 3.7076 4.9804 4.9804 5.0075 5.0075 5.0400 5.0400 5.5223 5.5223 5.5404 5.5404 5.6158 5.6158 5.8425 5.8425 5.9959 5.9959 6.5560 6.5560 k = 0.1190 0.1190-0.0000 ( 5537 PWs) bands (ev): -24.2829 -24.2829 -18.1475 -18.1475 -17.8866 -17.8866 -17.8736 -17.8736 -15.9118 -15.9118 -15.9088 -15.9088 -15.8922 -15.8922 -8.0166 -8.0166 -7.8089 -7.8089 -7.7500 -7.7500 -7.5322 -7.5322 -7.5104 -7.5104 -7.2183 -7.2183 -3.3111 -3.3111 -3.2794 -3.2794 -2.7952 -2.7952 -2.7882 -2.7882 -2.6503 -2.6503 -2.6325 -2.6325 -2.6129 -2.6129 -2.5861 -2.5861 -2.1973 -2.1973 -2.1797 -2.1797 -2.0287 -2.0287 -1.1784 -1.1784 -1.1018 -1.1018 -1.0167 -1.0167 1.1868 1.1868 1.2119 1.2119 1.2492 1.2492 1.5735 1.5735 1.5859 1.5859 1.6237 1.6237 3.6555 3.6555 4.9746 4.9746 4.9998 4.9998 5.0279 5.0279 5.5345 5.5345 5.5483 5.5483 5.6148 5.6148 5.8314 5.8314 5.9611 5.9611 6.5192 6.5192 k = 0.1071 0.1071-0.0000 ( 5543 PWs) bands (ev): -24.2830 -24.2830 -18.1514 -18.1514 -17.8849 -17.8849 -17.8742 -17.8742 -15.9082 -15.9082 -15.9057 -15.9057 -15.8922 -15.8922 -8.0115 -8.0115 -7.7993 -7.7993 -7.7475 -7.7475 -7.5490 -7.5490 -7.5271 -7.5271 -7.2347 -7.2347 -3.3021 -3.3021 -3.2759 -3.2759 -2.7715 -2.7715 -2.7623 -2.7623 -2.6448 -2.6448 -2.6188 -2.6188 -2.6102 -2.6102 -2.5758 -2.5758 -2.2026 -2.2026 -2.1872 -2.1872 -2.0597 -2.0597 -1.1601 -1.1601 -1.0948 -1.0948 -1.0256 -1.0256 1.1898 1.1898 1.2109 1.2109 1.2406 1.2406 1.5818 1.5818 1.5939 1.5939 1.6258 1.6258 3.6069 3.6069 4.9694 4.9694 4.9930 4.9930 5.0167 5.0167 5.5462 5.5462 5.5563 5.5563 5.6139 5.6139 5.8208 5.8208 5.9282 5.9282 6.4852 6.4852 k = 0.0952 0.0952-0.0000 ( 5539 PWs) bands (ev): -24.2830 -24.2830 -18.1550 -18.1550 -17.8833 -17.8833 -17.8748 -17.8748 -15.9050 -15.9050 -15.9030 -15.9030 -15.8922 -15.8922 -8.0067 -8.0067 -7.7893 -7.7893 -7.7446 -7.7446 -7.5647 -7.5647 -7.5434 -7.5434 -7.2499 -7.2499 -3.2939 -3.2939 -3.2728 -3.2728 -2.7491 -2.7491 -2.7376 -2.7376 -2.6416 -2.6416 -2.6154 -2.6154 -2.5972 -2.5972 -2.5662 -2.5662 -2.2074 -2.2074 -2.1940 -2.1940 -2.0893 -2.0893 -1.1427 -1.1427 -1.0885 -1.0885 -1.0335 -1.0335 1.1924 1.1924 1.2097 1.2097 1.2328 1.2328 1.5894 1.5894 1.6007 1.6007 1.6281 1.6281 3.5625 3.5625 4.9648 4.9648 4.9873 4.9873 5.0067 5.0067 5.5573 5.5573 5.5645 5.5645 5.6130 5.6130 5.8106 5.8106 5.8976 5.8976 6.4540 6.4540 k = 0.0833 0.0833-0.0000 ( 5541 PWs) bands (ev): -24.2831 -24.2831 -18.1581 -18.1581 -17.8819 -17.8819 -17.8753 -17.8753 -15.9021 -15.9021 -15.9005 -15.9005 -15.8923 -15.8923 -8.0021 -8.0021 -7.7791 -7.7791 -7.7415 -7.7415 -7.5792 -7.5792 -7.5593 -7.5593 -7.2637 -7.2637 -3.2865 -3.2865 -3.2701 -3.2701 -2.7277 -2.7277 -2.7147 -2.7147 -2.6391 -2.6391 -2.6159 -2.6159 -2.5824 -2.5824 -2.5581 -2.5581 -2.2118 -2.2118 -2.2002 -2.2002 -2.1171 -2.1171 -1.1266 -1.1266 -1.0828 -1.0828 -1.0403 -1.0403 1.1945 1.1945 1.2084 1.2084 1.2259 1.2259 1.5963 1.5963 1.6063 1.6063 1.6306 1.6306 3.5224 3.5224 4.9607 4.9607 4.9825 4.9825 4.9978 4.9978 5.5676 5.5676 5.5728 5.5728 5.6122 5.6122 5.8010 5.8010 5.8693 5.8693 6.4260 6.4260 k = 0.0714 0.0714-0.0000 ( 5527 PWs) bands (ev): -24.2831 -24.2831 -18.1609 -18.1609 -17.8807 -17.8807 -17.8758 -17.8758 -15.8995 -15.8995 -15.8984 -15.8984 -15.8923 -15.8923 -7.9979 -7.9979 -7.7687 -7.7687 -7.7382 -7.7382 -7.5924 -7.5924 -7.5746 -7.5746 -7.2759 -7.2759 -3.2800 -3.2800 -3.2677 -3.2677 -2.7070 -2.7070 -2.6938 -2.6938 -2.6368 -2.6368 -2.6168 -2.6168 -2.5695 -2.5695 -2.5515 -2.5515 -2.2156 -2.2156 -2.2055 -2.2055 -2.1426 -2.1426 -1.1121 -1.1121 -1.0778 -1.0778 -1.0460 -1.0460 1.1961 1.1961 1.2071 1.2071 1.2198 1.2198 1.6025 1.6025 1.6107 1.6107 1.6332 1.6332 3.4869 3.4869 4.9569 4.9569 4.9786 4.9786 4.9901 4.9901 5.5769 5.5769 5.5810 5.5810 5.6115 5.6115 5.7921 5.7921 5.8438 5.8438 6.4012 6.4012 k = 0.0595 0.0595-0.0000 ( 5517 PWs) bands (ev): -24.2832 -24.2832 -18.1632 -18.1632 -17.8796 -17.8796 -17.8762 -17.8762 -15.8973 -15.8973 -15.8965 -15.8965 -15.8923 -15.8923 -7.9942 -7.9942 -7.7584 -7.7584 -7.7347 -7.7347 -7.6041 -7.6041 -7.5892 -7.5892 -7.2866 -7.2866 -3.2743 -3.2743 -3.2657 -3.2657 -2.6873 -2.6873 -2.6751 -2.6751 -2.6346 -2.6346 -2.6180 -2.6180 -2.5594 -2.5594 -2.5468 -2.5468 -2.2190 -2.2190 -2.2100 -2.2100 -2.1654 -2.1654 -1.0999 -1.0999 -1.0732 -1.0732 -1.0505 -1.0505 1.1972 1.1972 1.2058 1.2058 1.2147 1.2147 1.6077 1.6077 1.6139 1.6139 1.6359 1.6359 3.4565 3.4565 4.9536 4.9536 4.9756 4.9756 4.9837 4.9837 5.5853 5.5853 5.5889 5.5889 5.6109 5.6109 5.7841 5.7841 5.8211 5.8211 6.3799 6.3799 k = 0.0476 0.0476-0.0000 ( 5501 PWs) bands (ev): -24.2832 -24.2832 -18.1651 -18.1651 -17.8788 -17.8788 -17.8766 -17.8766 -15.8955 -15.8955 -15.8950 -15.8950 -15.8923 -15.8923 -7.9910 -7.9910 -7.7484 -7.7484 -7.7313 -7.7313 -7.6144 -7.6144 -7.6029 -7.6029 -7.2954 -7.2954 -3.2697 -3.2697 -3.2641 -3.2641 -2.6690 -2.6690 -2.6589 -2.6589 -2.6326 -2.6326 -2.6193 -2.6193 -2.5521 -2.5521 -2.5440 -2.5440 -2.2218 -2.2218 -2.2137 -2.2137 -2.1849 -2.1849 -1.0904 -1.0904 -1.0690 -1.0690 -1.0538 -1.0538 1.1979 1.1979 1.2048 1.2048 1.2106 1.2106 1.6121 1.6121 1.6163 1.6163 1.6383 1.6383 3.4313 3.4313 4.9507 4.9507 4.9733 4.9733 4.9785 4.9785 5.5927 5.5927 5.5959 5.5959 5.6105 5.6105 5.7771 5.7771 5.8016 5.8016 6.3622 6.3622 k = 0.0357 0.0357-0.0000 ( 5509 PWs) bands (ev): -24.2832 -24.2832 -18.1666 -18.1666 -17.8781 -17.8781 -17.8768 -17.8768 -15.8941 -15.8941 -15.8938 -15.8938 -15.8923 -15.8923 -7.9884 -7.9884 -7.7390 -7.7390 -7.7282 -7.7282 -7.6228 -7.6228 -7.6151 -7.6151 -7.3024 -7.3024 -3.2661 -3.2661 -3.2630 -3.2630 -2.6527 -2.6527 -2.6454 -2.6454 -2.6307 -2.6307 -2.6207 -2.6207 -2.5477 -2.5477 -2.5429 -2.5429 -2.2242 -2.2242 -2.2165 -2.2165 -2.2005 -2.2005 -1.0842 -1.0842 -1.0648 -1.0648 -1.0558 -1.0558 1.1980 1.1980 1.2042 1.2042 1.2075 1.2075 1.6155 1.6155 1.6179 1.6179 1.6405 1.6405 3.4114 3.4114 4.9483 4.9483 4.9716 4.9716 4.9746 4.9746 5.5990 5.5990 5.6017 5.6017 5.6103 5.6103 5.7714 5.7714 5.7857 5.7857 6.3482 6.3482 k = 0.0238 0.0238-0.0000 ( 5505 PWs) bands (ev): -24.2832 -24.2832 -18.1677 -18.1677 -17.8776 -17.8776 -17.8770 -17.8770 -15.8931 -15.8931 -15.8930 -15.8930 -15.8923 -15.8923 -7.9865 -7.9865 -7.7310 -7.7310 -7.7256 -7.7256 -7.6292 -7.6292 -7.6252 -7.6252 -7.3075 -7.3075 -3.2635 -3.2635 -3.2621 -3.2621 -2.6394 -2.6394 -2.6351 -2.6351 -2.6288 -2.6288 -2.6222 -2.6222 -2.5454 -2.5454 -2.5430 -2.5430 -2.2262 -2.2262 -2.2185 -2.2185 -2.2117 -2.2117 -1.0808 -1.0808 -1.0610 -1.0610 -1.0569 -1.0569 1.1976 1.1976 1.2039 1.2039 1.2054 1.2054 1.6179 1.6179 1.6190 1.6190 1.6421 1.6421 3.3971 3.3971 4.9465 4.9465 4.9705 4.9705 4.9718 4.9718 5.6039 5.6039 5.6058 5.6058 5.6105 5.6105 5.7672 5.7672 5.7737 5.7737 6.3381 6.3381 k = 0.0119 0.0119-0.0000 ( 5497 PWs) bands (ev): -24.2832 -24.2832 -18.1683 -18.1683 -17.8773 -17.8773 -17.8771 -17.8771 -15.8926 -15.8926 -15.8924 -15.8924 -15.8923 -15.8923 -7.9853 -7.9853 -7.7253 -7.7253 -7.7239 -7.7239 -7.6332 -7.6332 -7.6321 -7.6321 -7.3106 -7.3106 -3.2619 -3.2619 -3.2615 -3.2615 -2.6304 -2.6304 -2.6286 -2.6286 -2.6271 -2.6271 -2.6237 -2.6237 -2.5445 -2.5445 -2.5438 -2.5438 -2.2279 -2.2279 -2.2196 -2.2196 -2.2181 -2.2181 -1.0793 -1.0793 -1.0583 -1.0583 -1.0573 -1.0573 1.1972 1.1972 1.2039 1.2039 1.2042 1.2042 1.6193 1.6193 1.6196 1.6196 1.6431 1.6431 3.3885 3.3885 4.9454 4.9454 4.9698 4.9698 4.9702 4.9702 5.6070 5.6070 5.6077 5.6077 5.6114 5.6114 5.7646 5.7646 5.7663 5.7663 6.3321 6.3321 k = 0.0000 0.0000 0.0000 ( 5497 PWs) bands (ev): -24.2832 -24.2832 -18.1686 -18.1686 -17.8772 -17.8772 -17.8772 -17.8772 -15.8924 -15.8924 -15.8923 -15.8923 -15.8923 -15.8923 -7.9849 -7.9849 -7.7232 -7.7232 -7.7232 -7.7232 -7.6346 -7.6346 -7.6346 -7.6346 -7.3116 -7.3116 -3.2614 -3.2614 -3.2614 -3.2614 -2.6271 -2.6271 -2.6260 -2.6260 -2.6260 -2.6260 -2.6251 -2.6251 -2.5443 -2.5443 -2.5443 -2.5443 -2.2287 -2.2287 -2.2200 -2.2200 -2.2200 -2.2200 -1.0789 -1.0789 -1.0574 -1.0574 -1.0574 -1.0574 1.1971 1.1971 1.2039 1.2039 1.2039 1.2039 1.6198 1.6198 1.6198 1.6198 1.6435 1.6435 3.3856 3.3856 4.9450 4.9450 4.9696 4.9696 4.9696 4.9696 5.6081 5.6081 5.6081 5.6081 5.6120 5.6120 5.7637 5.7637 5.7637 5.7637 6.3300 6.3300 k = 0.0000 0.0000 0.0000 ( 5497 PWs) bands (ev): -24.2832 -24.2832 -18.1686 -18.1686 -17.8772 -17.8772 -17.8772 -17.8772 -15.8924 -15.8924 -15.8923 -15.8923 -15.8923 -15.8923 -7.9849 -7.9849 -7.7232 -7.7232 -7.7232 -7.7232 -7.6346 -7.6346 -7.6346 -7.6346 -7.3116 -7.3116 -3.2614 -3.2614 -3.2614 -3.2614 -2.6271 -2.6271 -2.6260 -2.6260 -2.6260 -2.6260 -2.6251 -2.6251 -2.5443 -2.5443 -2.5443 -2.5443 -2.2287 -2.2287 -2.2200 -2.2200 -2.2200 -2.2200 -1.0789 -1.0789 -1.0574 -1.0574 -1.0574 -1.0574 1.1971 1.1971 1.2039 1.2039 1.2039 1.2039 1.6198 1.6198 1.6198 1.6198 1.6435 1.6435 3.3856 3.3856 4.9450 4.9450 4.9696 4.9696 4.9696 4.9696 5.6081 5.6081 5.6081 5.6081 5.6120 5.6120 5.7637 5.7637 5.7637 5.7637 6.3300 6.3300 k = 0.0096 0.0096 0.0096 ( 5497 PWs) bands (ev): -24.2832 -24.2832 -18.1683 -18.1683 -17.8772 -17.8772 -17.8772 -17.8772 -15.8925 -15.8925 -15.8924 -15.8924 -15.8924 -15.8924 -7.9853 -7.9853 -7.7249 -7.7249 -7.7242 -7.7242 -7.6331 -7.6331 -7.6322 -7.6322 -7.3106 -7.3106 -3.2617 -3.2617 -3.2617 -3.2617 -2.6299 -2.6299 -2.6282 -2.6282 -2.6275 -2.6275 -2.6240 -2.6240 -2.5442 -2.5442 -2.5441 -2.5441 -2.2280 -2.2280 -2.2194 -2.2194 -2.2183 -2.2183 -1.0793 -1.0793 -1.0583 -1.0583 -1.0572 -1.0572 1.1972 1.1972 1.2039 1.2039 1.2042 1.2042 1.6193 1.6193 1.6196 1.6196 1.6431 1.6431 3.3884 3.3884 4.9454 4.9454 4.9700 4.9700 4.9700 4.9700 5.6074 5.6074 5.6075 5.6075 5.6113 5.6113 5.7654 5.7654 5.7654 5.7654 6.3320 6.3320 k = 0.0192 0.0192 0.0192 ( 5506 PWs) bands (ev): -24.2832 -24.2832 -18.1677 -18.1677 -17.8773 -17.8773 -17.8773 -17.8773 -15.8929 -15.8929 -15.8928 -15.8928 -15.8927 -15.8927 -7.9864 -7.9864 -7.7294 -7.7294 -7.7271 -7.7271 -7.6288 -7.6288 -7.6257 -7.6257 -7.3076 -7.3076 -3.2628 -3.2628 -3.2627 -3.2627 -2.6364 -2.6364 -2.6345 -2.6345 -2.6309 -2.6309 -2.6237 -2.6237 -2.5441 -2.5441 -2.5440 -2.5440 -2.2268 -2.2268 -2.2166 -2.2166 -2.2132 -2.2132 -1.0809 -1.0809 -1.0609 -1.0609 -1.0568 -1.0568 1.1976 1.1976 1.2040 1.2040 1.2053 1.2053 1.6178 1.6178 1.6191 1.6191 1.6421 1.6421 3.3969 3.3969 4.9465 4.9465 4.9710 4.9710 4.9712 4.9712 5.6053 5.6053 5.6057 5.6057 5.6093 5.6093 5.7703 5.7703 5.7704 5.7704 6.3380 6.3380 k = 0.0288 0.0288 0.0288 ( 5503 PWs) bands (ev): -24.2832 -24.2832 -18.1667 -18.1667 -17.8774 -17.8774 -17.8774 -17.8774 -15.8936 -15.8936 -15.8935 -15.8935 -15.8932 -15.8932 -7.9883 -7.9883 -7.7358 -7.7358 -7.7314 -7.7314 -7.6221 -7.6221 -7.6160 -7.6160 -7.3027 -7.3027 -3.2645 -3.2645 -3.2643 -3.2643 -2.6455 -2.6455 -2.6440 -2.6440 -2.6365 -2.6365 -2.6239 -2.6239 -2.5446 -2.5446 -2.5445 -2.5445 -2.2269 -2.2269 -2.2100 -2.2100 -2.2049 -2.2049 -1.0849 -1.0849 -1.0635 -1.0635 -1.0561 -1.0561 1.1977 1.1977 1.2047 1.2047 1.2072 1.2072 1.6152 1.6152 1.6182 1.6182 1.6405 1.6405 3.4109 3.4109 4.9484 4.9484 4.9728 4.9728 4.9731 4.9731 5.6021 5.6021 5.6028 5.6028 5.6064 5.6064 5.7783 5.7783 5.7784 5.7784 6.3478 6.3478 k = 0.0385 0.0385 0.0385 ( 5503 PWs) bands (ev): -24.2832 -24.2832 -18.1652 -18.1652 -17.8777 -17.8777 -17.8776 -17.8776 -15.8945 -15.8945 -15.8944 -15.8944 -15.8939 -15.8939 -7.9908 -7.9908 -7.7432 -7.7432 -7.7367 -7.7367 -7.6132 -7.6132 -7.6040 -7.6040 -7.2959 -7.2959 -3.2670 -3.2670 -3.2666 -3.2666 -2.6567 -2.6567 -2.6560 -2.6560 -2.6442 -2.6442 -2.6246 -2.6246 -2.5464 -2.5464 -2.5464 -2.5464 -2.2284 -2.2284 -2.1996 -2.1996 -2.1934 -2.1934 -1.0928 -1.0928 -1.0647 -1.0647 -1.0551 -1.0551 1.1971 1.1971 1.2063 1.2063 1.2097 1.2097 1.6115 1.6115 1.6170 1.6170 1.6385 1.6385 3.4303 3.4303 4.9511 4.9511 4.9753 4.9753 4.9758 4.9758 5.5980 5.5980 5.5990 5.5990 5.6025 5.6025 5.7890 5.7890 5.7891 5.7891 6.3614 6.3614 k = 0.0481 0.0481 0.0481 ( 5524 PWs) bands (ev): -24.2832 -24.2832 -18.1633 -18.1633 -17.8779 -17.8779 -17.8779 -17.8779 -15.8956 -15.8956 -15.8956 -15.8956 -15.8948 -15.8948 -7.9938 -7.9938 -7.7510 -7.7510 -7.7429 -7.7429 -7.6027 -7.6027 -7.5903 -7.5903 -7.2875 -7.2875 -3.2702 -3.2702 -3.2696 -3.2696 -2.6697 -2.6697 -2.6695 -2.6695 -2.6542 -2.6542 -2.6258 -2.6258 -2.5502 -2.5502 -2.5499 -2.5499 -2.2307 -2.2307 -2.1862 -2.1862 -2.1790 -2.1790 -1.1044 -1.1044 -1.0644 -1.0644 -1.0538 -1.0538 1.1955 1.1955 1.2089 1.2089 1.2129 1.2129 1.6065 1.6065 1.6154 1.6154 1.6359 1.6359 3.4551 3.4551 4.9546 4.9546 4.9785 4.9785 4.9793 4.9793 5.5933 5.5933 5.5944 5.5944 5.5979 5.5979 5.8021 5.8021 5.8022 5.8022 6.3786 6.3786 k = 0.0577 0.0577 0.0577 ( 5524 PWs) bands (ev): -24.2831 -24.2831 -18.1610 -18.1610 -17.8782 -17.8782 -17.8782 -17.8782 -15.8971 -15.8971 -15.8970 -15.8970 -15.8959 -15.8959 -7.9973 -7.9973 -7.7587 -7.7587 -7.7494 -7.7494 -7.5906 -7.5906 -7.5754 -7.5754 -7.2775 -7.2775 -3.2739 -3.2739 -3.2731 -3.2731 -2.6846 -2.6846 -2.6835 -2.6835 -2.6662 -2.6662 -2.6271 -2.6271 -2.5560 -2.5560 -2.5553 -2.5553 -2.2339 -2.2339 -2.1701 -2.1701 -2.1620 -2.1620 -1.1191 -1.1191 -1.0629 -1.0629 -1.0522 -1.0522 1.1932 1.1932 1.2123 1.2123 1.2168 1.2168 1.6002 1.6002 1.6135 1.6135 1.6331 1.6331 3.4851 3.4851 4.9589 4.9589 4.9826 4.9826 4.9835 4.9835 5.5882 5.5882 5.5893 5.5893 5.5928 5.5928 5.8174 5.8174 5.8175 5.8175 6.3993 6.3993 k = 0.0673 0.0673 0.0673 ( 5539 PWs) bands (ev): -24.2831 -24.2831 -18.1583 -18.1583 -17.8786 -17.8786 -17.8786 -17.8786 -15.8988 -15.8988 -15.8987 -15.8987 -15.8972 -15.8972 -8.0011 -8.0011 -7.7662 -7.7662 -7.7563 -7.7563 -7.5772 -7.5772 -7.5594 -7.5594 -7.2661 -7.2661 -3.2783 -3.2783 -3.2773 -3.2773 -2.7004 -2.7004 -2.6983 -2.6983 -2.6804 -2.6804 -2.6288 -2.6288 -2.5640 -2.5640 -2.5627 -2.5627 -2.2380 -2.2380 -2.1515 -2.1515 -2.1426 -2.1426 -1.1361 -1.1361 -1.0606 -1.0606 -1.0502 -1.0502 1.1901 1.1901 1.2164 1.2164 1.2212 1.2212 1.5925 1.5925 1.6111 1.6111 1.6299 1.6299 3.5199 3.5199 4.9641 4.9641 4.9876 4.9876 4.9886 4.9886 5.5829 5.5829 5.5838 5.5838 5.5873 5.5873 5.8347 5.8347 5.8348 5.8348 6.4232 6.4232 k = 0.0769 0.0769 0.0769 ( 5545 PWs) bands (ev): -24.2831 -24.2831 -18.1552 -18.1552 -17.8790 -17.8790 -17.8790 -17.8790 -15.9007 -15.9007 -15.9006 -15.9006 -15.8987 -15.8987 -8.0051 -8.0051 -7.7733 -7.7733 -7.7633 -7.7633 -7.5627 -7.5627 -7.5426 -7.5426 -7.2534 -7.2534 -3.2834 -3.2834 -3.2820 -3.2820 -2.7168 -2.7168 -2.7138 -2.7138 -2.6965 -2.6965 -2.6308 -2.6308 -2.5740 -2.5740 -2.5719 -2.5719 -2.2430 -2.2430 -2.1309 -2.1309 -2.1211 -2.1211 -1.1550 -1.1550 -1.0577 -1.0577 -1.0478 -1.0478 1.1861 1.1861 1.2211 1.2211 1.2262 1.2262 1.5836 1.5836 1.6084 1.6084 1.6264 1.6264 3.5595 3.5595 4.9702 4.9702 4.9935 4.9935 4.9946 4.9946 5.5776 5.5776 5.5779 5.5779 5.5816 5.5816 5.8536 5.8536 5.8537 5.8537 6.4502 6.4502 k = 0.0865 0.0865 0.0865 ( 5536 PWs) bands (ev): -24.2830 -24.2830 -18.1517 -18.1517 -17.8795 -17.8795 -17.8794 -17.8794 -15.9028 -15.9028 -15.9028 -15.9028 -15.9004 -15.9004 -8.0093 -8.0093 -7.7799 -7.7799 -7.7702 -7.7702 -7.5470 -7.5470 -7.5251 -7.5251 -7.2397 -7.2397 -3.2889 -3.2889 -3.2873 -3.2873 -2.7337 -2.7337 -2.7297 -2.7297 -2.7144 -2.7144 -2.6333 -2.6333 -2.5859 -2.5859 -2.5826 -2.5826 -2.2492 -2.2492 -2.1083 -2.1083 -2.0979 -2.0979 -1.1753 -1.1753 -1.0541 -1.0541 -1.0450 -1.0450 1.1812 1.1812 1.2262 1.2262 1.2316 1.2316 1.5734 1.5734 1.6052 1.6052 1.6226 1.6226 3.6036 3.6036 4.9773 4.9773 5.0005 5.0005 5.0013 5.0013 5.5715 5.5715 5.5723 5.5723 5.5760 5.5760 5.8742 5.8742 5.8743 5.8743 6.4800 6.4800 k = 0.0962 0.0962 0.0962 ( 5539 PWs) bands (ev): -24.2829 -24.2829 -18.1478 -18.1478 -17.8800 -17.8800 -17.8799 -17.8799 -15.9052 -15.9052 -15.9052 -15.9052 -15.9023 -15.9023 -8.0135 -8.0135 -7.7860 -7.7860 -7.7770 -7.7770 -7.5304 -7.5304 -7.5068 -7.5068 -7.2250 -7.2250 -3.2950 -3.2950 -3.2932 -3.2932 -2.7509 -2.7509 -2.7463 -2.7463 -2.7342 -2.7342 -2.6364 -2.6364 -2.5995 -2.5995 -2.5945 -2.5945 -2.2565 -2.2565 -2.0841 -2.0841 -2.0731 -2.0731 -1.1964 -1.1964 -1.0500 -1.0500 -1.0418 -1.0418 1.1753 1.1753 1.2318 1.2318 1.2375 1.2375 1.5621 1.5621 1.6016 1.6016 1.6185 1.6185 3.6518 3.6518 4.9853 4.9853 5.0085 5.0085 5.0089 5.0089 5.5647 5.5647 5.5670 5.5670 5.5706 5.5706 5.8962 5.8962 5.8963 5.8963 6.5125 6.5125 k = 0.1058 0.1058 0.1058 ( 5533 PWs) bands (ev): -24.2829 -24.2829 -18.1436 -18.1436 -17.8805 -17.8805 -17.8804 -17.8804 -15.9079 -15.9079 -15.9078 -15.9078 -15.9044 -15.9044 -8.0177 -8.0177 -7.7915 -7.7915 -7.7835 -7.7835 -7.5129 -7.5129 -7.4880 -7.4880 -7.2095 -7.2095 -3.3016 -3.3016 -3.2996 -3.2996 -2.7685 -2.7685 -2.7636 -2.7636 -2.7555 -2.7555 -2.6409 -2.6409 -2.6146 -2.6146 -2.6064 -2.6064 -2.2653 -2.2653 -2.0586 -2.0586 -2.0469 -2.0469 -1.2180 -1.2180 -1.0453 -1.0453 -1.0381 -1.0381 1.1683 1.1683 1.2377 1.2377 1.2437 1.2437 1.5496 1.5496 1.5975 1.5975 1.6139 1.6139 3.7038 3.7038 4.9943 4.9943 5.0174 5.0174 5.0177 5.0177 5.5576 5.5576 5.5618 5.5618 5.5654 5.5654 5.9196 5.9196 5.9196 5.9196 6.5474 6.5474 k = 0.1154 0.1154 0.1154 ( 5539 PWs) bands (ev): -24.2828 -24.2828 -18.1390 -18.1390 -17.8811 -17.8811 -17.8810 -17.8810 -15.9107 -15.9107 -15.9106 -15.9106 -15.9067 -15.9067 -8.0218 -8.0218 -7.7964 -7.7964 -7.7898 -7.7898 -7.4945 -7.4945 -7.4687 -7.4687 -7.1933 -7.1933 -3.3088 -3.3088 -3.3065 -3.3065 -2.7866 -2.7866 -2.7829 -2.7829 -2.7771 -2.7771 -2.6479 -2.6479 -2.6309 -2.6309 -2.6171 -2.6171 -2.2755 -2.2755 -2.0318 -2.0318 -2.0197 -2.0197 -1.2397 -1.2397 -1.0401 -1.0401 -1.0339 -1.0339 1.1600 1.1600 1.2439 1.2439 1.2501 1.2501 1.5363 1.5363 1.5930 1.5930 1.6089 1.6089 3.7592 3.7592 5.0043 5.0043 5.0267 5.0267 5.0282 5.0282 5.5504 5.5504 5.5568 5.5568 5.5605 5.5605 5.9440 5.9440 5.9441 5.9441 6.5846 6.5846 k = 0.1250 0.1250 0.1250 ( 5533 PWs) bands (ev): -24.2827 -24.2827 -18.1340 -18.1340 -17.8817 -17.8817 -17.8816 -17.8816 -15.9138 -15.9138 -15.9137 -15.9137 -15.9092 -15.9092 -8.0257 -8.0257 -7.8007 -7.8007 -7.7957 -7.7957 -7.4754 -7.4754 -7.4488 -7.4488 -7.1766 -7.1766 -3.3164 -3.3164 -3.3138 -3.3138 -2.8062 -2.8062 -2.8052 -2.8052 -2.7969 -2.7969 -2.6586 -2.6586 -2.6481 -2.6481 -2.6249 -2.6249 -2.2873 -2.2873 -2.0041 -2.0041 -1.9916 -1.9916 -1.2610 -1.2610 -1.0342 -1.0342 -1.0291 -1.0291 1.1504 1.1504 1.2503 1.2503 1.2568 1.2568 1.5221 1.5221 1.5879 1.5879 1.6034 1.6034 3.8178 3.8178 5.0153 5.0153 5.0368 5.0368 5.0402 5.0402 5.5432 5.5432 5.5520 5.5520 5.5558 5.5558 5.9696 5.9696 5.9697 5.9697 6.6237 6.6237 k = 0.1346 0.1346 0.1346 ( 5515 PWs) bands (ev): -24.2826 -24.2826 -18.1287 -18.1287 -17.8824 -17.8824 -17.8823 -17.8823 -15.9170 -15.9170 -15.9169 -15.9169 -15.9118 -15.9118 -8.0294 -8.0294 -7.8043 -7.8043 -7.8012 -7.8012 -7.4557 -7.4557 -7.4285 -7.4285 -7.1594 -7.1594 -3.3243 -3.3243 -3.3215 -3.3215 -2.8323 -2.8323 -2.8244 -2.8244 -2.8163 -2.8163 -2.6724 -2.6724 -2.6658 -2.6658 -2.6299 -2.6299 -2.3009 -2.3009 -1.9754 -1.9754 -1.9627 -1.9627 -1.2815 -1.2815 -1.0277 -1.0277 -1.0237 -1.0237 1.1394 1.1394 1.2568 1.2568 1.2636 1.2636 1.5072 1.5072 1.5824 1.5824 1.5975 1.5975 3.8791 3.8791 5.0272 5.0272 5.0478 5.0478 5.0537 5.0537 5.5361 5.5361 5.5474 5.5474 5.5513 5.5513 5.9961 5.9961 5.9963 5.9963 6.6647 6.6647 k = 0.1442 0.1442 0.1442 ( 5521 PWs) bands (ev): -24.2825 -24.2825 -18.1231 -18.1231 -17.8831 -17.8831 -17.8829 -17.8829 -15.9205 -15.9205 -15.9204 -15.9204 -15.9147 -15.9147 -8.0328 -8.0328 -7.8074 -7.8074 -7.8062 -7.8062 -7.4353 -7.4353 -7.4078 -7.4078 -7.1419 -7.1419 -3.3328 -3.3328 -3.3298 -3.3298 -2.8600 -2.8600 -2.8445 -2.8445 -2.8365 -2.8365 -2.6879 -2.6879 -2.6838 -2.6838 -2.6335 -2.6335 -2.3163 -2.3163 -1.9461 -1.9461 -1.9332 -1.9332 -1.3009 -1.3009 -1.0206 -1.0206 -1.0176 -1.0176 1.1268 1.1268 1.2633 1.2633 1.2704 1.2704 1.4917 1.4917 1.5763 1.5763 1.5911 1.5911 3.9427 3.9427 5.0399 5.0399 5.0596 5.0596 5.0691 5.0691 5.5291 5.5291 5.5430 5.5430 5.5470 5.5470 6.0234 6.0234 6.0238 6.0238 6.7074 6.7074 k = 0.1538 0.1538 0.1538 ( 5533 PWs) bands (ev): -24.2824 -24.2824 -18.1172 -18.1172 -17.8838 -17.8838 -17.8836 -17.8836 -15.9241 -15.9241 -15.9240 -15.9240 -15.9178 -15.9178 -8.0359 -8.0359 -7.8107 -7.8107 -7.8099 -7.8099 -7.4143 -7.4143 -7.3867 -7.3867 -7.1241 -7.1241 -3.3416 -3.3416 -3.3384 -3.3384 -2.8892 -2.8892 -2.8658 -2.8658 -2.8579 -2.8579 -2.7040 -2.7040 -2.7016 -2.7016 -2.6363 -2.6363 -2.3336 -2.3336 -1.9162 -1.9162 -1.9032 -1.9032 -1.3189 -1.3189 -1.0128 -1.0128 -1.0110 -1.0110 1.1126 1.1126 1.2697 1.2697 1.2772 1.2772 1.4758 1.4758 1.5697 1.5697 1.5841 1.5841 4.0081 4.0081 5.0534 5.0534 5.0722 5.0722 5.0864 5.0864 5.5224 5.5224 5.5388 5.5388 5.5431 5.5431 6.0514 6.0514 6.0519 6.0519 6.7514 6.7514 k = 0.1635 0.1635 0.1635 ( 5521 PWs) bands (ev): -24.2823 -24.2823 -18.1109 -18.1109 -17.8845 -17.8845 -17.8843 -17.8843 -15.9279 -15.9279 -15.9278 -15.9278 -15.9210 -15.9210 -8.0387 -8.0387 -7.8147 -7.8147 -7.8117 -7.8117 -7.3929 -7.3929 -7.3653 -7.3653 -7.1062 -7.1062 -3.3507 -3.3507 -3.3473 -3.3473 -2.9195 -2.9195 -2.8883 -2.8883 -2.8807 -2.8807 -2.7198 -2.7198 -2.7189 -2.7189 -2.6385 -2.6385 -2.3528 -2.3528 -1.8858 -1.8858 -1.8728 -1.8728 -1.3352 -1.3352 -1.0044 -1.0044 -1.0035 -1.0035 1.0967 1.0967 1.2761 1.2761 1.2838 1.2838 1.4595 1.4595 1.5625 1.5625 1.5766 1.5766 4.0749 4.0749 5.0676 5.0676 5.0856 5.0856 5.1061 5.1061 5.5160 5.5160 5.5350 5.5350 5.5394 5.5394 6.0801 6.0801 6.0807 6.0807 6.7968 6.7968 k = 0.1731 0.1731 0.1731 ( 5527 PWs) bands (ev): -24.2823 -24.2823 -18.1044 -18.1044 -17.8852 -17.8852 -17.8851 -17.8851 -15.9318 -15.9318 -15.9318 -15.9318 -15.9244 -15.9244 -8.0412 -8.0412 -7.8181 -7.8181 -7.8130 -7.8130 -7.3709 -7.3709 -7.3436 -7.3436 -7.0882 -7.0882 -3.3601 -3.3601 -3.3565 -3.3565 -2.9509 -2.9509 -2.9122 -2.9122 -2.9051 -2.9051 -2.7354 -2.7354 -2.7350 -2.7350 -2.6404 -2.6404 -2.3739 -2.3739 -1.8551 -1.8551 -1.8422 -1.8422 -1.3497 -1.3497 -0.9954 -0.9954 -0.9952 -0.9952 1.0791 1.0791 1.2822 1.2822 1.2903 1.2903 1.4431 1.4431 1.5547 1.5547 1.5685 1.5685 4.1427 4.1427 5.0824 5.0824 5.0998 5.0998 5.1280 5.1280 5.5101 5.5101 5.5315 5.5315 5.5361 5.5361 6.1092 6.1092 6.1100 6.1100 6.8432 6.8432 k = 0.1827 0.1827 0.1827 ( 5527 PWs) bands (ev): -24.2822 -24.2822 -18.0977 -18.0977 -17.8860 -17.8860 -17.8858 -17.8858 -15.9359 -15.9359 -15.9359 -15.9359 -15.9280 -15.9280 -8.0432 -8.0432 -7.8209 -7.8209 -7.8137 -7.8137 -7.3486 -7.3486 -7.3216 -7.3216 -7.0703 -7.0703 -3.3697 -3.3697 -3.3660 -3.3660 -2.9833 -2.9833 -2.9377 -2.9377 -2.9311 -2.9311 -2.7510 -2.7510 -2.7494 -2.7494 -2.6420 -2.6420 -2.3968 -2.3968 -1.8242 -1.8242 -1.8115 -1.8115 -1.3622 -1.3622 -0.9864 -0.9864 -0.9853 -0.9853 1.0598 1.0598 1.2880 1.2880 1.2965 1.2965 1.4265 1.4265 1.5464 1.5464 1.5599 1.5599 4.2108 4.2108 5.0978 5.0978 5.1146 5.1146 5.1526 5.1526 5.5046 5.5046 5.5283 5.5283 5.5331 5.5331 6.1387 6.1387 6.1397 6.1397 6.8906 6.8906 k = 0.1923 0.1923 0.1923 ( 5527 PWs) bands (ev): -24.2821 -24.2821 -18.0907 -18.0907 -17.8868 -17.8868 -17.8866 -17.8866 -15.9401 -15.9401 -15.9401 -15.9401 -15.9318 -15.9318 -8.0449 -8.0449 -7.8231 -7.8231 -7.8139 -7.8139 -7.3259 -7.3259 -7.2994 -7.2994 -7.0524 -7.0524 -3.3795 -3.3795 -3.3757 -3.3757 -3.0165 -3.0165 -2.9647 -2.9647 -2.9588 -2.9588 -2.7654 -2.7654 -2.7627 -2.7627 -2.6434 -2.6434 -2.4215 -2.4215 -1.7931 -1.7931 -1.7807 -1.7807 -1.3726 -1.3726 -0.9766 -0.9766 -0.9747 -0.9747 1.0387 1.0387 1.2935 1.2935 1.3023 1.3023 1.4099 1.4099 1.5374 1.5374 1.5507 1.5507 4.2789 4.2789 5.1139 5.1139 5.1301 5.1301 5.1801 5.1801 5.4996 5.4996 5.5255 5.5255 5.5305 5.5305 6.1684 6.1684 6.1696 6.1696 6.9387 6.9387 k = 0.2019 0.2019 0.2019 ( 5539 PWs) bands (ev): -24.2820 -24.2820 -18.0835 -18.0835 -17.8875 -17.8875 -17.8873 -17.8873 -15.9445 -15.9445 -15.9444 -15.9444 -15.9357 -15.9357 -8.0462 -8.0462 -7.8247 -7.8247 -7.8136 -7.8136 -7.3029 -7.3029 -7.2770 -7.2770 -7.0348 -7.0348 -3.3895 -3.3895 -3.3857 -3.3857 -3.0503 -3.0503 -2.9932 -2.9932 -2.9879 -2.9879 -2.7786 -2.7786 -2.7750 -2.7750 -2.6447 -2.6447 -2.4477 -2.4477 -1.7621 -1.7621 -1.7501 -1.7501 -1.3809 -1.3809 -0.9659 -0.9659 -0.9633 -0.9633 1.0160 1.0160 1.2985 1.2985 1.3076 1.3076 1.3933 1.3933 1.5280 1.5280 1.5410 1.5410 4.3463 4.3463 5.1304 5.1304 5.1462 5.1462 5.2106 5.2106 5.4953 5.4953 5.5230 5.5230 5.5283 5.5283 6.1981 6.1981 6.1996 6.1996 6.9873 6.9873 k = 0.2115 0.2115 0.2115 ( 5545 PWs) bands (ev): -24.2819 -24.2819 -18.0761 -18.0761 -17.8883 -17.8883 -17.8881 -17.8881 -15.9489 -15.9489 -15.9488 -15.9488 -15.9398 -15.9398 -8.0471 -8.0471 -7.8257 -7.8257 -7.8128 -7.8128 -7.2797 -7.2797 -7.2545 -7.2545 -7.0173 -7.0173 -3.3996 -3.3996 -3.3958 -3.3958 -3.0847 -3.0847 -3.0231 -3.0231 -3.0185 -3.0185 -2.7906 -2.7906 -2.7863 -2.7863 -2.6458 -2.6458 -2.4752 -2.4752 -1.7311 -1.7311 -1.7196 -1.7196 -1.3871 -1.3871 -0.9544 -0.9544 -0.9511 -0.9511 0.9918 0.9918 1.3029 1.3029 1.3124 1.3124 1.3768 1.3768 1.5180 1.5180 1.5308 1.5308 4.4124 4.4124 5.1475 5.1475 5.1629 5.1629 5.2443 5.2443 5.4916 5.4916 5.5210 5.5210 5.5265 5.5265 6.2279 6.2279 6.2296 6.2296 7.0363 7.0363 k = 0.2212 0.2212 0.2212 ( 5536 PWs) bands (ev): -24.2817 -24.2817 -18.0685 -18.0685 -17.8891 -17.8891 -17.8888 -17.8888 -15.9534 -15.9534 -15.9534 -15.9534 -15.9440 -15.9440 -8.0475 -8.0475 -7.8261 -7.8261 -7.8115 -7.8115 -7.2563 -7.2563 -7.2318 -7.2318 -7.0002 -7.0002 -3.4098 -3.4098 -3.4059 -3.4059 -3.1195 -3.1195 -3.0542 -3.0542 -3.0502 -3.0502 -2.8013 -2.8013 -2.7965 -2.7965 -2.6467 -2.6467 -2.5039 -2.5039 -1.7003 -1.7003 -1.6894 -1.6894 -1.3913 -1.3913 -0.9419 -0.9419 -0.9380 -0.9380 0.9661 0.9661 1.3066 1.3066 1.3166 1.3166 1.3603 1.3603 1.5075 1.5075 1.5201 1.5201 4.4767 4.4767 5.1651 5.1651 5.1801 5.1801 5.2815 5.2815 5.4887 5.4887 5.5194 5.5194 5.5252 5.5252 6.2576 6.2576 6.2596 6.2596 7.0856 7.0856 k = 0.2308 0.2308 0.2308 ( 5536 PWs) bands (ev): -24.2816 -24.2816 -18.0607 -18.0607 -17.8898 -17.8898 -17.8896 -17.8896 -15.9580 -15.9580 -15.9580 -15.9580 -15.9484 -15.9484 -8.0476 -8.0476 -7.8260 -7.8260 -7.8098 -7.8098 -7.2327 -7.2327 -7.2091 -7.2091 -6.9834 -6.9834 -3.4200 -3.4200 -3.4162 -3.4162 -3.1545 -3.1545 -3.0864 -3.0864 -3.0829 -3.0829 -2.8111 -2.8111 -2.8059 -2.8059 -2.6476 -2.6476 -2.5335 -2.5335 -1.6698 -1.6698 -1.6595 -1.6595 -1.3936 -1.3936 -0.9284 -0.9284 -0.9241 -0.9241 0.9390 0.9390 1.3095 1.3095 1.3200 1.3200 1.3439 1.3439 1.4966 1.4966 1.5091 1.5091 4.5387 4.5387 5.1830 5.1830 5.1978 5.1978 5.3224 5.3224 5.4866 5.4866 5.5183 5.5183 5.5243 5.5243 6.2870 6.2870 6.2893 6.2893 7.1349 7.1349 k = 0.2404 0.2404 0.2404 ( 5551 PWs) bands (ev): -24.2815 -24.2815 -18.0529 -18.0529 -17.8906 -17.8906 -17.8903 -17.8903 -15.9626 -15.9626 -15.9626 -15.9626 -15.9528 -15.9528 -8.0473 -8.0473 -7.8252 -7.8252 -7.8077 -7.8077 -7.2090 -7.2090 -7.1863 -7.1863 -6.9671 -6.9671 -3.4304 -3.4304 -3.4265 -3.4265 -3.1898 -3.1898 -3.1194 -3.1194 -3.1164 -3.1164 -2.8199 -2.8199 -2.8144 -2.8144 -2.6486 -2.6486 -2.5635 -2.5635 -1.6397 -1.6397 -1.6302 -1.6302 -1.3941 -1.3941 -0.9140 -0.9140 -0.9093 -0.9093 0.9108 0.9108 1.3113 1.3113 1.3225 1.3225 1.3278 1.3278 1.4853 1.4853 1.4977 1.4977 4.5979 4.5979 5.2013 5.2013 5.2158 5.2158 5.3670 5.3670 5.4853 5.4853 5.5176 5.5176 5.5239 5.5239 6.3160 6.3160 6.3187 6.3187 7.1840 7.1840 k = 0.2500 0.2500 0.2500 ( 5527 PWs) bands (ev): -24.2814 -24.2814 -18.0449 -18.0449 -17.8914 -17.8914 -17.8911 -17.8911 -15.9673 -15.9673 -15.9673 -15.9673 -15.9574 -15.9574 -8.0465 -8.0465 -7.8239 -7.8239 -7.8052 -7.8052 -7.1853 -7.1853 -7.1636 -7.1636 -6.9513 -6.9513 -3.4405 -3.4405 -3.4368 -3.4368 -3.2250 -3.2250 -3.1530 -3.1530 -3.1505 -3.1505 -2.8276 -2.8276 -2.8221 -2.8221 -2.6500 -2.6500 -2.5934 -2.5934 -1.6101 -1.6101 -1.6014 -1.6014 -1.3929 -1.3929 -0.8986 -0.8986 -0.8937 -0.8937 0.8815 0.8815 1.3086 1.3086 1.3153 1.3153 1.3240 1.3240 1.4740 1.4740 1.4862 1.4862 4.6538 4.6538 5.2200 5.2200 5.2341 5.2341 5.4150 5.4150 5.4853 5.4853 5.5174 5.5174 5.5240 5.5240 6.3447 6.3447 6.3477 6.3477 7.2329 7.2329 k = 0.2596 0.2596 0.2596 ( 5554 PWs) bands (ev): -24.2813 -24.2813 -18.0369 -18.0369 -17.8921 -17.8921 -17.8918 -17.8918 -15.9720 -15.9720 -15.9720 -15.9720 -15.9621 -15.9621 -8.0455 -8.0455 -7.8221 -7.8221 -7.8025 -7.8025 -7.1616 -7.1616 -7.1409 -7.1409 -6.9360 -6.9360 -3.4509 -3.4509 -3.4472 -3.4472 -3.2600 -3.2600 -3.1871 -3.1871 -3.1850 -3.1850 -2.8347 -2.8347 -2.8292 -2.8292 -2.6542 -2.6542 -2.6207 -2.6207 -1.5812 -1.5812 -1.5734 -1.5734 -1.3901 -1.3901 -0.8822 -0.8822 -0.8772 -0.8772 0.8514 0.8514 1.2940 1.2940 1.3134 1.3134 1.3242 1.3242 1.4627 1.4627 1.4747 1.4747 4.7063 4.7063 5.2387 5.2387 5.2526 5.2526 5.4630 5.4630 5.4899 5.4899 5.5176 5.5176 5.5247 5.5247 6.3727 6.3727 6.3762 6.3762 7.2813 7.2813 k = 0.2692 0.2692 0.2692 ( 5560 PWs) bands (ev): -24.2812 -24.2812 -18.0288 -18.0288 -17.8928 -17.8928 -17.8925 -17.8925 -15.9767 -15.9767 -15.9767 -15.9767 -15.9668 -15.9668 -8.0441 -8.0441 -7.8198 -7.8198 -7.7994 -7.7994 -7.1379 -7.1379 -7.1183 -7.1183 -6.9213 -6.9213 -3.4612 -3.4612 -3.4575 -3.4575 -3.2948 -3.2948 -3.2215 -3.2215 -3.2197 -3.2197 -2.8410 -2.8410 -2.8355 -2.8355 -2.6694 -2.6694 -2.6370 -2.6370 -1.5529 -1.5529 -1.5460 -1.5460 -1.3860 -1.3860 -0.8648 -0.8648 -0.8598 -0.8598 0.8206 0.8206 1.2779 1.2779 1.3116 1.3116 1.3228 1.3228 1.4517 1.4517 1.4635 1.4635 4.7552 4.7552 5.2577 5.2577 5.2713 5.2713 5.4812 5.4812 5.5183 5.5183 5.5222 5.5222 5.5324 5.5324 6.4000 6.4000 6.4039 6.4039 7.3291 7.3291 k = 0.2788 0.2788 0.2788 ( 5560 PWs) bands (ev): -24.2811 -24.2811 -18.0207 -18.0207 -17.8935 -17.8935 -17.8932 -17.8932 -15.9814 -15.9814 -15.9813 -15.9813 -15.9716 -15.9716 -8.0423 -8.0423 -7.8170 -7.8170 -7.7961 -7.7961 -7.1144 -7.1144 -7.0958 -7.0958 -6.9072 -6.9072 -3.4714 -3.4714 -3.4677 -3.4677 -3.3292 -3.3292 -3.2559 -3.2559 -3.2545 -3.2545 -2.8466 -2.8466 -2.8413 -2.8413 -2.6963 -2.6963 -2.6412 -2.6412 -1.5255 -1.5255 -1.5195 -1.5195 -1.3806 -1.3806 -0.8464 -0.8464 -0.8415 -0.8415 0.7892 0.7892 1.2618 1.2618 1.3083 1.3083 1.3196 1.3196 1.4413 1.4413 1.4527 1.4527 4.8004 4.8004 5.2767 5.2767 5.2900 5.2900 5.4845 5.4845 5.5196 5.5196 5.5262 5.5262 5.5879 5.5879 6.4266 6.4266 6.4310 6.4310 7.3761 7.3761 k = 0.2885 0.2885 0.2885 ( 5554 PWs) bands (ev): -24.2810 -24.2810 -18.0127 -18.0127 -17.8942 -17.8942 -17.8938 -17.8938 -15.9860 -15.9860 -15.9860 -15.9860 -15.9764 -15.9764 -8.0402 -8.0402 -7.8137 -7.8137 -7.7925 -7.7925 -7.0911 -7.0911 -7.0736 -7.0736 -6.8938 -6.8938 -3.4816 -3.4816 -3.4779 -3.4779 -3.3631 -3.3631 -3.2902 -3.2902 -3.2891 -3.2891 -2.8515 -2.8515 -2.8465 -2.8465 -2.7261 -2.7261 -2.6420 -2.6420 -1.4989 -1.4989 -1.4939 -1.4939 -1.3740 -1.3740 -0.8271 -0.8271 -0.8224 -0.8224 0.7574 0.7574 1.2458 1.2458 1.3031 1.3031 1.3143 1.3143 1.4319 1.4319 1.4427 1.4427 4.8421 4.8421 5.2957 5.2957 5.3088 5.3088 5.4875 5.4875 5.5212 5.5212 5.5283 5.5283 5.6500 5.6500 6.4523 6.4523 6.4573 6.4573 7.4222 7.4222 k = 0.2981 0.2981 0.2981 ( 5560 PWs) bands (ev): -24.2809 -24.2809 -18.0046 -18.0046 -17.8949 -17.8949 -17.8945 -17.8945 -15.9906 -15.9906 -15.9906 -15.9906 -15.9813 -15.9813 -8.0379 -8.0379 -7.8101 -7.8101 -7.7888 -7.7888 -7.0680 -7.0680 -7.0517 -7.0517 -6.8811 -6.8811 -3.4918 -3.4918 -3.4881 -3.4881 -3.3963 -3.3963 -3.3242 -3.3242 -3.3234 -3.3234 -2.8559 -2.8559 -2.8512 -2.8512 -2.7562 -2.7562 -2.6419 -2.6419 -1.4734 -1.4734 -1.4693 -1.4693 -1.3664 -1.3664 -0.8069 -0.8069 -0.8024 -0.8024 0.7255 0.7255 1.2298 1.2298 1.2959 1.2959 1.3067 1.3067 1.4236 1.4236 1.4336 1.4336 4.8804 4.8804 5.3146 5.3146 5.3274 5.3274 5.4909 5.4909 5.5234 5.5234 5.5307 5.5307 5.7148 5.7148 6.4772 6.4772 6.4827 6.4827 7.4671 7.4671 k = 0.3077 0.3077 0.3077 ( 5566 PWs) bands (ev): -24.2808 -24.2808 -17.9967 -17.9967 -17.8955 -17.8955 -17.8951 -17.8951 -15.9952 -15.9952 -15.9951 -15.9951 -15.9861 -15.9861 -8.0353 -8.0353 -7.8061 -7.8061 -7.7849 -7.7849 -7.0452 -7.0452 -7.0300 -7.0300 -6.8691 -6.8691 -3.5022 -3.5022 -3.4984 -3.4984 -3.4286 -3.4286 -3.3576 -3.3576 -3.3570 -3.3570 -2.8598 -2.8598 -2.8555 -2.8555 -2.7860 -2.7860 -2.6414 -2.6414 -1.4489 -1.4489 -1.4457 -1.4457 -1.3579 -1.3579 -0.7858 -0.7858 -0.7817 -0.7817 0.6935 0.6935 1.2139 1.2139 1.2865 1.2865 1.2967 1.2967 1.4168 1.4168 1.4257 1.4257 4.9156 4.9156 5.3333 5.3333 5.3458 5.3458 5.4949 5.4949 5.5259 5.5259 5.5334 5.5334 5.7817 5.7817 6.5010 6.5010 6.5071 6.5071 7.5107 7.5107 k = 0.3173 0.3173 0.3173 ( 5569 PWs) bands (ev): -24.2807 -24.2807 -17.9889 -17.9889 -17.8961 -17.8961 -17.8957 -17.8957 -15.9996 -15.9996 -15.9996 -15.9996 -15.9909 -15.9909 -8.0326 -8.0326 -7.8018 -7.8018 -7.7809 -7.7809 -7.0228 -7.0228 -7.0088 -7.0088 -6.8578 -6.8578 -3.5129 -3.5129 -3.5087 -3.5087 -3.4599 -3.4599 -3.3901 -3.3901 -3.3898 -3.3898 -2.8632 -2.8632 -2.8596 -2.8596 -2.8150 -2.8150 -2.6406 -2.6406 -1.4255 -1.4255 -1.4232 -1.4232 -1.3487 -1.3487 -0.7641 -0.7641 -0.7603 -0.7603 0.6616 0.6616 1.1983 1.1983 1.2750 1.2750 1.2844 1.2844 1.4112 1.4112 1.4190 1.4190 4.9478 4.9478 5.3517 5.3517 5.3639 5.3639 5.4996 5.4996 5.5289 5.5289 5.5365 5.5365 5.8500 5.8500 6.5238 6.5238 6.5304 6.5304 7.5529 7.5529 k = 0.3269 0.3269 0.3269 ( 5563 PWs) bands (ev): -24.2807 -24.2807 -17.9812 -17.9812 -17.8967 -17.8967 -17.8963 -17.8963 -16.0039 -16.0039 -16.0039 -16.0039 -15.9957 -15.9957 -8.0296 -8.0296 -7.7972 -7.7972 -7.7769 -7.7769 -7.0009 -7.0009 -6.9880 -6.9880 -6.8474 -6.8474 -3.5242 -3.5242 -3.5194 -3.5194 -3.4899 -3.4899 -3.4213 -3.4213 -3.4211 -3.4211 -2.8661 -2.8661 -2.8639 -2.8639 -2.8424 -2.8424 -2.6396 -2.6396 -1.4034 -1.4034 -1.4018 -1.4018 -1.3387 -1.3387 -0.7417 -0.7417 -0.7383 -0.7383 0.6301 0.6301 1.1828 1.1828 1.2616 1.2616 1.2703 1.2703 1.4067 1.4067 1.4134 1.4134 4.9774 4.9774 5.3698 5.3698 5.3816 5.3816 5.5049 5.5049 5.5322 5.5322 5.5399 5.5399 5.9190 5.9190 6.5455 6.5455 6.5528 6.5528 7.5935 7.5935 k = 0.3365 0.3365 0.3365 ( 5557 PWs) bands (ev): -24.2806 -24.2806 -17.9736 -17.9736 -17.8972 -17.8972 -17.8968 -17.8968 -16.0082 -16.0082 -16.0081 -16.0081 -16.0004 -16.0004 -8.0265 -8.0265 -7.7924 -7.7924 -7.7728 -7.7728 -6.9795 -6.9795 -6.9677 -6.9677 -6.8377 -6.8377 -3.5375 -3.5375 -3.5310 -3.5310 -3.5178 -3.5178 -3.4507 -3.4507 -3.4505 -3.4505 -2.8754 -2.8754 -2.8687 -2.8687 -2.8614 -2.8614 -2.6384 -2.6384 -1.3825 -1.3825 -1.3815 -1.3815 -1.3282 -1.3282 -0.7187 -0.7187 -0.7158 -0.7158 0.5989 0.5989 1.1677 1.1677 1.2466 1.2466 1.2545 1.2545 1.4031 1.4031 1.4086 1.4086 5.0044 5.0044 5.3874 5.3874 5.3989 5.3989 5.5108 5.5108 5.5359 5.5359 5.5437 5.5437 5.9883 5.9883 6.5661 6.5661 6.5739 6.5739 7.6324 7.6324 k = 0.3462 0.3462 0.3462 ( 5571 PWs) bands (ev): -24.2805 -24.2805 -17.9663 -17.9663 -17.8977 -17.8977 -17.8973 -17.8973 -16.0122 -16.0122 -16.0122 -16.0122 -16.0050 -16.0050 -8.0233 -8.0233 -7.7874 -7.7874 -7.7688 -7.7688 -6.9587 -6.9587 -6.9479 -6.9479 -6.8288 -6.8288 -3.5558 -3.5558 -3.5442 -3.5442 -3.5413 -3.5413 -3.4771 -3.4771 -3.4770 -3.4770 -2.8995 -2.8995 -2.8710 -2.8710 -2.8665 -2.8665 -2.6372 -2.6372 -1.3630 -1.3630 -1.3624 -1.3624 -1.3172 -1.3172 -0.6955 -0.6955 -0.6929 -0.6929 0.5684 0.5684 1.1529 1.1529 1.2302 1.2302 1.2375 1.2375 1.4001 1.4001 1.4047 1.4047 5.0292 5.0292 5.4044 5.4044 5.4155 5.4155 5.5172 5.5172 5.5398 5.5398 5.5477 5.5477 6.0572 6.0572 6.5854 6.5854 6.5939 6.5939 7.6693 7.6693 k = 0.3558 0.3558 0.3558 ( 5565 PWs) bands (ev): -24.2804 -24.2804 -17.9593 -17.9593 -17.8982 -17.8982 -17.8978 -17.8978 -16.0162 -16.0162 -16.0161 -16.0161 -16.0095 -16.0095 -8.0200 -8.0200 -7.7823 -7.7823 -7.7648 -7.7648 -6.9386 -6.9386 -6.9289 -6.9289 -6.8206 -6.8206 -3.5795 -3.5795 -3.5607 -3.5607 -3.5601 -3.5601 -3.4995 -3.4995 -3.4993 -3.4993 -2.9244 -2.9244 -2.8729 -2.8729 -2.8692 -2.8692 -2.6359 -2.6359 -1.3448 -1.3448 -1.3444 -1.3444 -1.3058 -1.3058 -0.6719 -0.6719 -0.6698 -0.6698 0.5386 0.5386 1.1385 1.1385 1.2128 1.2128 1.2196 1.2196 1.3976 1.3976 1.4014 1.4014 5.0519 5.0519 5.4209 5.4209 5.4316 5.4316 5.5239 5.5239 5.5441 5.5441 5.5519 5.5519 6.1253 6.1253 6.6036 6.6036 6.6127 6.6127 7.7043 7.7043 k = 0.3654 0.3654 0.3654 ( 5571 PWs) bands (ev): -24.2803 -24.2803 -17.9525 -17.9525 -17.8987 -17.8987 -17.8982 -17.8982 -16.0199 -16.0199 -16.0199 -16.0199 -16.0139 -16.0139 -8.0168 -8.0168 -7.7771 -7.7771 -7.7609 -7.7609 -6.9192 -6.9192 -6.9106 -6.9106 -6.8132 -6.8132 -3.6041 -3.6041 -3.5811 -3.5811 -3.5793 -3.5793 -3.5169 -3.5169 -3.5168 -3.5168 -2.9482 -2.9482 -2.8745 -2.8745 -2.8714 -2.8714 -2.6346 -2.6346 -1.3281 -1.3281 -1.3276 -1.3276 -1.2942 -1.2942 -0.6484 -0.6484 -0.6466 -0.6466 0.5097 0.5097 1.1246 1.1246 1.1947 1.1947 1.2010 1.2010 1.3954 1.3954 1.3985 1.3985 5.0726 5.0726 5.4367 5.4367 5.4468 5.4468 5.5310 5.5310 5.5486 5.5486 5.5562 5.5562 6.1920 6.1920 6.6205 6.6205 6.6303 6.6303 7.7371 7.7371 k = 0.3750 0.3750 0.3750 ( 5571 PWs) bands (ev): -24.2803 -24.2803 -17.9460 -17.9460 -17.8991 -17.8991 -17.8986 -17.8986 -16.0235 -16.0235 -16.0234 -16.0234 -16.0180 -16.0180 -8.0135 -8.0135 -7.7719 -7.7719 -7.7570 -7.7570 -6.9007 -6.9007 -6.8931 -6.8931 -6.8066 -6.8066 -3.6279 -3.6279 -3.6034 -3.6034 -3.6011 -3.6011 -3.5302 -3.5302 -3.5301 -3.5301 -2.9708 -2.9708 -2.8759 -2.8759 -2.8733 -2.8733 -2.6332 -2.6332 -1.3127 -1.3127 -1.3120 -1.3120 -1.2825 -1.2825 -0.6250 -0.6250 -0.6236 -0.6236 0.4819 0.4819 1.1113 1.1113 1.1762 1.1762 1.1822 1.1822 1.3935 1.3935 1.3959 1.3959 5.0914 5.0914 5.4516 5.4516 5.4612 5.4612 5.5382 5.5382 5.5533 5.5533 5.5607 5.5607 6.2570 6.2570 6.6363 6.6363 6.6466 6.6466 7.7677 7.7677 k = 0.3846 0.3846 0.3846 ( 5565 PWs) bands (ev): -24.2802 -24.2802 -17.9398 -17.9398 -17.8995 -17.8995 -17.8990 -17.8990 -16.0269 -16.0269 -16.0268 -16.0268 -16.0220 -16.0220 -8.0103 -8.0103 -7.7667 -7.7667 -7.7534 -7.7534 -6.8831 -6.8831 -6.8764 -6.8764 -6.8006 -6.8006 -3.6503 -3.6503 -3.6264 -3.6264 -3.6239 -3.6239 -3.5404 -3.5404 -3.5404 -3.5404 -2.9919 -2.9919 -2.8770 -2.8770 -2.8749 -2.8749 -2.6318 -2.6318 -1.2985 -1.2985 -1.2975 -1.2975 -1.2708 -1.2708 -0.6019 -0.6019 -0.6008 -0.6008 0.4554 0.4554 1.0985 1.0985 1.1575 1.1575 1.1634 1.1634 1.3917 1.3917 1.3937 1.3937 5.1085 5.1085 5.4658 5.4658 5.4747 5.4747 5.5455 5.5455 5.5582 5.5582 5.5652 5.5652 6.3196 6.3196 6.6508 6.6508 6.6617 6.6617 7.7960 7.7960 k = 0.3942 0.3942 0.3942 ( 5562 PWs) bands (ev): -24.2801 -24.2801 -17.9341 -17.9341 -17.8999 -17.8999 -17.8994 -17.8994 -16.0300 -16.0300 -16.0300 -16.0300 -16.0258 -16.0258 -8.0072 -8.0072 -7.7617 -7.7617 -7.7499 -7.7499 -6.8665 -6.8665 -6.8608 -6.8608 -6.7954 -6.7954 -3.6712 -3.6712 -3.6492 -3.6492 -3.6465 -3.6465 -3.5489 -3.5489 -3.5488 -3.5488 -3.0117 -3.0117 -2.8780 -2.8780 -2.8762 -2.8762 -2.6304 -2.6304 -1.2856 -1.2856 -1.2843 -1.2843 -1.2595 -1.2595 -0.5794 -0.5794 -0.5786 -0.5786 0.4302 0.4302 1.0865 1.0865 1.1390 1.1390 1.1447 1.1447 1.3901 1.3901 1.3917 1.3917 5.1240 5.1240 5.4789 5.4789 5.4871 5.4871 5.5528 5.5528 5.5631 5.5631 5.5697 5.5697 6.3795 6.3795 6.6640 6.6640 6.6756 6.6756 7.8219 7.8219 k = 0.4038 0.4038 0.4038 ( 5565 PWs) bands (ev): -24.2801 -24.2801 -17.9287 -17.9287 -17.9002 -17.9002 -17.8997 -17.8997 -16.0329 -16.0329 -16.0329 -16.0329 -16.0294 -16.0294 -8.0043 -8.0043 -7.7568 -7.7568 -7.7466 -7.7466 -6.8511 -6.8511 -6.8461 -6.8461 -6.7908 -6.7908 -3.6906 -3.6906 -3.6712 -3.6712 -3.6683 -3.6683 -3.5560 -3.5560 -3.5559 -3.5559 -3.0298 -3.0298 -2.8788 -2.8788 -2.8774 -2.8774 -2.6291 -2.6291 -1.2738 -1.2738 -1.2722 -1.2722 -1.2487 -1.2487 -0.5577 -0.5577 -0.5571 -0.5571 0.4065 0.4065 1.0752 1.0752 1.1209 1.1209 1.1265 1.1265 1.3886 1.3886 1.3898 1.3898 5.1379 5.1379 5.4911 5.4911 5.4985 5.4985 5.5600 5.5600 5.5682 5.5682 5.5742 5.5742 6.4363 6.4363 6.6761 6.6761 6.6881 6.6881 7.8453 7.8453 k = 0.4135 0.4135 0.4135 ( 5577 PWs) bands (ev): -24.2800 -24.2800 -17.9237 -17.9237 -17.9005 -17.9005 -17.9000 -17.9000 -16.0356 -16.0356 -16.0356 -16.0356 -16.0326 -16.0326 -8.0015 -8.0015 -7.7522 -7.7522 -7.7435 -7.7435 -6.8368 -6.8368 -6.8326 -6.8326 -6.7868 -6.7868 -3.7082 -3.7082 -3.6917 -3.6917 -3.6887 -3.6887 -3.5622 -3.5622 -3.5621 -3.5621 -3.0464 -3.0464 -2.8796 -2.8796 -2.8784 -2.8784 -2.6279 -2.6279 -1.2630 -1.2630 -1.2612 -1.2612 -1.2385 -1.2385 -0.5371 -0.5371 -0.5366 -0.5366 0.3845 0.3845 1.0648 1.0648 1.1035 1.1035 1.1090 1.1090 1.3872 1.3872 1.3881 1.3881 5.1503 5.1503 5.5022 5.5022 5.5087 5.5087 5.5669 5.5669 5.5732 5.5732 5.5785 5.5785 6.4894 6.4894 6.6869 6.6869 6.6995 6.6995 7.8663 7.8663 k = 0.4231 0.4231 0.4231 ( 5571 PWs) bands (ev): -24.2800 -24.2800 -17.9192 -17.9192 -17.9008 -17.9008 -17.9002 -17.9002 -16.0381 -16.0381 -16.0380 -16.0380 -16.0356 -16.0356 -7.9989 -7.9989 -7.7478 -7.7478 -7.7407 -7.7407 -6.8237 -6.8237 -6.8203 -6.8203 -6.7834 -6.7834 -3.7242 -3.7242 -3.7106 -3.7106 -3.7076 -3.7076 -3.5675 -3.5675 -3.5674 -3.5674 -3.0614 -3.0614 -2.8801 -2.8801 -2.8792 -2.8792 -2.6267 -2.6267 -1.2533 -1.2533 -1.2514 -1.2514 -1.2292 -1.2292 -0.5177 -0.5177 -0.5174 -0.5174 0.3644 0.3644 1.0552 1.0552 1.0871 1.0871 1.0925 1.0925 1.3860 1.3860 1.3866 1.3866 5.1613 5.1613 5.5122 5.5122 5.5177 5.5177 5.5734 5.5734 5.5781 5.5781 5.5827 5.5827 6.5383 6.5383 6.6967 6.6967 6.7096 6.7096 7.8849 7.8849 k = 0.4327 0.4327 0.4327 ( 5565 PWs) bands (ev): -24.2799 -24.2799 -17.9151 -17.9151 -17.9010 -17.9010 -17.9005 -17.9005 -16.0402 -16.0402 -16.0402 -16.0402 -16.0383 -16.0383 -7.9965 -7.9965 -7.7438 -7.7438 -7.7382 -7.7382 -6.8120 -6.8120 -6.8092 -6.8092 -6.7806 -6.7806 -3.7385 -3.7385 -3.7276 -3.7276 -3.7246 -3.7246 -3.5721 -3.5721 -3.5720 -3.5720 -3.0746 -3.0746 -2.8805 -2.8805 -2.8798 -2.8798 -2.6256 -2.6256 -1.2445 -1.2445 -1.2428 -1.2428 -1.2208 -1.2208 -0.4999 -0.4999 -0.4997 -0.4997 0.3462 0.3462 1.0465 1.0465 1.0719 1.0719 1.0772 1.0772 1.3848 1.3848 1.3853 1.3853 5.1709 5.1709 5.5210 5.5210 5.5255 5.5255 5.5795 5.5795 5.5829 5.5829 5.5866 5.5866 6.5828 6.5828 6.7053 6.7053 6.7184 6.7184 7.9010 7.9010 k = 0.4423 0.4423 0.4423 ( 5553 PWs) bands (ev): -24.2799 -24.2799 -17.9116 -17.9116 -17.9012 -17.9012 -17.9007 -17.9007 -16.0421 -16.0421 -16.0421 -16.0421 -16.0407 -16.0407 -7.9944 -7.9944 -7.7402 -7.7402 -7.7360 -7.7360 -6.8017 -6.8017 -6.7995 -6.7995 -6.7782 -6.7782 -3.7510 -3.7510 -3.7425 -3.7425 -3.7396 -3.7396 -3.5760 -3.5760 -3.5759 -3.5759 -3.0862 -3.0862 -2.8808 -2.8808 -2.8802 -2.8802 -2.6246 -2.6246 -1.2368 -1.2368 -1.2353 -1.2353 -1.2134 -1.2134 -0.4838 -0.4838 -0.4837 -0.4837 0.3302 0.3302 1.0387 1.0387 1.0583 1.0583 1.0633 1.0633 1.3838 1.3838 1.3841 1.3841 5.1791 5.1791 5.5286 5.5286 5.5321 5.5321 5.5849 5.5849 5.5874 5.5874 5.5902 5.5902 6.6222 6.6222 6.7129 6.7129 6.7261 6.7261 7.9147 7.9147 k = 0.4519 0.4519 0.4519 ( 5562 PWs) bands (ev): -24.2799 -24.2799 -17.9085 -17.9085 -17.9014 -17.9014 -17.9008 -17.9008 -16.0438 -16.0438 -16.0437 -16.0437 -16.0427 -16.0427 -7.9926 -7.9926 -7.7371 -7.7371 -7.7341 -7.7341 -6.7929 -6.7929 -6.7912 -6.7912 -6.7762 -6.7762 -3.7619 -3.7619 -3.7551 -3.7551 -3.7525 -3.7525 -3.5793 -3.5793 -3.5792 -3.5792 -3.0961 -3.0961 -2.8811 -2.8811 -2.8807 -2.8807 -2.6238 -2.6238 -1.2302 -1.2302 -1.2290 -1.2290 -1.2071 -1.2071 -0.4698 -0.4698 -0.4697 -0.4697 0.3163 0.3163 1.0318 1.0318 1.0464 1.0464 1.0511 1.0511 1.3829 1.3829 1.3831 1.3831 5.1860 5.1860 5.5351 5.5351 5.5376 5.5376 5.5897 5.5897 5.5914 5.5914 5.5934 5.5934 6.6560 6.6560 6.7195 6.7195 6.7325 6.7325 7.9261 7.9261 k = 0.4615 0.4615 0.4615 ( 5562 PWs) bands (ev): -24.2798 -24.2798 -17.9060 -17.9060 -17.9015 -17.9015 -17.9010 -17.9010 -16.0451 -16.0451 -16.0450 -16.0450 -16.0444 -16.0444 -7.9911 -7.9911 -7.7344 -7.7344 -7.7325 -7.7325 -6.7856 -6.7856 -6.7843 -6.7843 -6.7747 -6.7747 -3.7711 -3.7711 -3.7653 -3.7653 -3.7632 -3.7632 -3.5820 -3.5820 -3.5819 -3.5819 -3.1041 -3.1041 -2.8813 -2.8813 -2.8811 -2.8811 -2.6231 -2.6231 -1.2247 -1.2247 -1.2238 -1.2238 -1.2019 -1.2019 -0.4579 -0.4579 -0.4579 -0.4579 0.3049 0.3049 1.0257 1.0257 1.0368 1.0368 1.0408 1.0408 1.3821 1.3821 1.3823 1.3823 5.1916 5.1916 5.5403 5.5403 5.5420 5.5420 5.5937 5.5937 5.5949 5.5949 5.5962 5.5962 6.6835 6.6835 6.7256 6.7256 6.7377 6.7377 7.9353 7.9353 k = 0.4712 0.4712 0.4712 ( 5562 PWs) bands (ev): -24.2798 -24.2798 -17.9041 -17.9041 -17.9016 -17.9016 -17.9011 -17.9011 -16.0461 -16.0461 -16.0461 -16.0461 -16.0457 -16.0457 -7.9899 -7.9899 -7.7324 -7.7324 -7.7312 -7.7312 -6.7799 -6.7799 -6.7788 -6.7788 -6.7735 -6.7735 -3.7786 -3.7786 -3.7730 -3.7730 -3.7716 -3.7716 -3.5840 -3.5840 -3.5840 -3.5840 -3.1104 -3.1104 -2.8815 -2.8815 -2.8813 -2.8813 -2.6226 -2.6226 -1.2203 -1.2203 -1.2198 -1.2198 -1.1978 -1.1978 -0.4485 -0.4485 -0.4485 -0.4485 0.2958 0.2958 1.0204 1.0204 1.0297 1.0297 1.0325 1.0325 1.3815 1.3815 1.3816 1.3816 5.1959 5.1959 5.5444 5.5444 5.5454 5.5454 5.5969 5.5969 5.5978 5.5978 5.5984 5.5984 6.7039 6.7039 6.7318 6.7318 6.7418 6.7418 7.9423 7.9423 k = 0.4808 0.4808 0.4808 ( 5544 PWs) bands (ev): -24.2798 -24.2798 -17.9028 -17.9028 -17.9016 -17.9016 -17.9011 -17.9011 -16.0469 -16.0469 -16.0468 -16.0468 -16.0467 -16.0467 -7.9890 -7.9890 -7.7308 -7.7308 -7.7303 -7.7303 -6.7758 -6.7758 -6.7749 -6.7749 -6.7727 -6.7727 -3.7841 -3.7841 -3.7783 -3.7783 -3.7776 -3.7776 -3.5855 -3.5855 -3.5854 -3.5854 -3.1149 -3.1149 -2.8815 -2.8815 -2.8814 -2.8814 -2.6221 -2.6221 -1.2172 -1.2172 -1.2169 -1.2169 -1.1949 -1.1949 -0.4416 -0.4416 -0.4416 -0.4416 0.2893 0.2893 1.0160 1.0160 1.0251 1.0251 1.0265 1.0265 1.3811 1.3811 1.3811 1.3811 5.1990 5.1990 5.5473 5.5473 5.5477 5.5477 5.5991 5.5991 5.5999 5.5999 5.6002 5.6002 6.7162 6.7162 6.7387 6.7387 6.7447 6.7447 7.9473 7.9473 k = 0.4904 0.4904 0.4904 ( 5544 PWs) bands (ev): -24.2798 -24.2798 -17.9022 -17.9022 -17.9014 -17.9014 -17.9012 -17.9012 -16.0474 -16.0474 -16.0473 -16.0473 -16.0473 -16.0473 -7.9885 -7.9885 -7.7299 -7.7299 -7.7298 -7.7298 -6.7734 -6.7734 -6.7726 -6.7726 -6.7721 -6.7721 -3.7875 -3.7875 -3.7814 -3.7814 -3.7813 -3.7813 -3.5864 -3.5864 -3.5863 -3.5863 -3.1177 -3.1177 -2.8816 -2.8816 -2.8815 -2.8815 -2.6219 -2.6219 -1.2153 -1.2153 -1.2152 -1.2152 -1.1931 -1.1931 -0.4375 -0.4375 -0.4375 -0.4375 0.2854 0.2854 1.0131 1.0131 1.0225 1.0225 1.0229 1.0229 1.3809 1.3809 1.3809 1.3809 5.2009 5.2009 5.5490 5.5490 5.5491 5.5491 5.6004 5.6004 5.6012 5.6012 5.6013 5.6013 6.7218 6.7218 6.7447 6.7447 6.7465 6.7465 7.9503 7.9503 k = 0.5000 0.5000 0.5000 ( 5520 PWs) bands (ev): -24.2798 -24.2798 -17.9020 -17.9020 -17.9012 -17.9012 -17.9012 -17.9012 -16.0475 -16.0475 -16.0474 -16.0474 -16.0474 -16.0474 -7.9883 -7.9883 -7.7296 -7.7296 -7.7296 -7.7296 -6.7727 -6.7727 -6.7718 -6.7718 -6.7718 -6.7718 -3.7887 -3.7887 -3.7825 -3.7825 -3.7825 -3.7825 -3.5866 -3.5866 -3.5866 -3.5866 -3.1186 -3.1186 -2.8815 -2.8815 -2.8815 -2.8815 -2.6217 -2.6217 -1.2146 -1.2146 -1.2146 -1.2146 -1.1925 -1.1925 -0.4360 -0.4360 -0.4360 -0.4360 0.2841 0.2841 1.0121 1.0121 1.0217 1.0217 1.0217 1.0217 1.3808 1.3808 1.3808 1.3808 5.2015 5.2015 5.5496 5.5496 5.5496 5.5496 5.6009 5.6009 5.6017 5.6017 5.6017 5.6017 6.7234 6.7234 6.7471 6.7471 6.7471 6.7471 7.9513 7.9513 k = 0.5000 0.5000 0.5000 ( 5520 PWs) bands (ev): -24.2798 -24.2798 -17.9020 -17.9020 -17.9012 -17.9012 -17.9012 -17.9012 -16.0475 -16.0475 -16.0474 -16.0474 -16.0474 -16.0474 -7.9883 -7.9883 -7.7296 -7.7296 -7.7296 -7.7296 -6.7727 -6.7727 -6.7718 -6.7718 -6.7718 -6.7718 -3.7887 -3.7887 -3.7825 -3.7825 -3.7825 -3.7825 -3.5866 -3.5866 -3.5866 -3.5866 -3.1186 -3.1186 -2.8815 -2.8815 -2.8815 -2.8815 -2.6217 -2.6217 -1.2146 -1.2146 -1.2146 -1.2146 -1.1925 -1.1925 -0.4360 -0.4360 -0.4360 -0.4360 0.2841 0.2841 1.0121 1.0121 1.0217 1.0217 1.0217 1.0217 1.3808 1.3808 1.3808 1.3808 5.2015 5.2015 5.5496 5.5496 5.5496 5.5496 5.6009 5.6009 5.6017 5.6017 5.6017 5.6017 6.7234 6.7234 6.7471 6.7471 6.7471 6.7471 7.9513 7.9513 k = 0.4881 0.5000 0.4881 ( 5544 PWs) bands (ev): -24.2798 -24.2798 -17.9021 -17.9021 -17.9014 -17.9014 -17.9012 -17.9012 -16.0474 -16.0474 -16.0473 -16.0473 -16.0472 -16.0472 -7.9885 -7.9885 -7.7300 -7.7300 -7.7297 -7.7297 -6.7735 -6.7735 -6.7727 -6.7727 -6.7719 -6.7719 -3.7876 -3.7876 -3.7818 -3.7818 -3.7807 -3.7807 -3.5865 -3.5865 -3.5862 -3.5862 -3.1176 -3.1176 -2.8816 -2.8816 -2.8815 -2.8815 -2.6219 -2.6219 -1.2154 -1.2154 -1.2152 -1.2152 -1.1931 -1.1931 -0.4381 -0.4381 -0.4368 -0.4368 0.2854 0.2854 1.0131 1.0131 1.0224 1.0224 1.0230 1.0230 1.3806 1.3806 1.3811 1.3811 5.2009 5.2009 5.5489 5.5489 5.5492 5.5492 5.6004 5.6004 5.6011 5.6011 5.6014 5.6014 6.7218 6.7218 6.7446 6.7446 6.7465 6.7465 7.9502 7.9502 k = 0.4762 0.5000 0.4762 ( 5556 PWs) bands (ev): -24.2798 -24.2798 -17.9026 -17.9026 -17.9018 -17.9018 -17.9010 -17.9010 -16.0474 -16.0474 -16.0465 -16.0465 -16.0465 -16.0465 -7.9891 -7.9891 -7.7311 -7.7311 -7.7301 -7.7301 -6.7764 -6.7764 -6.7754 -6.7754 -6.7717 -6.7717 -3.7861 -3.7861 -3.7783 -3.7783 -3.7754 -3.7754 -3.5860 -3.5860 -3.5849 -3.5849 -3.1149 -3.1149 -2.8818 -2.8818 -2.8813 -2.8813 -2.6222 -2.6222 -1.2175 -1.2175 -1.2168 -1.2168 -1.1949 -1.1949 -0.4443 -0.4443 -0.4392 -0.4392 0.2894 0.2894 1.0160 1.0160 1.0246 1.0246 1.0273 1.0273 1.3801 1.3801 1.3821 1.3821 5.1990 5.1990 5.5469 5.5469 5.5480 5.5480 5.5987 5.5987 5.5994 5.5994 5.6009 5.6009 6.7163 6.7163 6.7377 6.7377 6.7453 6.7453 7.9472 7.9472 k = 0.4643 0.5000 0.4643 ( 5564 PWs) bands (ev): -24.2798 -24.2798 -17.9037 -17.9037 -17.9025 -17.9025 -17.9006 -17.9006 -16.0472 -16.0472 -16.0454 -16.0454 -16.0453 -16.0453 -7.9900 -7.9900 -7.7331 -7.7331 -7.7306 -7.7306 -6.7816 -6.7816 -6.7796 -6.7796 -6.7713 -6.7713 -3.7857 -3.7857 -3.7705 -3.7705 -3.7664 -3.7664 -3.5853 -3.5853 -3.5827 -3.5827 -3.1103 -3.1103 -2.8820 -2.8820 -2.8808 -2.8808 -2.6226 -2.6226 -1.2209 -1.2209 -1.2194 -1.2194 -1.1979 -1.1979 -0.4545 -0.4545 -0.4431 -0.4431 0.2961 0.2961 1.0203 1.0203 1.0283 1.0283 1.0346 1.0346 1.3793 1.3793 1.3838 1.3838 5.1958 5.1958 5.5435 5.5435 5.5461 5.5461 5.5958 5.5958 5.5968 5.5968 5.6002 5.6002 6.7052 6.7052 6.7271 6.7271 6.7444 6.7444 7.9422 7.9422 k = 0.4524 0.5000 0.4524 ( 5564 PWs) bands (ev): -24.2798 -24.2798 -17.9052 -17.9052 -17.9033 -17.9033 -17.9000 -17.9000 -16.0470 -16.0470 -16.0437 -16.0437 -16.0437 -16.0437 -7.9912 -7.9912 -7.7357 -7.7357 -7.7314 -7.7314 -6.7887 -6.7887 -6.7855 -6.7855 -6.7707 -6.7707 -3.7858 -3.7858 -3.7590 -3.7590 -3.7537 -3.7537 -3.5843 -3.5843 -3.5795 -3.5795 -3.1038 -3.1038 -2.8822 -2.8822 -2.8802 -2.8802 -2.6232 -2.6232 -1.2258 -1.2258 -1.2232 -1.2232 -1.2020 -1.2020 -0.4684 -0.4684 -0.4485 -0.4485 0.3053 0.3053 1.0259 1.0259 1.0334 1.0334 1.0451 1.0451 1.3782 1.3782 1.3862 1.3862 5.1914 5.1914 5.5387 5.5387 5.5434 5.5434 5.5916 5.5916 5.5932 5.5932 5.5995 5.5995 6.6875 6.6875 6.7137 6.7137 6.7443 6.7443 7.9353 7.9353 k = 0.4405 0.5000 0.4405 ( 5568 PWs) bands (ev): -24.2799 -24.2799 -17.9072 -17.9072 -17.9044 -17.9044 -17.8992 -17.8992 -16.0468 -16.0468 -16.0417 -16.0417 -16.0415 -16.0415 -7.9928 -7.9928 -7.7391 -7.7391 -7.7324 -7.7324 -6.7977 -6.7977 -6.7930 -6.7930 -6.7699 -6.7699 -3.7863 -3.7863 -3.7444 -3.7444 -3.7375 -3.7375 -3.5830 -3.5830 -3.5755 -3.5755 -3.0955 -3.0955 -2.8824 -2.8824 -2.8794 -2.8794 -2.6239 -2.6239 -1.2320 -1.2320 -1.2280 -1.2280 -1.2071 -1.2071 -0.4858 -0.4858 -0.4553 -0.4553 0.3170 0.3170 1.0328 1.0328 1.0398 1.0398 1.0584 1.0584 1.3768 1.3768 1.3892 1.3892 5.1857 5.1857 5.5325 5.5325 5.5400 5.5400 5.5863 5.5863 5.5886 5.5886 5.5986 5.5986 6.6634 6.6634 6.6977 6.6977 6.7448 6.7448 7.9263 7.9263 k = 0.4286 0.5000 0.4286 ( 5558 PWs) bands (ev): -24.2799 -24.2799 -17.9097 -17.9097 -17.9057 -17.9057 -17.8983 -17.8983 -16.0465 -16.0465 -16.0392 -16.0392 -16.0390 -16.0390 -7.9947 -7.9947 -7.7431 -7.7431 -7.7335 -7.7335 -6.8085 -6.8085 -6.8020 -6.8020 -6.7690 -6.7690 -3.7869 -3.7869 -3.7267 -3.7267 -3.7179 -3.7179 -3.5814 -3.5814 -3.5704 -3.5704 -3.0854 -3.0854 -2.8826 -2.8826 -2.8782 -2.8782 -2.6247 -2.6247 -1.2394 -1.2394 -1.2340 -1.2340 -1.2131 -1.2131 -0.5063 -0.5063 -0.4636 -0.4636 0.3311 0.3311 1.0408 1.0408 1.0475 1.0475 1.0742 1.0742 1.3752 1.3752 1.3927 1.3927 5.1788 5.1788 5.5249 5.5249 5.5358 5.5358 5.5798 5.5798 5.5831 5.5831 5.5978 5.5978 6.6337 6.6337 6.6788 6.6788 6.7458 6.7458 7.9154 7.9154 k = 0.4167 0.5000 0.4167 ( 5562 PWs) bands (ev): -24.2799 -24.2799 -17.9125 -17.9125 -17.9071 -17.9071 -17.8971 -17.8971 -16.0461 -16.0461 -16.0362 -16.0362 -16.0360 -16.0360 -7.9970 -7.9970 -7.7478 -7.7478 -7.7349 -7.7349 -6.8209 -6.8209 -6.8126 -6.8126 -6.7679 -6.7679 -3.7876 -3.7876 -3.7062 -3.7062 -3.6953 -3.6953 -3.5797 -3.5797 -3.5645 -3.5645 -3.0735 -3.0735 -2.8828 -2.8828 -2.8770 -2.8770 -2.6256 -2.6256 -1.2481 -1.2481 -1.2411 -1.2411 -1.2199 -1.2199 -0.5297 -0.5297 -0.4733 -0.4733 0.3475 0.3475 1.0499 1.0499 1.0565 1.0565 1.0921 1.0921 1.3732 1.3732 1.3968 1.3968 5.1705 5.1705 5.5160 5.5160 5.5310 5.5310 5.5722 5.5722 5.5768 5.5768 5.5971 5.5971 6.5991 6.5991 6.6570 6.6570 6.7470 6.7470 7.9025 7.9025 k = 0.4048 0.5000 0.4048 ( 5570 PWs) bands (ev): -24.2800 -24.2800 -17.9157 -17.9157 -17.9088 -17.9088 -17.8959 -17.8959 -16.0457 -16.0457 -16.0329 -16.0329 -16.0327 -16.0327 -7.9996 -7.9996 -7.7531 -7.7531 -7.7363 -7.7363 -6.8347 -6.8347 -6.8247 -6.8247 -6.7667 -6.7667 -3.7884 -3.7884 -3.6830 -3.6830 -3.6699 -3.6699 -3.5778 -3.5778 -3.5575 -3.5575 -3.0599 -3.0599 -2.8829 -2.8829 -2.8755 -2.8755 -2.6267 -2.6267 -1.2581 -1.2581 -1.2494 -1.2494 -1.2275 -1.2275 -0.5555 -0.5555 -0.4844 -0.4844 0.3660 0.3660 1.0602 1.0602 1.0666 1.0666 1.1118 1.1118 1.3710 1.3710 1.4014 1.4014 5.1610 5.1610 5.5058 5.5058 5.5255 5.5255 5.5636 5.5636 5.5697 5.5697 5.5965 5.5965 6.5602 6.5602 6.6322 6.6322 6.7484 6.7484 7.8878 7.8878 k = 0.3929 0.5000 0.3929 ( 5574 PWs) bands (ev): -24.2800 -24.2800 -17.9193 -17.9193 -17.9106 -17.9106 -17.8944 -17.8944 -16.0452 -16.0452 -16.0292 -16.0292 -16.0289 -16.0289 -8.0024 -8.0024 -7.7590 -7.7590 -7.7379 -7.7379 -6.8499 -6.8499 -6.8381 -6.8381 -6.7653 -6.7653 -3.7892 -3.7892 -3.6571 -3.6571 -3.6422 -3.6422 -3.5757 -3.5757 -3.5492 -3.5492 -3.0447 -3.0447 -2.8827 -2.8827 -2.8737 -2.8737 -2.6278 -2.6278 -1.2694 -1.2694 -1.2587 -1.2587 -1.2356 -1.2356 -0.5834 -0.5834 -0.4968 -0.4968 0.3865 0.3865 1.0715 1.0715 1.0777 1.0777 1.1329 1.1329 1.3685 1.3685 1.4064 1.4064 5.1502 5.1502 5.4943 5.4943 5.5194 5.5194 5.5539 5.5539 5.5620 5.5620 5.5960 5.5960 6.5174 6.5174 6.6047 6.6047 6.7496 6.7496 7.8713 7.8713 k = 0.3810 0.5000 0.3810 ( 5578 PWs) bands (ev): -24.2801 -24.2801 -17.9233 -17.9233 -17.9126 -17.9126 -17.8928 -17.8928 -16.0447 -16.0447 -16.0252 -16.0252 -16.0248 -16.0248 -8.0056 -8.0056 -7.7654 -7.7654 -7.7395 -7.7395 -6.8661 -6.8661 -6.8529 -6.8529 -6.7638 -6.7638 -3.7901 -3.7901 -3.6289 -3.6289 -3.6131 -3.6131 -3.5733 -3.5733 -3.5392 -3.5392 -3.0281 -3.0281 -2.8822 -2.8822 -2.8716 -2.8716 -2.6290 -2.6290 -1.2821 -1.2821 -1.2689 -1.2689 -1.2442 -1.2442 -0.6129 -0.6129 -0.5103 -0.5103 0.4088 0.4088 1.0837 1.0837 1.0898 1.0898 1.1550 1.1550 1.3657 1.3657 1.4118 1.4118 5.1381 5.1381 5.4817 5.4817 5.5128 5.5128 5.5433 5.5433 5.5536 5.5536 5.5958 5.5958 6.4715 6.4715 6.5744 6.5744 6.7507 6.7507 7.8532 7.8532 k = 0.3690 0.5000 0.3690 ( 5574 PWs) bands (ev): -24.2801 -24.2801 -17.9275 -17.9275 -17.9148 -17.9148 -17.8911 -17.8911 -16.0442 -16.0442 -16.0209 -16.0209 -16.0204 -16.0204 -8.0091 -8.0091 -7.7722 -7.7722 -7.7413 -7.7413 -6.8834 -6.8834 -6.8690 -6.8690 -6.7621 -6.7621 -3.7911 -3.7911 -3.5989 -3.5989 -3.5844 -3.5844 -3.5697 -3.5697 -3.5261 -3.5261 -3.0103 -3.0103 -2.8810 -2.8810 -2.8691 -2.8691 -2.6302 -2.6302 -1.2962 -1.2962 -1.2799 -1.2799 -1.2532 -1.2532 -0.6437 -0.6437 -0.5251 -0.5251 0.4329 0.4329 1.0968 1.0968 1.1027 1.1027 1.1779 1.1779 1.3628 1.3628 1.4174 1.4174 5.1248 5.1248 5.4681 5.4681 5.5057 5.5057 5.5318 5.5318 5.5448 5.5448 5.5958 5.5958 6.4228 6.4228 6.5416 6.5416 6.7515 6.7515 7.8337 7.8337 k = 0.3571 0.5000 0.3571 ( 5584 PWs) bands (ev): -24.2802 -24.2802 -17.9320 -17.9320 -17.9171 -17.9171 -17.8893 -17.8893 -16.0436 -16.0436 -16.0162 -16.0162 -16.0157 -16.0157 -8.0128 -8.0128 -7.7795 -7.7795 -7.7430 -7.7430 -6.9014 -6.9014 -6.8863 -6.8863 -6.7604 -6.7604 -3.7920 -3.7920 -3.5744 -3.5744 -3.5626 -3.5626 -3.5547 -3.5547 -3.5073 -3.5073 -2.9919 -2.9919 -2.8787 -2.8787 -2.8662 -2.8662 -2.6314 -2.6314 -1.3119 -1.3119 -1.2914 -1.2914 -1.2627 -1.2627 -0.6754 -0.6754 -0.5410 -0.5410 0.4584 0.4584 1.1106 1.1106 1.1164 1.1164 1.2013 1.2013 1.3597 1.3597 1.4233 1.4233 5.1102 5.1102 5.4535 5.4535 5.4980 5.4980 5.5194 5.5194 5.5356 5.5356 5.5959 5.5959 6.3719 6.3719 6.5065 6.5065 6.7518 6.7518 7.8128 7.8128 k = 0.3452 0.5000 0.3452 ( 5580 PWs) bands (ev): -24.2803 -24.2803 -17.9368 -17.9368 -17.9195 -17.9195 -17.8873 -17.8873 -16.0430 -16.0430 -16.0113 -16.0113 -16.0108 -16.0108 -8.0167 -8.0167 -7.7871 -7.7871 -7.7448 -7.7448 -6.9201 -6.9201 -6.9045 -6.9045 -6.7585 -6.7585 -3.7929 -3.7929 -3.5693 -3.5693 -3.5382 -3.5382 -3.5268 -3.5268 -3.4802 -3.4802 -2.9737 -2.9737 -2.8745 -2.8745 -2.8628 -2.8628 -2.6325 -2.6325 -1.3293 -1.3293 -1.3032 -1.3032 -1.2725 -1.2725 -0.7077 -0.7077 -0.5579 -0.5579 0.4854 0.4854 1.1249 1.1249 1.1308 1.1308 1.2248 1.2248 1.3564 1.3564 1.4293 1.4293 5.0944 5.0944 5.4381 5.4381 5.4900 5.4900 5.5061 5.5061 5.5261 5.5261 5.5963 5.5963 6.3192 6.3192 6.4692 6.4692 6.7515 6.7515 7.7909 7.7909 k = 0.3333 0.5000 0.3333 ( 5584 PWs) bands (ev): -24.2803 -24.2803 -17.9418 -17.9418 -17.9220 -17.9220 -17.8853 -17.8853 -16.0424 -16.0424 -16.0062 -16.0062 -16.0056 -16.0056 -8.0209 -8.0209 -7.7949 -7.7949 -7.7466 -7.7466 -6.9394 -6.9394 -6.9237 -6.9237 -6.7565 -6.7565 -3.7939 -3.7939 -3.5667 -3.5667 -3.5221 -3.5221 -3.4912 -3.4912 -3.4462 -3.4462 -2.9571 -2.9571 -2.8677 -2.8677 -2.8582 -2.8582 -2.6337 -2.6337 -1.3484 -1.3484 -1.3152 -1.3152 -1.2827 -1.2827 -0.7403 -0.7403 -0.5757 -0.5757 0.5135 0.5135 1.1396 1.1396 1.1458 1.1458 1.2483 1.2483 1.3530 1.3530 1.4353 1.4353 5.0773 5.0773 5.4219 5.4219 5.4814 5.4814 5.4922 5.4922 5.5165 5.5165 5.5970 5.5970 6.2653 6.2653 6.4299 6.4299 6.7506 6.7506 7.7681 7.7681 k = 0.3214 0.5000 0.3214 ( 5578 PWs) bands (ev): -24.2804 -24.2804 -17.9470 -17.9470 -17.9246 -17.9246 -17.8831 -17.8831 -16.0417 -16.0417 -16.0009 -16.0009 -16.0002 -16.0002 -8.0252 -8.0252 -7.8030 -7.8030 -7.7483 -7.7483 -6.9593 -6.9593 -6.9435 -6.9435 -6.7545 -6.7545 -3.7947 -3.7947 -3.5644 -3.5644 -3.5086 -3.5086 -3.4530 -3.4530 -3.4083 -3.4083 -2.9437 -2.9437 -2.8595 -2.8595 -2.8497 -2.8497 -2.6347 -2.6347 -1.3692 -1.3692 -1.3273 -1.3273 -1.2931 -1.2931 -0.7730 -0.7730 -0.5944 -0.5944 0.5427 0.5427 1.1546 1.1546 1.1615 1.1615 1.2714 1.2714 1.3495 1.3495 1.4412 1.4412 5.0590 5.0590 5.4052 5.4052 5.4718 5.4718 5.4782 5.4782 5.5068 5.5068 5.5978 5.5978 6.2107 6.2107 6.3890 6.3890 6.7488 6.7488 7.7446 7.7446 k = 0.3095 0.5000 0.3095 ( 5574 PWs) bands (ev): -24.2805 -24.2805 -17.9524 -17.9524 -17.9273 -17.9273 -17.8809 -17.8809 -16.0410 -16.0410 -15.9954 -15.9954 -15.9946 -15.9946 -8.0297 -8.0297 -7.8112 -7.8112 -7.7499 -7.7499 -6.9797 -6.9797 -6.9637 -6.9637 -6.7524 -6.7524 -3.7956 -3.7956 -3.5623 -3.5623 -3.4958 -3.4958 -3.4132 -3.4132 -3.3683 -3.3683 -2.9344 -2.9344 -2.8533 -2.8533 -2.8329 -2.8329 -2.6356 -2.6356 -1.3916 -1.3916 -1.3394 -1.3394 -1.3039 -1.3039 -0.8053 -0.8053 -0.6139 -0.6139 0.5728 0.5728 1.1697 1.1697 1.1776 1.1776 1.2939 1.2939 1.3460 1.3460 1.4471 1.4471 5.0395 5.0395 5.3880 5.3880 5.4591 5.4591 5.4662 5.4662 5.4973 5.4973 5.5989 5.5989 6.1558 6.1558 6.3466 6.3466 6.7461 6.7461 7.7209 7.7209 k = 0.2976 0.5000 0.2976 ( 5572 PWs) bands (ev): -24.2805 -24.2805 -17.9579 -17.9579 -17.9300 -17.9300 -17.8786 -17.8786 -16.0403 -16.0403 -15.9898 -15.9898 -15.9889 -15.9889 -8.0343 -8.0343 -7.8195 -7.8195 -7.7515 -7.7515 -7.0010 -7.0010 -6.9840 -6.9840 -6.7503 -6.7503 -3.7963 -3.7963 -3.5603 -3.5603 -3.4833 -3.4833 -3.3722 -3.3722 -3.3271 -3.3271 -2.9287 -2.9287 -2.8477 -2.8477 -2.8098 -2.8098 -2.6363 -2.6363 -1.4157 -1.4157 -1.3514 -1.3514 -1.3149 -1.3149 -0.8372 -0.8372 -0.6342 -0.6342 0.6036 0.6036 1.1849 1.1849 1.1941 1.1941 1.3152 1.3152 1.3429 1.3429 1.4527 1.4527 5.0189 5.0189 5.3705 5.3705 5.4435 5.4435 5.4562 5.4562 5.4878 5.4878 5.6000 5.6000 6.1012 6.1012 6.3029 6.3029 6.7423 6.7423 7.6970 7.6970 k = 0.2857 0.5000 0.2857 ( 5572 PWs) bands (ev): -24.2806 -24.2806 -17.9635 -17.9635 -17.9328 -17.9328 -17.8762 -17.8762 -16.0395 -16.0395 -15.9841 -15.9841 -15.9832 -15.9832 -8.0391 -8.0391 -7.8277 -7.8277 -7.7529 -7.7529 -7.0231 -7.0231 -7.0039 -7.0039 -6.7481 -6.7481 -3.7970 -3.7970 -3.5584 -3.5584 -3.4708 -3.4708 -3.3300 -3.3300 -3.2851 -3.2851 -2.9257 -2.9257 -2.8419 -2.8419 -2.7824 -2.7824 -2.6369 -2.6369 -1.4413 -1.4413 -1.3632 -1.3632 -1.3262 -1.3262 -0.8685 -0.8685 -0.6551 -0.6551 0.6350 0.6350 1.2000 1.2000 1.2110 1.2110 1.3318 1.3318 1.3438 1.3438 1.4581 1.4581 4.9971 4.9971 5.3527 5.3527 5.4266 5.4266 5.4464 5.4464 5.4787 5.4787 5.6013 5.6013 6.0473 6.0473 6.2583 6.2583 6.7375 6.7375 7.6733 7.6733 k = 0.2738 0.5000 0.2738 ( 5566 PWs) bands (ev): -24.2807 -24.2807 -17.9691 -17.9691 -17.9355 -17.9355 -17.8738 -17.8738 -16.0388 -16.0388 -15.9784 -15.9784 -15.9773 -15.9773 -8.0439 -8.0439 -7.8357 -7.8357 -7.7543 -7.7543 -7.0463 -7.0463 -7.0232 -7.0232 -6.7458 -6.7458 -3.7976 -3.7976 -3.5566 -3.5566 -3.4582 -3.4582 -3.2870 -3.2870 -3.2428 -3.2428 -2.9242 -2.9242 -2.8355 -2.8355 -2.7521 -2.7521 -2.6371 -2.6371 -1.4683 -1.4683 -1.3747 -1.3747 -1.3376 -1.3376 -0.8990 -0.8990 -0.6765 -0.6765 0.6667 0.6667 1.2149 1.2149 1.2280 1.2280 1.3327 1.3327 1.3594 1.3594 1.4631 1.4631 4.9743 4.9743 5.3349 5.3349 5.4091 5.4091 5.4365 5.4365 5.4699 5.4699 5.6024 5.6024 5.9946 5.9946 6.2129 6.2129 6.7314 6.7314 7.6500 7.6500 k = 0.2619 0.5000 0.2619 ( 5552 PWs) bands (ev): -24.2808 -24.2808 -17.9748 -17.9748 -17.9383 -17.9383 -17.8713 -17.8713 -16.0380 -16.0380 -15.9726 -15.9726 -15.9715 -15.9715 -8.0488 -8.0488 -7.8435 -7.8435 -7.7555 -7.7555 -7.0703 -7.0703 -7.0418 -7.0418 -6.7436 -6.7436 -3.7981 -3.7981 -3.5548 -3.5548 -3.4454 -3.4454 -3.2434 -3.2434 -3.2004 -3.2004 -2.9236 -2.9236 -2.8283 -2.8283 -2.7199 -2.7199 -2.6368 -2.6368 -1.4967 -1.4967 -1.3859 -1.3859 -1.3492 -1.3492 -0.9287 -0.9287 -0.6985 -0.6985 0.6987 0.6987 1.2295 1.2295 1.2451 1.2451 1.3298 1.3298 1.3778 1.3778 1.4678 1.4678 4.9504 4.9504 5.3171 5.3171 5.3909 5.3909 5.4263 5.4263 5.4616 5.4616 5.6034 5.6034 5.9438 5.9438 6.1672 6.1672 6.7240 6.7240 7.6273 7.6273 k = 0.2500 0.5000 0.2500 ( 5558 PWs) bands (ev): -24.2809 -24.2809 -17.9804 -17.9804 -17.9411 -17.9411 -17.8689 -17.8689 -16.0372 -16.0372 -15.9668 -15.9668 -15.9656 -15.9656 -8.0539 -8.0539 -7.8510 -7.8510 -7.7566 -7.7566 -7.0951 -7.0951 -7.0596 -7.0596 -6.7413 -6.7413 -3.7986 -3.7986 -3.5533 -3.5533 -3.4327 -3.4327 -3.1994 -3.1994 -3.1583 -3.1583 -2.9238 -2.9238 -2.8205 -2.8205 -2.6872 -2.6872 -2.6352 -2.6352 -1.5261 -1.5261 -1.3967 -1.3967 -1.3609 -1.3609 -0.9575 -0.9575 -0.7208 -0.7208 0.7308 0.7308 1.2436 1.2436 1.2621 1.2621 1.3266 1.3266 1.3954 1.3954 1.4720 1.4720 4.9255 4.9255 5.2996 5.2996 5.3723 5.3723 5.4157 5.4157 5.4537 5.4537 5.6039 5.6039 5.8955 5.8955 6.1212 6.1212 6.7154 6.7154 7.6055 7.6055 k = 0.2381 0.5000 0.2381 ( 5548 PWs) bands (ev): -24.2809 -24.2809 -17.9861 -17.9861 -17.9438 -17.9438 -17.8664 -17.8664 -16.0365 -16.0365 -15.9611 -15.9611 -15.9598 -15.9598 -8.0590 -8.0590 -7.8581 -7.8581 -7.7575 -7.7575 -7.1205 -7.1205 -7.0766 -7.0766 -6.7391 -6.7391 -3.7989 -3.7989 -3.5517 -3.5517 -3.4199 -3.4199 -3.1552 -3.1552 -3.1168 -3.1168 -2.9242 -2.9242 -2.8118 -2.8118 -2.6585 -2.6585 -2.6281 -2.6281 -1.5564 -1.5564 -1.4071 -1.4071 -1.3726 -1.3726 -0.9853 -0.9853 -0.7434 -0.7434 0.7629 0.7629 1.2570 1.2570 1.2790 1.2790 1.3239 1.3239 1.4119 1.4119 1.4759 1.4759 4.8997 4.8997 5.2823 5.2823 5.3533 5.3533 5.4048 5.4048 5.4463 5.4463 5.6036 5.6036 5.8504 5.8504 6.0754 6.0754 6.7055 6.7055 7.5847 7.5847 k = 0.2262 0.5000 0.2262 ( 5552 PWs) bands (ev): -24.2810 -24.2810 -17.9916 -17.9916 -17.9465 -17.9465 -17.8640 -17.8640 -16.0357 -16.0357 -15.9554 -15.9554 -15.9540 -15.9540 -8.0642 -8.0642 -7.8645 -7.8645 -7.7582 -7.7582 -7.1464 -7.1464 -7.0929 -7.0929 -6.7369 -6.7369 -3.7991 -3.7991 -3.5504 -3.5504 -3.4073 -3.4073 -3.1111 -3.1111 -3.0760 -3.0760 -2.9250 -2.9250 -2.8022 -2.8022 -2.6462 -2.6462 -2.6037 -2.6037 -1.5873 -1.5873 -1.4172 -1.4172 -1.3844 -1.3844 -1.0123 -1.0123 -0.7662 -0.7662 0.7947 0.7947 1.2693 1.2693 1.2955 1.2955 1.3220 1.3220 1.4270 1.4270 1.4793 1.4793 4.8732 4.8732 5.2654 5.2654 5.3340 5.3340 5.3932 5.3932 5.4395 5.4395 5.6018 5.6018 5.8095 5.8095 6.0299 6.0299 6.6944 6.6944 7.5651 7.5651 k = 0.2143 0.5000 0.2143 ( 5548 PWs) bands (ev): -24.2811 -24.2811 -17.9971 -17.9971 -17.9491 -17.9491 -17.8615 -17.8615 -16.0349 -16.0349 -15.9499 -15.9499 -15.9484 -15.9484 -8.0695 -8.0695 -7.8704 -7.8704 -7.7588 -7.7588 -7.1726 -7.1726 -7.1084 -7.1084 -6.7347 -6.7347 -3.7993 -3.7993 -3.5491 -3.5491 -3.3947 -3.3947 -3.0671 -3.0671 -3.0364 -3.0364 -2.9258 -2.9258 -2.7915 -2.7915 -2.6430 -2.6430 -2.5693 -2.5693 -1.6184 -1.6184 -1.4267 -1.4267 -1.3962 -1.3962 -1.0384 -1.0384 -0.7891 -0.7891 0.8261 0.8261 1.2798 1.2798 1.3107 1.3107 1.3224 1.3224 1.4407 1.4407 1.4825 1.4825 4.8460 4.8460 5.2490 5.2490 5.3144 5.3144 5.3810 5.3810 5.4334 5.4334 5.5978 5.5978 5.7740 5.7740 5.9851 5.9851 6.6821 6.6821 7.5469 7.5469 k = 0.2024 0.5000 0.2024 ( 5560 PWs) bands (ev): -24.2812 -24.2812 -18.0024 -18.0024 -17.9517 -17.9517 -17.8591 -17.8591 -16.0342 -16.0342 -15.9444 -15.9444 -15.9428 -15.9428 -8.0749 -8.0749 -7.8755 -7.8755 -7.7591 -7.7591 -7.1990 -7.1990 -7.1230 -7.1230 -6.7325 -6.7325 -3.7993 -3.7993 -3.5479 -3.5479 -3.3823 -3.3823 -3.0237 -3.0237 -2.9981 -2.9981 -2.9267 -2.9267 -2.7799 -2.7799 -2.6416 -2.6416 -2.5330 -2.5330 -1.6495 -1.6495 -1.4358 -1.4358 -1.4079 -1.4079 -1.0637 -1.0637 -0.8120 -0.8120 0.8570 0.8570 1.2873 1.2873 1.3196 1.3196 1.3312 1.3312 1.4528 1.4528 1.4854 1.4854 4.8183 4.8183 5.2333 5.2333 5.2947 5.2947 5.3680 5.3680 5.4278 5.4278 5.5905 5.5905 5.7451 5.7451 5.9413 5.9413 6.6687 6.6687 7.5300 7.5300 k = 0.1905 0.5000 0.1905 ( 5568 PWs) bands (ev): -24.2813 -24.2813 -18.0076 -18.0076 -17.9542 -17.9542 -17.8568 -17.8568 -16.0335 -16.0335 -15.9391 -15.9391 -15.9375 -15.9375 -8.0803 -8.0803 -7.8798 -7.8798 -7.7592 -7.7592 -7.2255 -7.2255 -7.1369 -7.1369 -6.7304 -6.7304 -3.7993 -3.7993 -3.5468 -3.5468 -3.3702 -3.3702 -2.9811 -2.9811 -2.9616 -2.9616 -2.9273 -2.9273 -2.7671 -2.7671 -2.6406 -2.6406 -2.4965 -2.4965 -1.6800 -1.6800 -1.4445 -1.4445 -1.4195 -1.4195 -1.0884 -1.0884 -0.8348 -0.8348 0.8873 0.8873 1.2911 1.2911 1.3253 1.3253 1.3459 1.3459 1.4634 1.4634 1.4882 1.4882 4.7902 4.7902 5.2182 5.2182 5.2750 5.2750 5.3541 5.3541 5.4228 5.4228 5.5793 5.5793 5.7238 5.7238 5.8986 5.8986 6.6545 6.6545 7.5145 7.5145 k = 0.1786 0.5000 0.1786 ( 5556 PWs) bands (ev): -24.2813 -24.2813 -18.0127 -18.0127 -17.9566 -17.9566 -17.8545 -17.8545 -16.0328 -16.0328 -15.9341 -15.9341 -15.9323 -15.9323 -8.0858 -8.0858 -7.8831 -7.8831 -7.7591 -7.7591 -7.2520 -7.2520 -7.1498 -7.1498 -6.7284 -6.7284 -3.7991 -3.7991 -3.5458 -3.5458 -3.3584 -3.3584 -2.9403 -2.9403 -2.9324 -2.9324 -2.9212 -2.9212 -2.7531 -2.7531 -2.6394 -2.6394 -2.4607 -2.4607 -1.7094 -1.7094 -1.4527 -1.4527 -1.4308 -1.4308 -1.1124 -1.1124 -0.8573 -0.8573 0.9167 0.9167 1.2918 1.2918 1.3326 1.3326 1.3609 1.3609 1.4720 1.4720 1.4913 1.4913 4.7622 4.7622 5.2038 5.2038 5.2555 5.2555 5.3393 5.3393 5.4185 5.4185 5.5645 5.5645 5.7099 5.7099 5.8573 5.8573 6.6396 6.6396 7.5004 7.5004 k = 0.1667 0.5000 0.1667 ( 5568 PWs) bands (ev): -24.2814 -24.2814 -18.0175 -18.0175 -17.9588 -17.9588 -17.8523 -17.8523 -16.0321 -16.0321 -15.9292 -15.9292 -15.9273 -15.9273 -8.0913 -8.0913 -7.8857 -7.8857 -7.7587 -7.7587 -7.2783 -7.2783 -7.1619 -7.1619 -6.7264 -6.7264 -3.7990 -3.7990 -3.5449 -3.5449 -3.3471 -3.3471 -2.9318 -2.9318 -2.8981 -2.8981 -2.8911 -2.8911 -2.7381 -2.7381 -2.6383 -2.6383 -2.4263 -2.4263 -1.7372 -1.7372 -1.4606 -1.4606 -1.4418 -1.4418 -1.1359 -1.1359 -0.8794 -0.8794 0.9452 0.9452 1.2909 1.2909 1.3404 1.3404 1.3755 1.3755 1.4786 1.4786 1.4951 1.4951 4.7342 4.7342 5.1902 5.1902 5.2361 5.2361 5.3235 5.3235 5.4148 5.4148 5.5477 5.5477 5.7020 5.7020 5.8178 5.8178 6.6242 6.6242 7.4877 7.4877 k = 0.1548 0.5000 0.1548 ( 5552 PWs) bands (ev): -24.2815 -24.2815 -18.0221 -18.0221 -17.9610 -17.9610 -17.8502 -17.8502 -16.0314 -16.0314 -15.9245 -15.9245 -15.9226 -15.9226 -8.0969 -8.0969 -7.8872 -7.8872 -7.7580 -7.7580 -7.3044 -7.3044 -7.1732 -7.1732 -6.7245 -6.7245 -3.7987 -3.7987 -3.5440 -3.5440 -3.3361 -3.3361 -2.9324 -2.9324 -2.8602 -2.8602 -2.8587 -2.8587 -2.7218 -2.7218 -2.6370 -2.6370 -2.3942 -2.3942 -1.7626 -1.7626 -1.4682 -1.4682 -1.4523 -1.4523 -1.1590 -1.1590 -0.9009 -0.9009 0.9725 0.9725 1.2895 1.2895 1.3478 1.3478 1.3895 1.3895 1.4833 1.4833 1.4995 1.4995 4.7066 4.7066 5.1775 5.1775 5.2171 5.2171 5.3069 5.3069 5.4116 5.4116 5.5305 5.5305 5.6983 5.6983 5.7802 5.7802 6.6085 6.6085 7.4764 7.4764 k = 0.1429 0.5000 0.1429 ( 5548 PWs) bands (ev): -24.2816 -24.2816 -18.0264 -18.0264 -17.9630 -17.9630 -17.8482 -17.8482 -16.0308 -16.0308 -15.9201 -15.9201 -15.9181 -15.9181 -8.1023 -8.1023 -7.8879 -7.8879 -7.7570 -7.7570 -7.3300 -7.3300 -7.1836 -7.1836 -6.7228 -6.7228 -3.7984 -3.7984 -3.5432 -3.5432 -3.3257 -3.3257 -2.9332 -2.9332 -2.8306 -2.8306 -2.8213 -2.8213 -2.7048 -2.7048 -2.6354 -2.6354 -2.3652 -2.3652 -1.7848 -1.7848 -1.4758 -1.4758 -1.4620 -1.4620 -1.1818 -1.1818 -0.9217 -0.9217 0.9986 0.9986 1.2880 1.2880 1.3542 1.3542 1.4028 1.4028 1.4867 1.4867 1.5041 1.5041 4.6797 4.6797 5.1656 5.1656 5.1987 5.1987 5.2898 5.2898 5.4089 5.4089 5.5142 5.5142 5.6971 5.6971 5.7448 5.7448 6.5927 6.5927 7.4664 7.4664 k = 0.1310 0.5000 0.1310 ( 5548 PWs) bands (ev): -24.2816 -24.2816 -18.0305 -18.0305 -17.9649 -17.9649 -17.8463 -17.8463 -16.0302 -16.0302 -15.9160 -15.9160 -15.9140 -15.9140 -8.1077 -8.1077 -7.8878 -7.8878 -7.7556 -7.7556 -7.3552 -7.3552 -7.1931 -7.1931 -6.7211 -6.7211 -3.7981 -3.7981 -3.5425 -3.5425 -3.3160 -3.3160 -2.9341 -2.9341 -2.8031 -2.8031 -2.7857 -2.7857 -2.6873 -2.6873 -2.6335 -2.6335 -2.3404 -2.3404 -1.8029 -1.8029 -1.4837 -1.4837 -1.4706 -1.4706 -1.2043 -1.2043 -0.9416 -0.9416 1.0233 1.0233 1.2866 1.2866 1.3594 1.3594 1.4154 1.4154 1.4895 1.4895 1.5084 1.5084 4.6537 4.6537 5.1545 5.1545 5.1809 5.1809 5.2724 5.2724 5.4067 5.4067 5.4995 5.4995 5.6967 5.6967 5.7125 5.7125 6.5771 6.5771 7.4576 7.4576 k = 0.1190 0.5000 0.1190 ( 5544 PWs) bands (ev): -24.2817 -24.2817 -18.0343 -18.0343 -17.9667 -17.9667 -17.8445 -17.8445 -16.0297 -16.0297 -15.9122 -15.9122 -15.9101 -15.9101 -8.1129 -8.1129 -7.8870 -7.8870 -7.7538 -7.7538 -7.3796 -7.3796 -7.2018 -7.2018 -6.7195 -6.7195 -3.7977 -3.7977 -3.5418 -3.5418 -3.3070 -3.3070 -2.9349 -2.9349 -2.7773 -2.7773 -2.7521 -2.7521 -2.6700 -2.6700 -2.6308 -2.6308 -2.3206 -2.3206 -1.8159 -1.8159 -1.4919 -1.4919 -1.4780 -1.4780 -1.2265 -1.2265 -0.9605 -0.9605 1.0464 1.0464 1.2855 1.2855 1.3632 1.3632 1.4272 1.4272 1.4921 1.4921 1.5122 1.5122 4.6289 4.6289 5.1441 5.1441 5.1642 5.1642 5.2552 5.2552 5.4050 5.4050 5.4866 5.4866 5.6791 5.6791 5.7009 5.7009 6.5619 6.5619 7.4499 7.4499 k = 0.1071 0.5000 0.1071 ( 5542 PWs) bands (ev): -24.2817 -24.2817 -18.0377 -18.0377 -17.9683 -17.9683 -17.8429 -17.8429 -16.0292 -16.0292 -15.9087 -15.9087 -15.9065 -15.9065 -8.1179 -8.1179 -7.8855 -7.8855 -7.7516 -7.7516 -7.4032 -7.4032 -7.2096 -7.2096 -6.7181 -6.7181 -3.7973 -3.7973 -3.5413 -3.5413 -3.2987 -3.2987 -2.9356 -2.9356 -2.7530 -2.7530 -2.7211 -2.7211 -2.6542 -2.6542 -2.6265 -2.6265 -2.3069 -2.3069 -1.8230 -1.8230 -1.5003 -1.5003 -1.4842 -1.4842 -1.2484 -1.2484 -0.9781 -0.9781 1.0678 1.0678 1.2849 1.2849 1.3656 1.3656 1.4381 1.4381 1.4947 1.4947 1.5153 1.5153 4.6056 4.6056 5.1341 5.1341 5.1490 5.1490 5.2385 5.2385 5.4036 5.4036 5.4755 5.4755 5.6514 5.6514 5.7025 5.7025 6.5473 6.5473 7.4432 7.4432 k = 0.0952 0.5000 0.0952 ( 5542 PWs) bands (ev): -24.2818 -24.2818 -18.0409 -18.0409 -17.9698 -17.9698 -17.8414 -17.8414 -16.0287 -16.0287 -15.9055 -15.9055 -15.9032 -15.9032 -8.1225 -8.1225 -7.8836 -7.8836 -7.7489 -7.7489 -7.4257 -7.4257 -7.2165 -7.2165 -6.7168 -6.7168 -3.7969 -3.7969 -3.5408 -3.5408 -3.2911 -3.2911 -2.9363 -2.9363 -2.7302 -2.7302 -2.6930 -2.6930 -2.6422 -2.6422 -2.6185 -2.6185 -2.2994 -2.2994 -1.8241 -1.8241 -1.5085 -1.5085 -1.4896 -1.4896 -1.2700 -1.2700 -0.9944 -0.9944 1.0873 1.0873 1.2848 1.2848 1.3664 1.3664 1.4482 1.4482 1.4973 1.4973 1.5179 1.5179 4.5841 4.5841 5.1240 5.1240 5.1360 5.1360 5.2227 5.2227 5.4025 5.4025 5.4662 5.4662 5.6260 5.6260 5.7048 5.7048 6.5337 6.5337 7.4375 7.4375 k = 0.0833 0.5000 0.0833 ( 5536 PWs) bands (ev): -24.2818 -24.2818 -18.0437 -18.0437 -17.9711 -17.9711 -17.8400 -17.8400 -16.0283 -16.0283 -15.9027 -15.9027 -15.9003 -15.9003 -8.1268 -8.1268 -7.8813 -7.8813 -7.7459 -7.7459 -7.4470 -7.4470 -7.2226 -7.2226 -6.7156 -6.7156 -3.7966 -3.7966 -3.5404 -3.5404 -3.2843 -3.2843 -2.9369 -2.9369 -2.7088 -2.7088 -2.6687 -2.6687 -2.6344 -2.6344 -2.6060 -2.6060 -2.2980 -2.2980 -1.8195 -1.8195 -1.5163 -1.5163 -1.4943 -1.4943 -1.2911 -1.2911 -1.0092 -1.0092 1.1049 1.1049 1.2854 1.2854 1.3660 1.3660 1.4573 1.4573 1.4998 1.4998 1.5199 1.5199 4.5644 4.5644 5.1131 5.1131 5.1261 5.1261 5.2082 5.2082 5.4018 5.4018 5.4583 5.4583 5.6033 5.6033 5.7074 5.7074 6.5211 6.5211 7.4327 7.4327 k = 0.0714 0.5000 0.0714 ( 5554 PWs) bands (ev): -24.2819 -24.2819 -18.0462 -18.0462 -17.9722 -17.9722 -17.8389 -17.8389 -16.0279 -16.0279 -15.9002 -15.9002 -15.8978 -15.8978 -8.1307 -8.1307 -7.8789 -7.8789 -7.7424 -7.7424 -7.4668 -7.4668 -7.2279 -7.2279 -6.7146 -6.7146 -3.7963 -3.7963 -3.5401 -3.5401 -3.2785 -3.2785 -2.9374 -2.9374 -2.6888 -2.6888 -2.6507 -2.6507 -2.6264 -2.6264 -2.5920 -2.5920 -2.3018 -2.3018 -1.8102 -1.8102 -1.5234 -1.5234 -1.4986 -1.4986 -1.3113 -1.3113 -1.0222 -1.0222 1.1202 1.1202 1.2866 1.2866 1.3644 1.3644 1.4654 1.4654 1.5022 1.5022 1.5215 1.5215 4.5470 4.5470 5.1020 5.1020 5.1187 5.1187 5.1951 5.1951 5.4013 5.4013 5.4519 5.4519 5.5835 5.5835 5.7098 5.7098 6.5098 6.5098 7.4286 7.4286 k = 0.0595 0.5000 0.0595 ( 5542 PWs) bands (ev): -24.2819 -24.2819 -18.0483 -18.0483 -17.9732 -17.9732 -17.8379 -17.8379 -16.0276 -16.0276 -15.8981 -15.8981 -15.8957 -15.8957 -8.1341 -8.1341 -7.8766 -7.8766 -7.7387 -7.7387 -7.4847 -7.4847 -7.2324 -7.2324 -6.7137 -6.7137 -3.7959 -3.7959 -3.5397 -3.5397 -3.2735 -3.2735 -2.9378 -2.9378 -2.6705 -2.6705 -2.6413 -2.6413 -2.6139 -2.6139 -2.5782 -2.5782 -2.3094 -2.3094 -1.7975 -1.7975 -1.5297 -1.5297 -1.5026 -1.5026 -1.3303 -1.3303 -1.0335 -1.0335 1.1332 1.1332 1.2885 1.2885 1.3618 1.3618 1.4725 1.4725 1.5041 1.5041 1.5229 1.5229 4.5319 4.5319 5.0919 5.0919 5.1129 5.1129 5.1837 5.1837 5.4009 5.4009 5.4466 5.4466 5.5666 5.5666 5.7121 5.7121 6.4999 6.4999 7.4254 7.4254 k = 0.0476 0.5000 0.0476 ( 5534 PWs) bands (ev): -24.2819 -24.2819 -18.0500 -18.0500 -17.9740 -17.9740 -17.8370 -17.8370 -16.0274 -16.0274 -15.8963 -15.8963 -15.8939 -15.8939 -8.1369 -8.1369 -7.8744 -7.8744 -7.7349 -7.7349 -7.5003 -7.5003 -7.2360 -7.2360 -6.7130 -6.7130 -3.7957 -3.7957 -3.5395 -3.5395 -3.2693 -3.2693 -2.9381 -2.9381 -2.6542 -2.6542 -2.6373 -2.6373 -2.6000 -2.6000 -2.5657 -2.5657 -2.3193 -2.3193 -1.7835 -1.7835 -1.5350 -1.5350 -1.5062 -1.5062 -1.3475 -1.3475 -1.0428 -1.0428 1.1438 1.1438 1.2910 1.2910 1.3587 1.3587 1.4786 1.4786 1.5056 1.5056 1.5240 1.5240 4.5193 4.5193 5.0832 5.0832 5.1085 5.1085 5.1742 5.1742 5.4007 5.4007 5.4425 5.4425 5.5527 5.5527 5.7141 5.7141 6.4916 6.4916 7.4227 7.4227 k = 0.0357 0.5000 0.0357 ( 5538 PWs) bands (ev): -24.2820 -24.2820 -18.0514 -18.0514 -17.9746 -17.9746 -17.8364 -17.8364 -16.0272 -16.0272 -15.8949 -15.8949 -15.8925 -15.8925 -8.1391 -8.1391 -7.8725 -7.8725 -7.7314 -7.7314 -7.5133 -7.5133 -7.2388 -7.2388 -6.7125 -6.7125 -3.7955 -3.7955 -3.5393 -3.5393 -3.2661 -3.2661 -2.9384 -2.9384 -2.6410 -2.6410 -2.6348 -2.6348 -2.5881 -2.5881 -2.5551 -2.5551 -2.3297 -2.3297 -1.7697 -1.7697 -1.5391 -1.5391 -1.5095 -1.5095 -1.3621 -1.3621 -1.0502 -1.0502 1.1520 1.1520 1.2939 1.2939 1.3554 1.3554 1.4836 1.4836 1.5065 1.5065 1.5249 1.5249 4.5094 4.5094 5.0762 5.0762 5.1051 5.1051 5.1666 5.1666 5.4006 5.4006 5.4393 5.4393 5.5418 5.5418 5.7157 5.7157 6.4850 6.4850 7.4207 7.4207 k = 0.0238 0.5000 0.0238 ( 5526 PWs) bands (ev): -24.2820 -24.2820 -18.0524 -18.0524 -17.9750 -17.9750 -17.8359 -17.8359 -16.0270 -16.0270 -15.8940 -15.8940 -15.8915 -15.8915 -8.1407 -8.1407 -7.8711 -7.8711 -7.7284 -7.7284 -7.5231 -7.5231 -7.2408 -7.2408 -6.7120 -6.7120 -3.7953 -3.7953 -3.5392 -3.5392 -3.2637 -3.2637 -2.9385 -2.9385 -2.6352 -2.6352 -2.6290 -2.6290 -2.5792 -2.5792 -2.5467 -2.5467 -2.3389 -2.3389 -1.7582 -1.7582 -1.5422 -1.5422 -1.5122 -1.5122 -1.3734 -1.3734 -1.0555 -1.0555 1.1578 1.1578 1.2966 1.2966 1.3522 1.3522 1.4874 1.4874 1.5069 1.5069 1.5256 1.5256 4.5022 4.5022 5.0711 5.0711 5.1027 5.1027 5.1612 5.1612 5.4006 5.4006 5.4371 5.4371 5.5340 5.5340 5.7169 5.7169 6.4802 6.4802 7.4193 7.4193 k = 0.0119 0.5000 0.0119 ( 5538 PWs) bands (ev): -24.2820 -24.2820 -18.0530 -18.0530 -17.9753 -17.9753 -17.8356 -17.8356 -16.0269 -16.0269 -15.8934 -15.8934 -15.8909 -15.8909 -8.1417 -8.1417 -7.8702 -7.8702 -7.7264 -7.7264 -7.5293 -7.5293 -7.2421 -7.2421 -6.7118 -6.7118 -3.7952 -3.7952 -3.5391 -3.5391 -3.2624 -3.2624 -2.9387 -2.9387 -2.6342 -2.6342 -2.6228 -2.6228 -2.5738 -2.5738 -2.5414 -2.5414 -2.3453 -2.3453 -1.7504 -1.7504 -1.5440 -1.5440 -1.5141 -1.5141 -1.3805 -1.3805 -1.0587 -1.0587 1.1612 1.1612 1.2986 1.2986 1.3500 1.3500 1.4898 1.4898 1.5070 1.5070 1.5260 1.5260 4.4979 4.4979 5.0680 5.0680 5.1013 5.1013 5.1579 5.1579 5.4006 5.4006 5.4358 5.4358 5.5294 5.5294 5.7176 5.7176 6.4773 6.4773 7.4185 7.4185 k = 0.0000 0.5000-0.0000 ( 5542 PWs) bands (ev): -24.2820 -24.2820 -18.0532 -18.0532 -17.9754 -17.9754 -17.8355 -17.8355 -16.0269 -16.0269 -15.8932 -15.8932 -15.8907 -15.8907 -8.1421 -8.1421 -7.8699 -7.8699 -7.7257 -7.7257 -7.5313 -7.5313 -7.2425 -7.2425 -6.7117 -6.7117 -3.7952 -3.7952 -3.5391 -3.5391 -3.2619 -3.2619 -2.9387 -2.9387 -2.6340 -2.6340 -2.6206 -2.6206 -2.5720 -2.5720 -2.5395 -2.5395 -2.3476 -2.3476 -1.7477 -1.7477 -1.5446 -1.5446 -1.5148 -1.5148 -1.3829 -1.3829 -1.0597 -1.0597 1.1624 1.1624 1.2994 1.2994 1.3492 1.3492 1.4906 1.4906 1.5070 1.5070 1.5262 1.5262 4.4965 4.4965 5.0670 5.0670 5.1008 5.1008 5.1568 5.1568 5.4005 5.4005 5.4354 5.4354 5.5278 5.5278 5.7178 5.7178 6.4764 6.4764 7.4182 7.4182 k = 0.5000 0.5000-0.0000 ( 5552 PWs) bands (ev): -24.2808 -24.2808 -17.9737 -17.9737 -17.9096 -17.9096 -17.9092 -17.9092 -16.0387 -16.0387 -16.0343 -16.0343 -15.8915 -15.8915 -8.1598 -8.1598 -7.8750 -7.8750 -7.7312 -7.7312 -7.1478 -7.1478 -6.8094 -6.8094 -6.7466 -6.7466 -3.8961 -3.8961 -3.6989 -3.6989 -3.5860 -3.5860 -3.4722 -3.4722 -2.9706 -2.9706 -2.8837 -2.8837 -2.6400 -2.6400 -2.5824 -2.5824 -2.0325 -2.0325 -1.8702 -1.8702 -1.4834 -1.4834 -1.4127 -1.4127 -1.3488 -1.3488 -0.4780 -0.4780 0.9566 0.9566 1.0089 1.0089 1.0565 1.0565 1.4764 1.4764 1.5009 1.5009 1.6099 1.6099 4.9446 4.9446 5.2342 5.2342 5.2715 5.2715 5.3571 5.3571 5.4650 5.4650 5.5785 5.5785 5.8187 5.8187 6.4051 6.4051 6.6118 6.6118 7.7728 7.7728 k = 0.5000 0.5000 0.0167 ( 5516 PWs) bands (ev): -24.2808 -24.2808 -17.9735 -17.9735 -17.9095 -17.9095 -17.9092 -17.9092 -16.0387 -16.0387 -16.0344 -16.0344 -15.8920 -15.8920 -8.1590 -8.1590 -7.8748 -7.8748 -7.7311 -7.7311 -7.1472 -7.1472 -6.8093 -6.8093 -6.7467 -6.7467 -3.8958 -3.8958 -3.6992 -3.6992 -3.5858 -3.5858 -3.4722 -3.4722 -2.9703 -2.9703 -2.8837 -2.8837 -2.6401 -2.6401 -2.5856 -2.5856 -2.0565 -2.0565 -1.8454 -1.8454 -1.4826 -1.4826 -1.4119 -1.4119 -1.3485 -1.3485 -0.4778 -0.4778 0.9449 0.9449 1.0197 1.0197 1.0565 1.0565 1.4753 1.4753 1.4997 1.4997 1.6092 1.6092 4.9455 4.9455 5.2352 5.2352 5.2723 5.2723 5.3589 5.3589 5.4653 5.4653 5.5785 5.5785 5.8200 5.8200 6.4059 6.4059 6.6123 6.6123 7.7730 7.7730 k = 0.5000 0.5000 0.0333 ( 5516 PWs) bands (ev): -24.2808 -24.2808 -17.9729 -17.9729 -17.9095 -17.9095 -17.9092 -17.9092 -16.0388 -16.0388 -16.0345 -16.0345 -15.8932 -15.8932 -8.1566 -8.1566 -7.8741 -7.8741 -7.7311 -7.7311 -7.1455 -7.1455 -6.8090 -6.8090 -6.7469 -6.7469 -3.8949 -3.8949 -3.7000 -3.7000 -3.5858 -3.5858 -3.4726 -3.4726 -2.9698 -2.9698 -2.8838 -2.8838 -2.6408 -2.6408 -2.5951 -2.5951 -2.1073 -2.1073 -1.7924 -1.7924 -1.4804 -1.4804 -1.4093 -1.4093 -1.3475 -1.3475 -0.4775 -0.4775 0.9216 0.9216 1.0399 1.0399 1.0571 1.0571 1.4718 1.4718 1.4962 1.4962 1.6072 1.6072 4.9478 4.9478 5.2383 5.2383 5.2745 5.2745 5.3644 5.3644 5.4660 5.4660 5.5785 5.5785 5.8239 5.8239 6.4081 6.4081 6.6135 6.6135 7.7737 7.7737 k = 0.5000 0.5000 0.0500 ( 5520 PWs) bands (ev): -24.2808 -24.2808 -17.9720 -17.9720 -17.9094 -17.9094 -17.9090 -17.9090 -16.0389 -16.0389 -16.0346 -16.0346 -15.8953 -15.8953 -8.1526 -8.1526 -7.8731 -7.8731 -7.7311 -7.7311 -7.1428 -7.1428 -6.8085 -6.8085 -6.7472 -6.7472 -3.8934 -3.8934 -3.7013 -3.7013 -3.5858 -3.5858 -3.4733 -3.4733 -2.9691 -2.9691 -2.8840 -2.8840 -2.6427 -2.6427 -2.6100 -2.6100 -2.1657 -2.1657 -1.7306 -1.7306 -1.4766 -1.4766 -1.4051 -1.4051 -1.3458 -1.3458 -0.4770 -0.4770 0.8948 0.8948 1.0528 1.0528 1.0666 1.0666 1.4660 1.4660 1.4903 1.4903 1.6038 1.6038 4.9516 4.9516 5.2435 5.2435 5.2783 5.2783 5.3733 5.3733 5.4671 5.4671 5.5786 5.5786 5.8306 5.8306 6.4118 6.4118 6.6156 6.6156 7.7749 7.7749 k = 0.5000 0.5000 0.0667 ( 5524 PWs) bands (ev): -24.2808 -24.2808 -17.9707 -17.9707 -17.9092 -17.9092 -17.9089 -17.9089 -16.0390 -16.0390 -16.0349 -16.0349 -15.8982 -15.8982 -8.1471 -8.1471 -7.8716 -7.8716 -7.7311 -7.7311 -7.1388 -7.1388 -6.8078 -6.8078 -6.7477 -6.7477 -3.8914 -3.8914 -3.7032 -3.7032 -3.5858 -3.5858 -3.4742 -3.4742 -2.9680 -2.9680 -2.8843 -2.8843 -2.6500 -2.6500 -2.6260 -2.6260 -2.2258 -2.2258 -1.6659 -1.6659 -1.4710 -1.4710 -1.3995 -1.3995 -1.3435 -1.3435 -0.4763 -0.4763 0.8666 0.8666 1.0535 1.0535 1.0882 1.0882 1.4579 1.4579 1.4821 1.4821 1.5992 1.5992 4.9569 4.9569 5.2505 5.2505 5.2836 5.2836 5.3852 5.3852 5.4688 5.4688 5.5787 5.5787 5.8403 5.8403 6.4170 6.4170 6.6185 6.6185 7.7766 7.7766 k = 0.5000 0.5000 0.0833 ( 5540 PWs) bands (ev): -24.2807 -24.2807 -17.9691 -17.9691 -17.9090 -17.9090 -17.9087 -17.9087 -16.0393 -16.0393 -16.0352 -16.0352 -15.9019 -15.9019 -8.1403 -8.1403 -7.8697 -7.8697 -7.7311 -7.7311 -7.1338 -7.1338 -6.8070 -6.8070 -6.7483 -6.7483 -3.8888 -3.8888 -3.7055 -3.7055 -3.5858 -3.5858 -3.4755 -3.4755 -2.9668 -2.9668 -2.8847 -2.8847 -2.6716 -2.6716 -2.6338 -2.6338 -2.2858 -2.2858 -1.6007 -1.6007 -1.4633 -1.4633 -1.3926 -1.3926 -1.3405 -1.3405 -0.4754 -0.4754 0.8375 0.8375 1.0529 1.0529 1.1104 1.1104 1.4477 1.4477 1.4717 1.4717 1.5933 1.5933 4.9636 4.9636 5.2594 5.2594 5.2902 5.2902 5.3995 5.3995 5.4708 5.4708 5.5789 5.5789 5.8532 5.8532 6.4236 6.4236 6.6220 6.6220 7.7787 7.7787 k = 0.5000 0.5000 0.1000 ( 5556 PWs) bands (ev): -24.2807 -24.2807 -17.9671 -17.9671 -17.9088 -17.9088 -17.9085 -17.9085 -16.0395 -16.0395 -16.0356 -16.0356 -15.9063 -15.9063 -8.1323 -8.1323 -7.8672 -7.8672 -7.7310 -7.7310 -7.1275 -7.1275 -6.8059 -6.8059 -6.7491 -6.7491 -3.8857 -3.8857 -3.7082 -3.7082 -3.5858 -3.5858 -3.4771 -3.4771 -2.9655 -2.9655 -2.8852 -2.8852 -2.7041 -2.7041 -2.6362 -2.6362 -2.3447 -2.3447 -1.5378 -1.5378 -1.4515 -1.4515 -1.3845 -1.3845 -1.3370 -1.3370 -0.4743 -0.4743 0.8077 0.8077 1.0520 1.0520 1.1320 1.1320 1.4354 1.4354 1.4592 1.4592 1.5864 1.5864 4.9716 4.9716 5.2701 5.2701 5.2982 5.2982 5.4156 5.4156 5.4733 5.4733 5.5791 5.5791 5.8698 5.8698 6.4317 6.4317 6.6263 6.6263 7.7813 7.7813 k = 0.5000 0.5000 0.1167 ( 5548 PWs) bands (ev): -24.2807 -24.2807 -17.9649 -17.9649 -17.9086 -17.9086 -17.9082 -17.9082 -16.0398 -16.0398 -16.0360 -16.0360 -15.9113 -15.9113 -8.1233 -8.1233 -7.8642 -7.8642 -7.7310 -7.7310 -7.1200 -7.1200 -6.8048 -6.8048 -6.7499 -6.7499 -3.8821 -3.8821 -3.7113 -3.7113 -3.5857 -3.5857 -3.4789 -3.4789 -2.9639 -2.9639 -2.8857 -2.8857 -2.7429 -2.7429 -2.6375 -2.6375 -2.4019 -2.4019 -1.4861 -1.4861 -1.4274 -1.4274 -1.3753 -1.3753 -1.3328 -1.3328 -0.4731 -0.4731 0.7775 0.7775 1.0509 1.0509 1.1528 1.1528 1.4211 1.4211 1.4447 1.4447 1.5784 1.5784 4.9808 4.9808 5.2823 5.2823 5.3075 5.3075 5.4327 5.4327 5.4764 5.4764 5.5794 5.5794 5.8903 5.8903 6.4411 6.4411 6.6311 6.6311 7.7845 7.7845 k = 0.5000 0.5000 0.1333 ( 5548 PWs) bands (ev): -24.2807 -24.2807 -17.9623 -17.9623 -17.9083 -17.9083 -17.9079 -17.9079 -16.0401 -16.0401 -16.0365 -16.0365 -15.9171 -15.9171 -8.1135 -8.1135 -7.8607 -7.8607 -7.7309 -7.7309 -7.1112 -7.1112 -6.8034 -6.8034 -6.7509 -6.7509 -3.8781 -3.8781 -3.7148 -3.7148 -3.5857 -3.5857 -3.4812 -3.4812 -2.9624 -2.9624 -2.8863 -2.8863 -2.7867 -2.7867 -2.6385 -2.6385 -2.4570 -2.4570 -1.4584 -1.4584 -1.3806 -1.3806 -1.3632 -1.3632 -1.3279 -1.3279 -0.4716 -0.4716 0.7470 0.7470 1.0496 1.0496 1.1727 1.1727 1.4051 1.4051 1.4283 1.4283 1.5694 1.5694 4.9910 4.9910 5.2959 5.2959 5.3180 5.3180 5.4499 5.4499 5.4800 5.4800 5.5798 5.5798 5.9152 5.9152 6.4518 6.4518 6.6365 6.6365 7.7882 7.7882 k = 0.5000 0.5000 0.1500 ( 5556 PWs) bands (ev): -24.2806 -24.2806 -17.9595 -17.9595 -17.9080 -17.9080 -17.9076 -17.9076 -16.0405 -16.0405 -16.0370 -16.0370 -15.9233 -15.9233 -8.1031 -8.1031 -7.8565 -7.8565 -7.7309 -7.7309 -7.1011 -7.1011 -6.8020 -6.8020 -6.7519 -6.7519 -3.8737 -3.8737 -3.7185 -3.7185 -3.5857 -3.5857 -3.4839 -3.4839 -2.9610 -2.9610 -2.8870 -2.8870 -2.8348 -2.8348 -2.6398 -2.6398 -2.5095 -2.5095 -1.4427 -1.4427 -1.3578 -1.3578 -1.3235 -1.3235 -1.3135 -1.3135 -0.4700 -0.4700 0.7163 0.7163 1.0481 1.0481 1.1917 1.1917 1.3873 1.3873 1.4103 1.4103 1.5597 1.5597 5.0022 5.0022 5.3108 5.3108 5.3297 5.3297 5.4660 5.4660 5.4848 5.4848 5.5803 5.5803 5.9445 5.9445 6.4638 6.4638 6.6423 6.6423 7.7925 7.7925 k = 0.5000 0.5000 0.1667 ( 5592 PWs) bands (ev): -24.2806 -24.2806 -17.9564 -17.9564 -17.9076 -17.9076 -17.9072 -17.9072 -16.0409 -16.0409 -16.0376 -16.0376 -15.9301 -15.9301 -8.0924 -8.0924 -7.8517 -7.8517 -7.7309 -7.7309 -7.0897 -7.0897 -6.8004 -6.8004 -6.7530 -6.7530 -3.8689 -3.8689 -3.7225 -3.7225 -3.5858 -3.5858 -3.4871 -3.4871 -2.9600 -2.9600 -2.8885 -2.8885 -2.8857 -2.8857 -2.6425 -2.6425 -2.5581 -2.5581 -1.4293 -1.4293 -1.3468 -1.3468 -1.3170 -1.3170 -1.2505 -1.2505 -0.4683 -0.4683 0.6855 0.6855 1.0465 1.0465 1.2098 1.2098 1.3681 1.3681 1.3907 1.3907 1.5492 1.5492 5.0142 5.0142 5.3265 5.3265 5.3425 5.3425 5.4784 5.4784 5.4927 5.4927 5.5809 5.5809 5.9783 5.9783 6.4769 6.4769 6.6485 6.6485 7.7974 7.7974 k = 0.5000 0.5000 0.1833 ( 5568 PWs) bands (ev): -24.2805 -24.2805 -17.9532 -17.9532 -17.9072 -17.9072 -17.9069 -17.9069 -16.0413 -16.0413 -16.0382 -16.0382 -15.9374 -15.9374 -8.0816 -8.0816 -7.8461 -7.8461 -7.7308 -7.7308 -7.0769 -7.0769 -6.7987 -6.7987 -6.7542 -6.7542 -3.8637 -3.8637 -3.7267 -3.7267 -3.5856 -3.5856 -3.4905 -3.4905 -2.9594 -2.9594 -2.9410 -2.9410 -2.8885 -2.8885 -2.6496 -2.6496 -2.5990 -2.5990 -1.4161 -1.4161 -1.3362 -1.3362 -1.3105 -1.3105 -1.1864 -1.1864 -0.4664 -0.4664 0.6548 0.6548 1.0449 1.0449 1.2268 1.2268 1.3476 1.3476 1.3698 1.3698 1.5382 1.5382 5.0268 5.0268 5.3428 5.3428 5.3565 5.3565 5.4858 5.4858 5.5047 5.5047 5.5817 5.5817 6.0166 6.0166 6.4911 6.4911 6.6550 6.6550 7.8029 7.8029 k = 0.5000 0.5000 0.2000 ( 5572 PWs) bands (ev): -24.2805 -24.2805 -17.9497 -17.9497 -17.9069 -17.9069 -17.9065 -17.9065 -16.0417 -16.0417 -16.0389 -16.0389 -15.9449 -15.9449 -8.0710 -8.0710 -7.8399 -7.8399 -7.7307 -7.7307 -7.0628 -7.0628 -6.7969 -6.7969 -6.7555 -6.7555 -3.8583 -3.8583 -3.7311 -3.7311 -3.5856 -3.5856 -3.4945 -3.4945 -2.9984 -2.9984 -2.9593 -2.9593 -2.8892 -2.8892 -2.6717 -2.6717 -2.6216 -2.6216 -1.4026 -1.4026 -1.3258 -1.3258 -1.3036 -1.3036 -1.1229 -1.1229 -0.4644 -0.4644 0.6244 0.6244 1.0431 1.0431 1.2428 1.2428 1.3261 1.3261 1.3478 1.3478 1.5267 1.5267 5.0399 5.0399 5.3592 5.3592 5.3717 5.3717 5.4910 5.4910 5.5175 5.5175 5.5825 5.5825 6.0589 6.0589 6.5063 6.5063 6.6616 6.6616 7.8090 7.8090 k = 0.5000 0.5000 0.2167 ( 5572 PWs) bands (ev): -24.2804 -24.2804 -17.9462 -17.9462 -17.9065 -17.9065 -17.9061 -17.9061 -16.0422 -16.0422 -16.0395 -16.0395 -15.9528 -15.9528 -8.0607 -8.0607 -7.8331 -7.8331 -7.7306 -7.7306 -7.0473 -7.0473 -6.7950 -6.7950 -6.7567 -6.7567 -3.8527 -3.8527 -3.7355 -3.7355 -3.5857 -3.5857 -3.4989 -3.4989 -3.0573 -3.0573 -2.9606 -2.9606 -2.8899 -2.8899 -2.7061 -2.7061 -2.6281 -2.6281 -1.3888 -1.3888 -1.3155 -1.3155 -1.2962 -1.2962 -1.0606 -1.0606 -0.4624 -0.4624 0.5943 0.5943 1.0412 1.0412 1.2574 1.2574 1.3041 1.3041 1.3248 1.3248 1.5150 1.5150 5.0533 5.0533 5.3753 5.3753 5.3883 5.3883 5.4958 5.4958 5.5295 5.5295 5.5835 5.5835 6.1047 6.1047 6.5224 6.5224 6.6684 6.6684 7.8157 7.8157 k = 0.5000 0.5000 0.2333 ( 5568 PWs) bands (ev): -24.2804 -24.2804 -17.9425 -17.9425 -17.9061 -17.9061 -17.9057 -17.9057 -16.0426 -16.0426 -16.0402 -16.0402 -15.9608 -15.9608 -8.0510 -8.0510 -7.8256 -7.8256 -7.7305 -7.7305 -7.0305 -7.0305 -6.7931 -6.7931 -6.7581 -6.7581 -3.8470 -3.8470 -3.7400 -3.7400 -3.5857 -3.5857 -3.5038 -3.5038 -3.1176 -3.1176 -2.9634 -2.9634 -2.8905 -2.8905 -2.7409 -2.7409 -2.6300 -2.6300 -1.3746 -1.3746 -1.3056 -1.3056 -1.2884 -1.2884 -0.9997 -0.9997 -0.4602 -0.4602 0.5646 0.5646 1.0393 1.0393 1.2679 1.2679 1.2843 1.2843 1.3013 1.3013 1.5030 1.5030 5.0668 5.0668 5.3910 5.3910 5.4059 5.4059 5.5004 5.5004 5.5402 5.5402 5.5845 5.5845 6.1534 6.1534 6.5391 6.5391 6.6751 6.6751 7.8231 7.8231 k = 0.5000 0.5000 0.2500 ( 5552 PWs) bands (ev): -24.2803 -24.2803 -17.9387 -17.9387 -17.9057 -17.9057 -17.9052 -17.9052 -16.0431 -16.0431 -16.0409 -16.0409 -15.9689 -15.9689 -8.0420 -8.0420 -7.8176 -7.8176 -7.7304 -7.7304 -7.0125 -7.0125 -6.7912 -6.7912 -6.7594 -6.7594 -3.8412 -3.8412 -3.7444 -3.7444 -3.5857 -3.5857 -3.5092 -3.5092 -3.1786 -3.1786 -2.9684 -2.9684 -2.8908 -2.8908 -2.7722 -2.7722 -2.6304 -2.6304 -1.3601 -1.3601 -1.2960 -1.2960 -1.2803 -1.2803 -0.9406 -0.9406 -0.4580 -0.4580 0.5357 0.5357 1.0374 1.0374 1.2540 1.2540 1.2755 1.2755 1.2893 1.2893 1.4911 1.4911 5.0804 5.0804 5.4064 5.4064 5.4242 5.4242 5.5050 5.5050 5.5497 5.5497 5.5857 5.5857 6.2042 6.2042 6.5564 6.5564 6.6819 6.6819 7.8312 7.8312 k = 0.5000 0.5000 0.2667 ( 5556 PWs) bands (ev): -24.2803 -24.2803 -17.9349 -17.9349 -17.9053 -17.9053 -17.9048 -17.9048 -16.0435 -16.0435 -16.0416 -16.0416 -15.9771 -15.9771 -8.0337 -8.0337 -7.8092 -7.8092 -7.7303 -7.7303 -6.9933 -6.9933 -6.7892 -6.7892 -6.7607 -6.7607 -3.8354 -3.8354 -3.7488 -3.7488 -3.5857 -3.5857 -3.5150 -3.5150 -3.2398 -3.2398 -2.9760 -2.9760 -2.8910 -2.8910 -2.7989 -2.7989 -2.6304 -2.6304 -1.3455 -1.3455 -1.2869 -1.2869 -1.2719 -1.2719 -0.8835 -0.8835 -0.4558 -0.4558 0.5075 0.5075 1.0354 1.0354 1.2311 1.2311 1.2515 1.2515 1.3001 1.3001 1.4792 1.4792 5.0938 5.0938 5.4216 5.4216 5.4426 5.4426 5.5095 5.5095 5.5580 5.5580 5.5870 5.5870 6.2564 6.2564 6.5740 6.5740 6.6885 6.6885 7.8398 7.8398 k = 0.5000 0.5000 0.2833 ( 5564 PWs) bands (ev): -24.2802 -24.2802 -17.9312 -17.9312 -17.9049 -17.9049 -17.9044 -17.9044 -16.0440 -16.0440 -16.0423 -16.0423 -15.9852 -15.9852 -8.0263 -8.0263 -7.8005 -7.8005 -7.7303 -7.7303 -6.9732 -6.9732 -6.7873 -6.7873 -6.7620 -6.7620 -3.8296 -3.8296 -3.7531 -3.7531 -3.5858 -3.5858 -3.5213 -3.5213 -3.3005 -3.3005 -2.9866 -2.9866 -2.8910 -2.8910 -2.8204 -2.8204 -2.6301 -2.6301 -1.3309 -1.3309 -1.2782 -1.2782 -1.2633 -1.2633 -0.8287 -0.8287 -0.4537 -0.4537 0.4803 0.4803 1.0335 1.0335 1.2075 1.2075 1.2268 1.2268 1.3112 1.3112 1.4675 1.4675 5.1068 5.1068 5.4364 5.4364 5.4610 5.4610 5.5140 5.5140 5.5652 5.5652 5.5883 5.5883 6.3091 6.3091 6.5917 6.5917 6.6949 6.6949 7.8490 7.8490 k = 0.5000 0.5000 0.3000 ( 5540 PWs) bands (ev): -24.2801 -24.2801 -17.9275 -17.9275 -17.9045 -17.9045 -17.9040 -17.9040 -16.0444 -16.0444 -16.0429 -16.0429 -15.9931 -15.9931 -8.0196 -8.0196 -7.7918 -7.7918 -7.7302 -7.7302 -6.9524 -6.9524 -6.7854 -6.7854 -6.7633 -6.7633 -3.8239 -3.8239 -3.7573 -3.7573 -3.5858 -3.5858 -3.5278 -3.5278 -3.3602 -3.3602 -2.9996 -2.9996 -2.8905 -2.8905 -2.8368 -2.8368 -2.6294 -2.6294 -1.3164 -1.3164 -1.2700 -1.2700 -1.2548 -1.2548 -0.7763 -0.7763 -0.4515 -0.4515 0.4542 0.4542 1.0316 1.0316 1.1842 1.1842 1.2023 1.2023 1.3216 1.3216 1.4562 1.4562 5.1195 5.1195 5.4509 5.4509 5.4791 5.4791 5.5185 5.5185 5.5715 5.5715 5.5897 5.5897 6.3617 6.3617 6.6094 6.6094 6.7011 6.7011 7.8587 7.8587 k = 0.5000 0.5000 0.3167 ( 5556 PWs) bands (ev): -24.2801 -24.2801 -17.9239 -17.9239 -17.9041 -17.9041 -17.9036 -17.9036 -16.0449 -16.0449 -16.0436 -16.0436 -16.0007 -16.0007 -8.0139 -8.0139 -7.7832 -7.7832 -7.7301 -7.7301 -6.9310 -6.9310 -6.7835 -6.7835 -6.7646 -6.7646 -3.8184 -3.8184 -3.7613 -3.7613 -3.5860 -3.5860 -3.5348 -3.5348 -3.4182 -3.4182 -3.0145 -3.0145 -2.8899 -2.8899 -2.8490 -2.8490 -2.6288 -2.6288 -1.3022 -1.3022 -1.2621 -1.2621 -1.2466 -1.2466 -0.7268 -0.7268 -0.4494 -0.4494 0.4293 0.4293 1.0297 1.0297 1.1613 1.1613 1.1781 1.1781 1.3312 1.3312 1.4453 1.4453 5.1316 5.1316 5.4648 5.4648 5.4964 5.4964 5.5228 5.5228 5.5769 5.5769 5.5911 5.5911 6.4131 6.4131 6.6268 6.6268 6.7070 6.7070 7.8689 7.8689 k = 0.5000 0.5000 0.3333 ( 5564 PWs) bands (ev): -24.2801 -24.2801 -17.9204 -17.9204 -17.9037 -17.9037 -17.9032 -17.9032 -16.0453 -16.0453 -16.0442 -16.0442 -16.0080 -16.0080 -8.0088 -8.0088 -7.7748 -7.7748 -7.7300 -7.7300 -6.9095 -6.9095 -6.7817 -6.7817 -6.7658 -6.7658 -3.8131 -3.8131 -3.7650 -3.7650 -3.5861 -3.5861 -3.5421 -3.5421 -3.4738 -3.4738 -3.0303 -3.0303 -2.8890 -2.8890 -2.8579 -2.8579 -2.6279 -2.6279 -1.2886 -1.2886 -1.2547 -1.2547 -1.2386 -1.2386 -0.6802 -0.6802 -0.4473 -0.4473 0.4060 0.4060 1.0279 1.0279 1.1393 1.1393 1.1547 1.1547 1.3399 1.3399 1.4350 1.4350 5.1430 5.1430 5.4781 5.4781 5.5130 5.5130 5.5269 5.5269 5.5816 5.5816 5.5925 5.5925 6.4628 6.4628 6.6436 6.6436 6.7126 6.7126 7.8793 7.8793 k = 0.5000 0.5000 0.3500 ( 5564 PWs) bands (ev): -24.2800 -24.2800 -17.9171 -17.9171 -17.9034 -17.9034 -17.9029 -17.9029 -16.0457 -16.0457 -16.0448 -16.0448 -16.0149 -16.0149 -8.0045 -8.0045 -7.7669 -7.7669 -7.7300 -7.7300 -6.8882 -6.8882 -6.7801 -6.7801 -6.7669 -6.7669 -3.8082 -3.8082 -3.7685 -3.7685 -3.5863 -3.5863 -3.5502 -3.5502 -3.5255 -3.5255 -3.0458 -3.0458 -2.8880 -2.8880 -2.8644 -2.8644 -2.6271 -2.6271 -1.2756 -1.2756 -1.2477 -1.2477 -1.2310 -1.2310 -0.6368 -0.6368 -0.4454 -0.4454 0.3842 0.3842 1.0262 1.0262 1.1184 1.1184 1.1323 1.1323 1.3477 1.3477 1.4254 1.4254 5.1536 5.1536 5.4906 5.4906 5.5285 5.5285 5.5309 5.5309 5.5857 5.5857 5.5939 5.5939 6.5101 6.5101 6.6597 6.6597 6.7178 6.7178 7.8898 7.8898 k = 0.5000 0.5000 0.3667 ( 5572 PWs) bands (ev): -24.2800 -24.2800 -17.9141 -17.9141 -17.9030 -17.9030 -17.9025 -17.9025 -16.0460 -16.0460 -16.0453 -16.0453 -16.0213 -16.0213 -8.0008 -8.0008 -7.7595 -7.7595 -7.7299 -7.7299 -6.8674 -6.8674 -6.7785 -6.7785 -6.7679 -6.7679 -3.8036 -3.8036 -3.7717 -3.7717 -3.5874 -3.5874 -3.5776 -3.5776 -3.5536 -3.5536 -3.0605 -3.0605 -2.8870 -2.8870 -2.8692 -2.8692 -2.6262 -2.6262 -1.2634 -1.2634 -1.2412 -1.2412 -1.2239 -1.2239 -0.5970 -0.5970 -0.4436 -0.4436 0.3642 0.3642 1.0246 1.0246 1.0988 1.0988 1.1111 1.1111 1.3547 1.3547 1.4165 1.4165 5.1633 5.1633 5.5022 5.5022 5.5344 5.5344 5.5431 5.5431 5.5892 5.5892 5.5953 5.5953 6.5543 6.5543 6.6747 6.6747 6.7226 6.7226 7.9002 7.9002 k = 0.5000 0.5000 0.3833 ( 5580 PWs) bands (ev): -24.2799 -24.2799 -17.9113 -17.9113 -17.9028 -17.9028 -17.9022 -17.9022 -16.0463 -16.0463 -16.0458 -16.0458 -16.0272 -16.0272 -7.9976 -7.9976 -7.7527 -7.7527 -7.7298 -7.7298 -6.8477 -6.8477 -6.7771 -6.7771 -6.7688 -6.7688 -3.7994 -3.7994 -3.7745 -3.7745 -3.6235 -3.6235 -3.5861 -3.5861 -3.5612 -3.5612 -3.0739 -3.0739 -2.8859 -2.8859 -2.8729 -2.8729 -2.6254 -2.6254 -1.2524 -1.2524 -1.2353 -1.2353 -1.2173 -1.2173 -0.5609 -0.5609 -0.4419 -0.4419 0.3461 0.3461 1.0231 1.0231 1.0808 1.0808 1.0915 1.0915 1.3609 1.3609 1.4084 1.4084 5.1720 5.1720 5.5128 5.5128 5.5378 5.5378 5.5561 5.5561 5.5922 5.5922 5.5966 5.5966 6.5947 6.5947 6.6886 6.6886 6.7271 6.7271 7.9104 7.9104 k = 0.5000 0.5000 0.4000 ( 5552 PWs) bands (ev): -24.2799 -24.2799 -17.9088 -17.9088 -17.9025 -17.9025 -17.9020 -17.9020 -16.0466 -16.0466 -16.0462 -16.0462 -16.0324 -16.0324 -7.9950 -7.9950 -7.7467 -7.7467 -7.7298 -7.7298 -6.8294 -6.8294 -6.7758 -6.7758 -6.7697 -6.7697 -3.7957 -3.7957 -3.7770 -3.7770 -3.6640 -3.6640 -3.5863 -3.5863 -3.5673 -3.5673 -3.0857 -3.0857 -2.8848 -2.8848 -2.8755 -2.8755 -2.6245 -2.6245 -1.2425 -1.2425 -1.2300 -1.2300 -1.2113 -1.2113 -0.5288 -0.5288 -0.4404 -0.4404 0.3301 0.3301 1.0217 1.0217 1.0647 1.0647 1.0738 1.0738 1.3662 1.3662 1.4013 1.4013 5.1797 5.1797 5.5222 5.5222 5.5408 5.5408 5.5678 5.5678 5.5947 5.5947 5.5978 5.5978 6.6308 6.6308 6.7011 6.7011 6.7313 6.7313 7.9200 7.9200 k = 0.5000 0.5000 0.4167 ( 5560 PWs) bands (ev): -24.2799 -24.2799 -17.9067 -17.9067 -17.9023 -17.9023 -17.9018 -17.9018 -16.0469 -16.0469 -16.0466 -16.0466 -16.0369 -16.0369 -7.9929 -7.9929 -7.7416 -7.7416 -7.7297 -7.7297 -6.8129 -6.8129 -6.7747 -6.7747 -6.7704 -6.7704 -3.7926 -3.7926 -3.7792 -3.7792 -3.6995 -3.6995 -3.5864 -3.5864 -3.5729 -3.5729 -3.0958 -3.0958 -2.8839 -2.8839 -2.8776 -2.8776 -2.6237 -2.6237 -1.2340 -1.2340 -1.2254 -1.2254 -1.2060 -1.2060 -0.5012 -0.5012 -0.4392 -0.4392 0.3163 0.3163 1.0204 1.0204 1.0507 1.0507 1.0583 1.0583 1.3707 1.3707 1.3951 1.3951 5.1862 5.1862 5.5304 5.5304 5.5434 5.5434 5.5778 5.5778 5.5968 5.5968 5.5988 5.5988 6.6617 6.6617 6.7121 6.7121 6.7351 6.7351 7.9288 7.9288 k = 0.5000 0.5000 0.4333 ( 5560 PWs) bands (ev): -24.2798 -24.2798 -17.9049 -17.9049 -17.9020 -17.9020 -17.9016 -17.9016 -16.0471 -16.0471 -16.0469 -16.0469 -16.0406 -16.0406 -7.9912 -7.9912 -7.7373 -7.7373 -7.7297 -7.7297 -6.7988 -6.7988 -6.7738 -6.7738 -6.7710 -6.7710 -3.7901 -3.7901 -3.7808 -3.7808 -3.7294 -3.7294 -3.5865 -3.5865 -3.5777 -3.5777 -3.1040 -3.1040 -2.8831 -2.8831 -2.8791 -2.8791 -2.6231 -2.6231 -1.2271 -1.2271 -1.2216 -1.2216 -1.2014 -1.2014 -0.4781 -0.4781 -0.4381 -0.4381 0.3049 0.3049 1.0191 1.0191 1.0390 1.0390 1.0453 1.0453 1.3743 1.3743 1.3900 1.3900 5.1917 5.1917 5.5372 5.5372 5.5456 5.5456 5.5862 5.5862 5.5984 5.5984 5.5997 5.5997 6.6869 6.6869 6.7217 6.7217 6.7386 6.7386 7.9364 7.9364 k = 0.5000 0.5000 0.4500 ( 5560 PWs) bands (ev): -24.2798 -24.2798 -17.9035 -17.9035 -17.9019 -17.9019 -17.9014 -17.9014 -16.0473 -16.0473 -16.0471 -16.0471 -16.0436 -16.0436 -7.9899 -7.9899 -7.7340 -7.7340 -7.7296 -7.7296 -6.7874 -6.7874 -6.7731 -6.7731 -6.7714 -6.7714 -3.7883 -3.7883 -3.7820 -3.7820 -3.7530 -3.7530 -3.5866 -3.5866 -3.5816 -3.5816 -3.1104 -3.1104 -2.8825 -2.8825 -2.8803 -2.8803 -2.6226 -2.6226 -1.2216 -1.2216 -1.2186 -1.2186 -1.1977 -1.1977 -0.4599 -0.4599 -0.4372 -0.4372 0.2958 0.2958 1.0176 1.0176 1.0301 1.0301 1.0350 1.0350 1.3771 1.3771 1.3860 1.3860 5.1959 5.1959 5.5426 5.5426 5.5473 5.5473 5.5928 5.5928 5.5997 5.5997 5.6005 5.6005 6.7053 6.7053 6.7304 6.7304 6.7419 6.7419 7.9427 7.9427 k = 0.5000 0.5000 0.4667 ( 5552 PWs) bands (ev): -24.2798 -24.2798 -17.9025 -17.9025 -17.9016 -17.9016 -17.9013 -17.9013 -16.0474 -16.0474 -16.0473 -16.0473 -16.0457 -16.0457 -7.9890 -7.9890 -7.7315 -7.7315 -7.7296 -7.7296 -6.7790 -6.7790 -6.7726 -6.7726 -6.7717 -6.7717 -3.7875 -3.7875 -3.7825 -3.7825 -3.7701 -3.7701 -3.5866 -3.5866 -3.5844 -3.5844 -3.1149 -3.1149 -2.8820 -2.8820 -2.8810 -2.8810 -2.6221 -2.6221 -1.2177 -1.2177 -1.2164 -1.2164 -1.1948 -1.1948 -0.4467 -0.4467 -0.4366 -0.4366 0.2893 0.2893 1.0154 1.0154 1.0246 1.0246 1.0276 1.0276 1.3792 1.3792 1.3831 1.3831 5.1990 5.1990 5.5465 5.5465 5.5486 5.5486 5.5975 5.5975 5.6006 5.6006 5.6011 5.6011 6.7165 6.7165 6.7386 6.7386 6.7446 6.7446 7.9474 7.9474 k = 0.5000 0.5000 0.4833 ( 5544 PWs) bands (ev): -24.2798 -24.2798 -17.9021 -17.9021 -17.9013 -17.9013 -17.9012 -17.9012 -16.0475 -16.0475 -16.0474 -16.0474 -16.0470 -16.0470 -7.9885 -7.9885 -7.7301 -7.7301 -7.7296 -7.7296 -6.7740 -6.7740 -6.7723 -6.7723 -6.7718 -6.7718 -3.7879 -3.7879 -3.7825 -3.7825 -3.7798 -3.7798 -3.5866 -3.5866 -3.5861 -3.5861 -3.1177 -3.1177 -2.8817 -2.8817 -2.8814 -2.8814 -2.6219 -2.6219 -1.2154 -1.2154 -1.2151 -1.2151 -1.1931 -1.1931 -0.4387 -0.4387 -0.4362 -0.4362 0.2854 0.2854 1.0130 1.0130 1.0223 1.0223 1.0232 1.0232 1.3804 1.3804 1.3813 1.3813 5.2009 5.2009 5.5488 5.5488 5.5494 5.5494 5.6003 5.6003 5.6012 5.6012 5.6015 5.6015 6.7218 6.7218 6.7447 6.7447 6.7464 6.7464 7.9503 7.9503 k = 0.5000 0.5000 0.5000 ( 5520 PWs) bands (ev): -24.2798 -24.2798 -17.9020 -17.9020 -17.9012 -17.9012 -17.9012 -17.9012 -16.0475 -16.0475 -16.0474 -16.0474 -16.0474 -16.0474 -7.9883 -7.9883 -7.7296 -7.7296 -7.7296 -7.7296 -6.7727 -6.7727 -6.7718 -6.7718 -6.7718 -6.7718 -3.7887 -3.7887 -3.7825 -3.7825 -3.7825 -3.7825 -3.5866 -3.5866 -3.5866 -3.5866 -3.1186 -3.1186 -2.8815 -2.8815 -2.8815 -2.8815 -2.6217 -2.6217 -1.2146 -1.2146 -1.2146 -1.2146 -1.1925 -1.1925 -0.4360 -0.4360 -0.4360 -0.4360 0.2841 0.2841 1.0121 1.0121 1.0217 1.0217 1.0217 1.0217 1.3808 1.3808 1.3808 1.3808 5.2015 5.2015 5.5496 5.5496 5.5496 5.5496 5.6009 5.6009 5.6017 5.6017 5.6017 5.6017 6.7234 6.7234 6.7471 6.7471 6.7471 6.7471 7.9513 7.9513 Writing output data file KCdxNO2x3.save init_run : 0.66s CPU 0.94s WALL ( 1 calls) electrons : 217.68s CPU 221.21s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.04s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 217.67s CPU 221.20s 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 : 0.17s CPU 0.33s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.09s WALL ( 232 calls) cegterg : 199.04s CPU 201.21s WALL ( 232 calls) Called by sum_band: Called by *egterg: h_psi : 117.46s CPU 119.15s WALL ( 3278 calls) s_psi : 7.44s CPU 7.37s WALL ( 3278 calls) g_psi : 0.36s CPU 0.35s WALL ( 2814 calls) cdiaghg : 61.68s CPU 62.30s WALL ( 3046 calls) cegterg:over : 11.40s CPU 11.57s WALL ( 2814 calls) cegterg:upda : 8.89s CPU 8.85s WALL ( 2814 calls) cegterg:last : 4.96s CPU 4.96s WALL ( 696 calls) cdiaghg:chol : 3.76s CPU 3.74s WALL ( 3046 calls) cdiaghg:inve : 2.89s CPU 2.78s WALL ( 3046 calls) cdiaghg:para : 4.82s CPU 5.09s WALL ( 6092 calls) Called by h_psi: h_psi:vloc : 100.06s CPU 101.85s WALL ( 3278 calls) h_psi:vnl : 16.99s CPU 16.94s WALL ( 3278 calls) add_vuspsi : 8.36s CPU 8.41s WALL ( 3278 calls) General routines calbec : 8.62s CPU 8.52s WALL ( 3278 calls) fft : 0.01s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 88.84s CPU 90.35s WALL ( 856068 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.24s CPU 0.30s WALL ( 464 calls) Parallel routines fft_scatter : 29.70s CPU 30.31s WALL ( 856091 calls) PWSCF : 3m59.30s CPU 4m15.35s WALL This run was terminated on: 16:51:13 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=