Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:44:40 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: ./CsCdxNO2x3.save/ file Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4D 4D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 145 72 20 7997 2820 422 Max 146 73 21 8004 2837 425 Sum 5249 2617 749 288017 101769 15275 bravais-lattice index = 14 lattice parameter (alat) = 10.1856 a.u. unit-cell volume = 1056.7270 (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 = 80.0000 Ry charge density cutoff = 639.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.185623 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.000000 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 1.000000 ) PseudoPot. # 1 for Cd read from file: /users/gautes/Pseudo/Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1d41bce1441572f114805845d9d822b0 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1239 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 4 for Cs read from file: /users/gautes/Pseudo/Cs.rel-pbe-oncvpsp.UPF MD5 check sum: b26d75608c6aa7e713949ad9f7a49707 Pseudo is Norm-conserving, Zval = 9.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 2414 points, 14 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 l(11) = 3 l(12) = 3 l(13) = 3 l(14) = 3 atomic species valence mass pseudopotential Cd 12.00 112.41100 Cd( 1.00) O 6.00 15.99940 O( 1.00) N 5.00 14.00670 N( 1.00) Cs 9.00 132.90550 Cs( 1.00) 24 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 120 deg rotation - cart. axis [-1,-1,-1] cryst. s( 5) = ( 0 0 1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 6 120 deg rotation - cart. axis [-1,1,1] cryst. s( 6) = ( 0 0 -1 ) ( -1 0 0 ) ( 0 1 0 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 7 120 deg rotation - cart. axis [1,1,-1] cryst. s( 7) = ( 0 0 -1 ) ( 1 0 0 ) ( 0 -1 0 ) cart. s( 7) = ( -0.0000000 1.0000000 -0.0000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 8 120 deg rotation - cart. axis [1,-1,1] cryst. s( 8) = ( 0 0 1 ) ( -1 0 0 ) ( 0 -1 0 ) cart. s( 8) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 9 120 deg rotation - cart. axis [1,1,1] cryst. s( 9) = ( 0 1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s( 9) = ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 10 120 deg rotation - cart. axis [-1,1,-1] cryst. s(10) = ( 0 -1 0 ) ( 0 0 -1 ) ( 1 0 0 ) cart. s(10) = ( -0.0000000 -0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 11 120 deg rotation - cart. axis [1,-1,-1] cryst. s(11) = ( 0 -1 0 ) ( 0 0 1 ) ( -1 0 0 ) cart. s(11) = ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 12 120 deg rotation - cart. axis [-1,-1,1] cryst. s(12) = ( 0 1 0 ) ( 0 0 -1 ) ( -1 0 0 ) cart. s(12) = ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 13 inversion cryst. s(13) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(14) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(14) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 15 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(15) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 16 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(16) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 17 inv. 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(17) = ( 0 0 -1 ) ( -1 0 0 ) ( 0 -1 0 ) cart. s(17) = ( -0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 18 inv. 120 deg rotation - cart. axis [-1,1,1] cryst. s(18) = ( 0 0 1 ) ( 1 0 0 ) ( 0 -1 0 ) cart. s(18) = ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 19 inv. 120 deg rotation - cart. axis [1,1,-1] cryst. s(19) = ( 0 0 1 ) ( -1 0 0 ) ( 0 1 0 ) cart. s(19) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 20 inv. 120 deg rotation - cart. axis [1,-1,1] cryst. s(20) = ( 0 0 -1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(20) = ( -0.0000000 1.0000000 0.0000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 21 inv. 120 deg rotation - cart. axis [1,1,1] cryst. s(21) = ( 0 -1 0 ) ( 0 0 -1 ) ( -1 0 0 ) cart. s(21) = ( -0.0000000 -0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 22 inv. 120 deg rotation - cart. axis [-1,1,-1] cryst. s(22) = ( 0 1 0 ) ( 0 0 1 ) ( -1 0 0 ) cart. s(22) = ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 23 inv. 120 deg rotation - cart. axis [1,-1,-1] cryst. s(23) = ( 0 1 0 ) ( 0 0 -1 ) ( 1 0 0 ) cart. s(23) = ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 24 inv. 120 deg rotation - cart. axis [-1,-1,1] cryst. s(24) = ( 0 -1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(24) = ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) double point group T_h (m-3) there are 14 classes and 6 irreducible representations the character table: E -E 3C2 4C3 -4C3 4C3' -4C3' i -i 3s_h 4S6' -4S6' -3C2 -3s_h G_5+ 2.00 -2.00 0.00 1.00 -1.00 1.00 -1.00 2.00 -2.00 0.00 1.00 -1.00 G_6+ 2.00 -2.00 0.00 -0.50 0.50 -0.50 0.50 2.00 -2.00 0.00 -0.50 0.50 G_7+ 2.00 -2.00 0.00 -0.50 0.50 -0.50 0.50 2.00 -2.00 0.00 -0.50 0.50 G_5- 2.00 -2.00 0.00 1.00 -1.00 1.00 -1.00 -2.00 2.00 0.00 -1.00 1.00 G_6- 2.00 -2.00 0.00 -0.50 0.50 -0.50 0.50 -2.00 2.00 0.00 0.50 -0.50 G_7- 2.00 -2.00 0.00 -0.50 0.50 -0.50 0.50 -2.00 2.00 0.00 0.50 -0.50 4S6 -4S6 G_5+ 1.00 -1.00 G_6+ -0.50 0.50 G_7+ -0.50 0.50 G_5- -1.00 1.00 G_6- 0.50 -0.50 G_7- 0.50 -0.50 imaginary part E -E 3C2 4C3 -4C3 4C3' -4C3' i -i 3s_h 4S6' -4S6' -3C2 -3s_h G_5+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_6+ 0.00 0.00 0.00 0.87 -0.87 -0.87 0.87 0.00 0.00 0.00 0.87 -0.87 G_7+ 0.00 0.00 0.00 -0.87 0.87 0.87 -0.87 0.00 0.00 0.00 -0.87 0.87 G_5- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_6- 0.00 0.00 0.00 0.87 -0.87 -0.87 0.87 0.00 0.00 0.00 -0.87 0.87 G_7- 0.00 0.00 0.00 -0.87 0.87 0.87 -0.87 0.00 0.00 0.00 0.87 -0.87 4S6 -4S6 G_5+ 0.00 0.00 G_6+ -0.87 0.87 G_7+ 0.87 -0.87 G_5- 0.00 0.00 G_6- 0.87 -0.87 G_7- -0.87 0.87 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 3C2 -3C2 2 -2 3 -3 4 -4 180 deg rotation - cart. axis [0,0,1] 4C3 9 12 10 11 120 deg rotation - cart. axis [1,1,1] -4C3 -9 -12 -10 -11 120 deg rotation - cart. axis [1,1,1] E 4C3' 5 7 8 6 120 deg rotation - cart. axis [-1,-1,-1] -4C3' -5 -7 -8 -6 120 deg rotation - cart. axis [-1,-1,-1] E i 13 inversion -i -13 inversion E 3s_h-3s_h 14 -14 15 -15 16 -16 inv. 180 deg rotation - cart. axis [0,0,1] 4S6' 21 24 22 23 inv. 120 deg rotation - cart. axis [1,1,1] -4S6' -21 -24 -22 -23 inv. 120 deg rotation - cart. axis [1,1,1] E 4S6 17 19 20 18 inv. 120 deg rotation - cart. axis [-1,-1,-1] -4S6 -17 -19 -20 -18 inv. 120 deg rotation - cart. axis [-1,-1,-1] E Cartesian axes number of k points= 231 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043290 k( 2) = ( 0.0000000 0.0166667 -0.0000000), wk = 0.0043290 k( 3) = ( 0.0000000 0.0333333 -0.0000000), wk = 0.0043290 k( 4) = ( 0.0000000 0.0500000 -0.0000000), wk = 0.0043290 k( 5) = ( 0.0000000 0.0666667 -0.0000000), wk = 0.0043290 k( 6) = ( 0.0000000 0.0833333 -0.0000000), wk = 0.0043290 k( 7) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0043290 k( 8) = ( 0.0000000 0.1166667 -0.0000000), wk = 0.0043290 k( 9) = ( 0.0000000 0.1333333 -0.0000000), wk = 0.0043290 k( 10) = ( 0.0000000 0.1500000 -0.0000000), wk = 0.0043290 k( 11) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0043290 k( 12) = ( 0.0000000 0.1833333 -0.0000000), wk = 0.0043290 k( 13) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0043290 k( 14) = ( 0.0000000 0.2166667 -0.0000000), wk = 0.0043290 k( 15) = ( 0.0000000 0.2333333 -0.0000000), wk = 0.0043290 k( 16) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0043290 k( 17) = ( 0.0000000 0.2666667 -0.0000000), wk = 0.0043290 k( 18) = ( 0.0000000 0.2833333 -0.0000000), wk = 0.0043290 k( 19) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0043290 k( 20) = ( 0.0000000 0.3166667 -0.0000000), wk = 0.0043290 k( 21) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0043290 k( 22) = ( 0.0000000 0.3500000 -0.0000000), wk = 0.0043290 k( 23) = ( 0.0000000 0.3666667 -0.0000000), wk = 0.0043290 k( 24) = ( 0.0000000 0.3833333 -0.0000000), wk = 0.0043290 k( 25) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0043290 k( 26) = ( 0.0000000 0.4166667 -0.0000000), wk = 0.0043290 k( 27) = ( 0.0000000 0.4333333 -0.0000000), wk = 0.0043290 k( 28) = ( 0.0000000 0.4500000 -0.0000000), wk = 0.0043290 k( 29) = ( 0.0000000 0.4666667 -0.0000000), wk = 0.0043290 k( 30) = ( 0.0000000 0.4833333 -0.0000000), wk = 0.0043290 k( 31) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0043290 k( 32) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0043290 k( 33) = ( 0.0166667 0.5000000 -0.0000000), wk = 0.0043290 k( 34) = ( 0.0333333 0.5000000 -0.0000000), wk = 0.0043290 k( 35) = ( 0.0500000 0.5000000 -0.0000000), wk = 0.0043290 k( 36) = ( 0.0666667 0.5000000 -0.0000000), wk = 0.0043290 k( 37) = ( 0.0833333 0.5000000 -0.0000000), wk = 0.0043290 k( 38) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0043290 k( 39) = ( 0.1166667 0.5000000 -0.0000000), wk = 0.0043290 k( 40) = ( 0.1333333 0.5000000 -0.0000000), wk = 0.0043290 k( 41) = ( 0.1500000 0.5000000 -0.0000000), wk = 0.0043290 k( 42) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0043290 k( 43) = ( 0.1833333 0.5000000 -0.0000000), wk = 0.0043290 k( 44) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0043290 k( 45) = ( 0.2166667 0.5000000 -0.0000000), wk = 0.0043290 k( 46) = ( 0.2333333 0.5000000 -0.0000000), wk = 0.0043290 k( 47) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0043290 k( 48) = ( 0.2666667 0.5000000 -0.0000000), wk = 0.0043290 k( 49) = ( 0.2833333 0.5000000 -0.0000000), wk = 0.0043290 k( 50) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0043290 k( 51) = ( 0.3166667 0.5000000 -0.0000000), wk = 0.0043290 k( 52) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0043290 k( 53) = ( 0.3500000 0.5000000 -0.0000000), wk = 0.0043290 k( 54) = ( 0.3666667 0.5000000 -0.0000000), wk = 0.0043290 k( 55) = ( 0.3833333 0.5000000 -0.0000000), wk = 0.0043290 k( 56) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0043290 k( 57) = ( 0.4166667 0.5000000 -0.0000000), wk = 0.0043290 k( 58) = ( 0.4333333 0.5000000 -0.0000000), wk = 0.0043290 k( 59) = ( 0.4500000 0.5000000 -0.0000000), wk = 0.0043290 k( 60) = ( 0.4666667 0.5000000 -0.0000000), wk = 0.0043290 k( 61) = ( 0.4833333 0.5000000 -0.0000000), wk = 0.0043290 k( 62) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0043290 k( 63) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0043290 k( 64) = ( 0.4880952 0.4880952 -0.0000000), wk = 0.0043290 k( 65) = ( 0.4761905 0.4761905 -0.0000000), wk = 0.0043290 k( 66) = ( 0.4642857 0.4642857 -0.0000000), wk = 0.0043290 k( 67) = ( 0.4523810 0.4523809 -0.0000000), wk = 0.0043290 k( 68) = ( 0.4404762 0.4404762 -0.0000000), wk = 0.0043290 k( 69) = ( 0.4285714 0.4285714 -0.0000000), wk = 0.0043290 k( 70) = ( 0.4166667 0.4166667 -0.0000000), wk = 0.0043290 k( 71) = ( 0.4047619 0.4047619 -0.0000000), wk = 0.0043290 k( 72) = ( 0.3928571 0.3928571 -0.0000000), wk = 0.0043290 k( 73) = ( 0.3809524 0.3809524 -0.0000000), wk = 0.0043290 k( 74) = ( 0.3690476 0.3690476 -0.0000000), wk = 0.0043290 k( 75) = ( 0.3571429 0.3571429 -0.0000000), wk = 0.0043290 k( 76) = ( 0.3452381 0.3452381 -0.0000000), wk = 0.0043290 k( 77) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0043290 k( 78) = ( 0.3214286 0.3214286 -0.0000000), wk = 0.0043290 k( 79) = ( 0.3095238 0.3095238 -0.0000000), wk = 0.0043290 k( 80) = ( 0.2976190 0.2976190 -0.0000000), wk = 0.0043290 k( 81) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0043290 k( 82) = ( 0.2738095 0.2738095 -0.0000000), wk = 0.0043290 k( 83) = ( 0.2619048 0.2619048 -0.0000000), wk = 0.0043290 k( 84) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0043290 k( 85) = ( 0.2380952 0.2380952 -0.0000000), wk = 0.0043290 k( 86) = ( 0.2261905 0.2261905 -0.0000000), wk = 0.0043290 k( 87) = ( 0.2142857 0.2142857 -0.0000000), wk = 0.0043290 k( 88) = ( 0.2023810 0.2023809 -0.0000000), wk = 0.0043290 k( 89) = ( 0.1904762 0.1904762 -0.0000000), wk = 0.0043290 k( 90) = ( 0.1785714 0.1785714 -0.0000000), wk = 0.0043290 k( 91) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0043290 k( 92) = ( 0.1547619 0.1547619 -0.0000000), wk = 0.0043290 k( 93) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0043290 k( 94) = ( 0.1309524 0.1309524 -0.0000000), wk = 0.0043290 k( 95) = ( 0.1190476 0.1190476 -0.0000000), wk = 0.0043290 k( 96) = ( 0.1071429 0.1071429 -0.0000000), wk = 0.0043290 k( 97) = ( 0.0952381 0.0952381 -0.0000000), wk = 0.0043290 k( 98) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0043290 k( 99) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0043290 k( 100) = ( 0.0595238 0.0595238 -0.0000000), wk = 0.0043290 k( 101) = ( 0.0476191 0.0476190 -0.0000000), wk = 0.0043290 k( 102) = ( 0.0357143 0.0357143 -0.0000000), wk = 0.0043290 k( 103) = ( 0.0238095 0.0238095 -0.0000000), wk = 0.0043290 k( 104) = ( 0.0119048 0.0119048 -0.0000000), wk = 0.0043290 k( 105) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043290 k( 106) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043290 k( 107) = ( 0.0098039 0.0098039 0.0098039), wk = 0.0043290 k( 108) = ( 0.0196078 0.0196078 0.0196078), wk = 0.0043290 k( 109) = ( 0.0294118 0.0294118 0.0294118), wk = 0.0043290 k( 110) = ( 0.0392157 0.0392157 0.0392157), wk = 0.0043290 k( 111) = ( 0.0490196 0.0490196 0.0490196), wk = 0.0043290 k( 112) = ( 0.0588235 0.0588235 0.0588235), wk = 0.0043290 k( 113) = ( 0.0686275 0.0686275 0.0686274), wk = 0.0043290 k( 114) = ( 0.0784314 0.0784314 0.0784314), wk = 0.0043290 k( 115) = ( 0.0882353 0.0882353 0.0882353), wk = 0.0043290 k( 116) = ( 0.0980392 0.0980392 0.0980392), wk = 0.0043290 k( 117) = ( 0.1078431 0.1078431 0.1078431), wk = 0.0043290 k( 118) = ( 0.1176471 0.1176471 0.1176471), wk = 0.0043290 k( 119) = ( 0.1274510 0.1274510 0.1274510), wk = 0.0043290 k( 120) = ( 0.1372549 0.1372549 0.1372549), wk = 0.0043290 k( 121) = ( 0.1470588 0.1470588 0.1470588), wk = 0.0043290 k( 122) = ( 0.1568627 0.1568627 0.1568627), wk = 0.0043290 k( 123) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0043290 k( 124) = ( 0.1764706 0.1764706 0.1764706), wk = 0.0043290 k( 125) = ( 0.1862745 0.1862745 0.1862745), wk = 0.0043290 k( 126) = ( 0.1960784 0.1960784 0.1960784), wk = 0.0043290 k( 127) = ( 0.2058823 0.2058823 0.2058823), wk = 0.0043290 k( 128) = ( 0.2156863 0.2156863 0.2156863), wk = 0.0043290 k( 129) = ( 0.2254902 0.2254902 0.2254902), wk = 0.0043290 k( 130) = ( 0.2352941 0.2352941 0.2352941), wk = 0.0043290 k( 131) = ( 0.2450980 0.2450980 0.2450980), wk = 0.0043290 k( 132) = ( 0.2549020 0.2549020 0.2549020), wk = 0.0043290 k( 133) = ( 0.2647059 0.2647059 0.2647059), wk = 0.0043290 k( 134) = ( 0.2745098 0.2745098 0.2745098), wk = 0.0043290 k( 135) = ( 0.2843137 0.2843137 0.2843137), wk = 0.0043290 k( 136) = ( 0.2941177 0.2941176 0.2941176), wk = 0.0043290 k( 137) = ( 0.3039216 0.3039216 0.3039216), wk = 0.0043290 k( 138) = ( 0.3137255 0.3137255 0.3137255), wk = 0.0043290 k( 139) = ( 0.3235294 0.3235294 0.3235294), wk = 0.0043290 k( 140) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0043290 k( 141) = ( 0.3431373 0.3431372 0.3431372), wk = 0.0043290 k( 142) = ( 0.3529412 0.3529412 0.3529412), wk = 0.0043290 k( 143) = ( 0.3627451 0.3627451 0.3627451), wk = 0.0043290 k( 144) = ( 0.3725490 0.3725490 0.3725490), wk = 0.0043290 k( 145) = ( 0.3823529 0.3823529 0.3823529), wk = 0.0043290 k( 146) = ( 0.3921569 0.3921569 0.3921569), wk = 0.0043290 k( 147) = ( 0.4019608 0.4019608 0.4019608), wk = 0.0043290 k( 148) = ( 0.4117647 0.4117647 0.4117647), wk = 0.0043290 k( 149) = ( 0.4215686 0.4215686 0.4215686), wk = 0.0043290 k( 150) = ( 0.4313726 0.4313725 0.4313725), wk = 0.0043290 k( 151) = ( 0.4411765 0.4411765 0.4411765), wk = 0.0043290 k( 152) = ( 0.4509804 0.4509804 0.4509804), wk = 0.0043290 k( 153) = ( 0.4607843 0.4607843 0.4607843), wk = 0.0043290 k( 154) = ( 0.4705882 0.4705882 0.4705882), wk = 0.0043290 k( 155) = ( 0.4803922 0.4803922 0.4803922), wk = 0.0043290 k( 156) = ( 0.4901961 0.4901961 0.4901961), wk = 0.0043290 k( 157) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0043290 k( 158) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0043290 k( 159) = ( 0.4880952 0.5000000 0.4880952), wk = 0.0043290 k( 160) = ( 0.4761905 0.5000000 0.4761905), wk = 0.0043290 k( 161) = ( 0.4642857 0.5000000 0.4642857), wk = 0.0043290 k( 162) = ( 0.4523810 0.5000000 0.4523809), wk = 0.0043290 k( 163) = ( 0.4404762 0.5000000 0.4404762), wk = 0.0043290 k( 164) = ( 0.4285714 0.5000000 0.4285714), wk = 0.0043290 k( 165) = ( 0.4166667 0.5000000 0.4166667), wk = 0.0043290 k( 166) = ( 0.4047619 0.5000000 0.4047619), wk = 0.0043290 k( 167) = ( 0.3928571 0.5000000 0.3928571), wk = 0.0043290 k( 168) = ( 0.3809524 0.5000000 0.3809524), wk = 0.0043290 k( 169) = ( 0.3690476 0.5000000 0.3690476), wk = 0.0043290 k( 170) = ( 0.3571429 0.5000000 0.3571429), wk = 0.0043290 k( 171) = ( 0.3452381 0.5000000 0.3452381), wk = 0.0043290 k( 172) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0043290 k( 173) = ( 0.3214286 0.5000000 0.3214286), wk = 0.0043290 k( 174) = ( 0.3095238 0.5000000 0.3095238), wk = 0.0043290 k( 175) = ( 0.2976190 0.5000000 0.2976190), wk = 0.0043290 k( 176) = ( 0.2857143 0.5000000 0.2857143), wk = 0.0043290 k( 177) = ( 0.2738095 0.5000000 0.2738095), wk = 0.0043290 k( 178) = ( 0.2619048 0.5000000 0.2619048), wk = 0.0043290 k( 179) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0043290 k( 180) = ( 0.2380952 0.5000000 0.2380952), wk = 0.0043290 k( 181) = ( 0.2261905 0.5000000 0.2261905), wk = 0.0043290 k( 182) = ( 0.2142857 0.5000000 0.2142857), wk = 0.0043290 k( 183) = ( 0.2023810 0.5000000 0.2023809), wk = 0.0043290 k( 184) = ( 0.1904762 0.5000000 0.1904762), wk = 0.0043290 k( 185) = ( 0.1785714 0.5000000 0.1785714), wk = 0.0043290 k( 186) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0043290 k( 187) = ( 0.1547619 0.5000000 0.1547619), wk = 0.0043290 k( 188) = ( 0.1428571 0.5000000 0.1428571), wk = 0.0043290 k( 189) = ( 0.1309524 0.5000000 0.1309524), wk = 0.0043290 k( 190) = ( 0.1190476 0.5000000 0.1190476), wk = 0.0043290 k( 191) = ( 0.1071429 0.5000000 0.1071429), wk = 0.0043290 k( 192) = ( 0.0952381 0.5000000 0.0952381), wk = 0.0043290 k( 193) = ( 0.0833333 0.5000000 0.0833333), wk = 0.0043290 k( 194) = ( 0.0714286 0.5000000 0.0714286), wk = 0.0043290 k( 195) = ( 0.0595238 0.5000000 0.0595238), wk = 0.0043290 k( 196) = ( 0.0476191 0.5000000 0.0476190), wk = 0.0043290 k( 197) = ( 0.0357143 0.5000000 0.0357143), wk = 0.0043290 k( 198) = ( 0.0238095 0.5000000 0.0238095), wk = 0.0043290 k( 199) = ( 0.0119048 0.5000000 0.0119048), wk = 0.0043290 k( 200) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0043290 k( 201) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0043290 k( 202) = ( 0.5000000 0.5000000 0.0166667), wk = 0.0043290 k( 203) = ( 0.5000000 0.5000000 0.0333333), wk = 0.0043290 k( 204) = ( 0.5000000 0.5000000 0.0500000), wk = 0.0043290 k( 205) = ( 0.5000000 0.5000000 0.0666667), wk = 0.0043290 k( 206) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0043290 k( 207) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0043290 k( 208) = ( 0.5000000 0.5000000 0.1166667), wk = 0.0043290 k( 209) = ( 0.5000000 0.5000000 0.1333333), wk = 0.0043290 k( 210) = ( 0.5000000 0.5000000 0.1500000), wk = 0.0043290 k( 211) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0043290 k( 212) = ( 0.5000000 0.5000000 0.1833333), wk = 0.0043290 k( 213) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0043290 k( 214) = ( 0.5000000 0.5000000 0.2166667), wk = 0.0043290 k( 215) = ( 0.5000000 0.5000000 0.2333333), wk = 0.0043290 k( 216) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0043290 k( 217) = ( 0.5000000 0.5000000 0.2666667), wk = 0.0043290 k( 218) = ( 0.5000000 0.5000000 0.2833333), wk = 0.0043290 k( 219) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0043290 k( 220) = ( 0.5000000 0.5000000 0.3166667), wk = 0.0043290 k( 221) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0043290 k( 222) = ( 0.5000000 0.5000000 0.3500000), wk = 0.0043290 k( 223) = ( 0.5000000 0.5000000 0.3666667), wk = 0.0043290 k( 224) = ( 0.5000000 0.5000000 0.3833333), wk = 0.0043290 k( 225) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0043290 k( 226) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0043290 k( 227) = ( 0.5000000 0.5000000 0.4333333), wk = 0.0043290 k( 228) = ( 0.5000000 0.5000000 0.4500000), wk = 0.0043290 k( 229) = ( 0.5000000 0.5000000 0.4666667), wk = 0.0043290 k( 230) = ( 0.5000000 0.5000000 0.4833333), wk = 0.0043290 k( 231) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0043290 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043290 k( 2) = ( 0.0000000 0.0166667 0.0000000), wk = 0.0043290 k( 3) = ( 0.0000000 0.0333333 0.0000000), wk = 0.0043290 k( 4) = ( 0.0000000 0.0500000 0.0000000), wk = 0.0043290 k( 5) = ( 0.0000000 0.0666667 0.0000000), wk = 0.0043290 k( 6) = ( 0.0000000 0.0833333 0.0000000), wk = 0.0043290 k( 7) = ( 0.0000000 0.1000000 0.0000000), wk = 0.0043290 k( 8) = ( 0.0000000 0.1166667 0.0000000), wk = 0.0043290 k( 9) = ( 0.0000000 0.1333333 0.0000000), wk = 0.0043290 k( 10) = ( 0.0000000 0.1500000 0.0000000), wk = 0.0043290 k( 11) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0043290 k( 12) = ( 0.0000000 0.1833333 0.0000000), wk = 0.0043290 k( 13) = ( 0.0000000 0.2000000 0.0000000), wk = 0.0043290 k( 14) = ( 0.0000000 0.2166667 0.0000000), wk = 0.0043290 k( 15) = ( 0.0000000 0.2333333 0.0000000), wk = 0.0043290 k( 16) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0043290 k( 17) = ( 0.0000000 0.2666667 0.0000000), wk = 0.0043290 k( 18) = ( 0.0000000 0.2833333 0.0000000), wk = 0.0043290 k( 19) = ( 0.0000000 0.3000000 0.0000000), wk = 0.0043290 k( 20) = ( 0.0000000 0.3166667 0.0000000), wk = 0.0043290 k( 21) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0043290 k( 22) = ( 0.0000000 0.3500000 0.0000000), wk = 0.0043290 k( 23) = ( 0.0000000 0.3666667 0.0000000), wk = 0.0043290 k( 24) = ( 0.0000000 0.3833333 0.0000000), wk = 0.0043290 k( 25) = ( 0.0000000 0.4000000 0.0000000), wk = 0.0043290 k( 26) = ( 0.0000000 0.4166667 0.0000000), wk = 0.0043290 k( 27) = ( 0.0000000 0.4333333 0.0000000), wk = 0.0043290 k( 28) = ( 0.0000000 0.4500000 0.0000000), wk = 0.0043290 k( 29) = ( 0.0000000 0.4666667 0.0000000), wk = 0.0043290 k( 30) = ( 0.0000000 0.4833333 0.0000000), wk = 0.0043290 k( 31) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0043290 k( 32) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0043290 k( 33) = ( 0.0166667 0.5000000 0.0000000), wk = 0.0043290 k( 34) = ( 0.0333333 0.5000000 0.0000000), wk = 0.0043290 k( 35) = ( 0.0500000 0.5000000 0.0000000), wk = 0.0043290 k( 36) = ( 0.0666667 0.5000000 0.0000000), wk = 0.0043290 k( 37) = ( 0.0833333 0.5000000 0.0000000), wk = 0.0043290 k( 38) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0043290 k( 39) = ( 0.1166667 0.5000000 0.0000000), wk = 0.0043290 k( 40) = ( 0.1333333 0.5000000 0.0000000), wk = 0.0043290 k( 41) = ( 0.1500000 0.5000000 0.0000000), wk = 0.0043290 k( 42) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0043290 k( 43) = ( 0.1833333 0.5000000 0.0000000), wk = 0.0043290 k( 44) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0043290 k( 45) = ( 0.2166667 0.5000000 0.0000000), wk = 0.0043290 k( 46) = ( 0.2333333 0.5000000 0.0000000), wk = 0.0043290 k( 47) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0043290 k( 48) = ( 0.2666667 0.5000000 0.0000000), wk = 0.0043290 k( 49) = ( 0.2833333 0.5000000 0.0000000), wk = 0.0043290 k( 50) = ( 0.3000000 0.5000000 0.0000000), wk = 0.0043290 k( 51) = ( 0.3166667 0.5000000 0.0000000), wk = 0.0043290 k( 52) = ( 0.3333333 0.5000000 0.0000000), wk = 0.0043290 k( 53) = ( 0.3500000 0.5000000 0.0000000), wk = 0.0043290 k( 54) = ( 0.3666667 0.5000000 -0.0000000), wk = 0.0043290 k( 55) = ( 0.3833333 0.5000000 0.0000000), wk = 0.0043290 k( 56) = ( 0.4000000 0.5000000 0.0000000), wk = 0.0043290 k( 57) = ( 0.4166667 0.5000000 0.0000000), wk = 0.0043290 k( 58) = ( 0.4333333 0.5000000 0.0000000), wk = 0.0043290 k( 59) = ( 0.4500000 0.5000000 0.0000000), wk = 0.0043290 k( 60) = ( 0.4666667 0.5000000 0.0000000), wk = 0.0043290 k( 61) = ( 0.4833333 0.5000000 0.0000000), wk = 0.0043290 k( 62) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0043290 k( 63) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0043290 k( 64) = ( 0.4880952 0.4880952 0.0000000), wk = 0.0043290 k( 65) = ( 0.4761905 0.4761905 0.0000000), wk = 0.0043290 k( 66) = ( 0.4642857 0.4642857 0.0000000), wk = 0.0043290 k( 67) = ( 0.4523810 0.4523810 -0.0000000), wk = 0.0043290 k( 68) = ( 0.4404762 0.4404762 0.0000000), wk = 0.0043290 k( 69) = ( 0.4285714 0.4285714 0.0000000), wk = 0.0043290 k( 70) = ( 0.4166667 0.4166667 0.0000000), wk = 0.0043290 k( 71) = ( 0.4047619 0.4047619 -0.0000000), wk = 0.0043290 k( 72) = ( 0.3928571 0.3928571 0.0000000), wk = 0.0043290 k( 73) = ( 0.3809524 0.3809524 0.0000000), wk = 0.0043290 k( 74) = ( 0.3690476 0.3690476 0.0000000), wk = 0.0043290 k( 75) = ( 0.3571429 0.3571429 0.0000000), wk = 0.0043290 k( 76) = ( 0.3452381 0.3452381 0.0000000), wk = 0.0043290 k( 77) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0043290 k( 78) = ( 0.3214286 0.3214286 0.0000000), wk = 0.0043290 k( 79) = ( 0.3095238 0.3095238 0.0000000), wk = 0.0043290 k( 80) = ( 0.2976190 0.2976190 0.0000000), wk = 0.0043290 k( 81) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0043290 k( 82) = ( 0.2738095 0.2738095 0.0000000), wk = 0.0043290 k( 83) = ( 0.2619048 0.2619048 0.0000000), wk = 0.0043290 k( 84) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0043290 k( 85) = ( 0.2380952 0.2380952 0.0000000), wk = 0.0043290 k( 86) = ( 0.2261905 0.2261905 0.0000000), wk = 0.0043290 k( 87) = ( 0.2142857 0.2142857 0.0000000), wk = 0.0043290 k( 88) = ( 0.2023810 0.2023810 -0.0000000), wk = 0.0043290 k( 89) = ( 0.1904762 0.1904762 0.0000000), wk = 0.0043290 k( 90) = ( 0.1785714 0.1785714 0.0000000), wk = 0.0043290 k( 91) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0043290 k( 92) = ( 0.1547619 0.1547619 -0.0000000), wk = 0.0043290 k( 93) = ( 0.1428571 0.1428571 0.0000000), wk = 0.0043290 k( 94) = ( 0.1309524 0.1309524 0.0000000), wk = 0.0043290 k( 95) = ( 0.1190476 0.1190476 0.0000000), wk = 0.0043290 k( 96) = ( 0.1071429 0.1071429 -0.0000000), wk = 0.0043290 k( 97) = ( 0.0952381 0.0952381 0.0000000), wk = 0.0043290 k( 98) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0043290 k( 99) = ( 0.0714286 0.0714286 0.0000000), wk = 0.0043290 k( 100) = ( 0.0595238 0.0595238 0.0000000), wk = 0.0043290 k( 101) = ( 0.0476191 0.0476191 0.0000000), wk = 0.0043290 k( 102) = ( 0.0357143 0.0357143 -0.0000000), wk = 0.0043290 k( 103) = ( 0.0238095 0.0238095 0.0000000), wk = 0.0043290 k( 104) = ( 0.0119048 0.0119048 0.0000000), wk = 0.0043290 k( 105) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043290 k( 106) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043290 k( 107) = ( 0.0098039 0.0098039 0.0098039), wk = 0.0043290 k( 108) = ( 0.0196078 0.0196078 0.0196078), wk = 0.0043290 k( 109) = ( 0.0294118 0.0294118 0.0294118), wk = 0.0043290 k( 110) = ( 0.0392157 0.0392157 0.0392157), wk = 0.0043290 k( 111) = ( 0.0490196 0.0490196 0.0490196), wk = 0.0043290 k( 112) = ( 0.0588235 0.0588235 0.0588235), wk = 0.0043290 k( 113) = ( 0.0686275 0.0686275 0.0686275), wk = 0.0043290 k( 114) = ( 0.0784314 0.0784314 0.0784314), wk = 0.0043290 k( 115) = ( 0.0882353 0.0882353 0.0882353), wk = 0.0043290 k( 116) = ( 0.0980392 0.0980392 0.0980392), wk = 0.0043290 k( 117) = ( 0.1078431 0.1078431 0.1078431), wk = 0.0043290 k( 118) = ( 0.1176471 0.1176471 0.1176471), wk = 0.0043290 k( 119) = ( 0.1274510 0.1274510 0.1274510), wk = 0.0043290 k( 120) = ( 0.1372549 0.1372549 0.1372549), wk = 0.0043290 k( 121) = ( 0.1470588 0.1470588 0.1470588), wk = 0.0043290 k( 122) = ( 0.1568627 0.1568627 0.1568627), wk = 0.0043290 k( 123) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0043290 k( 124) = ( 0.1764706 0.1764706 0.1764706), wk = 0.0043290 k( 125) = ( 0.1862745 0.1862745 0.1862745), wk = 0.0043290 k( 126) = ( 0.1960784 0.1960784 0.1960784), wk = 0.0043290 k( 127) = ( 0.2058823 0.2058823 0.2058823), wk = 0.0043290 k( 128) = ( 0.2156863 0.2156863 0.2156863), wk = 0.0043290 k( 129) = ( 0.2254902 0.2254902 0.2254902), wk = 0.0043290 k( 130) = ( 0.2352941 0.2352941 0.2352941), wk = 0.0043290 k( 131) = ( 0.2450980 0.2450980 0.2450980), wk = 0.0043290 k( 132) = ( 0.2549020 0.2549020 0.2549020), wk = 0.0043290 k( 133) = ( 0.2647059 0.2647059 0.2647059), wk = 0.0043290 k( 134) = ( 0.2745098 0.2745098 0.2745098), wk = 0.0043290 k( 135) = ( 0.2843137 0.2843137 0.2843137), wk = 0.0043290 k( 136) = ( 0.2941177 0.2941177 0.2941177), wk = 0.0043290 k( 137) = ( 0.3039216 0.3039216 0.3039216), wk = 0.0043290 k( 138) = ( 0.3137255 0.3137255 0.3137255), wk = 0.0043290 k( 139) = ( 0.3235294 0.3235294 0.3235294), wk = 0.0043290 k( 140) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0043290 k( 141) = ( 0.3431373 0.3431373 0.3431373), wk = 0.0043290 k( 142) = ( 0.3529412 0.3529412 0.3529412), wk = 0.0043290 k( 143) = ( 0.3627451 0.3627451 0.3627451), wk = 0.0043290 k( 144) = ( 0.3725490 0.3725490 0.3725490), wk = 0.0043290 k( 145) = ( 0.3823529 0.3823529 0.3823529), wk = 0.0043290 k( 146) = ( 0.3921569 0.3921569 0.3921569), wk = 0.0043290 k( 147) = ( 0.4019608 0.4019608 0.4019608), wk = 0.0043290 k( 148) = ( 0.4117647 0.4117647 0.4117647), wk = 0.0043290 k( 149) = ( 0.4215686 0.4215686 0.4215686), wk = 0.0043290 k( 150) = ( 0.4313726 0.4313726 0.4313726), wk = 0.0043290 k( 151) = ( 0.4411765 0.4411765 0.4411765), wk = 0.0043290 k( 152) = ( 0.4509804 0.4509804 0.4509804), wk = 0.0043290 k( 153) = ( 0.4607843 0.4607843 0.4607843), wk = 0.0043290 k( 154) = ( 0.4705882 0.4705882 0.4705882), wk = 0.0043290 k( 155) = ( 0.4803922 0.4803922 0.4803922), wk = 0.0043290 k( 156) = ( 0.4901961 0.4901961 0.4901961), wk = 0.0043290 k( 157) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0043290 k( 158) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0043290 k( 159) = ( 0.4880952 0.5000000 0.4880952), wk = 0.0043290 k( 160) = ( 0.4761905 0.5000000 0.4761905), wk = 0.0043290 k( 161) = ( 0.4642857 0.5000000 0.4642857), wk = 0.0043290 k( 162) = ( 0.4523810 0.5000000 0.4523810), wk = 0.0043290 k( 163) = ( 0.4404762 0.5000000 0.4404762), wk = 0.0043290 k( 164) = ( 0.4285714 0.5000000 0.4285714), wk = 0.0043290 k( 165) = ( 0.4166667 0.5000000 0.4166667), wk = 0.0043290 k( 166) = ( 0.4047619 0.5000000 0.4047619), wk = 0.0043290 k( 167) = ( 0.3928571 0.5000000 0.3928571), wk = 0.0043290 k( 168) = ( 0.3809524 0.5000000 0.3809524), wk = 0.0043290 k( 169) = ( 0.3690476 0.5000000 0.3690476), wk = 0.0043290 k( 170) = ( 0.3571429 0.5000000 0.3571429), wk = 0.0043290 k( 171) = ( 0.3452381 0.5000000 0.3452381), wk = 0.0043290 k( 172) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0043290 k( 173) = ( 0.3214286 0.5000000 0.3214286), wk = 0.0043290 k( 174) = ( 0.3095238 0.5000000 0.3095238), wk = 0.0043290 k( 175) = ( 0.2976190 0.5000000 0.2976190), wk = 0.0043290 k( 176) = ( 0.2857143 0.5000000 0.2857143), wk = 0.0043290 k( 177) = ( 0.2738095 0.5000000 0.2738095), wk = 0.0043290 k( 178) = ( 0.2619048 0.5000000 0.2619048), wk = 0.0043290 k( 179) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0043290 k( 180) = ( 0.2380952 0.5000000 0.2380952), wk = 0.0043290 k( 181) = ( 0.2261905 0.5000000 0.2261905), wk = 0.0043290 k( 182) = ( 0.2142857 0.5000000 0.2142857), wk = 0.0043290 k( 183) = ( 0.2023810 0.5000000 0.2023810), wk = 0.0043290 k( 184) = ( 0.1904762 0.5000000 0.1904762), wk = 0.0043290 k( 185) = ( 0.1785714 0.5000000 0.1785714), wk = 0.0043290 k( 186) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0043290 k( 187) = ( 0.1547619 0.5000000 0.1547619), wk = 0.0043290 k( 188) = ( 0.1428571 0.5000000 0.1428571), wk = 0.0043290 k( 189) = ( 0.1309524 0.5000000 0.1309524), wk = 0.0043290 k( 190) = ( 0.1190476 0.5000000 0.1190476), wk = 0.0043290 k( 191) = ( 0.1071429 0.5000000 0.1071429), wk = 0.0043290 k( 192) = ( 0.0952381 0.5000000 0.0952381), wk = 0.0043290 k( 193) = ( 0.0833333 0.5000000 0.0833333), wk = 0.0043290 k( 194) = ( 0.0714286 0.5000000 0.0714286), wk = 0.0043290 k( 195) = ( 0.0595238 0.5000000 0.0595238), wk = 0.0043290 k( 196) = ( 0.0476191 0.5000000 0.0476191), wk = 0.0043290 k( 197) = ( 0.0357143 0.5000000 0.0357143), wk = 0.0043290 k( 198) = ( 0.0238095 0.5000000 0.0238095), wk = 0.0043290 k( 199) = ( 0.0119048 0.5000000 0.0119048), wk = 0.0043290 k( 200) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0043290 k( 201) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0043290 k( 202) = ( 0.5000000 0.5000000 0.0166667), wk = 0.0043290 k( 203) = ( 0.5000000 0.5000000 0.0333333), wk = 0.0043290 k( 204) = ( 0.5000000 0.5000000 0.0500000), wk = 0.0043290 k( 205) = ( 0.5000000 0.5000000 0.0666667), wk = 0.0043290 k( 206) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0043290 k( 207) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0043290 k( 208) = ( 0.5000000 0.5000000 0.1166667), wk = 0.0043290 k( 209) = ( 0.5000000 0.5000000 0.1333333), wk = 0.0043290 k( 210) = ( 0.5000000 0.5000000 0.1500000), wk = 0.0043290 k( 211) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0043290 k( 212) = ( 0.5000000 0.5000000 0.1833333), wk = 0.0043290 k( 213) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0043290 k( 214) = ( 0.5000000 0.5000000 0.2166667), wk = 0.0043290 k( 215) = ( 0.5000000 0.5000000 0.2333333), wk = 0.0043290 k( 216) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0043290 k( 217) = ( 0.5000000 0.5000000 0.2666667), wk = 0.0043290 k( 218) = ( 0.5000000 0.5000000 0.2833333), wk = 0.0043290 k( 219) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0043290 k( 220) = ( 0.5000000 0.5000000 0.3166667), wk = 0.0043290 k( 221) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0043290 k( 222) = ( 0.5000000 0.5000000 0.3500000), wk = 0.0043290 k( 223) = ( 0.5000000 0.5000000 0.3666667), wk = 0.0043290 k( 224) = ( 0.5000000 0.5000000 0.3833333), wk = 0.0043290 k( 225) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0043290 k( 226) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0043290 k( 227) = ( 0.5000000 0.5000000 0.4333333), wk = 0.0043290 k( 228) = ( 0.5000000 0.5000000 0.4500000), wk = 0.0043290 k( 229) = ( 0.5000000 0.5000000 0.4666667), wk = 0.0043290 k( 230) = ( 0.5000000 0.5000000 0.4833333), wk = 0.0043290 k( 231) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0043290 Dense grid: 288017 G-vectors FFT dimensions: ( 81, 81, 81) Smooth grid: 101769 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.94 Mb ( 716, 86) NL pseudopotentials 1.21 Mb ( 358, 222) Each V/rho on FFT grid 0.30 Mb ( 19683) Each G-vector array 0.06 Mb ( 8004) G-vector shells 0.01 Mb ( 1195) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 3.76 Mb ( 716, 344) Each subspace H/S matrix 0.11 Mb ( 86, 86) Each matrix 0.58 Mb ( 222, 2, 86) The potential is recalculated from file : ./CsCdxNO2x3.save/charge-density.dat Starting wfc are 100 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.2 secs Computing kpt #: 2 total cpu time spent up to now is 5.8 secs Computing kpt #: 3 total cpu time spent up to now is 7.3 secs Computing kpt #: 4 total cpu time spent up to now is 8.9 secs Computing kpt #: 5 total cpu time spent up to now is 10.4 secs Computing kpt #: 6 total cpu time spent up to now is 12.0 secs Computing kpt #: 7 total cpu time spent up to now is 13.5 secs Computing kpt #: 8 total cpu time spent up to now is 15.0 secs Computing kpt #: 9 total cpu time spent up to now is 16.5 secs Computing kpt #: 10 total cpu time spent up to now is 18.1 secs Computing kpt #: 11 total cpu time spent up to now is 19.6 secs Computing kpt #: 12 total cpu time spent up to now is 21.1 secs Computing kpt #: 13 total cpu time spent up to now is 22.6 secs Computing kpt #: 14 total cpu time spent up to now is 24.2 secs Computing kpt #: 15 total cpu time spent up to now is 25.7 secs Computing kpt #: 16 total cpu time spent up to now is 27.2 secs Computing kpt #: 17 total cpu time spent up to now is 28.7 secs Computing kpt #: 18 total cpu time spent up to now is 30.3 secs Computing kpt #: 19 total cpu time spent up to now is 31.8 secs Computing kpt #: 20 total cpu time spent up to now is 33.4 secs Computing kpt #: 21 total cpu time spent up to now is 34.9 secs Computing kpt #: 22 total cpu time spent up to now is 36.5 secs Computing kpt #: 23 total cpu time spent up to now is 38.0 secs Computing kpt #: 24 total cpu time spent up to now is 39.5 secs Computing kpt #: 25 total cpu time spent up to now is 41.1 secs Computing kpt #: 26 total cpu time spent up to now is 42.6 secs Computing kpt #: 27 total cpu time spent up to now is 44.2 secs Computing kpt #: 28 total cpu time spent up to now is 45.7 secs Computing kpt #: 29 total cpu time spent up to now is 47.2 secs Computing kpt #: 30 total cpu time spent up to now is 48.7 secs Computing kpt #: 31 total cpu time spent up to now is 50.2 secs Computing kpt #: 32 total cpu time spent up to now is 51.8 secs Computing kpt #: 33 total cpu time spent up to now is 53.3 secs Computing kpt #: 34 total cpu time spent up to now is 54.8 secs Computing kpt #: 35 total cpu time spent up to now is 56.3 secs Computing kpt #: 36 total cpu time spent up to now is 57.9 secs Computing kpt #: 37 total cpu time spent up to now is 59.4 secs Computing kpt #: 38 total cpu time spent up to now is 60.9 secs Computing kpt #: 39 total cpu time spent up to now is 62.5 secs Computing kpt #: 40 total cpu time spent up to now is 64.0 secs Computing kpt #: 41 total cpu time spent up to now is 65.5 secs Computing kpt #: 42 total cpu time spent up to now is 67.0 secs Computing kpt #: 43 total cpu time spent up to now is 68.5 secs Computing kpt #: 44 total cpu time spent up to now is 70.0 secs Computing kpt #: 45 total cpu time spent up to now is 71.5 secs Computing kpt #: 46 total cpu time spent up to now is 73.1 secs Computing kpt #: 47 total cpu time spent up to now is 74.6 secs Computing kpt #: 48 total cpu time spent up to now is 76.1 secs Computing kpt #: 49 total cpu time spent up to now is 77.6 secs Computing kpt #: 50 total cpu time spent up to now is 79.1 secs Computing kpt #: 51 total cpu time spent up to now is 80.7 secs Computing kpt #: 52 total cpu time spent up to now is 82.2 secs Computing kpt #: 53 total cpu time spent up to now is 83.8 secs Computing kpt #: 54 total cpu time spent up to now is 85.3 secs Computing kpt #: 55 total cpu time spent up to now is 86.8 secs Computing kpt #: 56 total cpu time spent up to now is 88.3 secs Computing kpt #: 57 total cpu time spent up to now is 89.8 secs Computing kpt #: 58 total cpu time spent up to now is 91.4 secs Computing kpt #: 59 total cpu time spent up to now is 92.9 secs Computing kpt #: 60 total cpu time spent up to now is 94.5 secs Computing kpt #: 61 total cpu time spent up to now is 96.0 secs Computing kpt #: 62 total cpu time spent up to now is 97.5 secs Computing kpt #: 63 total cpu time spent up to now is 99.1 secs Computing kpt #: 64 total cpu time spent up to now is 100.6 secs Computing kpt #: 65 total cpu time spent up to now is 102.1 secs Computing kpt #: 66 total cpu time spent up to now is 103.6 secs Computing kpt #: 67 total cpu time spent up to now is 105.1 secs Computing kpt #: 68 total cpu time spent up to now is 106.7 secs Computing kpt #: 69 total cpu time spent up to now is 108.2 secs Computing kpt #: 70 total cpu time spent up to now is 109.7 secs Computing kpt #: 71 total cpu time spent up to now is 111.2 secs Computing kpt #: 72 total cpu time spent up to now is 112.8 secs Computing kpt #: 73 total cpu time spent up to now is 114.3 secs Computing kpt #: 74 total cpu time spent up to now is 115.9 secs Computing kpt #: 75 total cpu time spent up to now is 117.4 secs Computing kpt #: 76 total cpu time spent up to now is 119.0 secs Computing kpt #: 77 total cpu time spent up to now is 120.5 secs Computing kpt #: 78 total cpu time spent up to now is 122.0 secs Computing kpt #: 79 total cpu time spent up to now is 123.5 secs Computing kpt #: 80 total cpu time spent up to now is 125.0 secs Computing kpt #: 81 total cpu time spent up to now is 126.5 secs Computing kpt #: 82 total cpu time spent up to now is 128.0 secs Computing kpt #: 83 total cpu time spent up to now is 129.6 secs Computing kpt #: 84 total cpu time spent up to now is 131.0 secs Computing kpt #: 85 total cpu time spent up to now is 132.5 secs Computing kpt #: 86 total cpu time spent up to now is 134.0 secs Computing kpt #: 87 total cpu time spent up to now is 135.5 secs Computing kpt #: 88 total cpu time spent up to now is 137.0 secs Computing kpt #: 89 total cpu time spent up to now is 138.5 secs Computing kpt #: 90 total cpu time spent up to now is 140.0 secs Computing kpt #: 91 total cpu time spent up to now is 141.5 secs Computing kpt #: 92 total cpu time spent up to now is 143.0 secs Computing kpt #: 93 total cpu time spent up to now is 144.5 secs Computing kpt #: 94 total cpu time spent up to now is 146.0 secs Computing kpt #: 95 total cpu time spent up to now is 147.6 secs Computing kpt #: 96 total cpu time spent up to now is 149.1 secs Computing kpt #: 97 total cpu time spent up to now is 150.6 secs Computing kpt #: 98 total cpu time spent up to now is 152.1 secs Computing kpt #: 99 total cpu time spent up to now is 153.7 secs Computing kpt #: 100 total cpu time spent up to now is 155.2 secs Computing kpt #: 101 total cpu time spent up to now is 156.7 secs Computing kpt #: 102 total cpu time spent up to now is 158.3 secs Computing kpt #: 103 total cpu time spent up to now is 159.9 secs Computing kpt #: 104 total cpu time spent up to now is 161.4 secs Computing kpt #: 105 total cpu time spent up to now is 162.9 secs Computing kpt #: 106 total cpu time spent up to now is 164.5 secs Computing kpt #: 107 total cpu time spent up to now is 166.0 secs Computing kpt #: 108 total cpu time spent up to now is 167.6 secs Computing kpt #: 109 total cpu time spent up to now is 169.1 secs Computing kpt #: 110 total cpu time spent up to now is 170.7 secs Computing kpt #: 111 total cpu time spent up to now is 172.2 secs Computing kpt #: 112 total cpu time spent up to now is 173.9 secs Computing kpt #: 113 total cpu time spent up to now is 175.6 secs Computing kpt #: 114 total cpu time spent up to now is 177.1 secs Computing kpt #: 115 total cpu time spent up to now is 178.6 secs Computing kpt #: 116 total cpu time spent up to now is 180.1 secs Computing kpt #: 117 total cpu time spent up to now is 181.6 secs Computing kpt #: 118 total cpu time spent up to now is 183.1 secs Computing kpt #: 119 total cpu time spent up to now is 184.6 secs Computing kpt #: 120 total cpu time spent up to now is 186.1 secs Computing kpt #: 121 total cpu time spent up to now is 187.6 secs Computing kpt #: 122 total cpu time spent up to now is 189.2 secs Computing kpt #: 123 total cpu time spent up to now is 190.7 secs Computing kpt #: 124 total cpu time spent up to now is 192.2 secs Computing kpt #: 125 total cpu time spent up to now is 193.7 secs Computing kpt #: 126 total cpu time spent up to now is 195.2 secs Computing kpt #: 127 total cpu time spent up to now is 196.7 secs Computing kpt #: 128 total cpu time spent up to now is 198.2 secs Computing kpt #: 129 total cpu time spent up to now is 199.7 secs Computing kpt #: 130 total cpu time spent up to now is 201.2 secs Computing kpt #: 131 total cpu time spent up to now is 202.8 secs Computing kpt #: 132 total cpu time spent up to now is 204.3 secs Computing kpt #: 133 total cpu time spent up to now is 205.8 secs Computing kpt #: 134 total cpu time spent up to now is 207.3 secs Computing kpt #: 135 total cpu time spent up to now is 208.8 secs Computing kpt #: 136 total cpu time spent up to now is 210.3 secs Computing kpt #: 137 total cpu time spent up to now is 211.8 secs Computing kpt #: 138 total cpu time spent up to now is 213.3 secs Computing kpt #: 139 total cpu time spent up to now is 214.8 secs Computing kpt #: 140 total cpu time spent up to now is 216.4 secs Computing kpt #: 141 total cpu time spent up to now is 217.9 secs Computing kpt #: 142 total cpu time spent up to now is 219.5 secs Computing kpt #: 143 total cpu time spent up to now is 221.0 secs Computing kpt #: 144 total cpu time spent up to now is 222.6 secs Computing kpt #: 145 total cpu time spent up to now is 224.1 secs Computing kpt #: 146 total cpu time spent up to now is 225.6 secs Computing kpt #: 147 total cpu time spent up to now is 227.2 secs Computing kpt #: 148 total cpu time spent up to now is 228.7 secs Computing kpt #: 149 total cpu time spent up to now is 230.2 secs Computing kpt #: 150 total cpu time spent up to now is 231.7 secs Computing kpt #: 151 total cpu time spent up to now is 233.3 secs Computing kpt #: 152 total cpu time spent up to now is 234.9 secs Computing kpt #: 153 total cpu time spent up to now is 236.4 secs Computing kpt #: 154 total cpu time spent up to now is 238.0 secs Computing kpt #: 155 total cpu time spent up to now is 239.5 secs Computing kpt #: 156 total cpu time spent up to now is 241.0 secs Computing kpt #: 157 total cpu time spent up to now is 242.6 secs Computing kpt #: 158 total cpu time spent up to now is 244.1 secs Computing kpt #: 159 total cpu time spent up to now is 245.7 secs Computing kpt #: 160 total cpu time spent up to now is 247.2 secs Computing kpt #: 161 total cpu time spent up to now is 248.8 secs Computing kpt #: 162 total cpu time spent up to now is 250.3 secs Computing kpt #: 163 total cpu time spent up to now is 251.9 secs Computing kpt #: 164 total cpu time spent up to now is 253.4 secs Computing kpt #: 165 total cpu time spent up to now is 254.9 secs Computing kpt #: 166 total cpu time spent up to now is 256.4 secs Computing kpt #: 167 total cpu time spent up to now is 257.9 secs Computing kpt #: 168 total cpu time spent up to now is 259.5 secs Computing kpt #: 169 total cpu time spent up to now is 261.0 secs Computing kpt #: 170 total cpu time spent up to now is 262.5 secs Computing kpt #: 171 total cpu time spent up to now is 264.1 secs Computing kpt #: 172 total cpu time spent up to now is 265.6 secs Computing kpt #: 173 total cpu time spent up to now is 267.2 secs Computing kpt #: 174 total cpu time spent up to now is 268.7 secs Computing kpt #: 175 total cpu time spent up to now is 270.2 secs Computing kpt #: 176 total cpu time spent up to now is 271.7 secs Computing kpt #: 177 total cpu time spent up to now is 273.2 secs Computing kpt #: 178 total cpu time spent up to now is 274.7 secs Computing kpt #: 179 total cpu time spent up to now is 276.2 secs Computing kpt #: 180 total cpu time spent up to now is 277.7 secs Computing kpt #: 181 total cpu time spent up to now is 279.2 secs Computing kpt #: 182 total cpu time spent up to now is 280.7 secs Computing kpt #: 183 total cpu time spent up to now is 282.2 secs Computing kpt #: 184 total cpu time spent up to now is 283.7 secs Computing kpt #: 185 total cpu time spent up to now is 285.2 secs Computing kpt #: 186 total cpu time spent up to now is 286.7 secs Computing kpt #: 187 total cpu time spent up to now is 288.2 secs Computing kpt #: 188 total cpu time spent up to now is 289.7 secs Computing kpt #: 189 total cpu time spent up to now is 291.2 secs Computing kpt #: 190 total cpu time spent up to now is 292.7 secs Computing kpt #: 191 total cpu time spent up to now is 294.3 secs Computing kpt #: 192 total cpu time spent up to now is 295.8 secs Computing kpt #: 193 total cpu time spent up to now is 297.3 secs Computing kpt #: 194 total cpu time spent up to now is 298.8 secs Computing kpt #: 195 total cpu time spent up to now is 300.4 secs Computing kpt #: 196 total cpu time spent up to now is 301.9 secs Computing kpt #: 197 total cpu time spent up to now is 303.4 secs Computing kpt #: 198 total cpu time spent up to now is 305.0 secs Computing kpt #: 199 total cpu time spent up to now is 306.5 secs Computing kpt #: 200 total cpu time spent up to now is 308.0 secs Computing kpt #: 201 total cpu time spent up to now is 309.5 secs Computing kpt #: 202 total cpu time spent up to now is 311.1 secs Computing kpt #: 203 total cpu time spent up to now is 312.6 secs Computing kpt #: 204 total cpu time spent up to now is 314.1 secs Computing kpt #: 205 total cpu time spent up to now is 315.6 secs Computing kpt #: 206 total cpu time spent up to now is 317.2 secs Computing kpt #: 207 total cpu time spent up to now is 318.7 secs Computing kpt #: 208 total cpu time spent up to now is 320.2 secs Computing kpt #: 209 total cpu time spent up to now is 321.7 secs Computing kpt #: 210 total cpu time spent up to now is 323.3 secs Computing kpt #: 211 total cpu time spent up to now is 324.8 secs Computing kpt #: 212 total cpu time spent up to now is 326.3 secs Computing kpt #: 213 total cpu time spent up to now is 327.9 secs Computing kpt #: 214 total cpu time spent up to now is 329.4 secs Computing kpt #: 215 total cpu time spent up to now is 330.9 secs Computing kpt #: 216 total cpu time spent up to now is 332.5 secs Computing kpt #: 217 total cpu time spent up to now is 334.0 secs Computing kpt #: 218 total cpu time spent up to now is 335.5 secs Computing kpt #: 219 total cpu time spent up to now is 337.1 secs Computing kpt #: 220 total cpu time spent up to now is 338.6 secs Computing kpt #: 221 total cpu time spent up to now is 340.1 secs Computing kpt #: 222 total cpu time spent up to now is 341.6 secs Computing kpt #: 223 total cpu time spent up to now is 343.2 secs Computing kpt #: 224 total cpu time spent up to now is 344.7 secs Computing kpt #: 225 total cpu time spent up to now is 346.2 secs Computing kpt #: 226 total cpu time spent up to now is 347.8 secs Computing kpt #: 227 total cpu time spent up to now is 349.3 secs Computing kpt #: 228 total cpu time spent up to now is 350.9 secs Computing kpt #: 229 total cpu time spent up to now is 353.1 secs Computing kpt #: 230 total cpu time spent up to now is 354.6 secs Computing kpt #: 231 total cpu time spent up to now is 356.2 secs ethr = 1.39E-08, avg # of iterations = 11.7 total cpu time spent up to now is 356.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 12893 PWs) bands (ev): -17.1520 -17.1520 -16.8372 -16.8372 -16.8372 -16.8372 -14.9225 -14.9225 -14.9222 -14.9222 -14.9222 -14.9222 -12.9974 -12.9974 -6.9295 -6.9295 -6.9295 -6.9295 -6.5025 -6.5025 -2.5887 -2.5887 -2.5260 -2.5260 -2.5260 -2.5260 -2.0802 -2.0802 -2.0802 -2.0802 -1.8821 -1.8821 -1.8115 -1.8115 -1.8115 -1.8115 -1.7108 -1.7108 -1.6092 -1.6092 -1.6092 -1.6092 -0.9500 -0.9500 -0.6391 -0.6391 -0.6391 -0.6391 0.1901 0.1901 0.7329 0.7329 0.7329 0.7329 1.9010 1.9010 1.9068 1.9068 1.9068 1.9068 2.3910 2.3910 2.3910 2.3910 2.4131 2.4131 4.1634 4.1634 5.6675 5.6675 5.7075 5.7075 5.7075 5.7075 6.1952 6.1952 6.1952 6.1952 6.4441 6.4441 6.5092 6.5092 6.5092 6.5092 6.8762 6.8762 k = 0.0000 0.0167-0.0000 ( 12869 PWs) bands (ev): -17.1518 -17.1518 -16.8373 -16.8373 -16.8370 -16.8370 -14.9229 -14.9229 -14.9224 -14.9224 -14.9222 -14.9222 -12.9974 -12.9974 -6.9295 -6.9295 -6.9285 -6.9285 -6.5024 -6.5024 -2.5890 -2.5890 -2.5260 -2.5260 -2.5254 -2.5254 -2.0809 -2.0809 -2.0797 -2.0797 -1.8820 -1.8820 -1.8125 -1.8125 -1.8114 -1.8114 -1.7116 -1.7116 -1.6097 -1.6097 -1.6089 -1.6089 -0.9496 -0.9496 -0.6396 -0.6396 -0.6384 -0.6384 0.1889 0.1889 0.7298 0.7298 0.7316 0.7316 1.9024 1.9024 1.9076 1.9076 1.9090 1.9090 2.3909 2.3909 2.3911 2.3911 2.4131 2.4131 4.1662 4.1662 5.6676 5.6676 5.7070 5.7070 5.7080 5.7080 6.1943 6.1943 6.1981 6.1981 6.4438 6.4438 6.5087 6.5087 6.5089 6.5089 6.8782 6.8782 k = 0.0000 0.0333-0.0000 ( 12845 PWs) bands (ev): -17.1510 -17.1510 -16.8378 -16.8378 -16.8367 -16.8367 -14.9242 -14.9242 -14.9224 -14.9224 -14.9222 -14.9222 -12.9971 -12.9971 -6.9294 -6.9294 -6.9254 -6.9254 -6.5023 -6.5023 -2.5899 -2.5899 -2.5262 -2.5262 -2.5238 -2.5238 -2.0830 -2.0830 -2.0783 -2.0783 -1.8819 -1.8819 -1.8154 -1.8154 -1.8112 -1.8112 -1.7140 -1.7140 -1.6112 -1.6112 -1.6080 -1.6080 -0.9487 -0.9487 -0.6411 -0.6411 -0.6364 -0.6364 0.1853 0.1853 0.7207 0.7207 0.7279 0.7279 1.9045 1.9045 1.9109 1.9109 1.9170 1.9170 2.3904 2.3904 2.3912 2.3912 2.4131 2.4131 4.1747 4.1747 5.6679 5.6679 5.7057 5.7057 5.7098 5.7098 6.1917 6.1917 6.2067 6.2067 6.4429 6.4429 6.5072 6.5072 6.5080 6.5080 6.8839 6.8839 k = 0.0000 0.0500-0.0000 ( 12853 PWs) bands (ev): -17.1497 -17.1497 -16.8386 -16.8386 -16.8362 -16.8362 -14.9266 -14.9266 -14.9224 -14.9224 -14.9222 -14.9222 -12.9967 -12.9967 -6.9293 -6.9293 -6.9203 -6.9203 -6.5021 -6.5021 -2.5914 -2.5914 -2.5265 -2.5265 -2.5211 -2.5211 -2.0867 -2.0867 -2.0760 -2.0760 -1.8817 -1.8817 -1.8200 -1.8200 -1.8109 -1.8109 -1.7185 -1.7185 -1.6128 -1.6128 -1.6066 -1.6066 -0.9472 -0.9472 -0.6436 -0.6436 -0.6328 -0.6328 0.1794 0.1794 0.7059 0.7059 0.7217 0.7217 1.9060 1.9060 1.9169 1.9169 1.9311 1.9311 2.3896 2.3896 2.3913 2.3913 2.4132 2.4132 4.1888 4.1888 5.6678 5.6678 5.7041 5.7041 5.7129 5.7129 6.1873 6.1873 6.2209 6.2209 6.4415 6.4415 6.5048 6.5048 6.5065 6.5065 6.8934 6.8934 k = 0.0000 0.0667-0.0000 ( 12837 PWs) bands (ev): -17.1479 -17.1479 -16.8397 -16.8397 -16.8354 -16.8354 -14.9299 -14.9299 -14.9224 -14.9224 -14.9222 -14.9222 -12.9961 -12.9961 -6.9292 -6.9292 -6.9134 -6.9134 -6.5017 -6.5017 -2.5937 -2.5937 -2.5269 -2.5269 -2.5172 -2.5172 -2.0923 -2.0923 -2.0728 -2.0728 -1.8815 -1.8815 -1.8263 -1.8263 -1.8104 -1.8104 -1.7254 -1.7254 -1.6138 -1.6138 -1.6047 -1.6047 -0.9454 -0.9454 -0.6471 -0.6471 -0.6278 -0.6278 0.1712 0.1712 0.6859 0.6859 0.7133 0.7133 1.9075 1.9075 1.9254 1.9254 1.9503 1.9503 2.3884 2.3884 2.3914 2.3914 2.4135 2.4135 4.2083 4.2083 5.6670 5.6670 5.7026 5.7026 5.7174 5.7174 6.1809 6.1809 6.2403 6.2403 6.4396 6.4396 6.5015 6.5015 6.5044 6.5044 6.9066 6.9066 k = 0.0000 0.0833-0.0000 ( 12825 PWs) bands (ev): -17.1456 -17.1456 -16.8411 -16.8411 -16.8345 -16.8345 -14.9340 -14.9340 -14.9224 -14.9224 -14.9221 -14.9221 -12.9954 -12.9954 -6.9290 -6.9290 -6.9047 -6.9047 -6.5010 -6.5010 -2.5970 -2.5970 -2.5274 -2.5274 -2.5120 -2.5120 -2.1002 -2.1002 -2.0690 -2.0690 -1.8812 -1.8812 -1.8342 -1.8342 -1.8097 -1.8097 -1.7345 -1.7345 -1.6133 -1.6133 -1.6022 -1.6022 -0.9436 -0.9436 -0.6516 -0.6516 -0.6213 -0.6213 0.1607 0.1607 0.6613 0.6613 0.7028 0.7028 1.9091 1.9091 1.9362 1.9362 1.9737 1.9737 2.3870 2.3870 2.3914 2.3914 2.4144 2.4144 4.2329 4.2329 5.6648 5.6648 5.7019 5.7019 5.7236 5.7236 6.1725 6.1725 6.2643 6.2643 6.4374 6.4374 6.4974 6.4974 6.5019 6.5019 6.9235 6.9235 k = 0.0000 0.1000-0.0000 ( 12821 PWs) bands (ev): -17.1428 -17.1428 -16.8428 -16.8428 -16.8333 -16.8333 -14.9390 -14.9390 -14.9224 -14.9224 -14.9221 -14.9221 -12.9945 -12.9945 -6.9288 -6.9288 -6.8946 -6.8946 -6.4998 -6.4998 -2.6012 -2.6012 -2.5279 -2.5279 -2.5058 -2.5058 -2.1106 -2.1106 -2.0645 -2.0645 -1.8808 -1.8808 -1.8441 -1.8441 -1.8090 -1.8090 -1.7450 -1.7450 -1.6109 -1.6109 -1.5991 -1.5991 -0.9420 -0.9420 -0.6569 -0.6569 -0.6132 -0.6132 0.1480 0.1480 0.6328 0.6328 0.6905 0.6905 1.9111 1.9111 1.9489 1.9489 2.0004 2.0004 2.3852 2.3852 2.3913 2.3913 2.4160 2.4160 4.2624 4.2624 5.6611 5.6611 5.7024 5.7024 5.7314 5.7314 6.1619 6.1619 6.2924 6.2924 6.4349 6.4349 6.4928 6.4928 6.4989 6.4989 6.9439 6.9439 k = 0.0000 0.1167-0.0000 ( 12821 PWs) bands (ev): -17.1395 -17.1395 -16.8448 -16.8448 -16.8320 -16.8320 -14.9448 -14.9448 -14.9224 -14.9224 -14.9220 -14.9220 -12.9935 -12.9935 -6.9285 -6.9285 -6.8832 -6.8832 -6.4979 -6.4979 -2.6064 -2.6064 -2.5285 -2.5285 -2.4984 -2.4984 -2.1241 -2.1241 -2.0597 -2.0597 -1.8805 -1.8805 -1.8566 -1.8566 -1.8083 -1.8083 -1.7551 -1.7551 -1.6062 -1.6062 -1.5955 -1.5955 -0.9409 -0.9409 -0.6631 -0.6631 -0.6035 -0.6035 0.1332 0.1332 0.6009 0.6009 0.6764 0.6764 1.9134 1.9134 1.9633 1.9633 2.0295 2.0295 2.3831 2.3831 2.3910 2.3910 2.4187 2.4187 4.2964 4.2964 5.6564 5.6564 5.7038 5.7038 5.7410 5.7410 6.1492 6.1492 6.3235 6.3235 6.4324 6.4324 6.4876 6.4876 6.4956 6.4956 6.9679 6.9679 k = 0.0000 0.1333-0.0000 ( 12829 PWs) bands (ev): -17.1357 -17.1357 -16.8472 -16.8472 -16.8305 -16.8305 -14.9513 -14.9513 -14.9225 -14.9225 -14.9220 -14.9220 -12.9924 -12.9924 -6.9282 -6.9282 -6.8709 -6.8709 -6.4951 -6.4951 -2.6125 -2.6125 -2.5291 -2.5291 -2.4901 -2.4901 -2.1409 -2.1409 -2.0547 -2.0547 -1.8804 -1.8804 -1.8719 -1.8719 -1.8079 -1.8079 -1.7630 -1.7630 -1.5996 -1.5996 -1.5909 -1.5909 -0.9404 -0.9404 -0.6701 -0.6701 -0.5924 -0.5924 0.1164 0.1164 0.5663 0.5663 0.6610 0.6610 1.9160 1.9160 1.9793 1.9793 2.0599 2.0599 2.3807 2.3807 2.3905 2.3905 2.4229 2.4229 4.3346 4.3346 5.6512 5.6512 5.7060 5.7060 5.7522 5.7522 6.1342 6.1342 6.3561 6.3561 6.4305 6.4305 6.4823 6.4823 6.4921 6.4921 6.9954 6.9954 k = 0.0000 0.1500-0.0000 ( 12845 PWs) bands (ev): -17.1315 -17.1315 -16.8498 -16.8498 -16.8289 -16.8289 -14.9584 -14.9584 -14.9225 -14.9225 -14.9219 -14.9219 -12.9912 -12.9912 -6.9278 -6.9278 -6.8580 -6.8580 -6.4910 -6.4910 -2.6197 -2.6197 -2.5298 -2.5298 -2.4811 -2.4811 -2.1614 -2.1614 -2.0499 -2.0499 -1.8910 -1.8910 -1.8791 -1.8791 -1.8080 -1.8080 -1.7676 -1.7676 -1.5922 -1.5922 -1.5841 -1.5841 -0.9408 -0.9408 -0.6779 -0.6779 -0.5798 -0.5798 0.0978 0.0978 0.5294 0.5294 0.6444 0.6444 1.9188 1.9188 1.9965 1.9965 2.0906 2.0906 2.3779 2.3779 2.3900 2.3900 2.4289 2.4289 4.3764 4.3764 5.6461 5.6461 5.7087 5.7087 5.7649 5.7649 6.1172 6.1172 6.3858 6.3858 6.4313 6.4313 6.4777 6.4777 6.4891 6.4891 7.0264 7.0264 k = 0.0000 0.1667-0.0000 ( 12821 PWs) bands (ev): -17.1269 -17.1269 -16.8528 -16.8528 -16.8271 -16.8271 -14.9660 -14.9660 -14.9225 -14.9225 -14.9218 -14.9218 -12.9899 -12.9899 -6.9273 -6.9273 -6.8450 -6.8450 -6.4854 -6.4854 -2.6277 -2.6277 -2.5304 -2.5304 -2.4715 -2.4715 -2.1858 -2.1858 -2.0458 -2.0458 -1.9105 -1.9105 -1.8787 -1.8787 -1.8086 -1.8086 -1.7690 -1.7690 -1.5859 -1.5859 -1.5731 -1.5731 -0.9419 -0.9419 -0.6864 -0.6864 -0.5660 -0.5660 0.0775 0.0775 0.4906 0.4906 0.6270 0.6270 1.9219 1.9219 2.0146 2.0146 2.1208 2.1208 2.3747 2.3747 2.3896 2.3896 2.4370 2.4370 4.4214 4.4214 5.6415 5.6415 5.7118 5.7118 5.7790 5.7790 6.0981 6.0981 6.4019 6.4019 6.4393 6.4393 6.4750 6.4750 6.4910 6.4910 7.0609 7.0609 k = 0.0000 0.1833-0.0000 ( 12829 PWs) bands (ev): -17.1219 -17.1219 -16.8561 -16.8561 -16.8251 -16.8251 -14.9742 -14.9742 -14.9225 -14.9225 -14.9217 -14.9217 -12.9886 -12.9886 -6.9268 -6.9268 -6.8324 -6.8324 -6.4779 -6.4779 -2.6366 -2.6366 -2.5312 -2.5312 -2.4615 -2.4615 -2.2143 -2.2143 -2.0433 -2.0433 -1.9296 -1.9296 -1.8780 -1.8780 -1.8094 -1.8094 -1.7682 -1.7682 -1.5802 -1.5802 -1.5582 -1.5582 -0.9440 -0.9440 -0.6955 -0.6955 -0.5513 -0.5513 0.0558 0.0558 0.4503 0.4503 0.6090 0.6090 1.9253 1.9253 2.0333 2.0333 2.1494 2.1494 2.3712 2.3712 2.3894 2.3894 2.4478 2.4478 4.4691 4.4691 5.6380 5.6380 5.7151 5.7151 5.7943 5.7943 6.0772 6.0772 6.4034 6.4034 6.4443 6.4443 6.4721 6.4721 6.5106 6.5106 7.0989 7.0989 k = 0.0000 0.2000-0.0000 ( 12793 PWs) bands (ev): -17.1164 -17.1164 -16.8596 -16.8596 -16.8231 -16.8231 -14.9827 -14.9827 -14.9226 -14.9226 -14.9216 -14.9216 -12.9872 -12.9872 -6.9262 -6.9262 -6.8205 -6.8205 -6.4683 -6.4683 -2.6462 -2.6462 -2.5320 -2.5320 -2.4516 -2.4516 -2.2467 -2.2467 -2.0434 -2.0434 -1.9456 -1.9456 -1.8770 -1.8770 -1.8102 -1.8102 -1.7660 -1.7660 -1.5745 -1.5745 -1.5399 -1.5399 -0.9469 -0.9469 -0.7050 -0.7050 -0.5359 -0.5359 0.0329 0.0329 0.4087 0.4087 0.5907 0.5907 1.9289 1.9289 2.0522 2.0522 2.1755 2.1755 2.3673 2.3673 2.3898 2.3898 2.4615 2.4615 4.5190 4.5190 5.6360 5.6360 5.7186 5.7186 5.8107 5.8107 6.0546 6.0546 6.3997 6.3997 6.4406 6.4406 6.4670 6.4670 6.5450 6.5450 7.1404 7.1404 k = 0.0000 0.2167-0.0000 ( 12793 PWs) bands (ev): -17.1107 -17.1107 -16.8635 -16.8635 -16.8210 -16.8210 -14.9915 -14.9915 -14.9226 -14.9226 -14.9215 -14.9215 -12.9858 -12.9858 -6.9256 -6.9256 -6.8098 -6.8098 -6.4563 -6.4563 -2.6565 -2.6565 -2.5328 -2.5328 -2.4422 -2.4422 -2.2825 -2.2825 -2.0472 -2.0472 -1.9563 -1.9563 -1.8758 -1.8758 -1.8109 -1.8109 -1.7634 -1.7634 -1.5685 -1.5685 -1.5184 -1.5184 -0.9507 -0.9507 -0.7149 -0.7149 -0.5200 -0.5200 0.0089 0.0089 0.3662 0.3662 0.5723 0.5723 1.9327 1.9327 2.0711 2.0711 2.1985 2.1985 2.3632 2.3632 2.3907 2.3907 2.4784 2.4784 4.5704 4.5704 5.6356 5.6356 5.7223 5.7223 5.8280 5.8280 6.0306 6.0306 6.3941 6.3941 6.4335 6.4335 6.4607 6.4607 6.5840 6.5840 7.1852 7.1852 k = 0.0000 0.2333-0.0000 ( 12777 PWs) bands (ev): -17.1045 -17.1045 -16.8676 -16.8676 -16.8188 -16.8188 -15.0005 -15.0005 -14.9226 -14.9226 -14.9214 -14.9214 -12.9843 -12.9843 -6.9249 -6.9249 -6.8005 -6.8005 -6.4417 -6.4417 -2.6674 -2.6674 -2.5338 -2.5338 -2.4341 -2.4341 -2.3205 -2.3205 -2.0548 -2.0548 -1.9612 -1.9612 -1.8744 -1.8744 -1.8115 -1.8115 -1.7610 -1.7610 -1.5621 -1.5621 -1.4939 -1.4939 -0.9552 -0.9552 -0.7250 -0.7250 -0.5040 -0.5040 -0.0158 -0.0158 0.3229 0.3229 0.5540 0.5540 1.9367 1.9367 2.0895 2.0895 2.2180 2.2180 2.3588 2.3588 2.3924 2.3924 2.4984 2.4984 4.6229 4.6229 5.6374 5.6374 5.7260 5.7260 5.8462 5.8462 6.0053 6.0053 6.3874 6.3874 6.4249 6.4249 6.4536 6.4536 6.6240 6.6240 7.2331 7.2331 k = 0.0000 0.2500-0.0000 ( 12781 PWs) bands (ev): -17.0981 -17.0981 -16.8720 -16.8720 -16.8166 -16.8166 -15.0096 -15.0096 -14.9227 -14.9227 -14.9213 -14.9213 -12.9829 -12.9829 -6.9241 -6.9241 -6.7929 -6.7929 -6.4247 -6.4247 -2.6790 -2.6790 -2.5350 -2.5350 -2.4303 -2.4303 -2.3572 -2.3572 -2.0647 -2.0647 -1.9613 -1.9613 -1.8728 -1.8728 -1.8119 -1.8119 -1.7590 -1.7590 -1.5552 -1.5552 -1.4666 -1.4666 -0.9603 -0.9603 -0.7352 -0.7352 -0.4881 -0.4881 -0.0410 -0.0410 0.2791 0.2791 0.5360 0.5360 1.9408 1.9408 2.1071 2.1071 2.2340 2.2340 2.3542 2.3542 2.3950 2.3950 2.5213 2.5213 4.6758 4.6758 5.6415 5.6415 5.7298 5.7298 5.8649 5.8649 5.9790 5.9790 6.3801 6.3801 6.4154 6.4154 6.4457 6.4457 6.6637 6.6637 7.2838 7.2838 k = 0.0000 0.2667-0.0000 ( 12781 PWs) bands (ev): -17.0914 -17.0914 -16.8767 -16.8767 -16.8144 -16.8144 -15.0187 -15.0187 -14.9227 -14.9227 -14.9212 -14.9212 -12.9815 -12.9815 -6.9232 -6.9232 -6.7870 -6.7870 -6.4054 -6.4054 -2.6910 -2.6910 -2.5365 -2.5365 -2.4410 -2.4410 -2.3818 -2.3818 -2.0751 -2.0751 -1.9584 -1.9584 -1.8709 -1.8709 -1.8122 -1.8122 -1.7578 -1.7578 -1.5478 -1.5478 -1.4367 -1.4367 -0.9658 -0.9658 -0.7452 -0.7452 -0.4728 -0.4728 -0.0666 -0.0666 0.2350 0.2350 0.5184 0.5184 1.9450 1.9450 2.1235 2.1235 2.2468 2.2468 2.3495 2.3495 2.3986 2.3986 2.5464 2.5464 4.7285 4.7285 5.6481 5.6481 5.7336 5.7336 5.8842 5.8842 5.9520 5.9520 6.3721 6.3721 6.4049 6.4049 6.4372 6.4372 6.7021 6.7021 7.3367 7.3367 k = 0.0000 0.2833-0.0000 ( 12773 PWs) bands (ev): -17.0845 -17.0845 -16.8816 -16.8816 -16.8121 -16.8121 -15.0276 -15.0276 -14.9227 -14.9227 -14.9211 -14.9211 -12.9801 -12.9801 -6.9223 -6.9223 -6.7827 -6.7827 -6.3841 -6.3841 -2.7036 -2.7036 -2.5389 -2.5389 -2.4727 -2.4727 -2.3861 -2.3861 -2.0846 -2.0846 -1.9539 -1.9539 -1.8687 -1.8687 -1.8124 -1.8124 -1.7573 -1.7573 -1.5397 -1.5397 -1.4049 -1.4049 -0.9715 -0.9715 -0.7549 -0.7549 -0.4583 -0.4583 -0.0921 -0.0921 0.1909 0.1909 0.5016 0.5016 1.9492 1.9492 2.1386 2.1386 2.2568 2.2568 2.3446 2.3446 2.4032 2.4032 2.5729 2.5729 4.7805 4.7805 5.6575 5.6575 5.7373 5.7373 5.9037 5.9037 5.9248 5.9248 6.3638 6.3638 6.3936 6.3936 6.4281 6.4281 6.7389 6.7389 7.3913 7.3913 k = 0.0000 0.3000-0.0000 ( 12765 PWs) bands (ev): -17.0773 -17.0773 -16.8868 -16.8868 -16.8099 -16.8099 -15.0364 -15.0364 -14.9228 -14.9228 -14.9210 -14.9210 -12.9788 -12.9788 -6.9213 -6.9213 -6.7798 -6.7798 -6.3613 -6.3613 -2.7167 -2.7167 -2.5453 -2.5453 -2.5093 -2.5093 -2.3824 -2.3824 -2.0926 -2.0926 -1.9486 -1.9486 -1.8662 -1.8662 -1.8126 -1.8126 -1.7577 -1.7577 -1.5310 -1.5310 -1.3718 -1.3718 -0.9770 -0.9770 -0.7642 -0.7642 -0.4451 -0.4451 -0.1176 -0.1176 0.1471 0.1471 0.4855 0.4855 1.9535 1.9535 2.1521 2.1521 2.2646 2.2646 2.3398 2.3398 2.4089 2.4089 2.6001 2.6001 4.8310 4.8310 5.6694 5.6694 5.7410 5.7410 5.8970 5.8970 5.9240 5.9240 6.3553 6.3553 6.3813 6.3813 6.4184 6.4184 6.7739 6.7739 7.4469 7.4469 k = 0.0000 0.3167-0.0000 ( 12761 PWs) bands (ev): -17.0700 -17.0700 -16.8922 -16.8922 -16.8078 -16.8078 -15.0449 -15.0449 -14.9228 -14.9228 -14.9210 -14.9210 -12.9776 -12.9776 -6.9203 -6.9203 -6.7782 -6.7782 -6.3374 -6.3374 -2.7306 -2.7306 -2.5696 -2.5696 -2.5292 -2.5292 -2.3774 -2.3774 -2.0987 -2.0987 -1.9430 -1.9430 -1.8635 -1.8635 -1.8127 -1.8127 -1.7589 -1.7589 -1.5215 -1.5215 -1.3383 -1.3383 -0.9817 -0.9817 -0.7728 -0.7728 -0.4337 -0.4337 -0.1425 -0.1425 0.1041 0.1041 0.4703 0.4703 1.9577 1.9577 2.1639 2.1639 2.2707 2.2707 2.3350 2.3350 2.4156 2.4156 2.6272 2.6272 4.8796 4.8796 5.6837 5.6837 5.7446 5.7446 5.8704 5.8704 5.9437 5.9437 6.3465 6.3465 6.3680 6.3680 6.4083 6.4083 6.8067 6.8067 7.5026 7.5026 k = 0.0000 0.3333-0.0000 ( 12761 PWs) bands (ev): -17.0626 -17.0626 -16.8978 -16.8978 -16.8058 -16.8058 -15.0530 -15.0530 -14.9228 -14.9228 -14.9209 -14.9209 -12.9764 -12.9764 -6.9192 -6.9192 -6.7777 -6.7777 -6.3130 -6.3130 -2.7456 -2.7456 -2.6071 -2.6071 -2.5342 -2.5342 -2.3725 -2.3725 -2.1030 -2.1030 -1.9374 -1.9374 -1.8605 -1.8605 -1.8128 -1.8128 -1.7609 -1.7609 -1.5114 -1.5114 -1.3058 -1.3058 -0.9843 -0.9843 -0.7806 -0.7806 -0.4249 -0.4249 -0.1667 -0.1667 0.0624 0.0624 0.4561 0.4561 1.9618 1.9618 2.1740 2.1740 2.2754 2.2754 2.3302 2.3302 2.4231 2.4231 2.6536 2.6536 4.9259 4.9259 5.6995 5.6995 5.7481 5.7481 5.8453 5.8453 5.9634 5.9634 6.3372 6.3372 6.3541 6.3541 6.3978 6.3978 6.8373 6.8373 7.5575 7.5575 k = 0.0000 0.3500-0.0000 ( 12757 PWs) bands (ev): -17.0551 -17.0551 -16.9036 -16.9036 -16.8038 -16.8038 -15.0606 -15.0606 -14.9229 -14.9229 -14.9208 -14.9208 -12.9753 -12.9753 -6.9182 -6.9182 -6.7779 -6.7779 -6.2888 -6.2888 -2.7624 -2.7624 -2.6438 -2.6438 -2.5364 -2.5364 -2.3683 -2.3683 -2.1056 -2.1056 -1.9322 -1.9322 -1.8572 -1.8572 -1.8129 -1.8129 -1.7635 -1.7635 -1.5005 -1.5005 -1.2760 -1.2760 -0.9835 -0.9835 -0.7875 -0.7875 -0.4198 -0.4198 -0.1893 -0.1893 0.0227 0.0227 0.4430 0.4430 1.9658 1.9658 2.1824 2.1824 2.2790 2.2790 2.3257 2.3257 2.4312 2.4312 2.6788 2.6788 4.9693 4.9693 5.7145 5.7145 5.7515 5.7515 5.8242 5.8242 5.9829 5.9829 6.3267 6.3267 6.3405 6.3405 6.3871 6.3871 6.8655 6.8655 7.6109 7.6109 k = 0.0000 0.3667-0.0000 ( 12765 PWs) bands (ev): -17.0476 -17.0476 -16.9095 -16.9095 -16.8020 -16.8020 -15.0677 -15.0677 -14.9229 -14.9229 -14.9207 -14.9207 -12.9743 -12.9743 -6.9171 -6.9171 -6.7788 -6.7788 -6.2652 -6.2652 -2.7817 -2.7817 -2.6756 -2.6756 -2.5379 -2.5379 -2.3649 -2.3649 -2.1066 -2.1066 -1.9273 -1.9273 -1.8536 -1.8536 -1.8129 -1.8129 -1.7667 -1.7667 -1.4891 -1.4891 -1.2510 -1.2510 -0.9771 -0.9771 -0.7936 -0.7936 -0.4198 -0.4198 -0.2093 -0.2093 -0.0146 -0.0146 0.4310 0.4310 1.9696 1.9696 2.1892 2.1892 2.2818 2.2818 2.3213 2.3213 2.4396 2.4396 2.7023 2.7023 5.0095 5.0095 5.7233 5.7233 5.7547 5.7547 5.8126 5.8126 6.0018 6.0018 6.3128 6.3128 6.3293 6.3293 6.3763 6.3763 6.8912 6.8912 7.6617 7.6617 k = 0.0000 0.3833-0.0000 ( 12761 PWs) bands (ev): -17.0401 -17.0401 -16.9155 -16.9155 -16.8003 -16.8003 -15.0741 -15.0741 -14.9229 -14.9229 -14.9206 -14.9206 -12.9734 -12.9734 -6.9161 -6.9161 -6.7800 -6.7800 -6.2428 -6.2428 -2.8037 -2.8037 -2.7011 -2.7011 -2.5391 -2.5391 -2.3622 -2.3622 -2.1065 -2.1065 -1.9230 -1.9230 -1.8498 -1.8498 -1.8131 -1.8131 -1.7703 -1.7703 -1.4771 -1.4771 -1.2330 -1.2330 -0.9631 -0.9631 -0.7987 -0.7987 -0.4266 -0.4266 -0.2253 -0.2253 -0.0487 -0.0487 0.4203 0.4203 1.9732 1.9732 2.1947 2.1947 2.2840 2.2840 2.3173 2.3173 2.4479 2.4479 2.7238 2.7238 5.0463 5.0463 5.7195 5.7195 5.7571 5.7571 5.8173 5.8173 6.0199 6.0199 6.2956 6.2956 6.3208 6.3208 6.3655 6.3655 6.9144 6.9144 7.7090 7.7090 k = 0.0000 0.4000-0.0000 ( 12773 PWs) bands (ev): -17.0328 -17.0328 -16.9216 -16.9216 -16.7988 -16.7988 -15.0799 -15.0799 -14.9230 -14.9230 -14.9206 -14.9206 -12.9726 -12.9726 -6.9151 -6.9151 -6.7814 -6.7814 -6.2221 -6.2221 -2.8275 -2.8275 -2.7204 -2.7204 -2.5401 -2.5401 -2.3603 -2.3603 -2.1054 -2.1054 -1.9193 -1.9193 -1.8459 -1.8459 -1.8132 -1.8132 -1.7741 -1.7741 -1.4648 -1.4648 -1.2229 -1.2229 -0.9407 -0.9407 -0.8029 -0.8029 -0.4417 -0.4417 -0.2361 -0.2361 -0.0792 -0.0792 0.4110 0.4110 1.9764 1.9764 2.1990 2.1990 2.2857 2.2857 2.3135 2.3135 2.4559 2.4559 2.7430 2.7430 5.0794 5.0794 5.7053 5.7053 5.7591 5.7591 5.8356 5.8356 6.0371 6.0371 6.2764 6.2764 6.3139 6.3139 6.3549 6.3549 6.9349 6.9349 7.7521 7.7521 k = 0.0000 0.4167-0.0000 ( 12761 PWs) bands (ev): -17.0257 -17.0257 -16.9275 -16.9275 -16.7975 -16.7975 -15.0848 -15.0848 -14.9230 -14.9230 -14.9205 -14.9205 -12.9719 -12.9719 -6.9142 -6.9142 -6.7828 -6.7828 -6.2037 -6.2037 -2.8511 -2.8511 -2.7345 -2.7345 -2.5409 -2.5409 -2.3589 -2.3589 -2.1037 -2.1037 -1.9161 -1.9161 -1.8419 -1.8419 -1.8135 -1.8135 -1.7781 -1.7781 -1.4525 -1.4525 -1.2198 -1.2198 -0.9106 -0.9106 -0.8063 -0.8063 -0.4652 -0.4652 -0.2414 -0.2414 -0.1060 -0.1060 0.4029 0.4029 1.9792 1.9792 2.2024 2.2024 2.2870 2.2870 2.3102 2.3102 2.4632 2.4632 2.7597 2.7597 5.1085 5.1085 5.6874 5.6874 5.7609 5.7609 5.8599 5.8599 6.0529 6.0529 6.2561 6.2561 6.3082 6.3082 6.3448 6.3448 6.9525 6.9525 7.7901 7.7901 k = 0.0000 0.4333-0.0000 ( 12761 PWs) bands (ev): -17.0190 -17.0190 -16.9332 -16.9332 -16.7964 -16.7964 -15.0889 -15.0889 -14.9230 -14.9230 -14.9205 -14.9205 -12.9714 -12.9714 -6.9134 -6.9134 -6.7842 -6.7842 -6.1879 -6.1879 -2.8726 -2.8726 -2.7448 -2.7448 -2.5416 -2.5416 -2.3580 -2.3580 -2.1019 -2.1019 -1.9136 -1.9136 -1.8379 -1.8379 -1.8139 -1.8139 -1.7819 -1.7819 -1.4406 -1.4406 -1.2219 -1.2219 -0.8748 -0.8748 -0.8090 -0.8090 -0.4955 -0.4955 -0.2421 -0.2421 -0.1290 -0.1290 0.3963 0.3963 1.9816 1.9816 2.2049 2.2049 2.2880 2.2880 2.3074 2.3074 2.4696 2.4696 2.7735 2.7735 5.1333 5.1333 5.6698 5.6698 5.7625 5.7625 5.8859 5.8859 6.0669 6.0669 6.2356 6.2356 6.3036 6.3036 6.3355 6.3355 6.9671 6.9671 7.8223 7.8223 k = 0.0000 0.4500-0.0000 ( 12773 PWs) bands (ev): -17.0131 -17.0131 -16.9384 -16.9384 -16.7956 -16.7956 -15.0922 -15.0922 -14.9230 -14.9230 -14.9204 -14.9204 -12.9709 -12.9709 -6.9128 -6.9128 -6.7854 -6.7854 -6.1753 -6.1753 -2.8905 -2.8905 -2.7523 -2.7523 -2.5421 -2.5421 -2.3574 -2.3574 -2.1001 -2.1001 -1.9116 -1.9116 -1.8342 -1.8342 -1.8144 -1.8144 -1.7854 -1.7854 -1.4299 -1.4299 -1.2266 -1.2266 -0.8359 -0.8359 -0.8110 -0.8110 -0.5303 -0.5303 -0.2397 -0.2397 -0.1481 -0.1481 0.3911 0.3911 1.9836 1.9836 2.2067 2.2067 2.2888 2.2888 2.3051 2.3051 2.4747 2.4747 2.7845 2.7845 5.1534 5.1534 5.6544 5.6544 5.7638 5.7638 5.9109 5.9109 6.0786 6.0786 6.2161 6.2161 6.2999 6.2999 6.3274 6.3274 6.9787 6.9787 7.8480 7.8480 k = 0.0000 0.4667-0.0000 ( 12761 PWs) bands (ev): -17.0082 -17.0082 -16.9428 -16.9428 -16.7949 -16.7949 -15.0946 -15.0946 -14.9230 -14.9230 -14.9204 -14.9204 -12.9706 -12.9706 -6.9123 -6.9123 -6.7863 -6.7863 -6.1660 -6.1660 -2.9039 -2.9039 -2.7573 -2.7573 -2.5425 -2.5425 -2.3570 -2.3570 -2.0987 -2.0987 -1.9102 -1.9102 -1.8308 -1.8308 -1.8152 -1.8152 -1.7882 -1.7882 -1.4211 -1.4211 -1.2320 -1.2320 -0.8124 -0.8124 -0.7969 -0.7969 -0.5665 -0.5665 -0.2356 -0.2356 -0.1633 -0.1633 0.3874 0.3874 1.9850 1.9850 2.2079 2.2079 2.2894 2.2894 2.3034 2.3034 2.4786 2.4786 2.7924 2.7924 5.1683 5.1683 5.6425 5.6425 5.7647 5.7647 5.9323 5.9323 6.0876 6.0876 6.1990 6.1990 6.2974 6.2974 6.3210 6.3210 6.9870 6.9870 7.8668 7.8668 k = 0.0000 0.4833-0.0000 ( 12761 PWs) bands (ev): -17.0049 -17.0049 -16.9458 -16.9458 -16.7946 -16.7946 -15.0960 -15.0960 -14.9230 -14.9230 -14.9204 -14.9204 -12.9704 -12.9704 -6.9120 -6.9120 -6.7869 -6.7869 -6.1603 -6.1603 -2.9121 -2.9121 -2.7602 -2.7602 -2.5428 -2.5428 -2.3568 -2.3568 -2.0977 -2.0977 -1.9094 -1.9094 -1.8283 -1.8283 -1.8160 -1.8160 -1.7901 -1.7901 -1.4153 -1.4153 -1.2361 -1.2361 -0.8132 -0.8132 -0.7636 -0.7636 -0.5982 -0.5982 -0.2315 -0.2315 -0.1736 -0.1736 0.3852 0.3852 1.9858 1.9858 2.2086 2.2086 2.2897 2.2897 2.3023 2.3023 2.4809 2.4809 2.7971 2.7971 5.1774 5.1774 5.6349 5.6349 5.7653 5.7653 5.9472 5.9472 6.0933 6.0933 6.1870 6.1870 6.2958 6.2958 6.3169 6.3169 6.9921 6.9921 7.8782 7.8782 k = 0.0000 0.5000-0.0000 ( 12732 PWs) bands (ev): -17.0037 -17.0037 -16.9468 -16.9468 -16.7944 -16.7944 -15.0965 -15.0965 -14.9230 -14.9230 -14.9204 -14.9204 -12.9703 -12.9703 -6.9119 -6.9119 -6.7871 -6.7871 -6.1584 -6.1584 -2.9149 -2.9149 -2.7612 -2.7612 -2.5428 -2.5428 -2.3568 -2.3568 -2.0974 -2.0974 -1.9091 -1.9091 -1.8273 -1.8273 -1.8164 -1.8164 -1.7907 -1.7907 -1.4132 -1.4132 -1.2376 -1.2376 -0.8134 -0.8134 -0.7488 -0.7488 -0.6125 -0.6125 -0.2297 -0.2297 -0.1775 -0.1775 0.3844 0.3844 1.9861 1.9861 2.2089 2.2089 2.2898 2.2898 2.3020 2.3020 2.4817 2.4817 2.7987 2.7987 5.1806 5.1806 5.6323 5.6323 5.7655 5.7655 5.9525 5.9525 6.0952 6.0952 6.1826 6.1826 6.2953 6.2953 6.3155 6.3155 6.9938 6.9938 7.8821 7.8821 k = 0.0000 0.5000-0.0000 ( 12732 PWs) bands (ev): -17.0037 -17.0037 -16.9468 -16.9468 -16.7944 -16.7944 -15.0965 -15.0965 -14.9230 -14.9230 -14.9204 -14.9204 -12.9703 -12.9703 -6.9119 -6.9119 -6.7871 -6.7871 -6.1584 -6.1584 -2.9149 -2.9149 -2.7612 -2.7612 -2.5428 -2.5428 -2.3568 -2.3568 -2.0974 -2.0974 -1.9091 -1.9091 -1.8273 -1.8273 -1.8164 -1.8164 -1.7907 -1.7907 -1.4132 -1.4132 -1.2376 -1.2376 -0.8134 -0.8134 -0.7488 -0.7488 -0.6125 -0.6125 -0.2297 -0.2297 -0.1775 -0.1775 0.3844 0.3844 1.9861 1.9861 2.2089 2.2089 2.2898 2.2898 2.3020 2.3020 2.4817 2.4817 2.7987 2.7987 5.1806 5.1806 5.6323 5.6323 5.7655 5.7655 5.9525 5.9525 6.0952 6.0952 6.1826 6.1826 6.2953 6.2953 6.3155 6.3155 6.9938 6.9938 7.8821 7.8821 k = 0.0167 0.5000-0.0000 ( 12758 PWs) bands (ev): -17.0035 -17.0035 -16.9468 -16.9468 -16.7945 -16.7945 -15.0965 -15.0965 -14.9230 -14.9230 -14.9208 -14.9208 -12.9704 -12.9704 -6.9102 -6.9102 -6.7874 -6.7874 -6.1583 -6.1583 -2.9152 -2.9152 -2.7611 -2.7611 -2.5430 -2.5430 -2.3562 -2.3562 -2.0977 -2.0977 -1.9091 -1.9091 -1.8377 -1.8377 -1.8133 -1.8133 -1.7879 -1.7879 -1.4122 -1.4122 -1.2377 -1.2377 -0.8319 -0.8319 -0.7291 -0.7291 -0.6122 -0.6122 -0.2284 -0.2284 -0.1783 -0.1783 0.3846 0.3846 1.9871 1.9871 2.2081 2.2081 2.2891 2.2891 2.3026 2.3026 2.4800 2.4800 2.7987 2.7987 5.1819 5.1819 5.6331 5.6331 5.7662 5.7662 5.9530 5.9530 6.0962 6.0962 6.1828 6.1828 6.2952 6.2952 6.3154 6.3154 6.9955 6.9955 7.8821 7.8821 k = 0.0333 0.5000-0.0000 ( 12758 PWs) bands (ev): -17.0027 -17.0027 -16.9467 -16.9467 -16.7947 -16.7947 -15.0966 -15.0966 -14.9230 -14.9230 -14.9220 -14.9220 -12.9704 -12.9704 -6.9053 -6.9053 -6.7885 -6.7885 -6.1580 -6.1580 -2.9160 -2.9160 -2.7609 -2.7609 -2.5437 -2.5437 -2.3546 -2.3546 -2.0987 -2.0987 -1.9091 -1.9091 -1.8574 -1.8574 -1.8127 -1.8127 -1.7821 -1.7821 -1.4092 -1.4092 -1.2380 -1.2380 -0.8646 -0.8646 -0.6929 -0.6929 -0.6113 -0.6113 -0.2246 -0.2246 -0.1807 -0.1807 0.3851 0.3851 1.9902 1.9902 2.2057 2.2057 2.2871 2.2871 2.3043 2.3043 2.4749 2.4749 2.7987 2.7987 5.1857 5.1857 5.6355 5.6355 5.7684 5.7684 5.9541 5.9541 6.0993 6.0993 6.1832 6.1832 6.2948 6.2948 6.3151 6.3151 7.0006 7.0006 7.8821 7.8821 k = 0.0500 0.5000-0.0000 ( 12762 PWs) bands (ev): -17.0016 -17.0016 -16.9464 -16.9464 -16.7949 -16.7949 -15.0969 -15.0969 -14.9239 -14.9239 -14.9230 -14.9230 -12.9706 -12.9706 -6.8972 -6.8972 -6.7902 -6.7902 -6.1576 -6.1576 -2.9174 -2.9174 -2.7605 -2.7605 -2.5448 -2.5448 -2.3518 -2.3518 -2.1005 -2.1005 -1.9096 -1.9096 -1.8812 -1.8812 -1.8152 -1.8152 -1.7768 -1.7768 -1.4044 -1.4044 -1.2384 -1.2384 -0.8985 -0.8985 -0.6534 -0.6534 -0.6097 -0.6097 -0.2184 -0.2184 -0.1847 -0.1847 0.3858 0.3858 1.9953 1.9953 2.2018 2.2018 2.2846 2.2846 2.3063 2.3063 2.4665 2.4665 2.7987 2.7987 5.1921 5.1921 5.6395 5.6395 5.7720 5.7720 5.9559 5.9559 6.1045 6.1045 6.1836 6.1836 6.2942 6.2942 6.3149 6.3149 7.0091 7.0091 7.8822 7.8822 k = 0.0667 0.5000-0.0000 ( 12774 PWs) bands (ev): -16.9999 -16.9999 -16.9461 -16.9461 -16.7953 -16.7953 -15.0972 -15.0972 -14.9267 -14.9267 -14.9229 -14.9229 -12.9707 -12.9707 -6.8859 -6.8859 -6.7926 -6.7926 -6.1570 -6.1570 -2.9193 -2.9193 -2.7600 -2.7600 -2.5466 -2.5466 -2.3481 -2.3481 -2.1038 -2.1038 -1.9171 -1.9171 -1.9016 -1.9016 -1.8201 -1.8201 -1.7729 -1.7729 -1.3976 -1.3976 -1.2389 -1.2389 -0.9312 -0.9312 -0.6144 -0.6144 -0.6062 -0.6062 -0.2096 -0.2096 -0.1902 -0.1902 0.3869 0.3869 2.0023 2.0023 2.1964 2.1964 2.2817 2.2817 2.3085 2.3085 2.4548 2.4548 2.7987 2.7987 5.2009 5.2009 5.6450 5.6450 5.7770 5.7770 5.9580 5.9580 6.1122 6.1122 6.1835 6.1835 6.2933 6.2933 6.3152 6.3152 7.0209 7.0209 7.8824 7.8824 k = 0.0833 0.5000-0.0000 ( 12772 PWs) bands (ev): -16.9978 -16.9978 -16.9457 -16.9457 -16.7958 -16.7958 -15.0976 -15.0976 -14.9301 -14.9301 -14.9229 -14.9229 -12.9710 -12.9710 -6.8715 -6.8715 -6.7956 -6.7956 -6.1563 -6.1563 -2.9216 -2.9216 -2.7595 -2.7595 -2.5490 -2.5490 -2.3435 -2.3435 -2.1094 -2.1094 -1.9435 -1.9435 -1.9048 -1.9048 -1.8274 -1.8274 -1.7702 -1.7702 -1.3891 -1.3891 -1.2396 -1.2396 -0.9619 -0.9619 -0.6055 -0.6055 -0.5724 -0.5724 -0.1993 -0.1993 -0.1962 -0.1962 0.3882 0.3882 2.0111 2.0111 2.1897 2.1897 2.2788 2.2788 2.3105 2.3105 2.4400 2.4400 2.7989 2.7989 5.2120 5.2120 5.6520 5.6520 5.7834 5.7834 5.9602 5.9602 6.1225 6.1225 6.1826 6.1826 6.2922 6.2922 6.3164 6.3164 7.0358 7.0358 7.8828 7.8828 k = 0.1000 0.5000-0.0000 ( 12776 PWs) bands (ev): -16.9953 -16.9953 -16.9453 -16.9453 -16.7963 -16.7963 -15.0981 -15.0981 -14.9343 -14.9343 -14.9228 -14.9228 -12.9712 -12.9712 -6.8540 -6.8540 -6.7993 -6.7993 -6.1554 -6.1554 -2.9244 -2.9244 -2.7590 -2.7590 -2.5522 -2.5522 -2.3384 -2.3384 -2.1189 -2.1189 -1.9729 -1.9729 -1.9047 -1.9047 -1.8371 -1.8371 -1.7683 -1.7683 -1.3789 -1.3789 -1.2403 -1.2403 -0.9902 -0.9902 -0.6022 -0.6022 -0.5338 -0.5338 -0.2063 -0.2063 -0.1840 -0.1840 0.3896 0.3896 2.0215 2.0215 2.1816 2.1816 2.2759 2.2759 2.3124 2.3124 2.4221 2.4221 2.7993 2.7993 5.2253 5.2253 5.6602 5.6602 5.7911 5.7911 5.9621 5.9621 6.1356 6.1356 6.1802 6.1802 6.2909 6.2909 6.3190 6.3190 7.0537 7.0537 7.8834 7.8834 k = 0.1167 0.5000-0.0000 ( 12776 PWs) bands (ev): -16.9923 -16.9923 -16.9447 -16.9447 -16.7971 -16.7971 -15.0986 -15.0986 -14.9391 -14.9391 -14.9228 -14.9228 -12.9715 -12.9715 -6.8337 -6.8337 -6.8034 -6.8034 -6.1544 -6.1544 -2.9274 -2.9274 -2.7586 -2.7586 -2.5562 -2.5562 -2.3334 -2.3334 -2.1348 -2.1348 -1.9991 -1.9991 -1.9042 -1.9042 -1.8491 -1.8491 -1.7667 -1.7667 -1.3671 -1.3671 -1.2409 -1.2409 -1.0162 -1.0162 -0.5983 -0.5983 -0.4968 -0.4968 -0.2164 -0.2164 -0.1673 -0.1673 0.3911 0.3911 2.0336 2.0336 2.1723 2.1723 2.2730 2.2730 2.3140 2.3140 2.4014 2.4014 2.7999 2.7999 5.2404 5.2404 5.6697 5.6697 5.8000 5.8000 5.9636 5.9636 6.1516 6.1516 6.1762 6.1762 6.2893 6.2893 6.3235 6.3235 7.0742 7.0742 7.8844 7.8844 k = 0.1333 0.5000-0.0000 ( 12776 PWs) bands (ev): -16.9889 -16.9889 -16.9441 -16.9441 -16.7979 -16.7979 -15.0993 -15.0993 -14.9445 -14.9445 -14.9227 -14.9227 -12.9719 -12.9719 -6.8121 -6.8121 -6.8065 -6.8065 -6.1533 -6.1533 -2.9308 -2.9308 -2.7583 -2.7583 -2.5614 -2.5614 -2.3299 -2.3299 -2.1583 -2.1583 -2.0187 -2.0187 -1.9038 -1.9038 -1.8629 -1.8629 -1.7652 -1.7652 -1.3539 -1.3539 -1.2415 -1.2415 -1.0397 -1.0397 -0.5940 -0.5940 -0.4621 -0.4621 -0.2281 -0.2281 -0.1479 -0.1479 0.3927 0.3927 2.0469 2.0469 2.1619 2.1619 2.2702 2.2702 2.3153 2.3153 2.3782 2.3782 2.8008 2.8008 5.2572 5.2572 5.6803 5.6803 5.8101 5.8101 5.9645 5.9645 6.1656 6.1656 6.1749 6.1749 6.2875 6.2875 6.3301 6.3301 7.0971 7.0971 7.8859 7.8859 k = 0.1500 0.5000-0.0000 ( 12780 PWs) bands (ev): -16.9851 -16.9851 -16.9434 -16.9434 -16.7989 -16.7989 -15.1000 -15.1000 -14.9504 -14.9504 -14.9226 -14.9226 -12.9722 -12.9722 -6.8137 -6.8137 -6.7842 -6.7842 -6.1520 -6.1520 -2.9343 -2.9343 -2.7581 -2.7581 -2.5676 -2.5676 -2.3310 -2.3310 -2.1865 -2.1865 -2.0312 -2.0312 -1.9045 -1.9045 -1.8773 -1.8773 -1.7636 -1.7636 -1.3394 -1.3394 -1.2419 -1.2419 -1.0608 -1.0608 -0.5891 -0.5891 -0.4303 -0.4303 -0.2411 -0.2411 -0.1258 -0.1258 0.3942 0.3942 2.0614 2.0614 2.1506 2.1506 2.2675 2.2675 2.3160 2.3160 2.3530 2.3530 2.8021 2.8021 5.2755 5.2755 5.6918 5.6918 5.8212 5.8212 5.9648 5.9648 6.1595 6.1595 6.1947 6.1948 6.2855 6.2855 6.3388 6.3388 7.1219 7.1219 7.8881 7.8881 k = 0.1667 0.5000-0.0000 ( 12760 PWs) bands (ev): -16.9810 -16.9810 -16.9427 -16.9427 -16.8000 -16.8000 -15.1007 -15.1007 -14.9568 -14.9568 -14.9225 -14.9225 -12.9726 -12.9726 -6.8191 -6.8191 -6.7559 -6.7559 -6.1506 -6.1506 -2.9381 -2.9381 -2.7583 -2.7583 -2.5751 -2.5751 -2.3426 -2.3425 -2.2111 -2.2111 -2.0382 -2.0382 -1.9096 -1.9096 -1.8886 -1.8886 -1.7618 -1.7618 -1.3236 -1.3236 -1.2418 -1.2418 -1.0797 -1.0797 -0.5838 -0.5838 -0.4016 -0.4016 -0.2556 -0.2556 -0.1011 -0.1011 0.3955 0.3955 2.0769 2.0769 2.1386 2.1386 2.2648 2.2648 2.3136 2.3136 2.3287 2.3287 2.8037 2.8037 5.2950 5.2950 5.7041 5.7041 5.8334 5.8334 5.9644 5.9644 6.1490 6.1490 6.2198 6.2198 6.2832 6.2832 6.3493 6.3493 7.1481 7.1481 7.8914 7.8914 k = 0.1833 0.5000-0.0000 ( 12766 PWs) bands (ev): -16.9765 -16.9765 -16.9419 -16.9419 -16.8012 -16.8012 -15.1015 -15.1015 -14.9636 -14.9636 -14.9225 -14.9225 -12.9730 -12.9730 -6.8249 -6.8249 -6.7253 -6.7253 -6.1492 -6.1492 -2.9419 -2.9419 -2.7587 -2.7587 -2.5843 -2.5843 -2.3704 -2.3704 -2.2237 -2.2237 -2.0419 -2.0419 -1.9228 -1.9228 -1.8925 -1.8925 -1.7600 -1.7600 -1.3069 -1.3069 -1.2411 -1.2411 -1.0964 -1.0964 -0.5779 -0.5779 -0.3760 -0.3760 -0.2714 -0.2714 -0.0742 -0.0742 0.3966 0.3966 2.0927 2.0927 2.1261 2.1261 2.2617 2.2617 2.2932 2.2932 2.3210 2.3210 2.8058 2.8058 5.3155 5.3155 5.7169 5.7169 5.8464 5.8464 5.9635 5.9635 6.1365 6.1365 6.2477 6.2477 6.2809 6.2809 6.3615 6.3615 7.1752 7.1752 7.8958 7.8958 k = 0.2000 0.5000-0.0000 ( 12754 PWs) bands (ev): -16.9716 -16.9716 -16.9411 -16.9411 -16.8026 -16.8026 -15.1024 -15.1024 -14.9707 -14.9707 -14.9224 -14.9224 -12.9735 -12.9735 -6.8309 -6.8309 -6.6926 -6.6926 -6.1476 -6.1476 -2.9458 -2.9458 -2.7596 -2.7596 -2.5956 -2.5956 -2.4121 -2.4121 -2.2244 -2.2244 -2.0436 -2.0436 -1.9401 -1.9401 -1.8927 -1.8927 -1.7582 -1.7582 -1.2895 -1.2895 -1.2395 -1.2395 -1.1112 -1.1112 -0.5716 -0.5716 -0.3537 -0.3537 -0.2884 -0.2884 -0.0453 -0.0453 0.3974 0.3974 2.1058 2.1058 2.1166 2.1166 2.2537 2.2537 2.2692 2.2692 2.3204 2.3204 2.8082 2.8082 5.3367 5.3367 5.7303 5.7303 5.8603 5.8603 5.9622 5.9622 6.1227 6.1227 6.2738 6.2738 6.2827 6.2827 6.3749 6.3749 7.2024 7.2024 7.9019 7.9019 k = 0.2167 0.5000-0.0000 ( 12756 PWs) bands (ev): -16.9665 -16.9665 -16.9403 -16.9403 -16.8042 -16.8042 -15.1032 -15.1032 -14.9781 -14.9781 -14.9223 -14.9223 -12.9739 -12.9739 -6.8372 -6.8372 -6.6581 -6.6581 -6.1461 -6.1461 -2.9498 -2.9498 -2.7611 -2.7611 -2.6103 -2.6103 -2.4599 -2.4599 -2.2184 -2.2184 -2.0441 -2.0441 -1.9580 -1.9580 -1.8917 -1.8917 -1.7566 -1.7566 -1.2718 -1.2718 -1.2365 -1.2365 -1.1241 -1.1241 -0.5649 -0.5649 -0.3343 -0.3343 -0.3066 -0.3066 -0.0151 -0.0151 0.3978 0.3978 2.0972 2.0972 2.1284 2.1284 2.2274 2.2274 2.2620 2.2620 2.3203 2.3203 2.8109 2.8109 5.3583 5.3583 5.7439 5.7439 5.8748 5.8748 5.9604 5.9604 6.1077 6.1077 6.2735 6.2735 6.3130 6.3130 6.3894 6.3894 7.2290 7.2290 7.9100 7.9100 k = 0.2333 0.5000-0.0000 ( 12768 PWs) bands (ev): -16.9611 -16.9611 -16.9394 -16.9394 -16.8059 -16.8059 -15.1041 -15.1041 -14.9856 -14.9856 -14.9222 -14.9222 -12.9744 -12.9744 -6.8435 -6.8435 -6.6220 -6.6220 -6.1444 -6.1444 -2.9537 -2.9537 -2.7635 -2.7635 -2.6310 -2.6310 -2.5067 -2.5067 -2.2091 -2.2091 -2.0444 -2.0444 -1.9753 -1.9753 -1.8905 -1.8905 -1.7552 -1.7552 -1.2555 -1.2555 -1.2304 -1.2304 -1.1352 -1.1352 -0.5579 -0.5579 -0.3261 -0.3261 -0.3174 -0.3174 0.0158 0.0158 0.3978 0.3978 2.0837 2.0837 2.1447 2.1447 2.1961 2.1961 2.2598 2.2598 2.3201 2.3201 2.8141 2.8141 5.3801 5.3801 5.7577 5.7577 5.8900 5.8900 5.9583 5.9583 6.0919 6.0919 6.2700 6.2700 6.3483 6.3483 6.4046 6.4046 7.2539 7.2539 7.9206 7.9206 k = 0.2500 0.5000-0.0000 ( 12740 PWs) bands (ev): -16.9555 -16.9555 -16.9385 -16.9385 -16.8079 -16.8079 -15.1050 -15.1050 -14.9933 -14.9933 -14.9221 -14.9221 -12.9749 -12.9749 -6.8499 -6.8499 -6.5846 -6.5846 -6.1428 -6.1428 -2.9576 -2.9576 -2.7677 -2.7677 -2.6610 -2.6610 -2.5457 -2.5457 -2.1985 -2.1985 -2.0453 -2.0453 -1.9906 -1.9906 -1.8890 -1.8890 -1.7544 -1.7544 -1.2434 -1.2434 -1.2188 -1.2188 -1.1443 -1.1443 -0.5504 -0.5504 -0.3463 -0.3463 -0.3032 -0.3032 0.0470 0.0470 0.3971 0.3971 2.0698 2.0698 2.1545 2.1545 2.1704 2.1704 2.2584 2.2584 2.3197 2.3197 2.8176 2.8176 5.4018 5.4018 5.7714 5.7714 5.9055 5.9055 5.9561 5.9561 6.0756 6.0756 6.2660 6.2660 6.3855 6.3855 6.4205 6.4205 7.2764 7.2764 7.9339 7.9339 k = 0.2667 0.5000-0.0000 ( 12770 PWs) bands (ev): -16.9496 -16.9496 -16.9376 -16.9376 -16.8100 -16.8100 -15.1059 -15.1059 -15.0009 -15.0009 -14.9220 -14.9220 -12.9754 -12.9754 -6.8563 -6.8563 -6.5464 -6.5464 -6.1412 -6.1412 -2.9615 -2.9615 -2.7766 -2.7766 -2.6992 -2.6992 -2.5736 -2.5736 -2.1874 -2.1874 -2.0485 -2.0485 -2.0020 -2.0020 -1.8875 -1.8875 -1.7541 -1.7541 -1.2352 -1.2352 -1.2026 -1.2026 -1.1510 -1.1510 -0.5427 -0.5427 -0.3675 -0.3675 -0.2910 -0.2910 0.0779 0.0779 0.3960 0.3960 2.0557 2.0557 2.1279 2.1279 2.1810 2.1810 2.2575 2.2575 2.3191 2.3191 2.8213 2.8213 5.4232 5.4232 5.7849 5.7849 5.9212 5.9212 5.9538 5.9538 6.0591 6.0591 6.2616 6.2616 6.4229 6.4229 6.4384 6.4384 7.2956 7.2956 7.9502 7.9502 k = 0.2833 0.5000-0.0000 ( 12760 PWs) bands (ev): -16.9436 -16.9436 -16.9368 -16.9368 -16.8123 -16.8123 -15.1068 -15.1068 -15.0085 -15.0085 -14.9219 -14.9219 -12.9758 -12.9758 -6.8626 -6.8626 -6.5075 -6.5075 -6.1396 -6.1396 -2.9652 -2.9652 -2.7996 -2.7996 -2.7324 -2.7324 -2.5929 -2.5929 -2.1764 -2.1764 -2.0557 -2.0557 -2.0076 -2.0076 -1.8861 -1.8861 -1.7545 -1.7545 -1.2281 -1.2281 -1.1874 -1.1874 -1.1526 -1.1526 -0.5348 -0.5348 -0.3895 -0.3895 -0.2807 -0.2807 0.1080 0.1080 0.3942 0.3942 2.0416 2.0416 2.0963 2.0963 2.1968 2.1968 2.2570 2.2570 2.3182 2.3182 2.8254 2.8254 5.4441 5.4441 5.7981 5.7981 5.9364 5.9364 5.9524 5.9524 6.0426 6.0426 6.2567 6.2567 6.4480 6.4480 6.4702 6.4702 7.3108 7.3108 7.9698 7.9698 k = 0.3000 0.5000-0.0000 ( 12770 PWs) bands (ev): -16.9374 -16.9374 -16.9359 -16.9359 -16.8148 -16.8148 -15.1077 -15.1077 -15.0159 -15.0159 -14.9218 -14.9218 -12.9763 -12.9763 -6.8687 -6.8687 -6.4685 -6.4685 -6.1380 -6.1380 -2.9688 -2.9688 -2.8435 -2.8435 -2.7488 -2.7488 -2.6075 -2.6075 -2.1660 -2.1660 -2.0663 -2.0663 -2.0078 -2.0078 -1.8847 -1.8847 -1.7557 -1.7557 -1.2206 -1.2206 -1.1810 -1.1810 -1.1430 -1.1430 -0.5267 -0.5267 -0.4122 -0.4122 -0.2720 -0.2720 0.1371 0.1371 0.3917 0.3917 2.0271 2.0271 2.0659 2.0659 2.2121 2.2121 2.2568 2.2568 2.3172 2.3172 2.8296 2.8296 5.4643 5.4643 5.8109 5.8109 5.9446 5.9446 5.9579 5.9579 6.0264 6.0264 6.2513 6.2513 6.4643 6.4643 6.5118 6.5118 7.3213 7.3213 7.9924 7.9924 k = 0.3167 0.5000-0.0000 ( 12762 PWs) bands (ev): -16.9351 -16.9351 -16.9311 -16.9311 -16.8176 -16.8176 -15.1085 -15.1085 -15.0231 -15.0231 -14.9217 -14.9217 -12.9767 -12.9767 -6.8745 -6.8745 -6.4297 -6.4297 -6.1365 -6.1365 -2.9724 -2.9724 -2.8974 -2.8974 -2.7564 -2.7564 -2.6194 -2.6194 -2.1564 -2.1564 -2.0783 -2.0783 -2.0047 -2.0047 -1.8834 -1.8834 -1.7578 -1.7578 -1.2126 -1.2126 -1.1820 -1.1820 -1.1241 -1.1241 -0.5185 -0.5185 -0.4354 -0.4354 -0.2648 -0.2648 0.1647 0.1647 0.3887 0.3887 2.0109 2.0109 2.0387 2.0387 2.2266 2.2266 2.2571 2.2571 2.3161 2.3161 2.8340 2.8340 5.4835 5.4835 5.8230 5.8230 5.9437 5.9437 5.9727 5.9727 6.0107 6.0107 6.2455 6.2455 6.4793 6.4793 6.5557 6.5557 7.3270 7.3270 8.0177 8.0177 k = 0.3333 0.5000-0.0000 ( 12754 PWs) bands (ev): -16.9343 -16.9343 -16.9248 -16.9248 -16.8205 -16.8205 -15.1093 -15.1093 -15.0300 -15.0300 -14.9216 -14.9216 -12.9771 -12.9771 -6.8801 -6.8801 -6.3916 -6.3916 -6.1351 -6.1351 -2.9765 -2.9765 -2.9524 -2.9524 -2.7614 -2.7614 -2.6296 -2.6296 -2.1479 -2.1479 -2.0901 -2.0901 -1.9994 -1.9994 -1.8822 -1.8822 -1.7607 -1.7607 -1.2044 -1.2044 -1.1844 -1.1844 -1.1020 -1.1020 -0.5106 -0.5106 -0.4588 -0.4588 -0.2589 -0.2589 0.1907 0.1907 0.3852 0.3852 1.9906 1.9906 2.0177 2.0177 2.2398 2.2398 2.2579 2.2579 2.3149 2.3149 2.8385 2.8385 5.5016 5.5016 5.8343 5.8343 5.9415 5.9415 5.9881 5.9881 5.9964 5.9964 6.2391 6.2391 6.4934 6.4934 6.6006 6.6006 7.3278 7.3278 8.0452 8.0452 k = 0.3500 0.5000-0.0000 ( 12748 PWs) bands (ev): -16.9336 -16.9336 -16.9183 -16.9183 -16.8237 -16.8237 -15.1101 -15.1101 -15.0364 -15.0364 -14.9215 -14.9215 -12.9775 -12.9775 -6.8853 -6.8853 -6.3547 -6.3547 -6.1339 -6.1339 -3.0098 -3.0098 -2.9770 -2.9770 -2.7656 -2.7656 -2.6385 -2.6385 -2.1408 -2.1408 -2.1010 -2.1010 -1.9928 -1.9928 -1.8814 -1.8814 -1.7644 -1.7644 -1.1976 -1.1976 -1.1850 -1.1850 -1.0788 -1.0788 -0.5040 -0.5040 -0.4812 -0.4812 -0.2542 -0.2542 0.2149 0.2149 0.3811 0.3811 1.9668 1.9668 2.0029 2.0029 2.2504 2.2504 2.2605 2.2605 2.3136 2.3136 2.8429 2.8429 5.5184 5.5184 5.8448 5.8448 5.9391 5.9391 5.9812 5.9812 6.0057 6.0057 6.2323 6.2323 6.5066 6.5066 6.6463 6.6463 7.3236 7.3236 8.0739 8.0739 k = 0.3667 0.5000-0.0000 ( 12728 PWs) bands (ev): -16.9329 -16.9329 -16.9119 -16.9119 -16.8272 -16.8272 -15.1108 -15.1108 -15.0424 -15.0424 -14.9214 -14.9214 -12.9779 -12.9779 -6.8901 -6.8901 -6.3196 -6.3196 -6.1328 -6.1328 -3.0615 -3.0615 -2.9804 -2.9804 -2.7694 -2.7694 -2.6461 -2.6461 -2.1355 -2.1355 -2.1102 -2.1102 -1.9852 -1.9852 -1.8808 -1.8808 -1.7687 -1.7687 -1.1960 -1.1960 -1.1798 -1.1798 -1.0552 -1.0552 -0.5113 -0.5113 -0.4897 -0.4897 -0.2506 -0.2506 0.2370 0.2370 0.3767 0.3767 1.9427 1.9427 1.9912 1.9912 2.2554 2.2554 2.2675 2.2675 2.3124 2.3124 2.8472 2.8472 5.5338 5.5338 5.8542 5.8542 5.9368 5.9368 5.9684 5.9684 6.0217 6.0217 6.2249 6.2249 6.5188 6.5188 6.6924 6.6924 7.3150 7.3150 8.1031 8.1031 k = 0.3833 0.5000-0.0000 ( 12720 PWs) bands (ev): -16.9323 -16.9323 -16.9055 -16.9055 -16.8308 -16.8308 -15.1115 -15.1115 -15.0479 -15.0479 -14.9214 -14.9214 -12.9782 -12.9782 -6.8945 -6.8945 -6.2867 -6.2867 -6.1319 -6.1319 -3.1100 -3.1100 -2.9829 -2.9829 -2.7730 -2.7730 -2.6527 -2.6527 -2.1335 -2.1335 -2.1159 -2.1159 -1.9770 -1.9770 -1.8806 -1.8806 -1.7735 -1.7735 -1.1975 -1.1975 -1.1712 -1.1712 -1.0317 -1.0317 -0.5333 -0.5333 -0.4838 -0.4838 -0.2480 -0.2480 0.2569 0.2569 0.3721 0.3721 1.9201 1.9201 1.9814 1.9814 2.2573 2.2573 2.2762 2.2762 2.3114 2.3114 2.8513 2.8513 5.5477 5.5477 5.8625 5.8625 5.9346 5.9346 5.9569 5.9569 6.0377 6.0377 6.2170 6.2170 6.5299 6.5299 6.7383 6.7383 7.3021 7.3021 8.1316 8.1316 k = 0.4000 0.5000-0.0000 ( 12720 PWs) bands (ev): -16.9317 -16.9317 -16.8991 -16.8991 -16.8348 -16.8348 -15.1120 -15.1120 -15.0528 -15.0528 -14.9213 -14.9213 -12.9785 -12.9785 -6.8983 -6.8983 -6.2565 -6.2565 -6.1312 -6.1312 -3.1540 -3.1540 -2.9851 -2.9851 -2.7764 -2.7764 -2.6583 -2.6583 -2.1363 -2.1363 -2.1166 -2.1166 -1.9684 -1.9684 -1.8808 -1.8808 -1.7786 -1.7786 -1.1993 -1.1993 -1.1622 -1.1622 -1.0087 -1.0087 -0.5561 -0.5561 -0.4768 -0.4768 -0.2462 -0.2462 0.2747 0.2747 0.3673 0.3673 1.8998 1.8998 1.9730 1.9730 2.2587 2.2587 2.2838 2.2838 2.3110 2.3110 2.8552 2.8552 5.5599 5.5599 5.8696 5.8696 5.9325 5.9325 5.9470 5.9470 6.0532 6.0532 6.2086 6.2086 6.5397 6.5397 6.7836 6.7836 7.2855 7.2855 8.1587 8.1587 k = 0.4167 0.5000-0.0000 ( 12704 PWs) bands (ev): -16.9312 -16.9312 -16.8928 -16.8928 -16.8389 -16.8389 -15.1125 -15.1125 -15.0570 -15.0570 -14.9212 -14.9212 -12.9788 -12.9788 -6.9017 -6.9017 -6.2296 -6.2296 -6.1308 -6.1308 -3.1927 -3.1927 -2.9870 -2.9870 -2.7795 -2.7795 -2.6629 -2.6629 -2.1413 -2.1413 -2.1147 -2.1147 -1.9598 -1.9598 -1.8816 -1.8816 -1.7836 -1.7836 -1.2010 -1.2010 -1.1536 -1.1536 -0.9867 -0.9867 -0.5781 -0.5781 -0.4702 -0.4702 -0.2450 -0.2450 0.2902 0.2902 0.3625 0.3625 1.8821 1.8821 1.9659 1.9659 2.2599 2.2599 2.2895 2.2895 2.3113 2.3113 2.8586 2.8586 5.5703 5.5703 5.8752 5.8752 5.9306 5.9306 5.9390 5.9390 6.0683 6.0683 6.1997 6.1997 6.5482 6.5482 6.8278 6.8278 7.2659 7.2659 8.1832 8.1832 k = 0.4333 0.5000-0.0000 ( 12702 PWs) bands (ev): -16.9308 -16.9308 -16.8866 -16.8866 -16.8433 -16.8433 -15.1129 -15.1129 -15.0605 -15.0605 -14.9212 -14.9212 -12.9790 -12.9790 -6.9044 -6.9044 -6.2064 -6.2064 -6.1309 -6.1309 -3.2254 -3.2254 -2.9886 -2.9886 -2.7823 -2.7823 -2.6666 -2.6666 -2.1462 -2.1462 -2.1126 -2.1126 -1.9513 -1.9513 -1.8829 -1.8829 -1.7883 -1.7883 -1.2024 -1.2024 -1.1460 -1.1460 -0.9664 -0.9664 -0.5985 -0.5985 -0.4644 -0.4644 -0.2444 -0.2444 0.3034 0.3034 0.3577 0.3577 1.8673 1.8673 1.9601 1.9601 2.2610 2.2610 2.2929 2.2929 2.3128 2.3128 2.8615 2.8615 5.5790 5.5790 5.8793 5.8793 5.9285 5.9285 5.9333 5.9333 6.0828 6.0828 6.1904 6.1904 6.5552 6.5552 6.8698 6.8698 7.2440 7.2440 8.2046 8.2046 k = 0.4500 0.5000-0.0000 ( 12686 PWs) bands (ev): -16.9305 -16.9305 -16.8806 -16.8806 -16.8480 -16.8480 -15.1133 -15.1133 -15.0632 -15.0632 -14.9212 -14.9212 -12.9792 -12.9792 -6.9066 -6.9066 -6.1873 -6.1873 -6.1314 -6.1314 -3.2514 -3.2514 -2.9898 -2.9898 -2.7846 -2.7846 -2.6694 -2.6694 -2.1502 -2.1502 -2.1107 -2.1107 -1.9435 -1.9435 -1.8847 -1.8847 -1.7923 -1.7923 -1.2035 -1.2035 -1.1396 -1.1396 -0.9486 -0.9486 -0.6163 -0.6163 -0.4595 -0.4595 -0.2442 -0.2442 0.3146 0.3146 0.3530 0.3530 1.8556 1.8556 1.9555 1.9555 2.2620 2.2620 2.2944 2.2944 2.3149 2.3149 2.8639 2.8639 5.5858 5.5858 5.8819 5.8819 5.9260 5.9260 5.9302 5.9302 6.0965 6.0965 6.1809 6.1809 6.5608 6.5608 6.9083 6.9083 7.2211 7.2211 8.2219 8.2219 k = 0.4667 0.5000-0.0000 ( 12686 PWs) bands (ev): -16.9303 -16.9303 -16.8747 -16.8747 -16.8529 -16.8529 -15.1135 -15.1135 -15.0653 -15.0653 -14.9211 -14.9211 -12.9793 -12.9793 -6.9082 -6.9082 -6.1727 -6.1727 -6.1324 -6.1324 -3.2704 -3.2704 -2.9906 -2.9906 -2.7863 -2.7863 -2.6714 -2.6714 -2.1532 -2.1532 -2.1094 -2.1094 -1.9370 -1.9370 -1.8868 -1.8868 -1.7955 -1.7955 -1.2043 -1.2043 -1.1349 -1.1349 -0.9345 -0.9345 -0.6305 -0.6305 -0.4558 -0.4558 -0.2441 -0.2441 0.3238 0.3238 0.3484 0.3484 1.8472 1.8472 1.9523 1.9523 2.2627 2.2627 2.2948 2.2948 2.3170 2.3170 2.8656 2.8656 5.5907 5.5907 5.8833 5.8833 5.9240 5.9240 5.9287 5.9287 6.1089 6.1089 6.1714 6.1714 6.5648 6.5648 6.9412 6.9412 7.1995 7.1995 8.2348 8.2348 k = 0.4833 0.5000-0.0000 ( 12678 PWs) bands (ev): -16.9301 -16.9301 -16.8690 -16.8690 -16.8580 -16.8580 -15.1137 -15.1137 -15.0665 -15.0665 -14.9211 -14.9211 -12.9794 -12.9794 -6.9091 -6.9091 -6.1631 -6.1631 -6.1337 -6.1337 -3.2820 -3.2820 -2.9912 -2.9912 -2.7873 -2.7873 -2.6725 -2.6725 -2.1549 -2.1549 -2.1086 -2.1086 -1.9324 -1.9324 -1.8885 -1.8885 -1.7974 -1.7974 -1.2048 -1.2048 -1.1320 -1.1320 -0.9253 -0.9253 -0.6398 -0.6398 -0.4536 -0.4536 -0.2442 -0.2442 0.3312 0.3312 0.3437 0.3437 1.8421 1.8421 1.9503 1.9503 2.2632 2.2632 2.2949 2.2949 2.3184 2.3184 2.8667 2.8667 5.5936 5.5936 5.8839 5.8839 5.9228 5.9228 5.9280 5.9280 6.1188 6.1188 6.1633 6.1633 6.5672 6.5672 6.9646 6.9646 7.1829 7.1829 8.2426 8.2426 k = 0.5000 0.5000-0.0000 ( 12656 PWs) bands (ev): -16.9301 -16.9301 -16.8640 -16.8640 -16.8628 -16.8628 -15.1137 -15.1137 -15.0669 -15.0669 -14.9211 -14.9211 -12.9794 -12.9794 -6.9095 -6.9095 -6.1596 -6.1596 -6.1344 -6.1344 -3.2858 -3.2858 -2.9913 -2.9913 -2.7877 -2.7877 -2.6729 -2.6729 -2.1555 -2.1555 -2.1083 -2.1083 -1.9307 -1.9307 -1.8892 -1.8892 -1.7981 -1.7981 -1.2049 -1.2049 -1.1310 -1.1310 -0.9221 -0.9221 -0.6430 -0.6430 -0.4528 -0.4528 -0.2442 -0.2442 0.3358 0.3358 0.3399 0.3399 1.8404 1.8404 1.9497 1.9497 2.2634 2.2634 2.2949 2.2949 2.3189 2.3189 2.8671 2.8671 5.5946 5.5946 5.8841 5.8841 5.9225 5.9225 5.9277 5.9277 6.1231 6.1231 6.1596 6.1596 6.5681 6.5681 6.9734 6.9734 7.1764 7.1764 8.2453 8.2453 k = 0.5000 0.5000-0.0000 ( 12656 PWs) bands (ev): -16.9301 -16.9301 -16.8640 -16.8640 -16.8628 -16.8628 -15.1137 -15.1137 -15.0669 -15.0669 -14.9211 -14.9211 -12.9794 -12.9794 -6.9095 -6.9095 -6.1596 -6.1596 -6.1344 -6.1344 -3.2858 -3.2858 -2.9913 -2.9913 -2.7877 -2.7877 -2.6729 -2.6729 -2.1555 -2.1555 -2.1083 -2.1083 -1.9307 -1.9307 -1.8892 -1.8892 -1.7981 -1.7981 -1.2049 -1.2049 -1.1310 -1.1310 -0.9221 -0.9221 -0.6430 -0.6430 -0.4528 -0.4528 -0.2442 -0.2442 0.3358 0.3358 0.3399 0.3399 1.8404 1.8404 1.9497 1.9497 2.2634 2.2634 2.2949 2.2949 2.3189 2.3189 2.8671 2.8671 5.5946 5.5946 5.8841 5.8841 5.9225 5.9225 5.9277 5.9277 6.1231 6.1231 6.1596 6.1596 6.5681 6.5681 6.9734 6.9734 7.1764 7.1764 8.2453 8.2453 k = 0.4881 0.4881-0.0000 ( 12676 PWs) bands (ev): -16.9303 -16.9303 -16.8673 -16.8673 -16.8594 -16.8594 -15.1134 -15.1134 -15.0667 -15.0667 -14.9211 -14.9211 -12.9793 -12.9793 -6.9093 -6.9093 -6.1614 -6.1614 -6.1352 -6.1352 -3.2836 -3.2836 -2.9894 -2.9894 -2.7873 -2.7873 -2.6726 -2.6726 -2.1554 -2.1554 -2.1083 -2.1083 -1.9323 -1.9323 -1.8884 -1.8884 -1.7978 -1.7978 -1.2054 -1.2054 -1.1313 -1.1313 -0.9235 -0.9235 -0.6404 -0.6404 -0.4533 -0.4533 -0.2451 -0.2451 0.3313 0.3313 0.3424 0.3424 1.8430 1.8430 1.9506 1.9506 2.2630 2.2630 2.2950 2.2950 2.3189 2.3189 2.8662 2.8662 5.5938 5.5938 5.8839 5.8839 5.9213 5.9213 5.9287 5.9287 6.1208 6.1208 6.1618 6.1618 6.5671 6.5671 6.9689 6.9689 7.1781 7.1781 8.2431 8.2431 k = 0.4762 0.4762-0.0000 ( 12680 PWs) bands (ev): -16.9310 -16.9310 -16.8712 -16.8712 -16.8557 -16.8557 -15.1126 -15.1126 -15.0661 -15.0661 -14.9211 -14.9211 -12.9793 -12.9793 -6.9088 -6.9088 -6.1668 -6.1668 -6.1375 -6.1375 -3.2768 -3.2768 -2.9837 -2.9837 -2.7861 -2.7861 -2.6716 -2.6716 -2.1550 -2.1550 -2.1082 -2.1082 -1.9364 -1.9364 -1.8863 -1.8863 -1.7969 -1.7969 -1.2069 -1.2069 -1.1322 -1.1322 -0.9277 -0.9277 -0.6328 -0.6328 -0.4550 -0.4550 -0.2479 -0.2479 0.3234 0.3234 0.3444 0.3444 1.8507 1.8507 1.9534 1.9534 2.2616 2.2616 2.2952 2.2952 2.3187 2.3187 2.8635 2.8635 5.5913 5.5913 5.8832 5.8832 5.9189 5.9189 5.9308 5.9308 6.1150 6.1150 6.1673 6.1673 6.5643 6.5643 6.9563 6.9563 7.1826 7.1826 8.2367 8.2367 k = 0.4643 0.4643-0.0000 ( 12696 PWs) bands (ev): -16.9323 -16.9323 -16.8748 -16.8748 -16.8521 -16.8521 -15.1113 -15.1113 -15.0652 -15.0652 -14.9211 -14.9211 -12.9791 -12.9791 -6.9081 -6.9081 -6.1754 -6.1754 -6.1416 -6.1416 -3.2657 -3.2657 -2.9743 -2.9743 -2.7842 -2.7842 -2.6700 -2.6700 -2.1543 -2.1543 -2.1080 -2.1080 -1.9425 -1.9425 -1.8836 -1.8836 -1.7954 -1.7954 -1.2094 -1.2094 -1.1339 -1.1339 -0.9340 -0.9340 -0.6210 -0.6210 -0.4576 -0.4576 -0.2525 -0.2525 0.3137 0.3137 0.3447 0.3447 1.8632 1.8632 1.9581 1.9581 2.2595 2.2595 2.2953 2.2953 2.3185 2.3185 2.8590 2.8590 5.5870 5.5870 5.8821 5.8821 5.9159 5.9159 5.9334 5.9334 6.1072 6.1072 6.1744 6.1744 6.5594 6.5594 6.9371 6.9371 7.1886 7.1886 8.2261 8.2261 k = 0.4524 0.4524-0.0000 ( 12710 PWs) bands (ev): -16.9342 -16.9342 -16.8782 -16.8782 -16.8486 -16.8486 -15.1094 -15.1094 -15.0639 -15.0639 -14.9211 -14.9211 -12.9789 -12.9789 -6.9070 -6.9070 -6.1869 -6.1869 -6.1477 -6.1477 -3.2503 -3.2503 -2.9612 -2.9612 -2.7816 -2.7816 -2.6679 -2.6679 -2.1534 -2.1534 -2.1076 -2.1076 -1.9499 -1.9499 -1.8808 -1.8808 -1.7933 -1.7933 -1.2128 -1.2128 -1.1364 -1.1364 -0.9414 -0.9414 -0.6059 -0.6059 -0.4611 -0.4611 -0.2588 -0.2588 0.3024 0.3024 0.3436 0.3436 1.8799 1.8799 1.9647 1.9647 2.2566 2.2566 2.2949 2.2949 2.3187 2.3187 2.8527 2.8527 5.5809 5.5809 5.8803 5.8803 5.9125 5.9125 5.9366 5.9366 6.0985 6.0985 6.1824 6.1824 6.5525 6.5525 6.9131 6.9131 7.1944 7.1944 8.2113 8.2113 k = 0.4405 0.4405-0.0000 ( 12706 PWs) bands (ev): -16.9368 -16.9368 -16.8811 -16.8811 -16.8454 -16.8454 -15.1070 -15.1070 -15.0622 -15.0622 -14.9212 -14.9212 -12.9787 -12.9787 -6.9056 -6.9056 -6.2011 -6.2011 -6.1556 -6.1556 -3.2308 -3.2308 -2.9447 -2.9447 -2.7781 -2.7781 -2.6651 -2.6651 -2.1523 -2.1523 -2.1071 -2.1071 -1.9581 -1.9581 -1.8784 -1.8784 -1.7909 -1.7909 -1.2172 -1.2172 -1.1399 -1.1399 -0.9492 -0.9492 -0.5886 -0.5886 -0.4655 -0.4655 -0.2665 -0.2665 0.2896 0.2896 0.3417 0.3417 1.9002 1.9002 1.9733 1.9733 2.2531 2.2531 2.2939 2.2939 2.3194 2.3194 2.8447 2.8447 5.5727 5.5727 5.8778 5.8778 5.9087 5.9087 5.9406 5.9406 6.0890 6.0890 6.1909 6.1909 6.5432 6.5432 6.8860 6.8860 7.1990 7.1990 8.1926 8.1926 k = 0.4286 0.4286-0.0000 ( 12742 PWs) bands (ev): -16.9402 -16.9402 -16.8834 -16.8834 -16.8425 -16.8425 -15.1041 -15.1041 -15.0602 -15.0602 -14.9212 -14.9212 -12.9784 -12.9784 -6.9040 -6.9040 -6.2177 -6.2177 -6.1654 -6.1654 -3.2074 -3.2074 -2.9248 -2.9248 -2.7739 -2.7739 -2.6618 -2.6618 -2.1512 -2.1512 -2.1064 -2.1064 -1.9668 -1.9668 -1.8764 -1.8764 -1.7881 -1.7881 -1.2227 -1.2227 -1.1446 -1.1446 -0.9567 -0.9567 -0.5703 -0.5703 -0.4708 -0.4708 -0.2746 -0.2746 0.2752 0.2752 0.3397 0.3397 1.9229 1.9229 1.9840 1.9840 2.2489 2.2489 2.2921 2.2921 2.3207 2.3207 2.8350 2.8350 5.5623 5.5623 5.8747 5.8747 5.9044 5.9044 5.9457 5.9457 6.0790 6.0790 6.1996 6.1996 6.5313 6.5313 6.8570 6.8570 7.2014 7.2014 8.1700 8.1700 k = 0.4167 0.4167-0.0000 ( 12744 PWs) bands (ev): -16.9443 -16.9443 -16.8852 -16.8852 -16.8397 -16.8397 -15.1007 -15.1007 -15.0579 -15.0579 -14.9212 -14.9212 -12.9781 -12.9781 -6.9022 -6.9022 -6.2365 -6.2365 -6.1769 -6.1769 -3.1805 -3.1805 -2.9018 -2.9018 -2.7689 -2.7689 -2.6579 -2.6579 -2.1499 -2.1499 -2.1054 -2.1054 -1.9757 -1.9757 -1.8749 -1.8749 -1.7851 -1.7851 -1.2293 -1.2293 -1.1504 -1.1504 -0.9634 -0.9634 -0.5525 -0.5525 -0.4769 -0.4769 -0.2819 -0.2819 0.2590 0.2590 0.3384 0.3384 1.9467 1.9467 1.9975 1.9975 2.2439 2.2439 2.2898 2.2898 2.3226 2.3226 2.8236 2.8236 5.5495 5.5495 5.8711 5.8711 5.8996 5.8996 5.9519 5.9519 6.0686 6.0686 6.2086 6.2086 6.5166 6.5166 6.8275 6.8275 7.2011 7.2011 8.1439 8.1439 k = 0.4048 0.4048-0.0000 ( 12766 PWs) bands (ev): -16.9493 -16.9493 -16.8863 -16.8863 -16.8373 -16.8373 -15.0969 -15.0969 -15.0552 -15.0552 -14.9212 -14.9212 -12.9777 -12.9777 -6.9001 -6.9001 -6.2572 -6.2572 -6.1899 -6.1899 -3.1504 -3.1504 -2.8760 -2.8760 -2.7631 -2.7631 -2.6536 -2.6536 -2.1488 -2.1488 -2.1040 -2.1040 -1.9847 -1.9847 -1.8739 -1.8739 -1.7821 -1.7821 -1.2372 -1.2372 -1.1573 -1.1573 -0.9691 -0.9691 -0.5379 -0.5379 -0.4830 -0.4830 -0.2866 -0.2866 0.2410 0.2410 0.3383 0.3383 1.9700 1.9700 2.0146 2.0146 2.2382 2.2382 2.2870 2.2870 2.3248 2.3248 2.8106 2.8106 5.5340 5.5340 5.8669 5.8669 5.8943 5.8943 5.9593 5.9593 6.0577 6.0577 6.2178 6.2178 6.4986 6.4986 6.7984 6.7984 7.1978 7.1978 8.1143 8.1143 k = 0.3929 0.3929-0.0000 ( 12758 PWs) bands (ev): -16.9550 -16.9550 -16.8868 -16.8868 -16.8351 -16.8351 -15.0926 -15.0926 -15.0521 -15.0521 -14.9212 -14.9212 -12.9774 -12.9774 -6.8979 -6.8979 -6.2797 -6.2797 -6.2044 -6.2044 -3.1174 -3.1174 -2.8476 -2.8476 -2.7563 -2.7563 -2.6488 -2.6488 -2.1480 -2.1480 -2.1023 -2.1023 -1.9934 -1.9934 -1.8733 -1.8733 -1.7792 -1.7792 -1.2464 -1.2464 -1.1652 -1.1652 -0.9735 -0.9735 -0.5323 -0.5323 -0.4848 -0.4848 -0.2865 -0.2865 0.2209 0.2209 0.3399 0.3399 1.9910 1.9910 2.0361 2.0361 2.2315 2.2315 2.2842 2.2842 2.3274 2.3274 2.7961 2.7961 5.5158 5.5158 5.8623 5.8623 5.8888 5.8888 5.9680 5.9680 6.0465 6.0465 6.2273 6.2273 6.4774 6.4774 6.7706 6.7706 7.1912 7.1912 8.0816 8.0816 k = 0.3810 0.3810-0.0000 ( 12770 PWs) bands (ev): -16.9614 -16.9614 -16.8869 -16.8869 -16.8332 -16.8332 -15.0879 -15.0879 -15.0488 -15.0488 -14.9213 -14.9213 -12.9771 -12.9771 -6.8955 -6.8955 -6.3037 -6.3037 -6.2200 -6.2200 -3.0819 -3.0819 -2.8172 -2.8172 -2.7484 -2.7484 -2.6435 -2.6435 -2.1475 -2.1475 -2.1002 -2.1002 -2.0017 -2.0017 -1.8730 -1.8730 -1.7764 -1.7764 -1.2571 -1.2571 -1.1738 -1.1738 -0.9768 -0.9768 -0.5410 -0.5410 -0.4779 -0.4779 -0.2804 -0.2804 0.1989 0.1989 0.3433 0.3433 2.0095 2.0095 2.0615 2.0615 2.2240 2.2240 2.2813 2.2813 2.3302 2.3302 2.7800 2.7800 5.4946 5.4946 5.8571 5.8571 5.8831 5.8831 5.9778 5.9778 6.0349 6.0349 6.2369 6.2369 6.4528 6.4528 6.7449 6.7449 7.1812 7.1812 8.0460 8.0460 k = 0.3690 0.3690-0.0000 ( 12776 PWs) bands (ev): -16.9683 -16.9683 -16.8865 -16.8865 -16.8315 -16.8315 -15.0829 -15.0829 -15.0451 -15.0451 -14.9213 -14.9213 -12.9768 -12.9768 -6.8931 -6.8931 -6.3290 -6.3290 -6.2366 -6.2366 -3.0444 -3.0444 -2.7857 -2.7857 -2.7386 -2.7386 -2.6376 -2.6376 -2.1475 -2.1475 -2.0978 -2.0978 -2.0091 -2.0091 -1.8731 -1.8731 -1.7739 -1.7739 -1.2693 -1.2693 -1.1830 -1.1830 -0.9791 -0.9791 -0.5598 -0.5598 -0.4661 -0.4661 -0.2676 -0.2676 0.1748 0.1748 0.3485 0.3485 2.0265 2.0265 2.0890 2.0890 2.2155 2.2155 2.2786 2.2786 2.3331 2.3331 2.7626 2.7626 5.4704 5.4704 5.8511 5.8511 5.8777 5.8777 5.9887 5.9887 6.0230 6.0230 6.2467 6.2467 6.4253 6.4253 6.7216 6.7216 7.1678 7.1678 8.0077 8.0077 k = 0.3571 0.3571-0.0000 ( 12774 PWs) bands (ev): -16.9756 -16.9756 -16.8857 -16.8857 -16.8301 -16.8301 -15.0775 -15.0775 -15.0411 -15.0411 -14.9213 -14.9213 -12.9766 -12.9766 -6.8906 -6.8906 -6.3554 -6.3554 -6.2539 -6.2539 -3.0053 -3.0053 -2.7558 -2.7558 -2.7248 -2.7248 -2.6312 -2.6312 -2.1483 -2.1483 -2.0951 -2.0951 -2.0152 -2.0152 -1.8735 -1.8735 -1.7718 -1.7718 -1.2830 -1.2830 -1.1927 -1.1927 -0.9805 -0.9805 -0.5839 -0.5839 -0.4530 -0.4530 -0.2489 -0.2489 0.1491 0.1491 0.3554 0.3554 2.0427 2.0427 2.1170 2.1170 2.2061 2.2061 2.2762 2.2762 2.3361 2.3361 2.7438 2.7438 5.4431 5.4431 5.8441 5.8441 5.8727 5.8727 5.9995 5.9995 6.0118 6.0118 6.2567 6.2567 6.3956 6.3956 6.7007 6.7007 7.1510 7.1510 7.9670 7.9670 k = 0.3452 0.3452-0.0000 ( 12804 PWs) bands (ev): -16.9833 -16.9833 -16.8846 -16.8846 -16.8289 -16.8289 -15.0718 -15.0718 -15.0369 -15.0369 -14.9214 -14.9214 -12.9763 -12.9763 -6.8881 -6.8881 -6.3826 -6.3826 -6.2717 -6.2717 -2.9653 -2.9653 -2.7339 -2.7339 -2.7010 -2.7010 -2.6238 -2.6238 -2.1501 -2.1501 -2.0924 -2.0924 -2.0197 -2.0197 -1.8741 -1.8741 -1.7702 -1.7702 -1.2981 -1.2981 -1.2032 -1.2032 -0.9813 -0.9813 -0.6107 -0.6107 -0.4392 -0.4392 -0.2252 -0.2252 0.1218 0.1218 0.3637 0.3637 2.0585 2.0585 2.1445 2.1445 2.1959 2.1959 2.2739 2.2739 2.3392 2.3392 2.7239 2.7239 5.4127 5.4127 5.8360 5.8360 5.8679 5.8679 5.9962 5.9962 6.0153 6.0153 6.2667 6.2667 6.3646 6.3646 6.6821 6.6821 7.1310 7.1310 7.9242 7.9242 k = 0.3333 0.3333-0.0000 ( 12818 PWs) bands (ev): -16.9912 -16.9912 -16.8832 -16.8832 -16.8279 -16.8279 -15.0658 -15.0658 -15.0324 -15.0324 -14.9214 -14.9214 -12.9762 -12.9762 -6.8857 -6.8857 -6.4105 -6.4105 -6.2898 -6.2898 -2.9250 -2.9250 -2.7188 -2.7188 -2.6696 -2.6696 -2.6142 -2.6142 -2.1529 -2.1529 -2.0896 -2.0896 -2.0220 -2.0220 -1.8748 -1.8748 -1.7690 -1.7690 -1.3143 -1.3143 -1.2145 -1.2145 -0.9815 -0.9815 -0.6384 -0.6384 -0.4246 -0.4246 -0.1978 -0.1978 0.0932 0.0932 0.3732 0.3732 2.0740 2.0740 2.1704 2.1704 2.1854 2.1854 2.2719 2.2719 2.3423 2.3423 2.7029 2.7029 5.3791 5.3791 5.8269 5.8269 5.8632 5.8632 5.9837 5.9837 6.0286 6.0286 6.2768 6.2768 6.3337 6.3337 6.6655 6.6655 7.1077 7.1077 7.8796 7.8796 k = 0.3214 0.3214-0.0000 ( 12800 PWs) bands (ev): -16.9994 -16.9994 -16.8816 -16.8816 -16.8272 -16.8272 -15.0596 -15.0596 -15.0277 -15.0277 -14.9215 -14.9215 -12.9761 -12.9761 -6.8834 -6.8834 -6.4389 -6.4389 -6.3080 -6.3080 -2.8853 -2.8853 -2.7049 -2.7049 -2.6401 -2.6401 -2.5986 -2.5986 -2.1569 -2.1569 -2.0868 -2.0868 -2.0219 -2.0219 -1.8756 -1.8756 -1.7684 -1.7684 -1.3315 -1.3315 -1.2272 -1.2272 -0.9815 -0.9815 -0.6654 -0.6654 -0.4092 -0.4092 -0.1675 -0.1675 0.0637 0.0637 0.3838 0.3838 2.0891 2.0891 2.1726 2.1726 2.1961 2.1961 2.2701 2.2701 2.3454 2.3454 2.6809 2.6809 5.3424 5.3424 5.8171 5.8171 5.8581 5.8581 5.9704 5.9704 6.0431 6.0431 6.2856 6.2856 6.3052 6.3052 6.6504 6.6504 7.0815 7.0815 7.8334 7.8334 k = 0.3095 0.3095-0.0000 ( 12792 PWs) bands (ev): -17.0077 -17.0077 -16.8798 -16.8798 -16.8266 -16.8266 -15.0532 -15.0532 -15.0228 -15.0228 -14.9215 -14.9215 -12.9762 -12.9762 -6.8814 -6.8814 -6.4675 -6.4675 -6.3261 -6.3261 -2.8473 -2.8473 -2.6899 -2.6899 -2.6205 -2.6205 -2.5711 -2.5711 -2.1620 -2.1620 -2.0839 -2.0839 -2.0195 -2.0195 -1.8765 -1.8765 -1.7684 -1.7684 -1.3494 -1.3494 -1.2414 -1.2414 -0.9813 -0.9813 -0.6905 -0.6905 -0.3929 -0.3929 -0.1350 -0.1350 0.0337 0.0337 0.3952 0.3952 2.1035 2.1035 2.1606 2.1606 2.2184 2.2184 2.2684 2.2684 2.3485 2.3485 2.6582 2.6582 5.3025 5.3025 5.8068 5.8068 5.8522 5.8522 5.9568 5.9568 6.0582 6.0582 6.2733 6.2733 6.3002 6.3002 6.6366 6.6366 7.0525 7.0525 7.7858 7.7858 k = 0.2976 0.2976-0.0000 ( 12784 PWs) bands (ev): -17.0162 -17.0162 -16.8779 -16.8779 -16.8263 -16.8263 -15.0466 -15.0466 -15.0177 -15.0177 -14.9215 -14.9215 -12.9763 -12.9763 -6.8795 -6.8795 -6.4962 -6.4962 -6.3439 -6.3439 -2.8122 -2.8122 -2.6731 -2.6731 -2.6075 -2.6075 -2.5352 -2.5352 -2.1680 -2.1680 -2.0806 -2.0806 -2.0149 -2.0149 -1.8774 -1.8774 -1.7689 -1.7689 -1.3677 -1.3677 -1.2575 -1.2575 -0.9811 -0.9811 -0.7126 -0.7126 -0.3760 -0.3760 -0.1011 -0.1011 0.0037 0.0037 0.4073 0.4073 2.1169 2.1169 2.1481 2.1481 2.2381 2.2381 2.2673 2.2673 2.3516 2.3516 2.6348 2.6348 5.2595 5.2595 5.7961 5.7961 5.8450 5.8450 5.9429 5.9429 6.0738 6.0738 6.2497 6.2497 6.3100 6.3100 6.6238 6.6238 7.0209 7.0209 7.7373 7.7373 k = 0.2857 0.2857-0.0000 ( 12782 PWs) bands (ev): -17.0246 -17.0246 -16.8759 -16.8759 -16.8261 -16.8261 -15.0398 -15.0398 -15.0125 -15.0125 -14.9216 -14.9216 -12.9765 -12.9765 -6.8781 -6.8781 -6.5248 -6.5248 -6.3611 -6.3611 -2.7814 -2.7814 -2.6547 -2.6547 -2.5952 -2.5952 -2.4964 -2.4964 -2.1746 -2.1746 -2.0766 -2.0766 -2.0086 -2.0086 -1.8783 -1.8783 -1.7701 -1.7701 -1.3863 -1.3863 -1.2758 -1.2758 -0.9808 -0.9808 -0.7311 -0.7311 -0.3588 -0.3588 -0.0666 -0.0666 -0.0251 -0.0251 0.4200 0.4200 2.1273 2.1273 2.1370 2.1370 2.2526 2.2526 2.2689 2.2689 2.3548 2.3548 2.6111 2.6111 5.2136 5.2136 5.7852 5.7852 5.8364 5.8364 5.9289 5.9289 6.0895 6.0895 6.2297 6.2297 6.3204 6.3204 6.6118 6.6118 6.9870 6.9870 7.6880 7.6880 k = 0.2738 0.2738-0.0000 ( 12782 PWs) bands (ev): -17.0331 -17.0331 -16.8737 -16.8737 -16.8261 -16.8261 -15.0329 -15.0329 -15.0071 -15.0071 -14.9216 -14.9216 -12.9769 -12.9769 -6.8770 -6.8770 -6.5532 -6.5532 -6.3776 -6.3776 -2.7556 -2.7556 -2.6364 -2.6364 -2.5802 -2.5802 -2.4571 -2.4571 -2.1811 -2.1811 -2.0717 -2.0717 -2.0008 -2.0008 -1.8791 -1.8791 -1.7718 -1.7718 -1.4048 -1.4048 -1.2963 -1.2963 -0.9804 -0.9804 -0.7455 -0.7455 -0.3422 -0.3422 -0.0572 -0.0572 -0.0262 -0.0262 0.4332 0.4332 2.1198 2.1198 2.1420 2.1420 2.2561 2.2561 2.2788 2.2788 2.3579 2.3579 2.5873 2.5873 5.1648 5.1648 5.7743 5.7743 5.8262 5.8262 5.9148 5.9148 6.1049 6.1049 6.2146 6.2146 6.3311 6.3311 6.6004 6.6004 6.9511 6.9511 7.6383 7.6383 k = 0.2619 0.2619-0.0000 ( 12788 PWs) bands (ev): -17.0415 -17.0415 -16.8715 -16.8715 -16.8262 -16.8262 -15.0260 -15.0260 -15.0017 -15.0017 -14.9217 -14.9217 -12.9773 -12.9773 -6.8763 -6.8763 -6.5812 -6.5812 -6.3934 -6.3934 -2.7343 -2.7343 -2.6207 -2.6207 -2.5602 -2.5602 -2.4182 -2.4182 -2.1870 -2.1870 -2.0657 -2.0657 -1.9919 -1.9919 -1.8798 -1.8798 -1.7740 -1.7740 -1.4232 -1.4232 -1.3190 -1.3190 -0.9798 -0.9798 -0.7556 -0.7556 -0.3275 -0.3275 -0.0809 -0.0809 0.0097 0.0097 0.4468 0.4468 2.1065 2.1065 2.1508 2.1508 2.2539 2.2539 2.2916 2.2916 2.3610 2.3610 2.5637 2.5637 5.1134 5.1134 5.7634 5.7634 5.8146 5.8146 5.9006 5.9006 6.1194 6.1194 6.2051 6.2051 6.3417 6.3417 6.5895 6.5895 6.9135 6.9135 7.5882 7.5882 k = 0.2500 0.2500-0.0000 ( 12795 PWs) bands (ev): -17.0499 -17.0499 -16.8693 -16.8693 -16.8264 -16.8264 -15.0190 -15.0190 -14.9962 -14.9962 -14.9217 -14.9217 -12.9779 -12.9779 -6.8761 -6.8761 -6.6088 -6.6088 -6.4081 -6.4081 -2.7168 -2.7168 -2.6089 -2.6089 -2.5357 -2.5357 -2.3806 -2.3806 -2.1913 -2.1913 -2.0584 -2.0584 -1.9821 -1.9821 -1.8803 -1.8803 -1.7767 -1.7767 -1.4412 -1.4412 -1.3435 -1.3435 -0.9789 -0.9789 -0.7618 -0.7618 -0.3172 -0.3172 -0.1006 -0.1006 0.0474 0.0474 0.4607 0.4607 2.0927 2.0927 2.1575 2.1575 2.2499 2.2499 2.3035 2.3035 2.3641 2.3641 2.5407 2.5407 5.0596 5.0596 5.7526 5.7526 5.8020 5.8020 5.8864 5.8864 6.1322 6.1322 6.2019 6.2019 6.3523 6.3523 6.5790 6.5790 6.8745 6.8745 7.5383 7.5383 k = 0.2381 0.2381-0.0000 ( 12785 PWs) bands (ev): -17.0581 -17.0581 -16.8670 -16.8670 -16.8268 -16.8268 -15.0120 -15.0120 -14.9907 -14.9907 -14.9218 -14.9218 -12.9786 -12.9786 -6.8765 -6.8765 -6.6357 -6.6357 -6.4218 -6.4218 -2.7021 -2.7021 -2.5998 -2.5998 -2.5097 -2.5097 -2.3451 -2.3451 -2.1930 -2.1930 -2.0499 -2.0499 -1.9716 -1.9716 -1.8805 -1.8805 -1.7799 -1.7799 -1.4588 -1.4588 -1.3694 -1.3694 -0.9774 -0.9774 -0.7644 -0.7644 -0.3139 -0.3139 -0.1123 -0.1123 0.0859 0.0859 0.4750 0.4750 2.0788 2.0788 2.1616 2.1616 2.2443 2.2443 2.3141 2.3141 2.3671 2.3671 2.5186 2.5186 5.0038 5.0038 5.7421 5.7421 5.7890 5.7890 5.8723 5.8723 6.1423 6.1423 6.2051 6.2051 6.3628 6.3628 6.5689 6.5689 6.8344 6.8344 7.4886 7.4886 k = 0.2262 0.2262-0.0000 ( 12777 PWs) bands (ev): -17.0662 -17.0662 -16.8647 -16.8647 -16.8272 -16.8272 -15.0050 -15.0050 -14.9852 -14.9852 -14.9218 -14.9218 -12.9794 -12.9794 -6.8774 -6.8774 -6.6619 -6.6619 -6.4343 -6.4343 -2.6893 -2.6893 -2.5924 -2.5924 -2.4853 -2.4853 -2.3125 -2.3125 -2.1907 -2.1907 -2.0400 -2.0400 -1.9604 -1.9604 -1.8805 -1.8805 -1.7833 -1.7833 -1.4756 -1.4756 -1.3961 -1.3961 -0.9754 -0.9754 -0.7640 -0.7640 -0.3200 -0.3200 -0.1137 -0.1137 0.1250 0.1250 0.4897 0.4897 2.0649 2.0649 2.1626 2.1626 2.2372 2.2372 2.3236 2.3236 2.3700 2.3700 2.4979 2.4979 4.9463 4.9463 5.7320 5.7320 5.7761 5.7761 5.8584 5.8584 6.1498 6.1498 6.2139 6.2139 6.3732 6.3732 6.5592 6.5592 6.7936 6.7936 7.4394 7.4394 k = 0.2143 0.2143-0.0000 ( 12781 PWs) bands (ev): -17.0740 -17.0740 -16.8624 -16.8624 -16.8277 -16.8277 -14.9981 -14.9981 -14.9798 -14.9798 -14.9218 -14.9218 -12.9803 -12.9803 -6.8789 -6.8789 -6.6873 -6.6873 -6.4456 -6.4456 -2.6778 -2.6778 -2.5859 -2.5859 -2.4650 -2.4650 -2.2837 -2.2837 -2.1832 -2.1832 -2.0286 -2.0286 -1.9488 -1.9488 -1.8800 -1.8800 -1.7868 -1.7868 -1.4916 -1.4916 -1.4232 -1.4232 -0.9727 -0.9727 -0.7611 -0.7611 -0.3351 -0.3351 -0.1051 -0.1051 0.1645 0.1645 0.5047 0.5047 2.0512 2.0512 2.1602 2.1602 2.2283 2.2283 2.3320 2.3320 2.3729 2.3729 2.4791 2.4791 4.8875 4.8875 5.7223 5.7223 5.7639 5.7639 5.8446 5.8446 6.1558 6.1558 6.2265 6.2265 6.3833 6.3833 6.5499 6.5499 6.7525 6.7525 7.3909 7.3909 k = 0.2024 0.2024-0.0000 ( 12759 PWs) bands (ev): -17.0817 -17.0817 -16.8601 -16.8601 -16.8284 -16.8284 -14.9912 -14.9912 -14.9744 -14.9744 -14.9219 -14.9219 -12.9813 -12.9813 -6.8809 -6.8809 -6.7118 -6.7118 -6.4557 -6.4557 -2.6675 -2.6675 -2.5801 -2.5801 -2.4502 -2.4502 -2.2587 -2.2587 -2.1705 -2.1705 -2.0156 -2.0156 -1.9367 -1.9367 -1.8791 -1.8791 -1.7903 -1.7903 -1.5068 -1.5068 -1.4500 -1.4500 -0.9694 -0.9694 -0.7561 -0.7561 -0.3566 -0.3566 -0.0892 -0.0892 0.2044 0.2044 0.5200 0.5200 2.0377 2.0377 2.1541 2.1541 2.2174 2.2174 2.3397 2.3397 2.3756 2.3756 2.4625 2.4625 4.8280 4.8280 5.7132 5.7132 5.7526 5.7526 5.8311 5.8311 6.1612 6.1612 6.2411 6.2411 6.3932 6.3932 6.5409 6.5409 6.7115 6.7115 7.3435 7.3435 k = 0.1905 0.1905-0.0000 ( 12765 PWs) bands (ev): -17.0891 -17.0891 -16.8579 -16.8579 -16.8290 -16.8290 -14.9845 -14.9845 -14.9692 -14.9692 -14.9219 -14.9219 -12.9824 -12.9824 -6.8835 -6.8835 -6.7352 -6.7352 -6.4645 -6.4645 -2.6580 -2.6580 -2.5747 -2.5747 -2.4414 -2.4414 -2.2367 -2.2367 -2.1540 -2.1540 -2.0012 -2.0012 -1.9243 -1.9243 -1.8775 -1.8775 -1.7934 -1.7934 -1.5209 -1.5209 -1.4759 -1.4759 -0.9657 -0.9657 -0.7496 -0.7496 -0.3818 -0.3818 -0.0686 -0.0686 0.2446 0.2446 0.5355 0.5355 2.0244 2.0244 2.1444 2.1444 2.2042 2.2042 2.3466 2.3466 2.3782 2.3782 2.4486 2.4486 4.7681 4.7681 5.7049 5.7049 5.7424 5.7424 5.8179 5.8179 6.1664 6.1664 6.2565 6.2565 6.4027 6.4027 6.5323 6.5323 6.6711 6.6711 7.2972 7.2972 k = 0.1786 0.1786-0.0000 ( 12773 PWs) bands (ev): -17.0961 -17.0961 -16.8557 -16.8557 -16.8297 -16.8297 -14.9780 -14.9780 -14.9641 -14.9641 -14.9220 -14.9220 -12.9836 -12.9836 -6.8865 -6.8865 -6.7576 -6.7576 -6.4722 -6.4722 -2.6494 -2.6494 -2.5696 -2.5696 -2.4382 -2.4382 -2.2164 -2.2164 -2.1362 -2.1362 -1.9854 -1.9854 -1.9121 -1.9121 -1.8750 -1.8750 -1.7959 -1.7959 -1.5341 -1.5341 -1.5005 -1.5005 -0.9617 -0.9617 -0.7418 -0.7418 -0.4088 -0.4088 -0.0455 -0.0455 0.2851 0.2851 0.5514 0.5514 2.0115 2.0115 2.1315 2.1315 2.1886 2.1886 2.3529 2.3529 2.3806 2.3806 2.4373 2.4373 4.7085 4.7085 5.6974 5.6974 5.7335 5.7335 5.8051 5.8051 6.1716 6.1716 6.2718 6.2718 6.4118 6.4118 6.5241 6.5241 6.6320 6.6320 7.2524 7.2524 k = 0.1667 0.1667-0.0000 ( 12769 PWs) bands (ev): -17.1029 -17.1029 -16.8535 -16.8535 -16.8304 -16.8304 -14.9716 -14.9716 -14.9592 -14.9592 -14.9220 -14.9220 -12.9848 -12.9848 -6.8899 -6.8899 -6.7788 -6.7788 -6.4787 -6.4787 -2.6413 -2.6413 -2.5647 -2.5647 -2.4395 -2.4395 -2.1974 -2.1974 -2.1193 -2.1193 -1.9685 -1.9685 -1.9007 -1.9007 -1.8711 -1.8711 -1.7973 -1.7973 -1.5464 -1.5464 -1.5232 -1.5232 -0.9575 -0.9575 -0.7332 -0.7332 -0.4364 -0.4364 -0.0211 -0.0211 0.3257 0.3257 0.5676 0.5676 1.9991 1.9991 2.1159 2.1159 2.1706 2.1706 2.3586 2.3586 2.3828 2.3828 2.4287 2.4287 4.6496 4.6496 5.6909 5.6909 5.7259 5.7259 5.7928 5.7928 6.1766 6.1766 6.2864 6.2864 6.4204 6.4204 6.5159 6.5159 6.5952 6.5952 7.2091 7.2091 k = 0.1548 0.1548-0.0000 ( 12773 PWs) bands (ev): -17.1093 -17.1093 -16.8515 -16.8515 -16.8311 -16.8311 -14.9655 -14.9655 -14.9545 -14.9545 -14.9220 -14.9220 -12.9861 -12.9861 -6.8936 -6.8936 -6.7989 -6.7989 -6.4841 -6.4841 -2.6340 -2.6340 -2.5601 -2.5601 -2.4441 -2.4441 -2.1797 -2.1797 -2.1046 -2.1046 -1.9510 -1.9510 -1.8913 -1.8913 -1.8648 -1.8648 -1.7971 -1.7971 -1.5578 -1.5578 -1.5436 -1.5436 -0.9535 -0.9535 -0.7241 -0.7241 -0.4635 -0.4635 0.0037 0.0037 0.3664 0.3664 0.5839 0.5839 1.9872 1.9872 2.0980 2.0980 2.1504 2.1504 2.3636 2.3636 2.3848 2.3848 2.4225 2.4225 4.5920 4.5920 5.6855 5.6855 5.7195 5.7195 5.7810 5.7810 6.1812 6.1812 6.2994 6.2994 6.4282 6.4282 6.5071 6.5071 6.5624 6.5624 7.1678 7.1678 k = 0.1429 0.1429-0.0000 ( 12795 PWs) bands (ev): -17.1153 -17.1153 -16.8495 -16.8495 -16.8319 -16.8319 -14.9597 -14.9597 -14.9501 -14.9501 -14.9221 -14.9221 -12.9874 -12.9874 -6.8975 -6.8975 -6.8176 -6.8176 -6.4886 -6.4886 -2.6272 -2.6272 -2.5557 -2.5557 -2.4508 -2.4508 -2.1633 -2.1633 -2.0928 -2.0928 -1.9334 -1.9334 -1.8848 -1.8848 -1.8562 -1.8562 -1.7947 -1.7947 -1.5693 -1.5693 -1.5604 -1.5604 -0.9497 -0.9497 -0.7145 -0.7145 -0.4897 -0.4897 0.0282 0.0282 0.4069 0.4069 0.6003 0.6003 1.9758 1.9758 2.0785 2.0785 2.1283 2.1283 2.3680 2.3680 2.3865 2.3865 2.4182 2.4182 4.5362 4.5362 5.6811 5.6811 5.7143 5.7143 5.7699 5.7699 6.1853 6.1853 6.3098 6.3098 6.4348 6.4348 6.4961 6.4961 6.5367 6.5367 7.1284 7.1284 k = 0.1310 0.1310-0.0000 ( 12805 PWs) bands (ev): -17.1210 -17.1210 -16.8477 -16.8477 -16.8326 -16.8326 -14.9541 -14.9541 -14.9459 -14.9459 -14.9221 -14.9221 -12.9887 -12.9887 -6.9015 -6.9015 -6.8351 -6.8351 -6.4922 -6.4922 -2.6211 -2.6211 -2.5515 -2.5515 -2.4589 -2.4589 -2.1486 -2.1486 -2.0841 -2.0841 -1.9167 -1.9167 -1.8802 -1.8802 -1.8466 -1.8466 -1.7898 -1.7898 -1.5817 -1.5817 -1.5725 -1.5725 -0.9465 -0.9465 -0.7049 -0.7049 -0.5144 -0.5144 0.0518 0.0518 0.4471 0.4471 0.6167 0.6167 1.9652 1.9652 2.0580 2.0580 2.1046 2.1046 2.3720 2.3720 2.3878 2.3878 2.4156 2.4156 4.4826 4.4826 5.6778 5.6778 5.7101 5.7101 5.7595 5.7595 6.1889 6.1889 6.3162 6.3162 6.4388 6.4388 6.4829 6.4829 6.5211 6.5211 7.0912 7.0912 k = 0.1190 0.1190-0.0000 ( 12821 PWs) bands (ev): -17.1262 -17.1262 -16.8460 -16.8460 -16.8333 -16.8333 -14.9490 -14.9490 -14.9420 -14.9420 -14.9221 -14.9221 -12.9900 -12.9900 -6.9055 -6.9055 -6.8511 -6.8511 -6.4950 -6.4950 -2.6155 -2.6155 -2.5475 -2.5475 -2.4677 -2.4677 -2.1354 -2.1354 -2.0782 -2.0782 -1.9019 -1.9019 -1.8760 -1.8760 -1.8377 -1.8377 -1.7822 -1.7822 -1.5934 -1.5934 -1.5812 -1.5812 -0.9439 -0.9439 -0.6953 -0.6953 -0.5373 -0.5373 0.0743 0.0743 0.4867 0.4867 0.6329 0.6329 1.9552 1.9552 2.0372 2.0372 2.0798 2.0798 2.3755 2.3755 2.3889 2.3889 2.4141 2.4141 4.4318 4.4318 5.6753 5.6753 5.7070 5.7070 5.7499 5.7499 6.1917 6.1917 6.3166 6.3166 6.4379 6.4379 6.4742 6.4742 6.5132 6.5132 7.0564 7.0564 k = 0.1071 0.1071-0.0000 ( 12821 PWs) bands (ev): -17.1310 -17.1310 -16.8444 -16.8444 -16.8340 -16.8340 -14.9442 -14.9442 -14.9384 -14.9384 -14.9222 -14.9222 -12.9912 -12.9912 -6.9095 -6.9095 -6.8658 -6.8658 -6.4972 -6.4972 -2.6104 -2.6104 -2.5438 -2.5438 -2.4768 -2.4768 -2.1239 -2.1239 -2.0747 -2.0747 -1.8911 -1.8911 -1.8699 -1.8699 -1.8304 -1.8304 -1.7724 -1.7724 -1.6027 -1.6027 -1.5882 -1.5882 -0.9422 -0.9422 -0.6861 -0.6861 -0.5580 -0.5580 0.0953 0.0953 0.5252 0.5252 0.6487 0.6487 1.9460 1.9460 2.0164 2.0164 2.0545 2.0545 2.3785 2.3785 2.3897 2.3897 2.4133 2.4133 4.3842 4.3842 5.6735 5.6735 5.7048 5.7048 5.7412 5.7412 6.1938 6.1938 6.3097 6.3097 6.4336 6.4336 6.4740 6.4740 6.5090 6.5090 7.0241 7.0241 k = 0.0952 0.0952-0.0000 ( 12825 PWs) bands (ev): -17.1353 -17.1353 -16.8429 -16.8429 -16.8346 -16.8346 -14.9398 -14.9398 -14.9351 -14.9351 -14.9222 -14.9222 -12.9924 -12.9924 -6.9132 -6.9132 -6.8790 -6.8790 -6.4989 -6.4989 -2.6059 -2.6059 -2.5403 -2.5403 -2.4857 -2.4857 -2.1139 -2.1139 -2.0731 -2.0731 -1.8856 -1.8856 -1.8608 -1.8608 -1.8246 -1.8246 -1.7615 -1.7615 -1.6093 -1.6093 -1.5940 -1.5940 -0.9414 -0.9414 -0.6772 -0.6772 -0.5763 -0.5763 0.1145 0.1145 0.5623 0.5623 0.6640 0.6640 1.9376 1.9376 1.9963 1.9963 2.0292 2.0292 2.3812 2.3812 2.3902 2.3902 2.4130 2.4130 4.3403 4.3403 5.6723 5.6723 5.7035 5.7035 5.7335 5.7335 6.1952 6.1952 6.2961 6.2961 6.4313 6.4313 6.4779 6.4779 6.5068 6.5068 6.9946 6.9946 k = 0.0833 0.0833-0.0000 ( 12823 PWs) bands (ev): -17.1392 -17.1392 -16.8416 -16.8416 -16.8352 -16.8352 -14.9358 -14.9358 -14.9322 -14.9322 -14.9222 -14.9222 -12.9935 -12.9935 -6.9168 -6.9168 -6.8907 -6.8907 -6.5001 -6.5001 -2.6019 -2.6019 -2.5372 -2.5372 -2.4942 -2.4942 -2.1054 -2.1054 -2.0729 -2.0729 -1.8832 -1.8832 -1.8504 -1.8504 -1.8202 -1.8202 -1.7504 -1.7504 -1.6131 -1.6131 -1.5987 -1.5987 -0.9415 -0.9415 -0.6690 -0.6690 -0.5921 -0.5921 0.1318 0.1318 0.5974 0.5974 0.6784 0.6784 1.9301 1.9301 1.9773 1.9773 2.0045 2.0045 2.3836 2.3836 2.3906 2.3906 2.4129 2.4129 4.3005 4.3005 5.6714 5.6714 5.7030 5.7030 5.7268 5.7268 6.1961 6.1961 6.2785 6.2785 6.4319 6.4319 6.4833 6.4833 6.5059 6.5059 6.9679 6.9679 k = 0.0714 0.0714-0.0000 ( 12819 PWs) bands (ev): -17.1425 -17.1425 -16.8404 -16.8404 -16.8357 -16.8357 -14.9323 -14.9323 -14.9296 -14.9296 -14.9223 -14.9223 -12.9945 -12.9945 -6.9200 -6.9200 -6.9009 -6.9009 -6.5010 -6.5010 -2.5985 -2.5985 -2.5343 -2.5343 -2.5020 -2.5020 -2.0984 -2.0984 -2.0737 -2.0737 -1.8822 -1.8822 -1.8407 -1.8407 -1.8170 -1.8170 -1.7401 -1.7401 -1.6148 -1.6148 -1.6024 -1.6024 -0.9423 -0.9423 -0.6615 -0.6615 -0.6055 -0.6055 0.1470 0.1470 0.6299 0.6299 0.6916 0.6916 1.9234 1.9234 1.9599 1.9599 1.9810 1.9810 2.3856 2.3856 2.3909 2.3909 2.4129 2.4129 4.2652 4.2652 5.6706 5.6706 5.7031 5.7031 5.7211 5.7211 6.1964 6.1964 6.2597 6.2597 6.4341 6.4341 6.4889 6.4889 6.5059 6.5059 6.9444 6.9444 k = 0.0595 0.0595-0.0000 ( 12811 PWs) bands (ev): -17.1454 -17.1454 -16.8394 -16.8394 -16.8361 -16.8361 -14.9293 -14.9293 -14.9274 -14.9274 -14.9223 -14.9223 -12.9953 -12.9953 -6.9228 -6.9228 -6.9096 -6.9096 -6.5016 -6.5016 -2.5955 -2.5955 -2.5318 -2.5318 -2.5090 -2.5090 -2.0926 -2.0926 -2.0750 -2.0750 -1.8818 -1.8818 -1.8321 -1.8321 -1.8148 -1.8148 -1.7310 -1.7310 -1.6147 -1.6147 -1.6051 -1.6051 -0.9437 -0.9437 -0.6550 -0.6550 -0.6163 -0.6163 0.1600 0.1600 0.6592 0.6592 0.7035 0.7035 1.9177 1.9177 1.9443 1.9443 1.9596 1.9596 2.3873 2.3873 2.3910 2.3910 2.4129 2.4129 4.2347 4.2347 5.6699 5.6699 5.7038 5.7038 5.7166 5.7166 6.1964 6.1964 6.2418 6.2418 6.4368 6.4368 6.4943 6.4943 6.5064 6.5064 6.9240 6.9240 k = 0.0476 0.0476-0.0000 ( 12827 PWs) bands (ev): -17.1478 -17.1478 -16.8386 -16.8386 -16.8365 -16.8365 -14.9268 -14.9268 -14.9256 -14.9256 -14.9223 -14.9223 -12.9961 -12.9961 -6.9252 -6.9252 -6.9168 -6.9168 -6.5020 -6.5020 -2.5931 -2.5931 -2.5298 -2.5298 -2.5149 -2.5149 -2.0880 -2.0880 -2.0765 -2.0765 -1.8817 -1.8817 -1.8248 -1.8248 -1.8133 -1.8133 -1.7236 -1.7236 -1.6136 -1.6136 -1.6070 -1.6070 -0.9454 -0.9454 -0.6494 -0.6494 -0.6249 -0.6249 0.1708 0.1708 0.6845 0.6845 0.7136 0.7136 1.9130 1.9130 1.9310 1.9310 1.9408 1.9408 2.3887 2.3887 2.3911 2.3911 2.4130 2.4130 4.2094 4.2094 5.6692 5.6692 5.7047 5.7047 5.7130 5.7130 6.1962 6.1962 6.2259 6.2259 6.4393 6.4393 6.4993 6.4993 6.5071 6.5071 6.9071 6.9071 k = 0.0357 0.0357-0.0000 ( 12861 PWs) bands (ev): -17.1496 -17.1496 -16.8380 -16.8380 -16.8368 -16.8368 -14.9249 -14.9249 -14.9241 -14.9241 -14.9223 -14.9223 -12.9967 -12.9967 -6.9270 -6.9270 -6.9223 -6.9223 -6.5022 -6.5022 -2.5912 -2.5912 -2.5281 -2.5281 -2.5197 -2.5197 -2.0845 -2.0845 -2.0780 -2.0780 -1.8818 -1.8818 -1.8191 -1.8191 -1.8124 -1.8124 -1.7179 -1.7179 -1.6120 -1.6120 -1.6082 -1.6082 -0.9472 -0.9472 -0.6450 -0.6450 -0.6313 -0.6313 0.1792 0.1792 0.7051 0.7051 0.7219 0.7219 1.9091 1.9091 1.9203 1.9203 1.9255 1.9255 2.3897 2.3897 2.3911 2.3911 2.4130 2.4130 4.1894 4.1894 5.6686 5.6686 5.7057 5.7057 5.7105 5.7105 6.1958 6.1958 6.2128 6.2128 6.4414 6.4414 6.5034 6.5034 6.5079 6.5079 6.8937 6.8937 k = 0.0238 0.0238-0.0000 ( 12863 PWs) bands (ev): -17.1510 -17.1510 -16.8375 -16.8375 -16.8370 -16.8370 -14.9235 -14.9235 -14.9231 -14.9231 -14.9223 -14.9223 -12.9971 -12.9971 -6.9284 -6.9284 -6.9263 -6.9263 -6.5024 -6.5024 -2.5898 -2.5898 -2.5269 -2.5269 -2.5231 -2.5231 -2.0821 -2.0821 -2.0792 -2.0792 -1.8819 -1.8819 -1.8149 -1.8149 -1.8119 -1.8119 -1.7139 -1.7139 -1.6106 -1.6106 -1.6088 -1.6088 -0.9486 -0.9486 -0.6417 -0.6417 -0.6357 -0.6357 0.1852 0.1852 0.7203 0.7203 0.7279 0.7279 1.9058 1.9058 1.9124 1.9124 1.9146 1.9146 2.3905 2.3905 2.3911 2.3911 2.4130 2.4130 4.1750 4.1750 5.6680 5.6680 5.7066 5.7066 5.7088 5.7088 6.1955 6.1955 6.2031 6.2031 6.4429 6.4429 6.5066 6.5066 6.5086 6.5086 6.8841 6.8841 k = 0.0119 0.0119-0.0000 ( 12873 PWs) bands (ev): -17.1518 -17.1518 -16.8372 -16.8372 -16.8371 -16.8371 -14.9227 -14.9227 -14.9224 -14.9224 -14.9223 -14.9223 -12.9973 -12.9973 -6.9292 -6.9292 -6.9287 -6.9287 -6.5024 -6.5024 -2.5890 -2.5890 -2.5262 -2.5262 -2.5253 -2.5253 -2.0807 -2.0807 -2.0800 -2.0800 -1.8820 -1.8820 -1.8123 -1.8123 -1.8116 -1.8116 -1.7116 -1.7116 -1.6095 -1.6095 -1.6091 -1.6091 -0.9496 -0.9496 -0.6398 -0.6398 -0.6383 -0.6383 0.1889 0.1889 0.7297 0.7297 0.7316 0.7316 1.9026 1.9026 1.9080 1.9080 1.9086 1.9086 2.3909 2.3909 2.3910 2.3910 2.4131 2.4131 4.1663 4.1663 5.6676 5.6676 5.7073 5.7073 5.7078 5.7078 6.1953 6.1953 6.1972 6.1972 6.4438 6.4438 6.5086 6.5086 6.5091 6.5091 6.8782 6.8782 k = 0.0000 0.0000 0.0000 ( 12893 PWs) bands (ev): -17.1520 -17.1520 -16.8372 -16.8372 -16.8372 -16.8372 -14.9225 -14.9225 -14.9222 -14.9222 -14.9222 -14.9222 -12.9974 -12.9974 -6.9295 -6.9295 -6.9295 -6.9295 -6.5025 -6.5025 -2.5887 -2.5887 -2.5260 -2.5260 -2.5260 -2.5260 -2.0802 -2.0802 -2.0802 -2.0802 -1.8821 -1.8821 -1.8115 -1.8115 -1.8115 -1.8115 -1.7108 -1.7108 -1.6092 -1.6092 -1.6092 -1.6092 -0.9500 -0.9500 -0.6391 -0.6391 -0.6391 -0.6391 0.1901 0.1901 0.7329 0.7329 0.7329 0.7329 1.9010 1.9010 1.9068 1.9068 1.9068 1.9068 2.3910 2.3910 2.3910 2.3910 2.4131 2.4131 4.1634 4.1634 5.6675 5.6675 5.7075 5.7075 5.7075 5.7075 6.1952 6.1952 6.1952 6.1952 6.4441 6.4441 6.5092 6.5092 6.5092 6.5092 6.8762 6.8762 k = 0.0000 0.0000 0.0000 ( 12893 PWs) bands (ev): -17.1520 -17.1520 -16.8372 -16.8372 -16.8372 -16.8372 -14.9225 -14.9225 -14.9222 -14.9222 -14.9222 -14.9222 -12.9974 -12.9974 -6.9295 -6.9295 -6.9295 -6.9295 -6.5025 -6.5025 -2.5887 -2.5887 -2.5260 -2.5260 -2.5260 -2.5260 -2.0802 -2.0802 -2.0802 -2.0802 -1.8821 -1.8821 -1.8115 -1.8115 -1.8115 -1.8115 -1.7108 -1.7108 -1.6092 -1.6092 -1.6092 -1.6092 -0.9500 -0.9500 -0.6391 -0.6391 -0.6391 -0.6391 0.1901 0.1901 0.7329 0.7329 0.7329 0.7329 1.9010 1.9010 1.9068 1.9068 1.9068 1.9068 2.3910 2.3910 2.3910 2.3910 2.4131 2.4131 4.1634 4.1634 5.6675 5.6675 5.7075 5.7075 5.7075 5.7075 6.1952 6.1952 6.1952 6.1952 6.4441 6.4441 6.5092 6.5092 6.5092 6.5092 6.8762 6.8762 k = 0.0098 0.0098 0.0098 ( 12863 PWs) bands (ev): -17.1518 -17.1518 -16.8372 -16.8372 -16.8372 -16.8372 -14.9227 -14.9227 -14.9224 -14.9224 -14.9223 -14.9223 -12.9973 -12.9973 -6.9290 -6.9290 -6.9290 -6.9290 -6.5024 -6.5024 -2.5890 -2.5890 -2.5263 -2.5263 -2.5252 -2.5252 -2.0806 -2.0806 -2.0801 -2.0801 -1.8820 -1.8820 -1.8123 -1.8123 -1.8116 -1.8116 -1.7116 -1.7116 -1.6094 -1.6094 -1.6093 -1.6093 -0.9496 -0.9496 -0.6398 -0.6398 -0.6382 -0.6382 0.1889 0.1889 0.7296 0.7296 0.7316 0.7316 1.9027 1.9027 1.9082 1.9082 1.9084 1.9084 2.3909 2.3909 2.3910 2.3910 2.4131 2.4131 4.1663 4.1663 5.6676 5.6676 5.7075 5.7075 5.7075 5.7075 6.1962 6.1962 6.1963 6.1963 6.4438 6.4438 6.5085 6.5085 6.5091 6.5091 6.8782 6.8782 k = 0.0196 0.0196 0.0196 ( 12866 PWs) bands (ev): -17.1509 -17.1509 -16.8373 -16.8373 -16.8373 -16.8373 -14.9233 -14.9233 -14.9229 -14.9229 -14.9228 -14.9228 -12.9971 -12.9971 -6.9273 -6.9273 -6.9273 -6.9273 -6.5024 -6.5024 -2.5898 -2.5898 -2.5271 -2.5271 -2.5229 -2.5229 -2.0817 -2.0817 -2.0796 -2.0796 -1.8819 -1.8819 -1.8147 -1.8147 -1.8122 -1.8122 -1.7139 -1.7139 -1.6099 -1.6099 -1.6095 -1.6095 -0.9486 -0.9486 -0.6419 -0.6419 -0.6355 -0.6355 0.1852 0.1852 0.7201 0.7201 0.7279 0.7279 1.9067 1.9067 1.9123 1.9123 1.9141 1.9141 2.3905 2.3905 2.3910 2.3910 2.4130 2.4130 4.1752 4.1752 5.6681 5.6681 5.7077 5.7077 5.7077 5.7077 6.1993 6.1993 6.1995 6.1995 6.4429 6.4429 6.5064 6.5064 6.5087 6.5087 6.8842 6.8842 k = 0.0294 0.0294 0.0294 ( 12842 PWs) bands (ev): -17.1496 -17.1496 -16.8374 -16.8374 -16.8374 -16.8374 -14.9243 -14.9243 -14.9236 -14.9236 -14.9234 -14.9234 -12.9966 -12.9966 -6.9246 -6.9246 -6.9245 -6.9245 -6.5022 -6.5022 -2.5912 -2.5912 -2.5286 -2.5286 -2.5192 -2.5192 -2.0836 -2.0836 -2.0789 -2.0789 -1.8818 -1.8818 -1.8187 -1.8187 -1.8131 -1.8131 -1.7177 -1.7177 -1.6107 -1.6107 -1.6098 -1.6098 -0.9471 -0.9471 -0.6451 -0.6451 -0.6310 -0.6310 0.1790 0.1790 0.7046 0.7046 0.7217 0.7217 1.9120 1.9120 1.9189 1.9189 1.9247 1.9247 2.3898 2.3898 2.3910 2.3910 2.4129 2.4129 4.1899 4.1899 5.6688 5.6688 5.7080 5.7080 5.7080 5.7080 6.2043 6.2043 6.2047 6.2047 6.4413 6.4413 6.5031 6.5031 6.5082 6.5082 6.8940 6.8940 k = 0.0392 0.0392 0.0392 ( 12824 PWs) bands (ev): -17.1477 -17.1477 -16.8376 -16.8376 -16.8375 -16.8375 -14.9258 -14.9258 -14.9246 -14.9246 -14.9244 -14.9244 -12.9961 -12.9961 -6.9208 -6.9208 -6.9207 -6.9207 -6.5020 -6.5020 -2.5929 -2.5929 -2.5306 -2.5306 -2.5142 -2.5142 -2.0863 -2.0863 -2.0780 -2.0780 -1.8818 -1.8818 -1.8242 -1.8242 -1.8148 -1.8148 -1.7230 -1.7230 -1.6116 -1.6116 -1.6098 -1.6098 -0.9455 -0.9455 -0.6491 -0.6491 -0.6248 -0.6248 0.1704 0.1704 0.6837 0.6837 0.7133 0.7133 1.9185 1.9185 1.9280 1.9280 1.9395 1.9395 2.3887 2.3887 2.3910 2.3910 2.4128 2.4128 4.2102 4.2102 5.6700 5.6700 5.7085 5.7085 5.7085 5.7085 6.2110 6.2110 6.2117 6.2117 6.4390 6.4390 6.4989 6.4989 6.5077 6.5077 6.9076 6.9076 k = 0.0490 0.0490 0.0490 ( 12812 PWs) bands (ev): -17.1453 -17.1453 -16.8378 -16.8378 -16.8378 -16.8378 -14.9277 -14.9277 -14.9259 -14.9259 -14.9256 -14.9256 -12.9953 -12.9953 -6.9160 -6.9160 -6.9157 -6.9157 -6.5017 -6.5017 -2.5951 -2.5951 -2.5332 -2.5332 -2.5080 -2.5080 -2.0900 -2.0900 -2.0769 -2.0769 -1.8821 -1.8821 -1.8312 -1.8312 -1.8173 -1.8173 -1.7297 -1.7297 -1.6123 -1.6123 -1.6092 -1.6092 -0.9440 -0.9440 -0.6535 -0.6535 -0.6168 -0.6168 0.1594 0.1594 0.6584 0.6584 0.7029 0.7029 1.9265 1.9265 1.9393 1.9393 1.9577 1.9577 2.3871 2.3871 2.3910 2.3910 2.4125 2.4125 4.2361 4.2361 5.6716 5.6716 5.7094 5.7094 5.7094 5.7094 6.2191 6.2191 6.2203 6.2203 6.4358 6.4358 6.4941 6.4941 6.5073 6.5073 6.9247 6.9247 k = 0.0588 0.0588 0.0588 ( 12824 PWs) bands (ev): -17.1424 -17.1424 -16.8381 -16.8381 -16.8380 -16.8380 -14.9300 -14.9300 -14.9274 -14.9274 -14.9271 -14.9271 -12.9944 -12.9944 -6.9100 -6.9100 -6.9096 -6.9096 -6.5013 -6.5013 -2.5977 -2.5977 -2.5362 -2.5362 -2.5009 -2.5009 -2.0948 -2.0948 -2.0759 -2.0759 -1.8827 -1.8827 -1.8396 -1.8396 -1.8209 -1.8209 -1.7378 -1.7378 -1.6126 -1.6126 -1.6075 -1.6075 -0.9433 -0.9433 -0.6576 -0.6576 -0.6071 -0.6071 0.1461 0.1461 0.6293 0.6293 0.6906 0.6906 1.9359 1.9359 1.9526 1.9526 1.9786 1.9786 2.3851 2.3851 2.3909 2.3909 2.4121 2.4121 4.2672 4.2672 5.6738 5.6738 5.7106 5.7106 5.7108 5.7108 6.2281 6.2281 6.2300 6.2300 6.4315 6.4315 6.4896 6.4896 6.5073 6.5073 6.9452 6.9452 k = 0.0686 0.0686 0.0686 ( 12800 PWs) bands (ev): -17.1389 -17.1389 -16.8384 -16.8384 -16.8383 -16.8383 -14.9327 -14.9327 -14.9291 -14.9291 -14.9289 -14.9289 -12.9934 -12.9934 -6.9030 -6.9030 -6.9025 -6.9025 -6.5008 -6.5008 -2.6005 -2.6005 -2.5398 -2.5398 -2.4929 -2.4929 -2.1008 -2.1008 -2.0748 -2.0748 -1.8841 -1.8841 -1.8493 -1.8493 -1.8261 -1.8261 -1.7471 -1.7471 -1.6121 -1.6121 -1.6042 -1.6042 -0.9440 -0.9440 -0.6608 -0.6608 -0.5958 -0.5958 0.1305 0.1305 0.5973 0.5973 0.6767 0.6767 1.9465 1.9465 1.9674 1.9674 2.0015 2.0015 2.3825 2.3825 2.3908 2.3908 2.4116 2.4116 4.3033 4.3033 5.6766 5.6766 5.7123 5.7123 5.7128 5.7128 6.2376 6.2376 6.2404 6.2404 6.4258 6.4258 6.4863 6.4863 6.5081 6.5081 6.9689 6.9689 k = 0.0784 0.0784 0.0784 ( 12812 PWs) bands (ev): -17.1350 -17.1350 -16.8387 -16.8387 -16.8387 -16.8387 -14.9358 -14.9358 -14.9311 -14.9311 -14.9309 -14.9309 -12.9923 -12.9923 -6.8950 -6.8950 -6.8943 -6.8943 -6.5001 -6.5001 -2.6038 -2.6038 -2.5439 -2.5439 -2.4844 -2.4844 -2.1081 -2.1081 -2.0740 -2.0740 -1.8864 -1.8864 -1.8602 -1.8602 -1.8329 -1.8329 -1.7576 -1.7576 -1.6105 -1.6105 -1.5991 -1.5991 -0.9466 -0.9466 -0.6622 -0.6622 -0.5829 -0.5829 0.1126 0.1126 0.5635 0.5635 0.6615 0.6615 1.9583 1.9583 1.9836 1.9836 2.0258 2.0258 2.3792 2.3792 2.3907 2.3907 2.4109 2.4109 4.3441 4.3441 5.6802 5.6802 5.7147 5.7147 5.7156 5.7156 6.2469 6.2469 6.2510 6.2510 6.4182 6.4182 6.4850 6.4850 6.5101 6.5101 6.9956 6.9956 k = 0.0882 0.0882 0.0882 ( 12809 PWs) bands (ev): -17.1306 -17.1306 -16.8391 -16.8391 -16.8391 -16.8391 -14.9391 -14.9391 -14.9334 -14.9334 -14.9332 -14.9332 -12.9912 -12.9912 -6.8858 -6.8858 -6.8850 -6.8850 -6.4992 -6.4992 -2.6074 -2.6074 -2.5484 -2.5484 -2.4755 -2.4755 -2.1168 -2.1168 -2.0734 -2.0734 -1.8903 -1.8903 -1.8717 -1.8717 -1.8415 -1.8415 -1.7691 -1.7691 -1.6076 -1.6076 -1.5916 -1.5916 -0.9517 -0.9517 -0.6613 -0.6613 -0.5685 -0.5685 0.0925 0.0925 0.5285 0.5285 0.6451 0.6451 1.9709 1.9709 2.0008 2.0008 2.0509 2.0509 2.3752 2.3752 2.3905 2.3905 2.4100 2.4100 4.3892 4.3892 5.6846 5.6846 5.7177 5.7177 5.7194 5.7194 6.2555 6.2555 6.2611 6.2611 6.4085 6.4085 6.4867 6.4867 6.5138 6.5138 7.0251 7.0251 k = 0.0980 0.0980 0.0980 ( 12812 PWs) bands (ev): -17.1257 -17.1257 -16.8396 -16.8396 -16.8395 -16.8395 -14.9428 -14.9428 -14.9359 -14.9359 -14.9357 -14.9357 -12.9900 -12.9900 -6.8757 -6.8757 -6.8746 -6.8746 -6.4980 -6.4980 -2.6113 -2.6113 -2.5533 -2.5533 -2.4667 -2.4667 -2.1271 -2.1271 -2.0733 -2.0733 -1.8972 -1.8972 -1.8825 -1.8825 -1.8521 -1.8521 -1.7812 -1.7812 -1.6032 -1.6032 -1.5816 -1.5816 -0.9596 -0.9596 -0.6576 -0.6576 -0.5526 -0.5526 0.0703 0.0703 0.4932 0.4932 0.6280 0.6280 1.9841 1.9841 2.0185 2.0185 2.0761 2.0761 2.3705 2.3705 2.3902 2.3902 2.4090 2.4090 4.4381 4.4381 5.6899 5.6899 5.7215 5.7215 5.7243 5.7243 6.2625 6.2625 6.2700 6.2700 6.3969 6.3969 6.4921 6.4921 6.5197 6.5197 7.0572 7.0572 k = 0.1078 0.1078 0.1078 ( 12806 PWs) bands (ev): -17.1204 -17.1204 -16.8400 -16.8400 -16.8400 -16.8400 -14.9468 -14.9468 -14.9387 -14.9387 -14.9385 -14.9385 -12.9887 -12.9887 -6.8645 -6.8645 -6.8633 -6.8633 -6.4966 -6.4966 -2.6157 -2.6157 -2.5586 -2.5586 -2.4584 -2.4584 -2.1391 -2.1391 -2.0736 -2.0736 -1.9088 -1.9088 -1.8909 -1.8909 -1.8643 -1.8643 -1.7937 -1.7937 -1.5970 -1.5970 -1.5690 -1.5690 -0.9701 -0.9701 -0.6509 -0.6509 -0.5354 -0.5354 0.0462 0.0462 0.4583 0.4583 0.6102 0.6102 1.9978 1.9978 2.0366 2.0366 2.1010 2.1010 2.3650 2.3650 2.3898 2.3898 2.4079 2.4079 4.4906 4.4906 5.6961 5.6961 5.7261 5.7261 5.7307 5.7307 6.2675 6.2675 6.2773 6.2773 6.3836 6.3836 6.5012 6.5012 6.5283 6.5283 7.0916 7.0916 k = 0.1176 0.1176 0.1176 ( 12782 PWs) bands (ev): -17.1146 -17.1146 -16.8405 -16.8405 -16.8405 -16.8405 -14.9511 -14.9511 -14.9417 -14.9417 -14.9414 -14.9414 -12.9875 -12.9875 -6.8523 -6.8523 -6.8508 -6.8508 -6.4948 -6.4948 -2.6205 -2.6205 -2.5644 -2.5644 -2.4509 -2.4509 -2.1529 -2.1529 -2.0747 -2.0747 -1.9240 -1.9240 -1.8979 -1.8979 -1.8780 -1.8780 -1.8060 -1.8060 -1.5893 -1.5893 -1.5539 -1.5539 -0.9831 -0.9831 -0.6412 -0.6412 -0.5168 -0.5168 0.0203 0.0203 0.4243 0.4243 0.5920 0.5920 2.0118 2.0118 2.0546 2.0546 2.1249 2.1249 2.3588 2.3588 2.3895 2.3895 2.4067 2.4067 4.5460 4.5460 5.7033 5.7033 5.7316 5.7316 5.7388 5.7388 6.2703 6.2703 6.2824 6.2824 6.3690 6.3690 6.5141 6.5141 6.5399 6.5399 7.1282 7.1282 k = 0.1275 0.1275 0.1275 ( 12782 PWs) bands (ev): -17.1084 -17.1084 -16.8411 -16.8411 -16.8410 -16.8410 -14.9556 -14.9556 -14.9449 -14.9449 -14.9446 -14.9446 -12.9863 -12.9863 -6.8391 -6.8391 -6.8374 -6.8374 -6.4926 -6.4926 -2.6257 -2.6257 -2.5704 -2.5704 -2.4450 -2.4450 -2.1686 -2.1686 -2.0766 -2.0766 -1.9410 -1.9410 -1.9051 -1.9051 -1.8927 -1.8927 -1.8177 -1.8177 -1.5803 -1.5803 -1.5363 -1.5363 -0.9978 -0.9978 -0.6288 -0.6288 -0.4970 -0.4970 -0.0070 -0.0070 0.3917 0.3917 0.5737 0.5737 2.0258 2.0258 2.0723 2.0723 2.1471 2.1471 2.3521 2.3521 2.3891 2.3891 2.4056 2.4056 4.6040 4.6040 5.7114 5.7114 5.7381 5.7381 5.7488 5.7488 6.2707 6.2707 6.2851 6.2851 6.3534 6.3534 6.5307 6.5307 6.5547 6.5547 7.1668 7.1668 k = 0.1373 0.1373 0.1373 ( 12794 PWs) bands (ev): -17.1018 -17.1018 -16.8416 -16.8416 -16.8415 -16.8415 -14.9603 -14.9603 -14.9483 -14.9483 -14.9480 -14.9480 -12.9852 -12.9852 -6.8249 -6.8249 -6.8230 -6.8230 -6.4901 -6.4901 -2.6314 -2.6314 -2.5768 -2.5768 -2.4413 -2.4413 -2.1865 -2.1865 -2.0798 -2.0798 -1.9591 -1.9591 -1.9126 -1.9126 -1.9083 -1.9083 -1.8281 -1.8281 -1.5703 -1.5703 -1.5164 -1.5164 -1.0135 -1.0135 -0.6141 -0.6141 -0.4761 -0.4761 -0.0355 -0.0355 0.3608 0.3608 0.5553 0.5553 2.0395 2.0395 2.0892 2.0892 2.1669 2.1669 2.3450 2.3450 2.3886 2.3886 2.4047 2.4047 4.6641 4.6641 5.7204 5.7204 5.7456 5.7456 5.7610 5.7610 6.2689 6.2689 6.2855 6.2855 6.3372 6.3372 6.5504 6.5504 6.5726 6.5726 7.2071 7.2071 k = 0.1471 0.1471 0.1471 ( 12797 PWs) bands (ev): -17.0949 -17.0949 -16.8422 -16.8422 -16.8421 -16.8421 -14.9652 -14.9652 -14.9519 -14.9519 -14.9516 -14.9516 -12.9841 -12.9841 -6.8098 -6.8098 -6.8077 -6.8077 -6.4871 -6.4871 -2.6376 -2.6376 -2.5836 -2.5836 -2.4403 -2.4403 -2.2067 -2.2067 -2.0850 -2.0850 -1.9774 -1.9774 -1.9241 -1.9241 -1.9203 -1.9203 -1.8368 -1.8368 -1.5600 -1.5600 -1.4943 -1.4943 -1.0292 -1.0292 -0.5974 -0.5974 -0.4541 -0.4541 -0.0647 -0.0647 0.3319 0.3319 0.5372 0.5372 2.0528 2.0528 2.1050 2.1050 2.1837 2.1837 2.3379 2.3379 2.3882 2.3882 2.4041 2.4041 4.7257 4.7257 5.7302 5.7302 5.7540 5.7540 5.7757 5.7757 6.2652 6.2652 6.2838 6.2838 6.3206 6.3206 6.5727 6.5727 6.5933 6.5933 7.2491 7.2491 k = 0.1569 0.1569 0.1569 ( 12797 PWs) bands (ev): -17.0876 -17.0876 -16.8428 -16.8428 -16.8427 -16.8427 -14.9702 -14.9702 -14.9557 -14.9557 -14.9554 -14.9554 -12.9832 -12.9832 -6.7937 -6.7937 -6.7913 -6.7913 -6.4835 -6.4835 -2.6444 -2.6444 -2.5906 -2.5906 -2.4427 -2.4427 -2.2292 -2.2292 -2.0936 -2.0936 -1.9946 -1.9946 -1.9399 -1.9399 -1.9275 -1.9275 -1.8434 -1.8434 -1.5501 -1.5501 -1.4703 -1.4703 -1.0439 -1.0439 -0.5794 -0.5794 -0.4312 -0.4312 -0.0940 -0.0940 0.3050 0.3050 0.5194 0.5194 2.0654 2.0654 2.1195 2.1195 2.1963 2.1963 2.3312 2.3312 2.3879 2.3879 2.4040 2.4040 4.7883 4.7883 5.7409 5.7409 5.7635 5.7635 5.7931 5.7931 6.2597 6.2597 6.2803 6.2803 6.3042 6.3042 6.5973 6.5973 6.6163 6.6163 7.2925 7.2925 k = 0.1667 0.1667 0.1667 ( 12821 PWs) bands (ev): -17.0799 -17.0799 -16.8434 -16.8434 -16.8433 -16.8433 -14.9753 -14.9753 -14.9596 -14.9596 -14.9594 -14.9594 -12.9824 -12.9824 -6.7767 -6.7767 -6.7741 -6.7741 -6.4795 -6.4795 -2.6519 -2.6519 -2.5980 -2.5980 -2.4490 -2.4490 -2.2541 -2.2541 -2.1074 -2.1074 -2.0092 -2.0092 -1.9553 -1.9553 -1.9335 -1.9335 -1.8478 -1.8478 -1.5415 -1.5415 -1.4445 -1.4445 -1.0564 -1.0564 -0.5604 -0.5604 -0.4073 -0.4073 -0.1229 -0.1229 0.2803 0.2803 0.5021 0.5021 2.0770 2.0770 2.1323 2.1323 2.2041 2.2041 2.3254 2.3254 2.3876 2.3876 2.4044 2.4044 4.8514 4.8514 5.7524 5.7524 5.7739 5.7739 5.8135 5.8135 6.2526 6.2526 6.2754 6.2754 6.2882 6.2882 6.6237 6.6237 6.6413 6.6413 7.3372 7.3372 k = 0.1765 0.1765 0.1765 ( 12791 PWs) bands (ev): -17.0720 -17.0720 -16.8441 -16.8441 -16.8439 -16.8439 -14.9805 -14.9805 -14.9637 -14.9637 -14.9635 -14.9635 -12.9818 -12.9818 -6.7588 -6.7588 -6.7560 -6.7560 -6.4748 -6.4748 -2.6602 -2.6602 -2.6056 -2.6056 -2.4593 -2.4593 -2.2813 -2.2813 -2.1279 -2.1279 -2.0199 -2.0199 -1.9701 -1.9701 -1.9377 -1.9377 -1.8497 -1.8497 -1.5351 -1.5351 -1.4170 -1.4170 -1.0656 -1.0656 -0.5409 -0.5409 -0.3827 -0.3827 -0.1506 -0.1506 0.2576 0.2576 0.4854 0.4854 2.0876 2.0876 2.1433 2.1433 2.2065 2.2065 2.3207 2.3207 2.3875 2.3875 2.4056 2.4056 4.9144 4.9144 5.7648 5.7648 5.7854 5.7854 5.8370 5.8370 6.2438 6.2438 6.2694 6.2694 6.2734 6.2734 6.6513 6.6513 6.6678 6.6678 7.3829 7.3829 k = 0.1863 0.1863 0.1863 ( 12797 PWs) bands (ev): -17.0638 -17.0638 -16.8447 -16.8447 -16.8445 -16.8445 -14.9857 -14.9857 -14.9680 -14.9680 -14.9678 -14.9678 -12.9813 -12.9813 -6.7401 -6.7401 -6.7371 -6.7371 -6.4696 -6.4696 -2.6695 -2.6695 -2.6136 -2.6136 -2.4735 -2.4735 -2.3109 -2.3109 -2.1549 -2.1549 -2.0273 -2.0273 -1.9841 -1.9841 -1.9396 -1.9396 -1.8493 -1.8493 -1.5320 -1.5320 -1.3881 -1.3881 -1.0702 -1.0702 -0.5216 -0.5216 -0.3573 -0.3573 -0.1764 -0.1764 0.2370 0.2370 0.4695 0.4695 2.0969 2.0969 2.1521 2.1521 2.2035 2.2035 2.3170 2.3170 2.3875 2.3875 2.4073 2.4073 4.9769 4.9769 5.7779 5.7779 5.7978 5.7978 5.8639 5.8639 6.2330 6.2330 6.2605 6.2605 6.2626 6.2626 6.6800 6.6800 6.6956 6.6956 7.4295 7.4295 k = 0.1961 0.1961 0.1961 ( 12788 PWs) bands (ev): -17.0554 -17.0554 -16.8453 -16.8453 -16.8451 -16.8451 -14.9910 -14.9910 -14.9724 -14.9724 -14.9722 -14.9722 -12.9811 -12.9811 -6.7205 -6.7205 -6.7173 -6.7173 -6.4636 -6.4636 -2.6800 -2.6800 -2.6218 -2.6218 -2.4913 -2.4913 -2.3426 -2.3426 -2.1873 -2.1873 -2.0327 -2.0327 -1.9972 -1.9972 -1.9391 -1.9391 -1.8462 -1.8462 -1.5328 -1.5328 -1.3579 -1.3579 -1.0693 -1.0693 -0.5032 -0.5032 -0.3312 -0.3312 -0.1994 -0.1994 0.2184 0.2184 0.4545 0.4545 2.1047 2.1047 2.1586 2.1586 2.1960 2.1960 2.3135 2.3135 2.3875 2.3875 2.4094 2.4094 5.0384 5.0384 5.7919 5.7919 5.8111 5.8111 5.8942 5.8942 6.2205 6.2205 6.2496 6.2496 6.2554 6.2554 6.7094 6.7094 6.7241 6.7241 7.4769 7.4769 k = 0.2059 0.2059 0.2059 ( 12770 PWs) bands (ev): -17.0468 -17.0468 -16.8459 -16.8459 -16.8457 -16.8457 -14.9963 -14.9963 -14.9769 -14.9769 -14.9767 -14.9767 -12.9811 -12.9811 -6.7002 -6.7002 -6.6967 -6.6967 -6.4570 -6.4570 -2.6919 -2.6919 -2.6304 -2.6304 -2.5118 -2.5118 -2.3763 -2.3763 -2.2240 -2.2240 -2.0374 -2.0374 -2.0093 -2.0093 -1.9366 -1.9366 -1.8402 -1.8402 -1.5380 -1.5380 -1.3266 -1.3266 -1.0624 -1.0624 -0.4866 -0.4866 -0.3045 -0.3045 -0.2184 -0.2184 0.2017 0.2017 0.4404 0.4404 2.1109 2.1109 2.1628 2.1628 2.1849 2.1849 2.3097 2.3097 2.3875 2.3875 2.4113 2.4113 5.0982 5.0982 5.8067 5.8067 5.8252 5.8252 5.9281 5.9281 6.2071 6.2071 6.2404 6.2404 6.2481 6.2481 6.7392 6.7392 6.7533 6.7533 7.5248 7.5248 k = 0.2157 0.2157 0.2157 ( 12770 PWs) bands (ev): -17.0380 -17.0380 -16.8466 -16.8466 -16.8463 -16.8463 -15.0015 -15.0015 -14.9815 -14.9815 -14.9813 -14.9813 -12.9813 -12.9813 -6.6791 -6.6791 -6.6755 -6.6755 -6.4497 -6.4497 -2.7059 -2.7059 -2.6393 -2.6393 -2.5343 -2.5343 -2.4116 -2.4116 -2.2639 -2.2639 -2.0420 -2.0420 -2.0204 -2.0204 -1.9329 -1.9329 -1.8314 -1.8314 -1.5473 -1.5473 -1.2943 -1.2943 -1.0495 -1.0495 -0.4729 -0.4729 -0.2774 -0.2774 -0.2322 -0.2322 0.1869 0.1869 0.4274 0.4274 2.1152 2.1152 2.1647 2.1647 2.1712 2.1712 2.3051 2.3051 2.3872 2.3872 2.4124 2.4124 5.1562 5.1562 5.8221 5.8221 5.8402 5.8402 5.9657 5.9657 6.1937 6.1937 6.2324 6.2324 6.2407 6.2407 6.7691 6.7691 6.7827 6.7827 7.5732 7.5732 k = 0.2255 0.2255 0.2255 ( 12764 PWs) bands (ev): -17.0291 -17.0291 -16.8472 -16.8472 -16.8469 -16.8469 -15.0067 -15.0067 -14.9862 -14.9862 -14.9859 -14.9859 -12.9817 -12.9817 -6.6573 -6.6573 -6.6535 -6.6535 -6.4417 -6.4417 -2.7223 -2.7223 -2.6487 -2.6487 -2.5577 -2.5577 -2.4483 -2.4483 -2.3065 -2.3065 -2.0466 -2.0466 -2.0306 -2.0306 -1.9287 -1.9287 -1.8199 -1.8199 -1.5601 -1.5601 -1.2612 -1.2612 -1.0310 -1.0310 -0.4632 -0.4632 -0.2498 -0.2498 -0.2395 -0.2395 0.1741 0.1741 0.4156 0.4156 2.1174 2.1174 2.1557 2.1557 2.1642 2.1642 2.2994 2.2994 2.3866 2.3866 2.4124 2.4124 5.2118 5.2118 5.8383 5.8383 5.8559 5.8559 6.0068 6.0068 6.1809 6.1809 6.2253 6.2253 6.2335 6.2335 6.7991 6.7991 6.8122 6.8122 7.6218 7.6218 k = 0.2353 0.2353 0.2353 ( 12758 PWs) bands (ev): -17.0201 -17.0201 -16.8478 -16.8478 -16.8475 -16.8475 -15.0118 -15.0118 -14.9910 -14.9910 -14.9907 -14.9907 -12.9825 -12.9825 -6.6349 -6.6349 -6.6310 -6.6310 -6.4329 -6.4329 -2.7419 -2.7419 -2.6587 -2.6587 -2.5807 -2.5807 -2.4858 -2.4858 -2.3514 -2.3514 -2.0513 -2.0513 -2.0399 -2.0399 -1.9247 -1.9247 -1.8065 -1.8065 -1.5752 -1.5752 -1.2274 -1.2274 -1.0075 -1.0075 -0.4583 -0.4583 -0.2396 -0.2396 -0.2218 -0.2218 0.1631 0.1631 0.4050 0.4050 2.1169 2.1169 2.1396 2.1396 2.1616 2.1616 2.2925 2.2925 2.3854 2.3854 2.4105 2.4105 5.2649 5.2649 5.8551 5.8551 5.8722 5.8722 6.0513 6.0513 6.1690 6.1690 6.2190 6.2190 6.2267 6.2267 6.8288 6.8288 6.8415 6.8415 7.6704 7.6704 k = 0.2451 0.2451 0.2451 ( 12755 PWs) bands (ev): -17.0110 -17.0110 -16.8484 -16.8484 -16.8481 -16.8481 -15.0168 -15.0168 -14.9958 -14.9958 -14.9955 -14.9955 -12.9834 -12.9834 -6.6119 -6.6119 -6.6078 -6.6078 -6.4234 -6.4234 -2.7652 -2.7652 -2.6695 -2.6695 -2.6024 -2.6024 -2.5237 -2.5237 -2.3980 -2.3980 -2.0560 -2.0560 -2.0484 -2.0484 -1.9210 -1.9210 -1.7925 -1.7925 -1.5908 -1.5908 -1.1932 -1.1932 -0.9800 -0.9800 -0.4577 -0.4577 -0.2327 -0.2327 -0.1936 -0.1936 0.1540 0.1540 0.3957 0.3957 2.1108 2.1108 2.1260 2.1260 2.1570 2.1570 2.2842 2.2842 2.3833 2.3833 2.4067 2.4067 5.3151 5.3151 5.8724 5.8724 5.8891 5.8891 6.0988 6.0988 6.1587 6.1587 6.2137 6.2137 6.2204 6.2204 6.8582 6.8582 6.8706 6.8706 7.7190 7.7190 k = 0.2549 0.2549 0.2549 ( 12755 PWs) bands (ev): -17.0018 -17.0018 -16.8490 -16.8490 -16.8487 -16.8487 -15.0217 -15.0217 -15.0006 -15.0006 -15.0003 -15.0003 -12.9847 -12.9847 -6.5884 -6.5884 -6.5842 -6.5842 -6.4132 -6.4132 -2.7925 -2.7925 -2.6820 -2.6820 -2.6222 -2.6222 -2.5611 -2.5611 -2.4461 -2.4461 -2.0607 -2.0607 -2.0560 -2.0560 -1.9177 -1.9177 -1.7801 -1.7801 -1.6045 -1.6045 -1.1587 -1.1587 -0.9492 -0.9492 -0.4603 -0.4603 -0.2198 -0.2198 -0.1651 -0.1651 0.1468 0.1468 0.3878 0.3878 2.0954 2.0954 2.1189 2.1189 2.1505 2.1505 2.2745 2.2745 2.3801 2.3801 2.4005 2.4005 5.3626 5.3626 5.8901 5.8901 5.9065 5.9065 6.1422 6.1422 6.1560 6.1560 6.2100 6.2100 6.2147 6.2147 6.8870 6.8870 6.8991 6.8991 7.7674 7.7674 k = 0.2647 0.2647 0.2647 ( 12761 PWs) bands (ev): -16.9927 -16.9927 -16.8496 -16.8496 -16.8493 -16.8493 -15.0264 -15.0264 -15.0055 -15.0055 -15.0051 -15.0051 -12.9861 -12.9861 -6.5645 -6.5645 -6.5601 -6.5601 -6.4023 -6.4023 -2.8236 -2.8236 -2.6970 -2.6970 -2.6397 -2.6397 -2.5965 -2.5965 -2.4953 -2.4953 -2.0652 -2.0652 -2.0629 -2.0629 -1.9148 -1.9148 -1.7726 -1.7726 -1.6132 -1.6132 -1.1240 -1.1240 -0.9161 -0.9161 -0.4645 -0.4645 -0.2024 -0.2024 -0.1364 -0.1364 0.1416 0.1416 0.3814 0.3814 2.0762 2.0762 2.1131 2.1131 2.1423 2.1423 2.2633 2.2633 2.3756 2.3756 2.3920 2.3920 5.4071 5.4071 5.9082 5.9082 5.9243 5.9243 6.1401 6.1401 6.1928 6.1928 6.2098 6.2098 6.2176 6.2176 6.9152 6.9152 6.9271 6.9271 7.8154 7.8154 k = 0.2745 0.2745 0.2745 ( 12773 PWs) bands (ev): -16.9836 -16.9836 -16.8501 -16.8501 -16.8498 -16.8498 -15.0310 -15.0310 -15.0103 -15.0103 -15.0100 -15.0100 -12.9879 -12.9879 -6.5401 -6.5401 -6.5357 -6.5357 -6.3906 -6.3906 -2.8579 -2.8579 -2.7168 -2.7168 -2.6553 -2.6553 -2.6277 -2.6277 -2.5451 -2.5451 -2.0696 -2.0696 -2.0692 -2.0692 -1.9122 -1.9122 -1.7732 -1.7732 -1.6134 -1.6134 -1.0895 -1.0895 -0.8817 -0.8817 -0.4687 -0.4687 -0.1818 -0.1818 -0.1076 -0.1076 0.1385 0.1385 0.3765 0.3765 2.0557 2.0557 2.1063 2.1063 2.1327 2.1327 2.2505 2.2505 2.3698 2.3698 2.3812 2.3812 5.4488 5.4488 5.9267 5.9267 5.9423 5.9423 6.1345 6.1345 6.1976 6.1976 6.2057 6.2057 6.2656 6.2656 6.9425 6.9425 6.9542 6.9542 7.8628 7.8628 k = 0.2843 0.2843 0.2843 ( 12767 PWs) bands (ev): -16.9746 -16.9746 -16.8507 -16.8507 -16.8503 -16.8503 -15.0353 -15.0353 -15.0151 -15.0151 -15.0148 -15.0148 -12.9898 -12.9898 -6.5154 -6.5154 -6.5110 -6.5110 -6.3783 -6.3783 -2.8947 -2.8947 -2.7430 -2.7430 -2.6696 -2.6696 -2.6526 -2.6526 -2.5950 -2.5950 -2.0748 -2.0748 -2.0738 -2.0738 -1.9099 -1.9099 -1.7828 -1.7828 -1.6043 -1.6043 -1.0551 -1.0551 -0.8468 -0.8468 -0.4716 -0.4716 -0.1591 -0.1591 -0.0788 -0.0788 0.1374 0.1374 0.3732 0.3732 2.0345 2.0345 2.0981 2.0981 2.1216 2.1216 2.2357 2.2357 2.3624 2.3624 2.3681 2.3681 5.4878 5.4878 5.9452 5.9452 5.9606 5.9606 6.1304 6.1304 6.1962 6.1962 6.2024 6.2024 6.3227 6.3227 6.9689 6.9689 6.9805 6.9805 7.9096 7.9096 k = 0.2941 0.2941 0.2941 ( 12785 PWs) bands (ev): -16.9656 -16.9656 -16.8512 -16.8512 -16.8508 -16.8508 -15.0395 -15.0395 -15.0199 -15.0199 -15.0195 -15.0195 -12.9920 -12.9920 -6.4905 -6.4905 -6.4860 -6.4860 -6.3654 -6.3654 -2.9335 -2.9335 -2.7756 -2.7756 -2.6844 -2.6844 -2.6712 -2.6712 -2.6433 -2.6433 -2.0799 -2.0799 -2.0777 -2.0777 -1.9077 -1.9077 -1.7994 -1.7994 -1.5880 -1.5880 -1.0213 -1.0213 -0.8124 -0.8124 -0.4721 -0.4720 -0.1349 -0.1349 -0.0499 -0.0499 0.1385 0.1385 0.3715 0.3715 2.0128 2.0128 2.0885 2.0885 2.1094 2.1094 2.2189 2.2189 2.3530 2.3530 2.3533 2.3533 5.5241 5.5241 5.9639 5.9639 5.9789 5.9789 6.1281 6.1281 6.1951 6.1951 6.2000 6.2000 6.3819 6.3819 6.9943 6.9943 7.0057 7.0057 7.9555 7.9555 k = 0.3039 0.3039 0.3039 ( 12779 PWs) bands (ev): -16.9569 -16.9569 -16.8517 -16.8517 -16.8513 -16.8513 -15.0435 -15.0435 -15.0246 -15.0246 -15.0242 -15.0242 -12.9944 -12.9944 -6.4655 -6.4655 -6.4610 -6.4610 -6.3519 -6.3519 -2.9736 -2.9736 -2.8123 -2.8123 -2.7099 -2.7099 -2.6854 -2.6854 -2.6798 -2.6798 -2.0844 -2.0844 -2.0815 -2.0815 -1.9057 -1.9057 -1.8201 -1.8201 -1.5671 -1.5671 -0.9880 -0.9880 -0.7799 -0.7799 -0.4689 -0.4689 -0.1096 -0.1096 -0.0211 -0.0211 0.1418 0.1418 0.3714 0.3714 1.9907 1.9907 2.0776 2.0776 2.0962 2.0962 2.1999 2.1999 2.3361 2.3361 2.3426 2.3426 5.5579 5.5579 5.9825 5.9825 5.9972 5.9972 6.1277 6.1277 6.1946 6.1946 6.1986 6.1986 6.4422 6.4422 7.0186 7.0186 7.0299 7.0299 8.0004 8.0004 k = 0.3137 0.3137 0.3137 ( 12776 PWs) bands (ev): -16.9482 -16.9482 -16.8521 -16.8521 -16.8518 -16.8518 -15.0473 -15.0473 -15.0292 -15.0292 -15.0288 -15.0288 -12.9969 -12.9969 -6.4404 -6.4404 -6.4360 -6.4360 -6.3379 -6.3379 -3.0145 -3.0145 -2.8511 -2.8511 -2.7545 -2.7545 -2.6970 -2.6970 -2.6960 -2.6960 -2.0885 -2.0885 -2.0850 -2.0850 -1.9039 -1.9039 -1.8432 -1.8432 -1.5438 -1.5438 -0.9556 -0.9556 -0.7504 -0.7504 -0.4612 -0.4612 -0.0834 -0.0834 0.0076 0.0076 0.1473 0.1473 0.3730 0.3730 1.9682 1.9682 2.0655 2.0655 2.0820 2.0820 2.1785 2.1785 2.3179 2.3179 2.3303 2.3303 5.5893 5.5893 6.0010 6.0010 6.0153 6.0153 6.1290 6.1290 6.1949 6.1949 6.1981 6.1981 6.5031 6.5031 7.0417 7.0417 7.0530 7.0530 8.0441 8.0441 k = 0.3235 0.3235 0.3235 ( 12764 PWs) bands (ev): -16.9398 -16.9398 -16.8526 -16.8526 -16.8522 -16.8522 -15.0508 -15.0508 -15.0337 -15.0337 -15.0333 -15.0333 -12.9996 -12.9996 -6.4154 -6.4154 -6.4111 -6.4111 -6.3235 -6.3235 -3.0558 -3.0558 -2.8908 -2.8908 -2.8033 -2.8033 -2.7070 -2.7070 -2.7067 -2.7067 -2.0921 -2.0921 -2.0883 -2.0883 -1.9022 -1.9022 -1.8671 -1.8671 -1.5193 -1.5193 -0.9241 -0.9241 -0.7250 -0.7250 -0.4483 -0.4483 -0.0565 -0.0565 0.0362 0.0362 0.1550 0.1550 0.3761 0.3761 1.9452 1.9452 2.0524 2.0524 2.0670 2.0670 2.1547 2.1547 2.2988 2.2988 2.3164 2.3164 5.6183 5.6183 6.0193 6.0193 6.0332 6.0332 6.1322 6.1322 6.1960 6.1960 6.1986 6.1986 6.5639 6.5639 7.0635 7.0635 7.0748 7.0748 8.0866 8.0866 k = 0.3333 0.3333 0.3333 ( 12746 PWs) bands (ev): -16.9317 -16.9317 -16.8530 -16.8530 -16.8526 -16.8526 -15.0541 -15.0541 -15.0381 -15.0381 -15.0377 -15.0377 -13.0024 -13.0024 -6.3906 -6.3906 -6.3864 -6.3864 -6.3087 -6.3087 -3.0971 -3.0971 -2.9305 -2.9305 -2.8521 -2.8521 -2.7160 -2.7160 -2.7159 -2.7159 -2.0953 -2.0953 -2.0913 -2.0913 -1.9014 -1.9014 -1.8905 -1.8905 -1.4945 -1.4945 -0.8939 -0.8939 -0.7044 -0.7044 -0.4298 -0.4298 -0.0287 -0.0287 0.0645 0.0645 0.1648 0.1648 0.3808 0.3808 1.9217 1.9217 2.0383 2.0383 2.0514 2.0514 2.1287 2.1287 2.2790 2.2790 2.3011 2.3011 5.6451 5.6451 6.0372 6.0372 6.0507 6.0507 6.1370 6.1370 6.1979 6.1979 6.2000 6.2000 6.6243 6.6243 7.0841 7.0841 7.0953 7.0953 8.1276 8.1276 k = 0.3431 0.3431 0.3431 ( 12752 PWs) bands (ev): -16.9238 -16.9238 -16.8534 -16.8534 -16.8530 -16.8530 -15.0572 -15.0572 -15.0424 -15.0424 -15.0420 -15.0420 -13.0054 -13.0054 -6.3661 -6.3661 -6.3620 -6.3620 -6.2937 -6.2937 -3.1380 -3.1380 -2.9698 -2.9698 -2.9001 -2.9001 -2.7242 -2.7242 -2.7242 -2.7242 -2.0982 -2.0982 -2.0942 -2.0942 -1.9166 -1.9166 -1.8979 -1.8979 -1.4699 -1.4699 -0.8650 -0.8650 -0.6886 -0.6886 -0.4064 -0.4064 0.0001 0.0001 0.0926 0.0926 0.1767 0.1767 0.3870 0.3870 1.8975 1.8975 2.0234 2.0234 2.0352 2.0352 2.1006 2.1006 2.2590 2.2590 2.2845 2.2845 5.6697 5.6697 6.0547 6.0547 6.0677 6.0677 6.1433 6.1433 6.2005 6.2005 6.2022 6.2022 6.6839 6.6839 7.1033 7.1033 7.1145 7.1145 8.1670 8.1670 k = 0.3529 0.3529 0.3529 ( 12755 PWs) bands (ev): -16.9162 -16.9162 -16.8537 -16.8537 -16.8533 -16.8533 -15.0601 -15.0601 -15.0465 -15.0465 -15.0461 -15.0461 -13.0083 -13.0083 -6.3419 -6.3419 -6.3381 -6.3381 -6.2785 -6.2785 -3.1784 -3.1784 -3.0083 -3.0083 -2.9468 -2.9468 -2.7319 -2.7319 -2.7318 -2.7318 -2.1007 -2.1007 -2.0968 -2.0968 -1.9397 -1.9397 -1.8967 -1.8967 -1.4458 -1.4458 -0.8376 -0.8376 -0.6769 -0.6769 -0.3793 -0.3793 0.0302 0.0302 0.1203 0.1203 0.1903 0.1903 0.3946 0.3946 1.8721 1.8721 2.0078 2.0078 2.0185 2.0185 2.0710 2.0710 2.2389 2.2389 2.2667 2.2667 5.6922 5.6922 6.0716 6.0716 6.0840 6.0840 6.1510 6.1510 6.2038 6.2038 6.2053 6.2053 6.7422 6.7422 7.1212 7.1212 7.1324 7.1324 8.2047 8.2047 k = 0.3627 0.3627 0.3627 ( 12758 PWs) bands (ev): -16.9090 -16.9090 -16.8541 -16.8541 -16.8537 -16.8537 -15.0628 -15.0628 -15.0504 -15.0504 -15.0500 -15.0500 -13.0114 -13.0114 -6.3184 -6.3184 -6.3148 -6.3148 -6.2633 -6.2633 -3.2178 -3.2178 -3.0457 -3.0457 -2.9920 -2.9920 -2.7391 -2.7391 -2.7389 -2.7389 -2.1030 -2.1030 -2.0993 -2.0993 -1.9623 -1.9623 -1.8954 -1.8954 -1.4227 -1.4227 -0.8119 -0.8119 -0.6685 -0.6685 -0.3499 -0.3499 0.0618 0.0618 0.1475 0.1475 0.2055 0.2055 0.4034 0.4034 1.8453 1.8453 1.9917 1.9917 2.0015 2.0015 2.0407 2.0407 2.2192 2.2192 2.2481 2.2481 5.7128 5.7128 6.0878 6.0878 6.0996 6.0996 6.1598 6.1598 6.2078 6.2078 6.2091 6.2091 6.7988 6.7988 7.1377 7.1377 7.1490 7.1490 8.2405 8.2405 k = 0.3725 0.3725 0.3725 ( 12751 PWs) bands (ev): -16.9021 -16.9021 -16.8544 -16.8544 -16.8540 -16.8540 -15.0652 -15.0652 -15.0542 -15.0542 -15.0537 -15.0537 -13.0144 -13.0144 -6.2956 -6.2956 -6.2921 -6.2921 -6.2482 -6.2482 -3.2560 -3.2560 -3.0818 -3.0818 -3.0354 -3.0354 -2.7457 -2.7457 -2.7456 -2.7456 -2.1049 -2.1049 -2.1015 -2.1015 -1.9839 -1.9839 -1.8940 -1.8940 -1.4007 -1.4007 -0.7878 -0.7878 -0.6623 -0.6623 -0.3198 -0.3198 0.0953 0.0953 0.1742 0.1742 0.2220 0.2220 0.4134 0.4134 1.8166 1.8166 1.9751 1.9751 1.9843 1.9843 2.0105 2.0105 2.1999 2.1999 2.2288 2.2288 5.7315 5.7315 6.1033 6.1033 6.1142 6.1142 6.1694 6.1694 6.2123 6.2123 6.2137 6.2137 6.8536 6.8536 7.1529 7.1529 7.1642 7.1642 8.2743 8.2743 k = 0.3824 0.3824 0.3824 ( 12763 PWs) bands (ev): -16.8956 -16.8956 -16.8547 -16.8547 -16.8542 -16.8542 -15.0674 -15.0674 -15.0577 -15.0577 -15.0572 -15.0572 -13.0173 -13.0173 -6.2736 -6.2736 -6.2704 -6.2704 -6.2333 -6.2333 -3.2928 -3.2928 -3.1162 -3.1162 -3.0767 -3.0767 -2.7519 -2.7519 -2.7517 -2.7517 -2.1066 -2.1066 -2.1035 -2.1035 -2.0043 -2.0043 -1.8928 -1.8928 -1.3799 -1.3799 -0.7656 -0.7656 -0.6578 -0.6578 -0.2901 -0.2901 0.1308 0.1308 0.2002 0.2002 0.2395 0.2395 0.4244 0.4244 1.7853 1.7853 1.9582 1.9582 1.9670 1.9670 1.9814 1.9814 2.1812 2.1812 2.2092 2.2092 5.7484 5.7484 6.1179 6.1179 6.1279 6.1279 6.1797 6.1797 6.2172 6.2172 6.2189 6.2189 6.9060 6.9060 7.1668 7.1668 7.1781 7.1781 8.3060 8.3060 k = 0.3922 0.3922 0.3922 ( 12769 PWs) bands (ev): -16.8895 -16.8895 -16.8549 -16.8549 -16.8545 -16.8545 -15.0694 -15.0694 -15.0610 -15.0610 -15.0605 -15.0605 -13.0202 -13.0202 -6.2525 -6.2525 -6.2497 -6.2497 -6.2188 -6.2188 -3.3279 -3.3279 -3.1489 -3.1489 -3.1156 -3.1156 -2.7576 -2.7576 -2.7574 -2.7574 -2.1081 -2.1081 -2.1053 -2.1053 -2.0235 -2.0235 -1.8916 -1.8916 -1.3606 -1.3606 -0.7452 -0.7452 -0.6545 -0.6545 -0.2618 -0.2618 0.1683 0.1683 0.2252 0.2252 0.2578 0.2578 0.4362 0.4362 1.7512 1.7512 1.9411 1.9411 1.9498 1.9498 1.9544 1.9544 2.1634 2.1634 2.1895 2.1895 5.7636 5.7636 6.1315 6.1315 6.1405 6.1405 6.1902 6.1902 6.2226 6.2226 6.2246 6.2246 6.9557 6.9557 7.1793 7.1793 7.1906 7.1906 8.3355 8.3355 k = 0.4020 0.4020 0.4020 ( 12757 PWs) bands (ev): -16.8839 -16.8839 -16.8552 -16.8552 -16.8547 -16.8547 -15.0712 -15.0712 -15.0641 -15.0641 -15.0636 -15.0636 -13.0230 -13.0230 -6.2327 -6.2327 -6.2301 -6.2301 -6.2049 -6.2049 -3.3610 -3.3610 -3.1795 -3.1795 -3.1520 -3.1520 -2.7628 -2.7628 -2.7626 -2.7626 -2.1094 -2.1094 -2.1070 -2.1070 -2.0412 -2.0412 -1.8905 -1.8905 -1.3429 -1.3429 -0.7268 -0.7268 -0.6518 -0.6518 -0.2355 -0.2355 0.2071 0.2071 0.2492 0.2492 0.2768 0.2768 0.4485 0.4485 1.7143 1.7143 1.9239 1.9239 1.9303 1.9303 1.9328 1.9328 2.1465 2.1465 2.1702 2.1702 5.7773 5.7773 6.1440 6.1440 6.1519 6.1519 6.2007 6.2007 6.2283 6.2283 6.2307 6.2307 7.0025 7.0025 7.1906 7.1906 7.2019 7.2019 8.3627 8.3627 k = 0.4118 0.4118 0.4118 ( 12751 PWs) bands (ev): -16.8787 -16.8787 -16.8554 -16.8554 -16.8549 -16.8549 -15.0728 -15.0728 -15.0669 -15.0669 -15.0664 -15.0664 -13.0256 -13.0256 -6.2141 -6.2141 -6.2118 -6.2118 -6.1917 -6.1917 -3.3919 -3.3919 -3.2079 -3.2079 -3.1857 -3.1857 -2.7675 -2.7675 -2.7674 -2.7674 -2.1105 -2.1105 -2.1085 -2.1085 -2.0575 -2.0575 -1.8895 -1.8895 -1.3267 -1.3267 -0.7102 -0.7102 -0.6497 -0.6497 -0.2116 -0.2116 0.2462 0.2462 0.2717 0.2717 0.2970 0.2970 0.4611 0.4611 1.6749 1.6749 1.9059 1.9059 1.9102 1.9102 1.9162 1.9162 2.1307 2.1307 2.1515 2.1515 5.7895 5.7895 6.1554 6.1554 6.1621 6.1621 6.2109 6.2109 6.2342 6.2342 6.2370 6.2370 7.0460 7.0460 7.2007 7.2007 7.2120 7.2120 8.3875 8.3875 k = 0.4216 0.4216 0.4216 ( 12760 PWs) bands (ev): -16.8741 -16.8741 -16.8556 -16.8556 -16.8551 -16.8551 -15.0742 -15.0742 -15.0695 -15.0695 -15.0689 -15.0689 -13.0281 -13.0281 -6.1970 -6.1970 -6.1950 -6.1950 -6.1793 -6.1793 -3.4204 -3.4204 -3.2339 -3.2339 -3.2163 -3.2163 -2.7718 -2.7718 -2.7716 -2.7716 -2.1115 -2.1115 -2.1098 -2.1098 -2.0723 -2.0723 -1.8886 -1.8886 -1.3122 -1.3122 -0.6955 -0.6955 -0.6480 -0.6480 -0.1902 -0.1902 0.2821 0.2821 0.2926 0.2926 0.3207 0.3207 0.4738 0.4738 1.6337 1.6337 1.8879 1.8879 1.8935 1.8935 1.9002 1.9002 2.1162 2.1162 2.1337 2.1337 5.8002 5.8002 6.1656 6.1656 6.1711 6.1711 6.2205 6.2205 6.2403 6.2403 6.2434 6.2434 7.0859 7.0859 7.2096 7.2096 7.2208 7.2208 8.4099 8.4099 k = 0.4314 0.4314 0.4314 ( 12766 PWs) bands (ev): -16.8699 -16.8699 -16.8557 -16.8557 -16.8553 -16.8553 -15.0754 -15.0754 -15.0717 -15.0717 -15.0712 -15.0712 -13.0303 -13.0303 -6.1814 -6.1814 -6.1798 -6.1798 -6.1679 -6.1679 -3.4462 -3.4462 -3.2573 -3.2573 -3.2439 -3.2439 -2.7755 -2.7755 -2.7754 -2.7754 -2.1123 -2.1123 -2.1110 -2.1110 -2.0854 -2.0854 -1.8878 -1.8878 -1.2994 -1.2994 -0.6827 -0.6827 -0.6466 -0.6466 -0.1715 -0.1715 0.3095 0.3095 0.3117 0.3117 0.3522 0.3522 0.4863 0.4863 1.5918 1.5918 1.8720 1.8720 1.8785 1.8785 1.8850 1.8850 2.1031 2.1031 2.1173 2.1173 5.8095 5.8095 6.1746 6.1746 6.1789 6.1789 6.2292 6.2292 6.2465 6.2465 6.2496 6.2496 7.1219 7.1219 7.2173 7.2173 7.2285 7.2285 8.4297 8.4297 k = 0.4412 0.4412 0.4412 ( 12754 PWs) bands (ev): -16.8663 -16.8663 -16.8559 -16.8559 -16.8554 -16.8554 -15.0765 -15.0765 -15.0737 -15.0737 -15.0732 -15.0732 -13.0323 -13.0323 -6.1676 -6.1676 -6.1662 -6.1662 -6.1577 -6.1577 -3.4690 -3.4690 -3.2780 -3.2780 -3.2681 -3.2681 -2.7788 -2.7788 -2.7787 -2.7787 -2.1129 -2.1129 -2.1119 -2.1119 -2.0969 -2.0969 -1.8871 -1.8871 -1.2883 -1.2883 -0.6718 -0.6718 -0.6454 -0.6454 -0.1553 -0.1553 0.3287 0.3287 0.3288 0.3288 0.3896 0.3896 0.4982 0.4982 1.5503 1.5503 1.8582 1.8582 1.8649 1.8649 1.8709 1.8709 2.0915 2.0915 2.1024 2.1024 5.8175 5.8175 6.1824 6.1824 6.1856 6.1856 6.2368 6.2368 6.2526 6.2526 6.2554 6.2554 7.1536 7.1536 7.2241 7.2241 7.2350 7.2350 8.4469 8.4469 k = 0.4510 0.4510 0.4510 ( 12748 PWs) bands (ev): -16.8632 -16.8632 -16.8560 -16.8560 -16.8555 -16.8555 -15.0773 -15.0773 -15.0754 -15.0754 -15.0749 -15.0749 -13.0341 -13.0341 -6.1557 -6.1557 -6.1546 -6.1546 -6.1488 -6.1488 -3.4887 -3.4887 -3.2957 -3.2957 -3.2889 -3.2889 -2.7816 -2.7816 -2.7815 -2.7815 -2.1135 -2.1135 -2.1128 -2.1128 -2.1066 -2.1066 -1.8865 -1.8865 -1.2789 -1.2789 -0.6626 -0.6626 -0.6443 -0.6443 -0.1417 -0.1417 0.3433 0.3433 0.3438 0.3438 0.4277 0.4277 0.5092 0.5092 1.5107 1.5107 1.8466 1.8466 1.8531 1.8531 1.8583 1.8583 2.0816 2.0816 2.0894 2.0894 5.8243 5.8243 6.1889 6.1889 6.1911 6.1911 6.2432 6.2432 6.2584 6.2584 6.2607 6.2607 7.1808 7.1808 7.2299 7.2299 7.2404 7.2404 8.4615 8.4615 k = 0.4608 0.4608 0.4608 ( 12742 PWs) bands (ev): -16.8606 -16.8606 -16.8560 -16.8560 -16.8556 -16.8556 -15.0781 -15.0781 -15.0768 -15.0768 -15.0763 -15.0763 -13.0355 -13.0355 -6.1458 -6.1458 -6.1449 -6.1449 -6.1413 -6.1413 -3.5052 -3.5052 -3.3104 -3.3104 -3.3061 -3.3061 -2.7839 -2.7839 -2.7839 -2.7839 -2.1147 -2.1147 -2.1139 -2.1139 -2.1134 -2.1134 -1.8860 -1.8860 -1.2713 -1.2713 -0.6551 -0.6551 -0.6435 -0.6435 -0.1307 -0.1307 0.3555 0.3555 0.3558 0.3558 0.4632 0.4632 0.5189 0.5189 1.4746 1.4746 1.8368 1.8368 1.8433 1.8433 1.8474 1.8474 2.0733 2.0733 2.0785 2.0785 5.8297 5.8297 6.1942 6.1942 6.1956 6.1956 6.2484 6.2484 6.2636 6.2636 6.2653 6.2653 7.2029 7.2029 7.2351 7.2351 7.2448 7.2448 8.4734 8.4734 k = 0.4706 0.4706 0.4706 ( 12760 PWs) bands (ev): -16.8586 -16.8586 -16.8561 -16.8561 -16.8557 -16.8557 -15.0787 -15.0787 -15.0778 -15.0778 -15.0774 -15.0774 -13.0367 -13.0367 -6.1380 -6.1380 -6.1372 -6.1372 -6.1353 -6.1353 -3.5181 -3.5181 -3.3220 -3.3220 -3.3196 -3.3196 -2.7857 -2.7857 -2.7857 -2.7857 -2.1210 -2.1210 -2.1142 -2.1142 -2.1139 -2.1139 -1.8856 -1.8856 -1.2653 -1.2653 -0.6494 -0.6494 -0.6429 -0.6429 -0.1221 -0.1221 0.3650 0.3650 0.3652 0.3652 0.4938 0.4938 0.5270 0.5270 1.4436 1.4436 1.8289 1.8289 1.8359 1.8359 1.8385 1.8385 2.0669 2.0669 2.0698 2.0698 5.8340 5.8340 6.1983 6.1983 6.1991 6.1991 6.2524 6.2524 6.2680 6.2680 6.2690 6.2690 7.2192 7.2192 7.2402 7.2402 7.2482 7.2482 8.4828 8.4828 k = 0.4804 0.4804 0.4804 ( 12754 PWs) bands (ev): -16.8573 -16.8573 -16.8561 -16.8561 -16.8557 -16.8557 -15.0793 -15.0793 -15.0784 -15.0784 -15.0782 -15.0782 -13.0375 -13.0375 -6.1324 -6.1324 -6.1317 -6.1317 -6.1309 -6.1309 -3.5274 -3.5274 -3.3303 -3.3303 -3.3292 -3.3292 -2.7870 -2.7870 -2.7869 -2.7869 -2.1255 -2.1255 -2.1144 -2.1144 -2.1143 -2.1143 -1.8854 -1.8854 -1.2611 -1.2611 -0.6453 -0.6453 -0.6424 -0.6424 -0.1160 -0.1160 0.3719 0.3719 0.3720 0.3720 0.5176 0.5176 0.5330 0.5330 1.4197 1.4197 1.8230 1.8230 1.8307 1.8307 1.8320 1.8320 2.0622 2.0622 2.0635 2.0635 5.8370 5.8370 6.2012 6.2012 6.2016 6.2016 6.2552 6.2552 6.2713 6.2713 6.2717 6.2717 7.2290 7.2290 7.2458 7.2458 7.2506 7.2506 8.4894 8.4894 k = 0.4902 0.4902 0.4902 ( 12712 PWs) bands (ev): -16.8566 -16.8566 -16.8559 -16.8559 -16.8558 -16.8558 -15.0796 -15.0796 -15.0787 -15.0787 -15.0787 -15.0787 -13.0380 -13.0380 -6.1291 -6.1291 -6.1283 -6.1283 -6.1282 -6.1282 -3.5331 -3.5331 -3.3354 -3.3354 -3.3351 -3.3351 -2.7877 -2.7877 -2.7877 -2.7877 -2.1282 -2.1282 -2.1146 -2.1146 -2.1145 -2.1145 -1.8852 -1.8852 -1.2585 -1.2585 -0.6429 -0.6429 -0.6422 -0.6422 -0.1123 -0.1123 0.3761 0.3761 0.3761 0.3761 0.5328 0.5328 0.5367 0.5367 1.4045 1.4045 1.8194 1.8194 1.8276 1.8276 1.8279 1.8279 2.0594 2.0594 2.0597 2.0597 5.8388 5.8388 6.2030 6.2030 6.2031 6.2031 6.2569 6.2569 6.2733 6.2733 6.2734 6.2734 7.2335 7.2335 7.2506 7.2506 7.2520 7.2520 8.4934 8.4934 k = 0.5000 0.5000 0.5000 ( 12712 PWs) bands (ev): -16.8565 -16.8565 -16.8558 -16.8558 -16.8558 -16.8558 -15.0798 -15.0798 -15.0788 -15.0788 -15.0788 -15.0788 -13.0382 -13.0382 -6.1280 -6.1280 -6.1272 -6.1272 -6.1272 -6.1272 -3.5350 -3.5350 -3.3370 -3.3370 -3.3370 -3.3370 -2.7880 -2.7880 -2.7880 -2.7880 -2.1291 -2.1291 -2.1146 -2.1146 -2.1146 -2.1146 -1.8851 -1.8851 -1.2577 -1.2577 -0.6421 -0.6421 -0.6421 -0.6421 -0.1111 -0.1111 0.3775 0.3775 0.3775 0.3775 0.5380 0.5380 0.5380 0.5380 1.3992 1.3992 1.8181 1.8181 1.8266 1.8266 1.8266 1.8266 2.0584 2.0584 2.0584 2.0584 5.8394 5.8394 6.2035 6.2035 6.2035 6.2035 6.2575 6.2575 6.2740 6.2740 6.2740 6.2740 7.2347 7.2347 7.2525 7.2525 7.2525 7.2525 8.4947 8.4947 k = 0.5000 0.5000 0.5000 ( 12712 PWs) bands (ev): -16.8565 -16.8565 -16.8558 -16.8558 -16.8558 -16.8558 -15.0798 -15.0798 -15.0788 -15.0788 -15.0788 -15.0788 -13.0382 -13.0382 -6.1280 -6.1280 -6.1272 -6.1272 -6.1272 -6.1272 -3.5350 -3.5350 -3.3370 -3.3370 -3.3370 -3.3370 -2.7880 -2.7880 -2.7880 -2.7880 -2.1291 -2.1291 -2.1146 -2.1146 -2.1146 -2.1146 -1.8851 -1.8851 -1.2577 -1.2577 -0.6421 -0.6421 -0.6421 -0.6421 -0.1111 -0.1111 0.3775 0.3775 0.3775 0.3775 0.5380 0.5380 0.5380 0.5380 1.3992 1.3992 1.8181 1.8181 1.8266 1.8266 1.8266 1.8266 2.0584 2.0584 2.0584 2.0584 5.8394 5.8394 6.2035 6.2035 6.2035 6.2035 6.2575 6.2575 6.2740 6.2740 6.2740 6.2740 7.2347 7.2347 7.2525 7.2525 7.2525 7.2525 8.4947 8.4947 k = 0.4881 0.5000 0.4881 ( 12712 PWs) bands (ev): -16.8566 -16.8566 -16.8559 -16.8559 -16.8557 -16.8557 -15.0796 -15.0796 -15.0788 -15.0788 -15.0786 -15.0786 -13.0380 -13.0380 -6.1293 -6.1293 -6.1287 -6.1287 -6.1274 -6.1274 -3.5331 -3.5331 -3.3359 -3.3359 -3.3346 -3.3346 -2.7878 -2.7878 -2.7876 -2.7876 -2.1282 -2.1282 -2.1146 -2.1146 -2.1145 -2.1145 -1.8852 -1.8852 -1.2585 -1.2585 -0.6428 -0.6428 -0.6422 -0.6422 -0.1123 -0.1123 0.3755 0.3755 0.3767 0.3767 0.5327 0.5327 0.5368 0.5368 1.4044 1.4044 1.8193 1.8193 1.8275 1.8275 1.8280 1.8280 2.0592 2.0592 2.0598 2.0598 5.8388 5.8388 6.2029 6.2029 6.2032 6.2032 6.2570 6.2570 6.2732 6.2732 6.2735 6.2735 7.2335 7.2335 7.2506 7.2506 7.2521 7.2521 8.4934 8.4934 k = 0.4762 0.5000 0.4762 ( 12746 PWs) bands (ev): -16.8571 -16.8571 -16.8564 -16.8564 -16.8556 -16.8556 -15.0795 -15.0795 -15.0784 -15.0784 -15.0780 -15.0780 -13.0376 -13.0376 -6.1338 -6.1338 -6.1332 -6.1332 -6.1276 -6.1276 -3.5276 -3.5276 -3.3324 -3.3324 -3.3274 -3.3274 -2.7875 -2.7875 -2.7865 -2.7865 -2.1256 -2.1256 -2.1146 -2.1146 -2.1141 -2.1141 -1.8854 -1.8854 -1.2610 -1.2610 -0.6452 -0.6452 -0.6426 -0.6426 -0.1159 -0.1159 0.3696 0.3696 0.3744 0.3744 0.5176 0.5176 0.5335 0.5335 1.4193 1.4193 1.8228 1.8228 1.8302 1.8302 1.8324 1.8324 2.0616 2.0616 2.0640 2.0640 5.8371 5.8371 6.2009 6.2009 6.2020 6.2020 6.2552 6.2552 6.2711 6.2711 6.2720 6.2720 7.2293 7.2293 7.2452 7.2452 7.2512 7.2512 8.4895 8.4895 k = 0.4643 0.5000 0.4643 ( 12758 PWs) bands (ev): -16.8581 -16.8581 -16.8571 -16.8571 -16.8552 -16.8552 -15.0796 -15.0796 -15.0776 -15.0776 -15.0768 -15.0768 -13.0367 -13.0367 -6.1414 -6.1414 -6.1406 -6.1406 -6.1279 -6.1279 -3.5187 -3.5187 -3.3265 -3.3265 -3.3153 -3.3153 -2.7868 -2.7868 -2.7846 -2.7846 -2.1216 -2.1216 -2.1142 -2.1142 -2.1135 -2.1135 -1.8856 -1.8856 -1.2652 -1.2652 -0.6490 -0.6490 -0.6432 -0.6432 -0.1219 -0.1219 0.3599 0.3599 0.3707 0.3707 0.4938 0.4938 0.5280 0.5280 1.4427 1.4427 1.8283 1.8283 1.8347 1.8347 1.8398 1.8398 2.0656 2.0656 2.0708 2.0708 5.8341 5.8341 6.1975 6.1975 6.2001 6.2001 6.2524 6.2524 6.2676 6.2676 6.2696 6.2696 7.2207 7.2207 7.2369 7.2369 7.2505 7.2505 8.4830 8.4830 k = 0.4524 0.5000 0.4524 ( 12742 PWs) bands (ev): -16.8596 -16.8596 -16.8579 -16.8579 -16.8546 -16.8546 -15.0798 -15.0798 -15.0763 -15.0763 -15.0752 -15.0752 -13.0356 -13.0356 -6.1519 -6.1519 -6.1507 -6.1507 -6.1282 -6.1282 -3.5067 -3.5067 -3.3179 -3.3179 -3.2987 -3.2987 -2.7860 -2.7860 -2.7820 -2.7820 -2.1180 -2.1180 -2.1129 -2.1129 -2.1113 -2.1113 -1.8860 -1.8860 -1.2711 -1.2711 -0.6543 -0.6543 -0.6440 -0.6440 -0.1302 -0.1302 0.3465 0.3465 0.3655 0.3655 0.4631 0.4631 0.5205 0.5205 1.4730 1.4730 1.8355 1.8355 1.8409 1.8409 1.8502 1.8502 2.0713 2.0713 2.0803 2.0803 5.8299 5.8299 6.1928 6.1928 6.1975 6.1975 6.2482 6.2482 6.2629 6.2629 6.2665 6.2665 7.2070 7.2070 7.2264 7.2264 7.2505 7.2505 8.4741 8.4741 k = 0.4405 0.5000 0.4405 ( 12738 PWs) bands (ev): -16.8616 -16.8616 -16.8590 -16.8590 -16.8539 -16.8539 -15.0802 -15.0802 -15.0746 -15.0746 -15.0731 -15.0731 -13.0342 -13.0342 -6.1652 -6.1652 -6.1634 -6.1634 -6.1286 -6.1286 -3.4922 -3.4922 -3.3064 -3.3064 -3.2775 -3.2775 -2.7849 -2.7849 -2.7786 -2.7786 -2.1171 -2.1171 -2.1118 -2.1118 -2.1043 -2.1043 -1.8865 -1.8865 -1.2787 -1.2787 -0.6612 -0.6612 -0.6452 -0.6452 -0.1410 -0.1410 0.3296 0.3296 0.3588 0.3588 0.4277 0.4277 0.5113 0.5113 1.5081 1.5081 1.8443 1.8443 1.8486 1.8486 1.8634 1.8634 2.0786 2.0786 2.0923 2.0923 5.8246 5.8246 6.1866 6.1866 6.1942 6.1942 6.2427 6.2427 6.2571 6.2571 6.2627 6.2627 7.1883 7.1883 7.2138 7.2138 7.2509 7.2509 8.4627 8.4627 k = 0.4286 0.5000 0.4286 ( 12750 PWs) bands (ev): -16.8640 -16.8640 -16.8603 -16.8603 -16.8530 -16.8530 -15.0806 -15.0806 -15.0726 -15.0726 -15.0706 -15.0706 -13.0324 -13.0324 -6.1810 -6.1810 -6.1785 -6.1785 -6.1291 -6.1291 -3.4756 -3.4756 -3.2917 -3.2917 -3.2521 -3.2521 -2.7836 -2.7836 -2.7746 -2.7746 -2.1172 -2.1172 -2.1104 -2.1104 -2.0945 -2.0945 -1.8871 -1.8871 -1.2880 -1.2880 -0.6696 -0.6696 -0.6468 -0.6468 -0.1540 -0.1540 0.3092 0.3092 0.3505 0.3505 0.3894 0.3894 0.5005 0.5005 1.5466 1.5466 1.8545 1.8545 1.8579 1.8579 1.8791 1.8791 2.0877 2.0877 2.1067 2.1067 5.8181 5.8181 6.1791 6.1791 6.1901 6.1901 6.2357 6.2357 6.2505 6.2505 6.2586 6.2586 7.1651 7.1651 7.1988 7.1988 7.2517 7.2517 8.4490 8.4490 k = 0.4167 0.5000 0.4167 ( 12754 PWs) bands (ev): -16.8667 -16.8667 -16.8619 -16.8619 -16.8519 -16.8519 -15.0810 -15.0810 -15.0703 -15.0703 -15.0676 -15.0676 -13.0304 -13.0304 -6.1993 -6.1993 -6.1958 -6.1958 -6.1297 -6.1297 -3.4577 -3.4577 -3.2733 -3.2733 -3.2227 -3.2227 -2.7821 -2.7821 -2.7698 -2.7698 -2.1176 -2.1176 -2.1088 -2.1088 -2.0825 -2.0825 -1.8877 -1.8877 -1.2992 -1.2992 -0.6794 -0.6794 -0.6488 -0.6488 -0.1694 -0.1694 0.2852 0.2852 0.3399 0.3399 0.3510 0.3510 0.4884 0.4884 1.5870 1.5870 1.8659 1.8659 1.8686 1.8686 1.8968 1.8968 2.0985 2.0985 2.1234 2.1234 5.8103 5.8103 6.1703 6.1703 6.1855 6.1855 6.2273 6.2273 6.2431 6.2431 6.2541 6.2541 7.1381 7.1381 7.1815 7.1815 7.2527 7.2527 8.4331 8.4331 k = 0.4048 0.5000 0.4048 ( 12774 PWs) bands (ev): -16.8699 -16.8699 -16.8636 -16.8636 -16.8507 -16.8507 -15.0816 -15.0816 -15.0676 -15.0676 -15.0642 -15.0642 -13.0282 -13.0282 -6.2197 -6.2197 -6.2150 -6.2150 -6.1303 -6.1303 -3.4392 -3.4392 -3.2508 -3.2508 -3.1895 -3.1895 -2.7805 -2.7805 -2.7643 -2.7643 -2.1182 -2.1182 -2.1070 -2.1070 -2.0687 -2.0687 -1.8885 -1.8885 -1.3121 -1.3121 -0.6907 -0.6907 -0.6512 -0.6512 -0.1868 -0.1868 0.2575 0.2575 0.3100 0.3100 0.3314 0.3314 0.4752 0.4752 1.6282 1.6282 1.8781 1.8781 1.8808 1.8808 1.9163 1.9163 2.1110 2.1110 2.1421 2.1421 5.8014 5.8014 6.1602 6.1602 6.1802 6.1802 6.2175 6.2175 6.2350 6.2350 6.2495 6.2495 7.1076 7.1076 7.1616 7.1616 7.2536 7.2536 8.4152 8.4152 k = 0.3929 0.5000 0.3929 ( 12774 PWs) bands (ev): -16.8734 -16.8734 -16.8656 -16.8656 -16.8494 -16.8494 -15.0821 -15.0821 -15.0646 -15.0646 -15.0604 -15.0604 -13.0258 -13.0258 -6.2420 -6.2420 -6.2359 -6.2359 -6.1311 -6.1311 -3.4205 -3.4205 -3.2242 -3.2242 -3.1527 -3.1527 -2.7787 -2.7787 -2.7582 -2.7582 -2.1189 -2.1189 -2.1048 -2.1048 -2.0531 -2.0531 -1.8893 -1.8893 -1.3268 -1.3268 -0.7035 -0.7035 -0.6543 -0.6543 -0.2062 -0.2062 0.2255 0.2255 0.2741 0.2741 0.3189 0.3189 0.4612 0.4612 1.6693 1.6693 1.8907 1.8907 1.8946 1.8946 1.9371 1.9371 2.1252 2.1252 2.1626 2.1626 5.7913 5.7913 6.1488 6.1488 6.1744 6.1744 6.2065 6.2065 6.2263 6.2263 6.2449 6.2449 7.0740 7.0740 7.1393 7.1393 7.2545 7.2545 8.3955 8.3955 k = 0.3810 0.5000 0.3810 ( 12778 PWs) bands (ev): -16.8773 -16.8773 -16.8677 -16.8677 -16.8479 -16.8479 -15.0828 -15.0828 -15.0612 -15.0612 -15.0563 -15.0563 -13.0232 -13.0232 -6.2659 -6.2659 -6.2582 -6.2582 -6.1319 -6.1319 -3.4020 -3.4020 -3.1934 -3.1934 -3.1128 -3.1128 -2.7769 -2.7769 -2.7514 -2.7514 -2.1198 -2.1198 -2.1023 -2.1023 -2.0356 -2.0356 -1.8902 -1.8902 -1.3434 -1.3434 -0.7178 -0.7178 -0.6581 -0.6581 -0.2273 -0.2273 0.1899 0.1899 0.2411 0.2411 0.3055 0.3055 0.4466 0.4466 1.7098 1.7098 1.9038 1.9038 1.9095 1.9095 1.9590 1.9590 2.1409 2.1409 2.1848 2.1848 5.7800 5.7800 6.1362 6.1362 6.1681 6.1681 6.1944 6.1944 6.2172 6.2172 6.2402 6.2402 7.0379 7.0379 7.1147 7.1147 7.2552 7.2552 8.3742 8.3742 k = 0.3690 0.5000 0.3690 ( 12786 PWs) bands (ev): -16.8814 -16.8814 -16.8701 -16.8701 -16.8463 -16.8463 -15.0834 -15.0834 -15.0576 -15.0576 -15.0518 -15.0518 -13.0204 -13.0204 -6.2914 -6.2914 -6.2817 -6.2817 -6.1327 -6.1327 -3.3839 -3.3839 -3.1586 -3.1586 -3.0700 -3.0700 -2.7749 -2.7749 -2.7440 -2.7440 -2.1207 -2.1207 -2.0994 -2.0994 -2.0164 -2.0164 -1.8911 -1.8911 -1.3617 -1.3617 -0.7334 -0.7334 -0.6627 -0.6627 -0.2498 -0.2498 0.1518 0.1518 0.2108 0.2108 0.2911 0.2911 0.4314 0.4314 1.7491 1.7491 1.9171 1.9171 1.9254 1.9254 1.9815 1.9815 2.1579 2.1579 2.2084 2.2084 5.7674 5.7674 6.1226 6.1226 6.1613 6.1613 6.1814 6.1814 6.2078 6.2078 6.2356 6.2356 6.9994 6.9994 7.0877 7.0877 7.2556 7.2556 8.3514 8.3514 k = 0.3571 0.5000 0.3571 ( 12782 PWs) bands (ev): -16.8858 -16.8858 -16.8726 -16.8726 -16.8446 -16.8446 -15.0841 -15.0841 -15.0536 -15.0536 -15.0471 -15.0471 -13.0175 -13.0175 -6.3180 -6.3180 -6.3062 -6.3062 -6.1336 -6.1336 -3.3662 -3.3662 -3.1203 -3.1203 -3.0247 -3.0247 -2.7729 -2.7729 -2.7359 -2.7359 -2.1218 -2.1218 -2.0962 -2.0962 -1.9955 -1.9955 -1.8921 -1.8921 -1.3818 -1.3818 -0.7506 -0.7506 -0.6682 -0.6682 -0.2731 -0.2731 0.1129 0.1129 0.1824 0.1824 0.2756 0.2756 0.4160 0.4160 1.7871 1.7871 1.9307 1.9307 1.9420 1.9420 2.0044 2.0044 2.1759 2.1759 2.2332 2.2332 5.7537 5.7537 6.1081 6.1081 6.1539 6.1539 6.1676 6.1676 6.1985 6.1985 6.2311 6.2311 6.9591 6.9591 7.0586 7.0586 7.2555 7.2555 8.3274 8.3274 k = 0.3452 0.5000 0.3452 ( 12766 PWs) bands (ev): -16.8905 -16.8905 -16.8753 -16.8753 -16.8428 -16.8428 -15.0848 -15.0848 -15.0494 -15.0494 -15.0421 -15.0421 -13.0146 -13.0146 -6.3456 -6.3456 -6.3313 -6.3313 -6.1346 -6.1346 -3.3487 -3.3487 -3.0788 -3.0788 -2.9772 -2.9772 -2.7708 -2.7708 -2.7272 -2.7272 -2.1230 -2.1230 -2.0925 -2.0925 -1.9730 -1.9730 -1.8931 -1.8931 -1.4036 -1.4036 -0.7691 -0.7691 -0.6750 -0.6750 -0.2969 -0.2969 0.0738 0.0738 0.1556 0.1556 0.2591 0.2591 0.4004 0.4004 1.8236 1.8236 1.9445 1.9445 1.9592 1.9592 2.0275 2.0275 2.1946 2.1946 2.2587 2.2587 5.7388 5.7388 6.0927 6.0927 6.1456 6.1456 6.1534 6.1534 6.1893 6.1893 6.2268 6.2268 6.9174 6.9174 7.0275 7.0275 7.2550 7.2550 8.3024 8.3024 k = 0.3333 0.5000 0.3333 ( 12778 PWs) bands (ev): -16.8954 -16.8954 -16.8781 -16.8781 -16.8409 -16.8409 -15.0855 -15.0855 -15.0449 -15.0449 -15.0368 -15.0368 -13.0115 -13.0115 -6.3740 -6.3740 -6.3569 -6.3569 -6.1356 -6.1356 -3.3313 -3.3313 -3.0348 -3.0348 -2.9278 -2.9278 -2.7686 -2.7686 -2.7178 -2.7178 -2.1243 -2.1243 -2.0884 -2.0884 -1.9489 -1.9489 -1.8942 -1.8942 -1.4269 -1.4269 -0.7890 -0.7890 -0.6830 -0.6830 -0.3205 -0.3205 0.0351 0.0351 0.1304 0.1304 0.2418 0.2418 0.3848 0.3848 1.8585 1.8585 1.9584 1.9584 1.9769 1.9769 2.0504 2.0504 2.2134 2.2134 2.2849 2.2849 5.7227 5.7227 6.0766 6.0766 6.1341 6.1341 6.1413 6.1413 6.1806 6.1806 6.2226 6.2226 6.8746 6.8746 6.9944 6.9944 7.2538 7.2538 8.2766 8.2766 k = 0.3214 0.5000 0.3214 ( 12754 PWs) bands (ev): -16.9004 -16.9004 -16.8811 -16.8811 -16.8388 -16.8388 -15.0862 -15.0862 -15.0401 -15.0401 -15.0314 -15.0314 -13.0085 -13.0085 -6.4029 -6.4029 -6.3827 -6.3827 -6.1367 -6.1367 -3.3139 -3.3139 -2.9889 -2.9889 -2.8770 -2.8770 -2.7664 -2.7664 -2.7077 -2.7077 -2.1257 -2.1257 -2.0839 -2.0839 -1.9235 -1.9235 -1.8952 -1.8952 -1.4517 -1.4517 -0.8102 -0.8102 -0.6924 -0.6924 -0.3436 -0.3436 -0.0032 -0.0032 0.1068 0.1068 0.2237 0.2237 0.3693 0.3693 1.8916 1.8916 1.9726 1.9726 1.9951 1.9951 2.0730 2.0730 2.2320 2.2320 2.3113 2.3113 5.7054 5.7054 6.0600 6.0600 6.1184 6.1184 6.1323 6.1323 6.1726 6.1726 6.2185 6.2185 6.8311 6.8311 6.9597 6.9597 7.2518 7.2518 8.2504 8.2504 k = 0.3095 0.5000 0.3095 ( 12754 PWs) bands (ev): -16.9057 -16.9057 -16.8841 -16.8841 -16.8367 -16.8367 -15.0870 -15.0870 -15.0351 -15.0351 -15.0258 -15.0258 -13.0054 -13.0054 -6.4321 -6.4321 -6.4086 -6.4086 -6.1378 -6.1378 -3.2964 -3.2964 -2.9416 -2.9416 -2.8254 -2.8254 -2.7638 -2.7638 -2.6967 -2.6967 -2.1273 -2.1273 -2.0788 -2.0788 -1.8998 -1.8998 -1.8930 -1.8930 -1.4777 -1.4777 -0.8326 -0.8326 -0.7035 -0.7035 -0.3656 -0.3656 -0.0409 -0.0409 0.0851 0.0851 0.2050 0.2050 0.3541 0.3541 1.9227 1.9227 1.9872 1.9872 2.0137 2.0137 2.0950 2.0950 2.2499 2.2499 2.3379 2.3379 5.6869 5.6869 6.0429 6.0429 6.1011 6.1011 6.1238 6.1238 6.1656 6.1656 6.2147 6.2147 6.7874 6.7874 6.9235 6.9235 7.2491 7.2491 8.2239 8.2239 k = 0.2976 0.5000 0.2976 ( 12760 PWs) bands (ev): -16.9110 -16.9110 -16.8873 -16.8873 -16.8346 -16.8346 -15.0877 -15.0877 -15.0300 -15.0300 -15.0200 -15.0200 -13.0024 -13.0024 -6.4616 -6.4616 -6.4344 -6.4344 -6.1389 -6.1389 -3.2788 -3.2788 -2.8937 -2.8937 -2.7757 -2.7757 -2.7588 -2.7588 -2.6842 -2.6842 -2.1291 -2.1291 -2.0733 -2.0733 -1.8985 -1.8985 -1.8674 -1.8674 -1.5046 -1.5046 -0.8561 -0.8561 -0.7162 -0.7162 -0.3862 -0.3862 -0.0781 -0.0781 0.0651 0.0651 0.1858 0.1858 0.3392 0.3392 1.9509 1.9509 2.0029 2.0029 2.0327 2.0327 2.1164 2.1164 2.2665 2.2665 2.3645 2.3645 5.6673 5.6673 6.0256 6.0256 6.0827 6.0827 6.1153 6.1153 6.1597 6.1597 6.2111 6.2111 6.7437 6.7437 6.8860 6.8860 7.2453 7.2453 8.1974 8.1974 k = 0.2857 0.5000 0.2857 ( 12752 PWs) bands (ev): -16.9164 -16.9164 -16.8906 -16.8906 -16.8324 -16.8324 -15.0884 -15.0884 -15.0246 -15.0246 -15.0142 -15.0142 -12.9994 -12.9994 -6.4910 -6.4910 -6.4598 -6.4598 -6.1400 -6.1400 -3.2609 -3.2609 -2.8465 -2.8465 -2.7599 -2.7599 -2.7206 -2.7206 -2.6687 -2.6687 -2.1310 -2.1310 -2.0671 -2.0671 -1.8997 -1.8997 -1.8382 -1.8382 -1.5321 -1.5321 -0.8805 -0.8805 -0.7305 -0.7305 -0.4053 -0.4053 -0.1145 -0.1145 0.0468 0.0468 0.1662 0.1662 0.3250 0.3250 1.9755 1.9755 2.0204 2.0204 2.0522 2.0522 2.1368 2.1368 2.2815 2.2815 2.3909 2.3909 5.6465 5.6465 6.0080 6.0080 6.0635 6.0635 6.1068 6.1068 6.1551 6.1551 6.2078 6.2078 6.7005 6.7005 6.8475 6.8475 7.2406 7.2406 8.1712 8.1712 k = 0.2738 0.5000 0.2738 ( 12756 PWs) bands (ev): -16.9219 -16.9219 -16.8939 -16.8939 -16.8301 -16.8301 -15.0891 -15.0891 -15.0190 -15.0190 -15.0083 -15.0083 -12.9965 -12.9965 -6.5202 -6.5202 -6.4848 -6.4848 -6.1412 -6.1412 -3.2428 -3.2428 -2.8032 -2.8032 -2.7534 -2.7534 -2.6787 -2.6787 -2.6428 -2.6428 -2.1331 -2.1331 -2.0604 -2.0604 -1.9011 -1.9011 -1.8081 -1.8081 -1.5598 -1.5598 -0.9056 -0.9056 -0.7465 -0.7465 -0.4228 -0.4228 -0.1500 -0.1500 0.0302 0.0302 0.1462 0.1462 0.3114 0.3114 1.9957 1.9957 2.0400 2.0400 2.0724 2.0724 2.1564 2.1564 2.2944 2.2944 2.4171 2.4171 5.6248 5.6248 5.9905 5.9905 6.0435 6.0435 6.0982 6.0982 6.1519 6.1519 6.2047 6.2047 6.6582 6.6582 6.8082 6.8082 7.2348 7.2348 8.1455 8.1455 k = 0.2619 0.5000 0.2619 ( 12764 PWs) bands (ev): -16.9274 -16.9274 -16.8973 -16.8973 -16.8278 -16.8278 -15.0897 -15.0897 -15.0134 -15.0134 -15.0023 -15.0023 -12.9938 -12.9938 -6.5492 -6.5492 -6.5093 -6.5093 -6.1423 -6.1423 -3.2245 -3.2245 -2.7745 -2.7745 -2.7357 -2.7357 -2.6513 -2.6513 -2.5987 -2.5987 -2.1353 -2.1353 -2.0531 -2.0531 -1.9026 -1.9026 -1.7777 -1.7777 -1.5868 -1.5868 -0.9312 -0.9312 -0.7641 -0.7641 -0.4388 -0.4388 -0.1847 -0.1847 0.0150 0.0150 0.1259 0.1259 0.2988 0.2988 2.0122 2.0122 2.0608 2.0608 2.0935 2.0935 2.1748 2.1748 2.3050 2.3050 2.4430 2.4430 5.6020 5.6020 5.9730 5.9730 6.0227 6.0227 6.0896 6.0896 6.1502 6.1502 6.2017 6.2017 6.6169 6.6169 6.7684 6.7684 7.2278 7.2278 8.1205 8.1205 k = 0.2500 0.5000 0.2500 ( 12734 PWs) bands (ev): -16.9330 -16.9330 -16.9007 -16.9007 -16.8255 -16.8255 -15.0904 -15.0904 -15.0076 -15.0076 -14.9964 -14.9964 -12.9912 -12.9912 -6.5776 -6.5776 -6.5331 -6.5331 -6.1435 -6.1435 -3.2060 -3.2060 -2.7652 -2.7652 -2.7054 -2.7054 -2.6248 -2.6248 -2.5478 -2.5478 -2.1376 -2.1376 -2.0450 -2.0450 -1.9043 -1.9043 -1.7480 -1.7480 -1.6119 -1.6119 -0.9571 -0.9571 -0.7829 -0.7829 -0.4534 -0.4534 -0.2184 -0.2184 0.0012 0.0012 0.1055 0.1055 0.2874 0.2874 2.0261 2.0261 2.0813 2.0813 2.1156 2.1156 2.1921 2.1921 2.3132 2.3132 2.4686 2.4686 5.5783 5.5783 5.9557 5.9557 6.0013 6.0013 6.0810 6.0810 6.1499 6.1499 6.1990 6.1990 6.5772 6.5772 6.7284 6.7284 7.2197 7.2197 8.0965 8.0965 k = 0.2381 0.5000 0.2381 ( 12762 PWs) bands (ev): -16.9384 -16.9384 -16.9041 -16.9041 -16.8232 -16.8232 -15.0910 -15.0910 -15.0018 -15.0018 -14.9905 -14.9905 -12.9887 -12.9887 -6.6055 -6.6055 -6.5561 -6.5561 -6.1446 -6.1446 -3.1873 -3.1873 -2.7616 -2.7616 -2.6789 -2.6789 -2.5912 -2.5912 -2.4961 -2.4961 -2.1400 -2.1400 -2.0364 -2.0364 -1.9062 -1.9062 -1.7224 -1.7224 -1.6314 -1.6314 -0.9830 -0.9830 -0.8030 -0.8030 -0.4669 -0.4669 -0.2510 -0.2510 -0.0115 -0.0115 0.0849 0.0849 0.2774 0.2774 2.0384 2.0384 2.1006 2.1006 2.1382 2.1382 2.2082 2.2082 2.3190 2.3190 2.4938 2.4938 5.5537 5.5537 5.9387 5.9387 5.9793 5.9793 6.0724 6.0724 6.1511 6.1511 6.1963 6.1963 6.5392 6.5392 6.6885 6.6885 7.2104 7.2104 8.0735 8.0735 k = 0.2262 0.5000 0.2262 ( 12782 PWs) bands (ev): -16.9439 -16.9439 -16.9075 -16.9075 -16.8210 -16.8210 -15.0916 -15.0916 -14.9959 -14.9959 -14.9847 -14.9847 -12.9863 -12.9863 -6.6327 -6.6327 -6.5782 -6.5782 -6.1458 -6.1458 -3.1685 -3.1685 -2.7595 -2.7595 -2.6594 -2.6594 -2.5510 -2.5510 -2.4450 -2.4450 -2.1424 -2.1424 -2.0271 -2.0271 -1.9082 -1.9082 -1.7106 -1.7106 -1.6356 -1.6356 -1.0087 -1.0087 -0.8239 -0.8239 -0.4793 -0.4793 -0.2824 -0.2824 -0.0235 -0.0235 0.0644 0.0644 0.2690 0.2690 2.0495 2.0495 2.1186 2.1186 2.1604 2.1604 2.2229 2.2229 2.3227 2.3227 2.5186 2.5186 5.5285 5.5285 5.9221 5.9221 5.9569 5.9569 6.0639 6.0639 6.1538 6.1538 6.1936 6.1936 6.5033 6.5033 6.6490 6.6490 7.2000 7.2000 8.0517 8.0517 k = 0.2143 0.5000 0.2143 ( 12776 PWs) bands (ev): -16.9492 -16.9492 -16.9108 -16.9108 -16.8187 -16.8187 -15.0921 -15.0921 -14.9900 -14.9900 -14.9789 -14.9789 -12.9842 -12.9842 -6.6590 -6.6590 -6.5994 -6.5994 -6.1469 -6.1469 -3.1496 -3.1496 -2.7580 -2.7580 -2.6443 -2.6443 -2.5081 -2.5081 -2.3954 -2.3954 -2.1443 -2.1443 -2.0171 -2.0171 -1.9105 -1.9105 -1.7188 -1.7188 -1.6177 -1.6177 -1.0340 -1.0340 -0.8453 -0.8453 -0.4910 -0.4910 -0.3126 -0.3126 -0.0349 -0.0349 0.0439 0.0439 0.2626 0.2626 2.0596 2.0596 2.1354 2.1354 2.1813 2.1813 2.2364 2.2364 2.3249 2.3249 2.5430 2.5430 5.5027 5.5027 5.9059 5.9059 5.9341 5.9341 6.0555 6.0555 6.1577 6.1577 6.1908 6.1908 6.4697 6.4697 6.6101 6.6101 7.1886 7.1886 8.0313 8.0313 k = 0.2024 0.5000 0.2024 ( 12764 PWs) bands (ev): -16.9544 -16.9544 -16.9142 -16.9142 -16.8164 -16.8164 -15.0926 -15.0926 -14.9841 -14.9841 -14.9733 -14.9733 -12.9822 -12.9822 -6.6845 -6.6845 -6.6195 -6.6195 -6.1480 -6.1480 -3.1307 -3.1307 -2.7569 -2.7569 -2.6315 -2.6315 -2.4654 -2.4654 -2.3478 -2.3478 -2.1454 -2.1454 -2.0064 -2.0064 -1.9129 -1.9129 -1.7353 -1.7353 -1.5894 -1.5894 -1.0586 -1.0586 -0.8670 -0.8670 -0.5021 -0.5021 -0.3417 -0.3417 -0.0461 -0.0461 0.0236 0.0236 0.2584 0.2584 2.0687 2.0687 2.1512 2.1512 2.1997 2.1997 2.2484 2.2484 2.3267 2.3267 2.5668 2.5668 5.4765 5.4765 5.8902 5.8902 5.9112 5.9112 6.0472 6.0472 6.1627 6.1627 6.1877 6.1877 6.4389 6.4389 6.5722 6.5722 7.1761 7.1761 8.0124 8.0124 k = 0.1905 0.5000 0.1905 ( 12768 PWs) bands (ev): -16.9595 -16.9595 -16.9174 -16.9174 -16.8143 -16.8143 -15.0931 -15.0931 -14.9783 -14.9783 -14.9679 -14.9679 -12.9804 -12.9804 -6.7089 -6.7089 -6.6387 -6.6387 -6.1490 -6.1490 -3.1120 -3.1120 -2.7561 -2.7561 -2.6202 -2.6202 -2.4248 -2.4248 -2.3031 -2.3031 -2.1448 -2.1448 -1.9953 -1.9953 -1.9153 -1.9153 -1.7526 -1.7526 -1.5582 -1.5582 -1.0823 -1.0823 -0.8885 -0.8885 -0.5127 -0.5127 -0.3696 -0.3696 -0.0574 -0.0574 0.0035 0.0035 0.2566 0.2566 2.0768 2.0768 2.1660 2.1660 2.2140 2.2140 2.2589 2.2589 2.3297 2.3297 2.5899 2.5899 5.4502 5.4502 5.8744 5.8744 5.8889 5.8889 6.0390 6.0390 6.1685 6.1685 6.1842 6.1842 6.4109 6.4109 6.5356 6.5356 7.1628 7.1628 7.9949 7.9949 k = 0.1786 0.5000 0.1786 ( 12756 PWs) bands (ev): -16.9643 -16.9643 -16.9206 -16.9206 -16.8121 -16.8121 -15.0935 -15.0935 -14.9726 -14.9726 -14.9627 -14.9627 -12.9788 -12.9788 -6.7322 -6.7322 -6.6567 -6.6567 -6.1501 -6.1501 -3.0933 -3.0933 -2.7555 -2.7555 -2.6099 -2.6099 -2.3883 -2.3883 -2.2622 -2.2622 -2.1410 -2.1410 -1.9838 -1.9838 -1.9175 -1.9175 -1.7681 -1.7681 -1.5266 -1.5266 -1.1048 -1.1048 -0.9092 -0.9092 -0.5229 -0.5229 -0.3965 -0.3965 -0.0690 -0.0690 -0.0162 -0.0162 0.2572 0.2572 2.0837 2.0837 2.1800 2.1800 2.2229 2.2229 2.2678 2.2678 2.3356 2.3356 2.6123 2.6123 5.4238 5.4238 5.8570 5.8570 5.8689 5.8689 6.0310 6.0310 6.1744 6.1744 6.1809 6.1809 6.3862 6.3862 6.5006 6.5006 7.1489 7.1489 7.9789 7.9789 k = 0.1667 0.5000 0.1667 ( 12740 PWs) bands (ev): -16.9690 -16.9690 -16.9236 -16.9236 -16.8101 -16.8101 -15.0940 -15.0940 -14.9671 -14.9671 -14.9576 -14.9576 -12.9773 -12.9773 -6.7543 -6.7543 -6.6736 -6.6736 -6.1511 -6.1511 -3.0750 -3.0750 -2.7551 -2.7551 -2.6004 -2.6004 -2.3575 -2.3575 -2.2267 -2.2267 -2.1317 -2.1317 -1.9722 -1.9722 -1.9188 -1.9188 -1.7810 -1.7810 -1.4960 -1.4960 -1.1260 -1.1260 -0.9286 -0.9286 -0.5327 -0.5327 -0.4225 -0.4225 -0.0810 -0.0810 -0.0353 -0.0353 0.2602 0.2602 2.0890 2.0890 2.1931 2.1931 2.2258 2.2258 2.2756 2.2756 2.3451 2.3451 2.6339 2.6339 5.3977 5.3977 5.8363 5.8363 5.8531 5.8531 6.0231 6.0231 6.1736 6.1736 6.1839 6.1839 6.3648 6.3648 6.4675 6.4675 7.1344 7.1344 7.9645 7.9645 k = 0.1548 0.5000 0.1548 ( 12754 PWs) bands (ev): -16.9735 -16.9735 -16.9265 -16.9265 -16.8081 -16.8081 -15.0943 -15.0943 -14.9617 -14.9617 -14.9528 -14.9528 -12.9761 -12.9761 -6.7752 -6.7752 -6.6893 -6.6893 -6.1520 -6.1520 -3.0570 -3.0570 -2.7549 -2.7549 -2.5917 -2.5917 -2.3344 -2.3344 -2.1977 -2.1977 -2.1149 -2.1149 -1.9612 -1.9612 -1.9183 -1.9183 -1.7909 -1.7909 -1.4673 -1.4673 -1.1456 -1.1456 -0.9459 -0.9459 -0.5423 -0.5423 -0.4476 -0.4476 -0.0938 -0.0938 -0.0535 -0.0535 0.2656 0.2656 2.0923 2.0923 2.2052 2.2052 2.2238 2.2238 2.2823 2.2823 2.3578 2.3578 2.6546 2.6546 5.3721 5.3721 5.8140 5.8140 5.8400 5.8400 6.0153 6.0153 6.1680 6.1680 6.1909 6.1909 6.3468 6.3468 6.4365 6.4365 7.1196 7.1196 7.9514 7.9514 k = 0.1429 0.5000 0.1429 ( 12766 PWs) bands (ev): -16.9777 -16.9777 -16.9293 -16.9293 -16.8062 -16.8062 -15.0947 -15.0947 -14.9565 -14.9565 -14.9483 -14.9483 -12.9750 -12.9750 -6.7948 -6.7948 -6.7039 -6.7039 -6.1529 -6.1529 -3.0394 -3.0394 -2.7549 -2.7549 -2.5838 -2.5838 -2.3198 -2.3198 -2.1746 -2.1746 -2.0908 -2.0908 -1.9516 -1.9516 -1.9148 -1.9148 -1.7979 -1.7979 -1.4415 -1.4415 -1.1632 -1.1632 -0.9603 -0.9603 -0.5516 -0.5516 -0.4720 -0.4720 -0.1073 -0.1073 -0.0708 -0.0708 0.2732 0.2732 2.0930 2.0930 2.2152 2.2152 2.2201 2.2201 2.2881 2.2881 2.3721 2.3721 2.6743 2.6743 5.3472 5.3472 5.7916 5.7916 5.8284 5.8284 6.0078 6.0078 6.1611 6.1611 6.1981 6.1981 6.3322 6.3322 6.4081 6.4081 7.1047 7.1047 7.9398 7.9398 k = 0.1310 0.5000 0.1310 ( 12770 PWs) bands (ev): -16.9817 -16.9817 -16.9320 -16.9320 -16.8045 -16.8045 -15.0950 -15.0950 -14.9516 -14.9516 -14.9440 -14.9440 -12.9740 -12.9740 -6.8130 -6.8130 -6.7173 -6.7173 -6.1537 -6.1537 -3.0224 -3.0224 -2.7551 -2.7551 -2.5765 -2.5765 -2.3131 -2.3131 -2.1555 -2.1555 -2.0628 -2.0628 -1.9439 -1.9439 -1.9075 -1.9075 -1.8020 -1.8020 -1.4198 -1.4198 -1.1786 -1.1786 -0.9707 -0.9707 -0.5606 -0.5606 -0.4959 -0.4959 -0.1214 -0.1214 -0.0869 -0.0869 0.2826 0.2826 2.0906 2.0906 2.2124 2.2124 2.2278 2.2278 2.2929 2.2929 2.3871 2.3871 2.6928 2.6928 5.3233 5.3233 5.7697 5.7697 5.8180 5.8180 6.0005 6.0005 6.1535 6.1535 6.2046 6.2046 6.3207 6.3207 6.3827 6.3827 7.0900 7.0900 7.9294 7.9294 k = 0.1190 0.5000 0.1190 ( 12786 PWs) bands (ev): -16.9853 -16.9853 -16.9344 -16.9344 -16.8028 -16.8028 -15.0952 -15.0952 -14.9470 -14.9470 -14.9401 -14.9401 -12.9732 -12.9732 -6.8298 -6.8298 -6.7295 -6.7295 -6.1545 -6.1545 -3.0062 -3.0062 -2.7554 -2.7554 -2.5700 -2.5700 -2.3123 -2.3123 -2.1394 -2.1394 -2.0337 -2.0337 -1.9377 -1.9377 -1.8969 -1.8969 -1.8037 -1.8037 -1.4032 -1.4032 -1.1917 -1.1917 -0.9763 -0.9763 -0.5693 -0.5693 -0.5193 -0.5193 -0.1360 -0.1360 -0.1016 -0.1016 0.2935 0.2935 2.0847 2.0847 2.2077 2.2077 2.2374 2.2374 2.2968 2.2968 2.4019 2.4019 2.7102 2.7102 5.3006 5.3006 5.7486 5.7486 5.8085 5.8085 5.9934 5.9934 6.1453 6.1453 6.2099 6.2099 6.3120 6.3120 6.3607 6.3607 7.0756 7.0756 7.9204 7.9204 k = 0.1071 0.5000 0.1071 ( 12790 PWs) bands (ev): -16.9887 -16.9887 -16.9367 -16.9367 -16.8013 -16.8013 -15.0955 -15.0955 -14.9427 -14.9427 -14.9365 -14.9365 -12.9725 -12.9725 -6.8451 -6.8451 -6.7405 -6.7405 -6.1552 -6.1552 -2.9908 -2.9908 -2.7559 -2.7559 -2.5642 -2.5642 -2.3154 -2.3154 -2.1264 -2.1264 -2.0049 -2.0049 -1.9321 -1.9321 -1.8845 -1.8845 -1.8031 -1.8031 -1.3922 -1.3922 -1.2023 -1.2023 -0.9762 -0.9762 -0.5780 -0.5780 -0.5422 -0.5422 -0.1508 -0.1508 -0.1151 -0.1151 0.3054 0.3054 2.0755 2.0755 2.2045 2.2045 2.2462 2.2462 2.2998 2.2998 2.4161 2.4161 2.7262 2.7262 5.2793 5.2793 5.7286 5.7286 5.8001 5.8001 5.9866 5.9866 6.1370 6.1370 6.2133 6.2133 6.3056 6.3056 6.3427 6.3427 7.0618 7.0618 7.9124 7.9124 k = 0.0952 0.5000 0.0952 ( 12792 PWs) bands (ev): -16.9918 -16.9918 -16.9387 -16.9387 -16.7999 -16.7999 -15.0957 -15.0957 -14.9387 -14.9387 -14.9332 -14.9332 -12.9720 -12.9720 -6.8590 -6.8590 -6.7503 -6.7503 -6.1559 -6.1559 -2.9764 -2.9764 -2.7565 -2.7565 -2.5592 -2.5592 -2.3208 -2.3208 -2.1166 -2.1166 -1.9774 -1.9774 -1.9266 -1.9266 -1.8713 -1.8713 -1.8008 -1.8008 -1.3869 -1.3869 -1.2107 -1.2107 -0.9701 -0.9701 -0.5872 -0.5872 -0.5639 -0.5639 -0.1652 -0.1652 -0.1274 -0.1274 0.3180 0.3180 2.0636 2.0636 2.2030 2.2030 2.2543 2.2543 2.3021 2.3021 2.4292 2.4292 2.7409 2.7409 5.2597 5.2597 5.7099 5.7099 5.7926 5.7926 5.9803 5.9803 6.1290 6.1290 6.2142 6.2142 6.3011 6.3011 6.3293 6.3293 7.0487 7.0487 7.9056 7.9056 k = 0.0833 0.5000 0.0833 ( 12776 PWs) bands (ev): -16.9945 -16.9945 -16.9406 -16.9406 -16.7986 -16.7986 -15.0959 -15.0959 -14.9352 -14.9352 -14.9302 -14.9302 -12.9715 -12.9715 -6.8712 -6.8712 -6.7590 -6.7590 -6.1564 -6.1564 -2.9631 -2.9631 -2.7572 -2.7572 -2.5550 -2.5550 -2.3272 -2.3272 -2.1095 -2.1095 -1.9515 -1.9515 -1.9213 -1.9213 -1.8583 -1.8583 -1.7974 -1.7974 -1.3864 -1.3864 -1.2174 -1.2174 -0.9581 -0.9581 -0.6002 -0.6002 -0.5816 -0.5816 -0.1788 -0.1788 -0.1385 -0.1385 0.3307 0.3307 2.0501 2.0501 2.2029 2.2029 2.2617 2.2617 2.3035 2.3035 2.4411 2.4411 2.7540 2.7540 5.2419 5.2419 5.6927 5.6927 5.7861 5.7861 5.9743 5.9743 6.1214 6.1214 6.2122 6.2122 6.2981 6.2981 6.3204 6.3204 7.0367 7.0367 7.8998 7.8998 k = 0.0714 0.5000 0.0714 ( 12760 PWs) bands (ev): -16.9969 -16.9969 -16.9422 -16.9422 -16.7976 -16.7976 -15.0960 -15.0960 -14.9320 -14.9320 -14.9276 -14.9276 -12.9712 -12.9712 -6.8819 -6.8819 -6.7665 -6.7665 -6.1570 -6.1570 -2.9510 -2.9510 -2.7580 -2.7580 -2.5514 -2.5514 -2.3340 -2.3340 -2.1048 -2.1048 -1.9290 -1.9290 -1.9150 -1.9150 -1.8459 -1.8459 -1.7937 -1.7937 -1.3894 -1.3894 -1.2229 -1.2229 -0.9411 -0.9411 -0.6201 -0.6201 -0.5920 -0.5920 -0.1914 -0.1914 -0.1484 -0.1484 0.3430 0.3430 2.0361 2.0361 2.2036 2.2036 2.2682 2.2682 2.3044 2.3044 2.4517 2.4517 2.7656 2.7656 5.2261 5.2261 5.6774 5.6774 5.7806 5.7806 5.9689 5.9689 6.1147 6.1147 6.2078 6.2078 6.2964 6.2964 6.3155 6.3155 7.0259 7.0259 7.8949 7.8949 k = 0.0595 0.5000 0.0595 ( 12774 PWs) bands (ev): -16.9990 -16.9990 -16.9436 -16.9436 -16.7966 -16.7966 -15.0962 -15.0962 -14.9293 -14.9293 -14.9254 -14.9254 -12.9709 -12.9709 -6.8910 -6.8910 -6.7728 -6.7728 -6.1574 -6.1574 -2.9405 -2.9405 -2.7588 -2.7588 -2.5486 -2.5486 -2.3403 -2.3403 -2.1017 -2.1017 -1.9175 -1.9175 -1.9002 -1.9002 -1.8350 -1.8350 -1.7905 -1.7905 -1.3943 -1.3943 -1.2274 -1.2274 -0.9202 -0.9202 -0.6432 -0.6432 -0.5987 -0.5987 -0.2026 -0.2026 -0.1570 -0.1570 0.3545 0.3545 2.0225 2.0225 2.2047 2.2047 2.2740 2.2740 2.3047 2.3047 2.4607 2.4607 2.7756 2.7756 5.2124 5.2124 5.6640 5.6640 5.7759 5.7759 5.9642 5.9642 6.1088 6.1088 6.2020 6.2020 6.2956 6.2956 6.3134 6.3134 7.0164 7.0164 7.8908 7.8908 k = 0.0476 0.5000 0.0476 ( 12776 PWs) bands (ev): -17.0007 -17.0007 -16.9448 -16.9448 -16.7958 -16.7958 -15.0963 -15.0963 -14.9271 -14.9271 -14.9236 -14.9236 -12.9707 -12.9707 -6.8985 -6.8985 -6.7779 -6.7779 -6.1577 -6.1577 -2.9316 -2.9316 -2.7595 -2.7595 -2.5464 -2.5464 -2.3460 -2.3460 -2.0997 -2.0997 -1.9137 -1.9137 -1.8806 -1.8806 -1.8259 -1.8259 -1.7884 -1.7884 -1.4000 -1.4000 -1.2310 -1.2310 -0.8965 -0.8965 -0.6676 -0.6676 -0.6038 -0.6038 -0.2120 -0.2120 -0.1642 -0.1642 0.3646 0.3646 2.0103 2.0103 2.2060 2.2060 2.2790 2.2790 2.3045 2.3045 2.4682 2.4682 2.7838 2.7838 5.2011 5.2011 5.6528 5.6528 5.7721 5.7721 5.9601 5.9601 6.1039 6.1039 6.1959 6.1959 6.2953 6.2953 6.3131 6.3131 7.0084 7.0084 7.8876 7.8876 k = 0.0357 0.5000 0.0357 ( 12764 PWs) bands (ev): -17.0020 -17.0020 -16.9457 -16.9457 -16.7952 -16.7952 -15.0964 -15.0964 -14.9253 -14.9253 -14.9222 -14.9222 -12.9705 -12.9705 -6.9043 -6.9043 -6.7819 -6.7819 -6.1580 -6.1580 -2.9244 -2.9244 -2.7602 -2.7602 -2.5448 -2.5448 -2.3506 -2.3506 -2.0985 -2.0985 -1.9115 -1.9115 -1.8622 -1.8622 -1.8191 -1.8191 -1.7878 -1.7878 -1.4053 -1.4053 -1.2339 -1.2339 -0.8715 -0.8715 -0.6923 -0.6923 -0.6076 -0.6076 -0.2196 -0.2196 -0.1699 -0.1699 0.3730 0.3730 2.0001 2.0001 2.2071 2.2071 2.2833 2.2833 2.3039 2.3039 2.4741 2.4741 2.7903 2.7903 5.1922 5.1922 5.6439 5.6439 5.7692 5.7692 5.9569 5.9569 6.1001 6.1001 6.1904 6.1904 6.2952 6.2952 6.3137 6.3137 7.0021 7.0021 7.8852 7.8852 k = 0.0238 0.5000 0.0238 ( 12760 PWs) bands (ev): -17.0029 -17.0029 -16.9463 -16.9463 -16.7948 -16.7948 -15.0964 -15.0964 -14.9240 -14.9240 -14.9212 -14.9212 -12.9704 -12.9704 -6.9085 -6.9085 -6.7848 -6.7848 -6.1582 -6.1582 -2.9192 -2.9192 -2.7607 -2.7607 -2.5437 -2.5437 -2.3540 -2.3540 -2.0979 -2.0979 -1.9101 -1.9101 -1.8461 -1.8461 -1.8153 -1.8153 -1.7887 -1.7887 -1.4095 -1.4095 -1.2360 -1.2360 -0.8464 -0.8464 -0.7167 -0.7167 -0.6103 -0.6103 -0.2252 -0.2252 -0.1741 -0.1741 0.3792 0.3792 1.9925 1.9925 2.2081 2.2081 2.2867 2.2867 2.3031 2.3031 2.4783 2.4783 2.7950 2.7950 5.1857 5.1857 5.6375 5.6375 5.7671 5.7671 5.9545 5.9545 6.0974 6.0974 6.1862 6.1862 6.2953 6.2953 6.3146 6.3146 6.9975 6.9975 7.8834 7.8834 k = 0.0119 0.5000 0.0119 ( 12760 PWs) bands (ev): -17.0035 -17.0035 -16.9467 -16.9467 -16.7945 -16.7945 -15.0965 -15.0965 -14.9233 -14.9233 -14.9206 -14.9206 -12.9704 -12.9704 -6.9110 -6.9110 -6.7865 -6.7865 -6.1583 -6.1583 -2.9160 -2.9160 -2.7611 -2.7611 -2.5430 -2.5430 -2.3561 -2.3561 -2.0975 -2.0975 -1.9094 -1.9094 -1.8334 -1.8334 -1.8149 -1.8149 -1.7901 -1.7901 -1.4123 -1.4123 -1.2372 -1.2372 -0.8242 -0.8242 -0.7383 -0.7383 -0.6120 -0.6120 -0.2285 -0.2285 -0.1766 -0.1766 0.3831 0.3831 1.9877 1.9877 2.2087 2.2087 2.2890 2.2890 2.3023 2.3023 2.4809 2.4809 2.7978 2.7978 5.1819 5.1819 5.6336 5.6336 5.7659 5.7659 5.9530 5.9530 6.0958 6.0958 6.1835 6.1835 6.2953 6.2953 6.3153 6.3153 6.9947 6.9947 7.8824 7.8824 k = 0.0000 0.5000-0.0000 ( 12732 PWs) bands (ev): -17.0037 -17.0037 -16.9468 -16.9468 -16.7944 -16.7944 -15.0965 -15.0965 -14.9230 -14.9230 -14.9204 -14.9204 -12.9703 -12.9703 -6.9119 -6.9119 -6.7871 -6.7871 -6.1584 -6.1584 -2.9149 -2.9149 -2.7612 -2.7612 -2.5428 -2.5428 -2.3568 -2.3568 -2.0974 -2.0974 -1.9091 -1.9091 -1.8273 -1.8273 -1.8164 -1.8164 -1.7907 -1.7907 -1.4132 -1.4132 -1.2376 -1.2376 -0.8134 -0.8134 -0.7488 -0.7488 -0.6125 -0.6125 -0.2297 -0.2297 -0.1775 -0.1775 0.3844 0.3844 1.9861 1.9861 2.2089 2.2089 2.2898 2.2898 2.3020 2.3020 2.4817 2.4817 2.7987 2.7987 5.1806 5.1806 5.6323 5.6323 5.7655 5.7655 5.9525 5.9525 6.0952 6.0952 6.1826 6.1826 6.2953 6.2953 6.3155 6.3155 6.9938 6.9938 7.8821 7.8821 k = 0.5000 0.5000-0.0000 ( 12656 PWs) bands (ev): -16.9301 -16.9301 -16.8640 -16.8640 -16.8628 -16.8628 -15.1137 -15.1137 -15.0669 -15.0669 -14.9211 -14.9211 -12.9794 -12.9794 -6.9095 -6.9095 -6.1596 -6.1596 -6.1344 -6.1344 -3.2858 -3.2858 -2.9913 -2.9913 -2.7877 -2.7877 -2.6729 -2.6729 -2.1555 -2.1555 -2.1083 -2.1083 -1.9307 -1.9307 -1.8892 -1.8892 -1.7981 -1.7981 -1.2049 -1.2049 -1.1310 -1.1310 -0.9221 -0.9221 -0.6430 -0.6430 -0.4528 -0.4528 -0.2442 -0.2442 0.3358 0.3358 0.3399 0.3399 1.8404 1.8404 1.9497 1.9497 2.2634 2.2634 2.2949 2.2949 2.3189 2.3189 2.8671 2.8671 5.5946 5.5946 5.8841 5.8841 5.9225 5.9225 5.9277 5.9277 6.1231 6.1231 6.1596 6.1596 6.5681 6.5681 6.9734 6.9734 7.1764 7.1764 8.2453 8.2453 k = 0.5000 0.5000 0.0167 ( 12688 PWs) bands (ev): -16.9299 -16.9299 -16.8640 -16.8640 -16.8628 -16.8628 -15.1136 -15.1136 -15.0669 -15.0669 -14.9215 -14.9215 -12.9795 -12.9795 -6.9078 -6.9078 -6.1595 -6.1595 -6.1344 -6.1344 -3.2863 -3.2863 -2.9930 -2.9930 -2.7877 -2.7877 -2.6731 -2.6731 -2.1554 -2.1554 -2.1084 -2.1084 -1.9340 -1.9340 -1.8894 -1.8894 -1.7978 -1.7978 -1.2185 -1.2185 -1.1276 -1.1276 -0.9079 -0.9079 -0.6431 -0.6431 -0.4523 -0.4523 -0.2428 -0.2428 0.3359 0.3359 0.3403 0.3403 1.8401 1.8401 1.9494 1.9494 2.2624 2.2624 2.2938 2.2938 2.3181 2.3181 2.8649 2.8649 5.5953 5.5953 5.8852 5.8852 5.9243 5.9243 5.9285 5.9285 6.1233 6.1233 6.1598 6.1598 6.5690 6.5690 6.9740 6.9740 7.1766 7.1766 8.2456 8.2456 k = 0.5000 0.5000 0.0333 ( 12700 PWs) bands (ev): -16.9293 -16.9293 -16.8639 -16.8639 -16.8627 -16.8627 -15.1133 -15.1133 -15.0670 -15.0670 -14.9228 -14.9228 -12.9800 -12.9800 -6.9027 -6.9027 -6.1593 -6.1593 -6.1343 -6.1343 -3.2877 -3.2877 -2.9981 -2.9981 -2.7877 -2.7877 -2.6736 -2.6736 -2.1550 -2.1550 -2.1085 -2.1085 -1.9447 -1.9447 -1.8899 -1.8899 -1.7957 -1.7957 -1.2531 -1.2531 -1.1179 -1.1179 -0.8714 -0.8714 -0.6436 -0.6436 -0.4508 -0.4508 -0.2387 -0.2387 0.3362 0.3362 0.3416 0.3416 1.8394 1.8394 1.9484 1.9484 2.2594 2.2594 2.2905 2.2905 2.3154 2.3154 2.8584 2.8584 5.5976 5.5976 5.8885 5.8885 5.9296 5.9296 5.9308 5.9308 6.1239 6.1239 6.1604 6.1604 6.5718 6.5718 6.9760 6.9760 7.1775 7.1775 8.2467 8.2467 k = 0.5000 0.5000 0.0500 ( 12708 PWs) bands (ev): -16.9284 -16.9284 -16.8638 -16.8638 -16.8626 -16.8626 -15.1129 -15.1129 -15.0672 -15.0672 -14.9249 -14.9249 -12.9808 -12.9808 -6.8943 -6.8943 -6.1589 -6.1589 -6.1342 -6.1342 -3.2901 -3.2901 -3.0064 -3.0064 -2.7876 -2.7876 -2.6745 -2.6745 -2.1544 -2.1544 -2.1086 -2.1086 -1.9647 -1.9647 -1.8906 -1.8906 -1.7895 -1.7895 -1.2988 -1.2988 -1.1026 -1.1026 -0.8226 -0.8226 -0.6441 -0.6441 -0.4483 -0.4483 -0.2320 -0.2320 0.3368 0.3368 0.3436 0.3436 1.8381 1.8381 1.9469 1.9469 2.2544 2.2544 2.2850 2.2850 2.3111 2.3111 2.8475 2.8475 5.6013 5.6013 5.8941 5.8941 5.9343 5.9343 5.9387 5.9387 6.1250 6.1250 6.1613 6.1613 6.5766 6.5766 6.9792 6.9792 7.1788 7.1788 8.2484 8.2484 k = 0.5000 0.5000 0.0667 ( 12704 PWs) bands (ev): -16.9271 -16.9271 -16.8636 -16.8636 -16.8625 -16.8625 -15.1122 -15.1122 -15.0674 -15.0674 -14.9278 -14.9278 -12.9819 -12.9819 -6.8826 -6.8826 -6.1583 -6.1583 -6.1341 -6.1341 -3.2933 -3.2933 -3.0175 -3.0175 -2.7876 -2.7876 -2.6757 -2.6757 -2.1535 -2.1535 -2.1088 -2.1088 -1.9946 -1.9946 -1.8913 -1.8913 -1.7778 -1.7778 -1.3496 -1.3496 -1.0830 -1.0830 -0.7678 -0.7678 -0.6444 -0.6444 -0.4447 -0.4447 -0.2228 -0.2228 0.3375 0.3375 0.3465 0.3465 1.8363 1.8363 1.9447 1.9447 2.2475 2.2475 2.2774 2.2774 2.3053 2.3053 2.8325 2.8325 5.6065 5.6065 5.9017 5.9017 5.9395 5.9395 5.9507 5.9507 6.1265 6.1265 6.1626 6.1626 6.5835 6.5835 6.9837 6.9837 7.1806 7.1806 8.2509 8.2509 k = 0.5000 0.5000 0.0833 ( 12704 PWs) bands (ev): -16.9254 -16.9254 -16.8634 -16.8634 -16.8623 -16.8623 -15.1114 -15.1114 -15.0677 -15.0677 -14.9316 -14.9316 -12.9833 -12.9833 -6.8677 -6.8677 -6.1575 -6.1575 -6.1339 -6.1339 -3.2974 -3.2974 -3.0310 -3.0310 -2.7876 -2.7876 -2.6773 -2.6773 -2.1524 -2.1524 -2.1091 -2.1091 -2.0338 -2.0338 -1.8919 -1.8919 -1.7607 -1.7607 -1.4023 -1.4023 -1.0600 -1.0600 -0.7119 -0.7119 -0.6426 -0.6426 -0.4399 -0.4399 -0.2110 -0.2110 0.3384 0.3384 0.3501 0.3501 1.8339 1.8339 1.9420 1.9420 2.2387 2.2387 2.2675 2.2675 2.2980 2.2980 2.8133 2.8133 5.6130 5.6130 5.9113 5.9113 5.9460 5.9460 5.9657 5.9657 6.1284 6.1284 6.1643 6.1643 6.5925 6.5925 6.9895 6.9895 7.1829 7.1829 8.2541 8.2541 k = 0.5000 0.5000 0.1000 ( 12736 PWs) bands (ev): -16.9234 -16.9234 -16.8632 -16.8632 -16.8621 -16.8621 -15.1105 -15.1105 -15.0680 -15.0680 -14.9360 -14.9360 -12.9849 -12.9849 -6.8496 -6.8496 -6.1566 -6.1566 -6.1337 -6.1337 -3.3024 -3.3024 -3.0467 -3.0467 -2.7876 -2.7876 -2.6792 -2.6792 -2.1511 -2.1511 -2.1095 -2.1095 -2.0807 -2.0807 -1.8924 -1.8924 -1.7390 -1.7390 -1.4554 -1.4554 -1.0348 -1.0348 -0.6693 -0.6693 -0.6259 -0.6259 -0.4340 -0.4340 -0.1970 -0.1970 0.3395 0.3395 0.3545 0.3545 1.8309 1.8309 1.9387 1.9387 2.2280 2.2280 2.2556 2.2556 2.2894 2.2894 2.7902 2.7902 5.6207 5.6207 5.9228 5.9228 5.9539 5.9539 5.9831 5.9831 6.1306 6.1306 6.1664 6.1664 6.6039 6.6039 6.9965 6.9965 7.1857 7.1857 8.2581 8.2581 k = 0.5000 0.5000 0.1167 ( 12736 PWs) bands (ev): -16.9211 -16.9211 -16.8630 -16.8630 -16.8619 -16.8619 -15.1094 -15.1094 -15.0684 -15.0684 -14.9411 -14.9411 -12.9868 -12.9868 -6.8285 -6.8285 -6.1556 -6.1556 -6.1335 -6.1335 -3.3082 -3.3082 -3.0640 -3.0640 -2.7875 -2.7875 -2.6816 -2.6816 -2.1496 -2.1496 -2.1346 -2.1346 -2.1093 -2.1093 -1.8927 -1.8927 -1.7136 -1.7136 -1.5081 -1.5081 -1.0081 -1.0081 -0.6596 -0.6596 -0.5754 -0.5754 -0.4267 -0.4267 -0.1808 -0.1808 0.3408 0.3408 0.3596 0.3596 1.8273 1.8273 1.9348 1.9348 2.2156 2.2156 2.2416 2.2416 2.2796 2.2796 2.7634 2.7634 5.6296 5.6296 5.9359 5.9359 5.9630 5.9630 6.0025 6.0025 6.1332 6.1332 6.1689 6.1689 6.6178 6.6178 7.0046 7.0046 7.1887 7.1887 8.2628 8.2628 k = 0.5000 0.5000 0.1333 ( 12736 PWs) bands (ev): -16.9185 -16.9185 -16.8627 -16.8627 -16.8616 -16.8616 -15.1081 -15.1081 -15.0689 -15.0689 -14.9469 -14.9469 -12.9890 -12.9890 -6.8044 -6.8044 -6.1545 -6.1545 -6.1333 -6.1333 -3.3147 -3.3147 -3.0824 -3.0824 -2.7875 -2.7875 -2.6844 -2.6844 -2.1929 -2.1929 -2.1478 -2.1478 -2.1098 -2.1098 -1.8930 -1.8930 -1.6856 -1.6856 -1.5595 -1.5595 -0.9807 -0.9807 -0.6590 -0.6590 -0.5154 -0.5154 -0.4180 -0.4180 -0.1624 -0.1624 0.3423 0.3423 0.3654 0.3654 1.8230 1.8230 1.9305 1.9305 2.2015 2.2015 2.2258 2.2258 2.2689 2.2689 2.7331 2.7331 5.6394 5.6394 5.9505 5.9505 5.9734 5.9734 6.0233 6.0233 6.1362 6.1362 6.1719 6.1719 6.6344 6.6344 7.0138 7.0138 7.1921 7.1921 8.2683 8.2683 k = 0.5000 0.5000 0.1500 ( 12752 PWs) bands (ev): -16.9156 -16.9156 -16.8624 -16.8624 -16.8614 -16.8614 -15.1067 -15.1067 -15.0694 -15.0694 -14.9533 -14.9533 -12.9914 -12.9914 -6.7776 -6.7776 -6.1532 -6.1532 -6.1330 -6.1330 -3.3220 -3.3220 -3.1017 -3.1017 -2.7875 -2.7875 -2.6876 -2.6876 -2.2554 -2.2554 -2.1460 -2.1460 -2.1101 -2.1101 -1.8932 -1.8932 -1.6560 -1.6560 -1.6091 -1.6091 -0.9530 -0.9530 -0.6599 -0.6599 -0.4541 -0.4541 -0.4078 -0.4078 -0.1420 -0.1420 0.3439 0.3439 0.3718 0.3718 1.8179 1.8179 1.9257 1.9257 2.1858 2.1858 2.2082 2.2082 2.2572 2.2572 2.6995 2.6995 5.6502 5.6502 5.9663 5.9663 5.9849 5.9849 6.0449 6.0449 6.1395 6.1395 6.1752 6.1752 6.6538 6.6538 7.0241 7.0241 7.1957 7.1957 8.2746 8.2746 k = 0.5000 0.5000 0.1667 ( 12744 PWs) bands (ev): -16.9125 -16.9125 -16.8620 -16.8620 -16.8611 -16.8611 -15.1052 -15.1052 -15.0699 -15.0699 -14.9602 -14.9602 -12.9939 -12.9939 -6.7482 -6.7482 -6.1518 -6.1518 -6.1327 -6.1327 -3.3300 -3.3300 -3.1213 -3.1213 -2.7875 -2.7875 -2.6913 -2.6913 -2.3211 -2.3211 -2.1441 -2.1441 -2.1105 -2.1105 -1.8933 -1.8933 -1.6597 -1.6597 -1.6225 -1.6225 -0.9255 -0.9255 -0.6611 -0.6611 -0.3984 -0.3984 -0.3906 -0.3906 -0.1197 -0.1197 0.3457 0.3457 0.3788 0.3788 1.8120 1.8120 1.9205 1.9205 2.1686 2.1686 2.1891 2.1891 2.2448 2.2448 2.6629 2.6629 5.6617 5.6617 5.9828 5.9828 5.9977 5.9977 6.0668 6.0668 6.1431 6.1431 6.1791 6.1791 6.6763 6.6763 7.0353 7.0353 7.1995 7.1995 8.2818 8.2818 k = 0.5000 0.5000 0.1833 ( 12752 PWs) bands (ev): -16.9091 -16.9091 -16.8616 -16.8616 -16.8608 -16.8608 -15.1036 -15.1036 -15.0705 -15.0705 -14.9675 -14.9675 -12.9967 -12.9967 -6.7164 -6.7164 -6.1503 -6.1503 -6.1324 -6.1324 -3.3386 -3.3386 -3.1410 -3.1410 -2.7875 -2.7875 -2.6954 -2.6954 -2.3894 -2.3894 -2.1420 -2.1420 -2.1108 -2.1108 -1.8933 -1.8933 -1.7053 -1.7053 -1.5912 -1.5912 -0.8986 -0.8986 -0.6622 -0.6622 -0.3837 -0.3837 -0.3313 -0.3313 -0.0954 -0.0954 0.3476 0.3476 0.3865 0.3865 1.8050 1.8050 1.9150 1.9150 2.1501 2.1501 2.1686 2.1686 2.2318 2.2318 2.6238 2.6238 5.6738 5.6738 5.9997 5.9997 6.0120 6.0120 6.0883 6.0883 6.1470 6.1470 6.1833 6.1833 6.7018 6.7018 7.0474 7.0474 7.2033 7.2033 8.2899 8.2899 k = 0.5000 0.5000 0.2000 ( 12752 PWs) bands (ev): -16.9056 -16.9056 -16.8613 -16.8613 -16.8604 -16.8604 -15.1020 -15.1020 -15.0711 -15.0711 -14.9751 -14.9751 -12.9995 -12.9995 -6.6824 -6.6824 -6.1488 -6.1488 -6.1320 -6.1320 -3.3479 -3.3479 -3.1605 -3.1605 -2.7875 -2.7875 -2.7000 -2.7000 -2.4594 -2.4594 -2.1400 -2.1400 -2.1112 -2.1112 -1.8933 -1.8933 -1.7495 -1.7495 -1.5592 -1.5592 -0.8724 -0.8724 -0.6630 -0.6630 -0.3692 -0.3692 -0.2714 -0.2714 -0.0692 -0.0692 0.3496 0.3496 0.3946 0.3946 1.7970 1.7970 1.9091 1.9091 2.1304 2.1304 2.1469 2.1469 2.2183 2.2183 2.5824 2.5824 5.6863 5.6863 6.0160 6.0160 6.0281 6.0281 6.1090 6.1090 6.1512 6.1512 6.1879 6.1879 6.7303 6.7303 7.0602 7.0602 7.2073 7.2073 8.2988 8.2988 k = 0.5000 0.5000 0.2167 ( 12740 PWs) bands (ev): -16.9019 -16.9019 -16.8609 -16.8609 -16.8601 -16.8601 -15.1002 -15.1002 -15.0717 -15.0717 -14.9831 -14.9831 -13.0025 -13.0025 -6.6464 -6.6464 -6.1472 -6.1472 -6.1317 -6.1317 -3.3576 -3.3576 -3.1794 -3.1794 -2.7875 -2.7875 -2.7051 -2.7051 -2.5306 -2.5306 -2.1378 -2.1378 -2.1115 -2.1115 -1.8933 -1.8933 -1.7914 -1.7914 -1.5275 -1.5275 -0.8473 -0.8473 -0.6636 -0.6636 -0.3533 -0.3533 -0.2126 -0.2126 -0.0412 -0.0412 0.3517 0.3517 0.4033 0.4033 1.7876 1.7876 1.9029 1.9029 2.1096 2.1096 2.1243 2.1243 2.2046 2.2046 2.5392 2.5392 5.6991 5.6991 6.0316 6.0316 6.0460 6.0460 6.1283 6.1283 6.1560 6.1560 6.1930 6.1930 6.7617 6.7617 7.0737 7.0737 7.2112 7.2112 8.3086 8.3086 k = 0.5000 0.5000 0.2333 ( 12756 PWs) bands (ev): -16.8981 -16.8981 -16.8605 -16.8605 -16.8597 -16.8597 -15.0985 -15.0985 -15.0724 -15.0724 -14.9912 -14.9912 -13.0055 -13.0055 -6.6088 -6.6088 -6.1455 -6.1455 -6.1313 -6.1313 -3.3680 -3.3680 -3.1976 -3.1976 -2.7875 -2.7875 -2.7107 -2.7107 -2.6023 -2.6023 -2.1357 -2.1357 -2.1119 -2.1119 -1.8934 -1.8934 -1.8307 -1.8307 -1.4967 -1.4967 -0.8233 -0.8233 -0.6638 -0.6638 -0.3361 -0.3361 -0.1552 -0.1552 -0.0112 -0.0112 0.3538 0.3538 0.4124 0.4124 1.7767 1.7767 1.8966 1.8966 2.0880 2.0880 2.1009 2.1009 2.1907 2.1907 2.4947 2.4947 5.7120 5.7120 6.0468 6.0468 6.0650 6.0650 6.1449 6.1449 6.1620 6.1620 6.1983 6.1983 6.7957 6.7957 7.0877 7.0877 7.2151 7.2151 8.3192 8.3192 k = 0.5000 0.5000 0.2500 ( 12752 PWs) bands (ev): -16.8943 -16.8943 -16.8600 -16.8600 -16.8594 -16.8594 -15.0966 -15.0966 -15.0730 -15.0730 -14.9995 -14.9995 -13.0086 -13.0086 -6.5698 -6.5698 -6.1438 -6.1438 -6.1310 -6.1310 -3.3787 -3.3787 -3.2150 -3.2150 -2.7876 -2.7876 -2.7176 -2.7176 -2.6731 -2.6731 -2.1336 -2.1336 -2.1123 -2.1123 -1.8943 -1.8943 -1.8667 -1.8667 -1.4671 -1.4671 -0.8007 -0.8007 -0.6636 -0.6636 -0.3178 -0.3178 -0.0994 -0.0994 0.0208 0.0208 0.3560 0.3560 0.4219 0.4219 1.7641 1.7641 1.8901 1.8901 2.0657 2.0657 2.0770 2.0770 2.1769 2.1769 2.4494 2.4494 5.7249 5.7249 6.0618 6.0618 6.0844 6.0844 6.1566 6.1566 6.1715 6.1715 6.2040 6.2040 6.8319 6.8319 7.1019 7.1019 7.2188 7.2188 8.3307 8.3307 k = 0.5000 0.5000 0.2667 ( 12752 PWs) bands (ev): -16.8904 -16.8904 -16.8596 -16.8596 -16.8590 -16.8590 -15.0948 -15.0948 -15.0736 -15.0736 -15.0077 -15.0077 -13.0117 -13.0117 -6.5298 -6.5298 -6.1422 -6.1422 -6.1306 -6.1306 -3.3899 -3.3899 -3.2312 -3.2312 -2.7879 -2.7879 -2.7493 -2.7493 -2.7187 -2.7187 -2.1316 -2.1316 -2.1127 -2.1127 -1.9070 -1.9070 -1.8882 -1.8882 -1.4390 -1.4390 -0.7795 -0.7795 -0.6629 -0.6629 -0.2985 -0.2985 -0.0455 -0.0455 0.0547 0.0547 0.3583 0.3583 0.4318 0.4318 1.7495 1.7495 1.8835 1.8835 2.0430 2.0430 2.0528 2.0528 2.1633 2.1633 2.4041 2.4041 5.7377 5.7377 6.0766 6.0766 6.1039 6.1039 6.1636 6.1636 6.1842 6.1842 6.2099 6.2099 6.8699 6.8699 7.1164 7.1164 7.2224 7.2224 8.3430 8.3430 k = 0.5000 0.5000 0.2833 ( 12752 PWs) bands (ev): -16.8866 -16.8866 -16.8592 -16.8592 -16.8586 -16.8586 -15.0930 -15.0930 -15.0743 -15.0743 -15.0159 -15.0159 -13.0147 -13.0147 -6.4891 -6.4891 -6.1405 -6.1405 -6.1302 -6.1302 -3.4013 -3.4013 -3.2464 -3.2464 -2.8187 -2.8187 -2.7869 -2.7869 -2.7271 -2.7271 -2.1296 -2.1296 -2.1130 -2.1130 -1.9367 -1.9367 -1.8901 -1.8901 -1.4128 -1.4128 -0.7599 -0.7599 -0.6620 -0.6620 -0.2786 -0.2786 0.0063 0.0063 0.0906 0.0906 0.3605 0.3605 0.4419 0.4419 1.7326 1.7326 1.8770 1.8770 2.0200 2.0200 2.0285 2.0285 2.1501 2.1501 2.3593 2.3593 5.7501 5.7501 6.0912 6.0912 6.1232 6.1232 6.1687 6.1687 6.1970 6.1970 6.2161 6.2161 6.9089 6.9089 7.1309 7.1309 7.2259 7.2259 8.3560 8.3560 k = 0.5000 0.5000 0.3000 ( 12768 PWs) bands (ev): -16.8828 -16.8828 -16.8588 -16.8588 -16.8583 -16.8583 -15.0913 -15.0913 -15.0749 -15.0749 -15.0239 -15.0239 -13.0177 -13.0177 -6.4481 -6.4481 -6.1389 -6.1389 -6.1299 -6.1299 -3.4131 -3.4131 -3.2603 -3.2603 -2.8866 -2.8866 -2.7874 -2.7874 -2.7340 -2.7340 -2.1277 -2.1277 -2.1134 -2.1134 -1.9657 -1.9657 -1.8900 -1.8900 -1.3886 -1.3886 -0.7418 -0.7418 -0.6606 -0.6606 -0.2585 -0.2585 0.0557 0.0557 0.1284 0.1284 0.3627 0.3627 0.4522 0.4522 1.7130 1.7130 1.8704 1.8704 1.9969 1.9969 2.0045 2.0045 2.1374 2.1374 2.3159 2.3159 5.7621 5.7621 6.1054 6.1054 6.1419 6.1419 6.1733 6.1733 6.2086 6.2086 6.2224 6.2224 6.9485 6.9485 7.1452 7.1452 7.2291 7.2291 8.3696 8.3696 k = 0.5000 0.5000 0.3167 ( 12768 PWs) bands (ev): -16.8790 -16.8790 -16.8585 -16.8585 -16.8579 -16.8579 -15.0896 -15.0896 -15.0755 -15.0755 -15.0317 -15.0317 -13.0206 -13.0206 -6.4074 -6.4074 -6.1373 -6.1373 -6.1296 -6.1296 -3.4251 -3.4251 -3.2730 -3.2730 -2.9526 -2.9526 -2.7875 -2.7875 -2.7408 -2.7408 -2.1259 -2.1259 -2.1138 -2.1138 -1.9922 -1.9922 -1.8897 -1.8897 -1.3664 -1.3664 -0.7253 -0.7253 -0.6590 -0.6590 -0.2384 -0.2384 0.1026 0.1026 0.1681 0.1681 0.3649 0.3649 0.4625 0.4625 1.6905 1.6905 1.8640 1.8640 1.9741 1.9741 1.9809 1.9809 2.1254 2.1254 2.2745 2.2745 5.7735 5.7735 6.1192 6.1192 6.1598 6.1598 6.1776 6.1776 6.2188 6.2188 6.2290 6.2290 6.9878 6.9878 7.1591 7.1591 7.2321 7.2321 8.3837 8.3837 k = 0.5000 0.5000 0.3333 ( 12744 PWs) bands (ev): -16.8755 -16.8755 -16.8581 -16.8581 -16.8576 -16.8576 -15.0880 -15.0880 -15.0761 -15.0761 -15.0391 -15.0391 -13.0234 -13.0234 -6.3673 -6.3673 -6.1357 -6.1357 -6.1292 -6.1292 -3.4372 -3.4372 -3.2845 -3.2845 -3.0156 -3.0156 -2.7875 -2.7875 -2.7474 -2.7474 -2.1243 -2.1243 -2.1141 -2.1141 -2.0163 -2.0163 -1.8892 -1.8892 -1.3465 -1.3465 -0.7104 -0.7104 -0.6571 -0.6571 -0.2189 -0.2189 0.1467 0.1467 0.2093 0.2093 0.3671 0.3671 0.4729 0.4729 1.6650 1.6650 1.8579 1.8579 1.9518 1.9518 1.9580 1.9580 2.1141 2.1141 2.2358 2.2358 5.7843 5.7843 6.1323 6.1323 6.1769 6.1769 6.1817 6.1817 6.2276 6.2276 6.2357 6.2357 7.0263 7.0263 7.1726 7.1726 7.2349 7.2349 8.3981 8.3981 k = 0.5000 0.5000 0.3500 ( 12772 PWs) bands (ev): -16.8721 -16.8721 -16.8578 -16.8578 -16.8573 -16.8573 -15.0864 -15.0864 -15.0766 -15.0766 -15.0461 -15.0461 -13.0260 -13.0260 -6.3284 -6.3284 -6.1343 -6.1343 -6.1289 -6.1289 -3.4494 -3.4494 -3.2947 -3.2947 -3.0747 -3.0747 -2.7876 -2.7876 -2.7540 -2.7540 -2.1228 -2.1228 -2.1145 -2.1145 -2.0378 -2.0378 -1.8886 -1.8886 -1.3287 -1.3287 -0.6970 -0.6970 -0.6550 -0.6550 -0.2002 -0.2002 0.1877 0.1877 0.2518 0.2518 0.3692 0.3692 0.4831 0.4831 1.6364 1.6364 1.8520 1.8520 1.9303 1.9303 1.9361 1.9361 2.1038 2.1038 2.2006 2.2006 5.7943 5.7943 6.1448 6.1448 6.1854 6.1854 6.1928 6.1928 6.2350 6.2350 6.2424 6.2424 7.0634 7.0634 7.1853 7.1853 7.2374 7.2374 8.4125 8.4125 k = 0.5000 0.5000 0.3667 ( 12772 PWs) bands (ev): -16.8690 -16.8690 -16.8575 -16.8575 -16.8570 -16.8570 -15.0850 -15.0850 -15.0771 -15.0771 -15.0526 -15.0526 -13.0284 -13.0284 -6.2913 -6.2913 -6.1330 -6.1330 -6.1286 -6.1286 -3.4617 -3.4617 -3.3038 -3.3038 -3.1292 -3.1292 -2.7877 -2.7877 -2.7602 -2.7602 -2.1215 -2.1215 -2.1148 -2.1148 -2.0568 -2.0568 -1.8880 -1.8880 -1.3131 -1.3131 -0.6852 -0.6852 -0.6529 -0.6529 -0.1826 -0.1826 0.2254 0.2254 0.2948 0.2948 0.3713 0.3713 0.4929 0.4929 1.6051 1.6051 1.8465 1.8465 1.9099 1.9099 1.9154 1.9154 2.0944 2.0944 2.1692 2.1692 5.8034 5.8034 6.1563 6.1563 6.1890 6.1890 6.2073 6.2073 6.2415 6.2415 6.2488 6.2488 7.0983 7.0983 7.1971 7.1971 7.2397 7.2397 8.4267 8.4267 k = 0.5000 0.5000 0.3833 ( 12752 PWs) bands (ev): -16.8661 -16.8661 -16.8572 -16.8572 -16.8567 -16.8567 -15.0837 -15.0837 -15.0776 -15.0776 -15.0585 -15.0585 -13.0306 -13.0306 -6.2566 -6.2566 -6.1318 -6.1318 -6.1284 -6.1284 -3.4740 -3.4740 -3.3117 -3.3117 -3.1784 -3.1784 -2.7877 -2.7877 -2.7661 -2.7661 -2.1204 -2.1204 -2.1150 -2.1150 -2.0733 -2.0733 -1.8874 -1.8874 -1.2996 -1.2996 -0.6750 -0.6750 -0.6508 -0.6508 -0.1666 -0.1666 0.2595 0.2595 0.3372 0.3372 0.3741 0.3741 0.5022 0.5022 1.5716 1.5716 1.8414 1.8414 1.8909 1.8909 1.8962 1.8962 2.0860 2.0860 2.1419 2.1419 5.8116 5.8116 6.1668 6.1668 6.1922 6.1922 6.2202 6.2202 6.2473 6.2473 6.2546 6.2546 7.1304 7.1304 7.2079 7.2079 7.2418 7.2418 8.4405 8.4405 k = 0.5000 0.5000 0.4000 ( 12744 PWs) bands (ev): -16.8635 -16.8635 -16.8569 -16.8569 -16.8565 -16.8565 -15.0825 -15.0825 -15.0780 -15.0780 -15.0638 -15.0638 -13.0325 -13.0325 -6.2248 -6.2248 -6.1307 -6.1307 -6.1281 -6.1281 -3.4863 -3.4863 -3.3185 -3.3185 -3.2214 -3.2214 -2.7878 -2.7878 -2.7715 -2.7715 -2.1197 -2.1197 -2.1152 -2.1152 -2.0872 -2.0872 -1.8869 -1.8869 -1.2881 -1.2881 -0.6661 -0.6661 -0.6488 -0.6488 -0.1523 -0.1523 0.2898 0.2898 0.3683 0.3683 0.3872 0.3872 0.5109 0.5109 1.5369 1.5369 1.8368 1.8368 1.8736 1.8736 1.8788 1.8788 2.0787 2.0787 2.1187 2.1187 5.8189 5.8189 6.1762 6.1762 6.1951 6.1951 6.2314 6.2314 6.2527 6.2527 6.2597 6.2597 7.1593 7.1593 7.2176 7.2176 7.2438 7.2438 8.4534 8.4534 k = 0.5000 0.5000 0.4167 ( 12744 PWs) bands (ev): -16.8613 -16.8613 -16.8567 -16.8567 -16.8563 -16.8563 -15.0816 -15.0816 -15.0783 -15.0783 -15.0684 -15.0684 -13.0342 -13.0342 -6.1966 -6.1966 -6.1297 -6.1297 -6.1279 -6.1279 -3.4984 -3.4984 -3.3242 -3.3242 -3.2577 -3.2577 -2.7879 -2.7879 -2.7763 -2.7763 -2.1195 -2.1195 -2.1153 -2.1153 -2.0985 -2.0985 -1.8864 -1.8864 -1.2786 -1.2786 -0.6587 -0.6587 -0.6469 -0.6469 -0.1400 -0.1400 0.3159 0.3159 0.3734 0.3734 0.4241 0.4241 0.5186 0.5186 1.5025 1.5025 1.8327 1.8327 1.8585 1.8585 1.8636 1.8636 2.0725 2.0725 2.0996 2.0996 5.8251 5.8251 6.1844 6.1844 6.1976 6.1976 6.2405 6.2405 6.2578 6.2578 6.2640 6.2640 7.1843 7.1843 7.2260 7.2260 7.2456 7.2456 8.4650 8.4650 k = 0.5000 0.5000 0.4333 ( 12744 PWs) bands (ev): -16.8595 -16.8595 -16.8565 -16.8565 -16.8561 -16.8561 -15.0807 -15.0807 -15.0786 -15.0786 -15.0722 -15.0722 -13.0356 -13.0356 -6.1726 -6.1726 -6.1290 -6.1290 -6.1277 -6.1277 -3.5098 -3.5098 -3.3289 -3.3289 -3.2870 -3.2870 -2.7879 -2.7879 -2.7804 -2.7804 -2.1203 -2.1203 -2.1152 -2.1152 -2.1069 -2.1069 -1.8860 -1.8860 -1.2709 -1.2709 -0.6527 -0.6527 -0.6452 -0.6452 -0.1297 -0.1297 0.3377 0.3377 0.3751 0.3751 0.4606 0.4606 0.5253 0.5253 1.4700 1.4700 1.8290 1.8290 1.8458 1.8458 1.8506 1.8506 2.0674 2.0674 2.0844 2.0844 5.8302 5.8302 6.1912 6.1912 6.1997 6.1997 6.2473 6.2473 6.2628 6.2628 6.2676 6.2676 7.2048 7.2048 7.2332 7.2332 7.2474 7.2474 8.4752 8.4752 k = 0.5000 0.5000 0.4500 ( 12760 PWs) bands (ev): -16.8580 -16.8580 -16.8563 -16.8563 -16.8559 -16.8559 -15.0801 -15.0801 -15.0788 -15.0788 -15.0752 -15.0752 -13.0368 -13.0368 -6.1532 -6.1532 -6.1284 -6.1284 -6.1276 -6.1276 -3.5199 -3.5199 -3.3325 -3.3325 -3.3094 -3.3094 -2.7879 -2.7879 -2.7836 -2.7836 -2.1226 -2.1226 -2.1150 -2.1150 -2.1118 -2.1118 -1.8856 -1.8856 -1.2651 -1.2651 -0.6480 -0.6480 -0.6439 -0.6439 -0.1216 -0.1216 0.3549 0.3549 0.3761 0.3761 0.4922 0.4922 0.5307 0.5307 1.4414 1.4414 1.8257 1.8257 1.8362 1.8362 1.8403 1.8403 2.0635 2.0635 2.0729 2.0729 5.8342 5.8342 6.1965 6.1965 6.2014 6.2014 6.2521 6.2521 6.2673 6.2673 6.2704 6.2704 7.2200 7.2200 7.2397 7.2397 7.2492 7.2492 8.4835 8.4835 k = 0.5000 0.5000 0.4667 ( 12748 PWs) bands (ev): -16.8570 -16.8570 -16.8562 -16.8562 -16.8558 -16.8558 -15.0797 -15.0797 -15.0789 -15.0789 -15.0773 -15.0773 -13.0376 -13.0376 -6.1391 -6.1391 -6.1280 -6.1280 -6.1274 -6.1274 -3.5280 -3.5280 -3.3350 -3.3350 -3.3249 -3.3249 -2.7880 -2.7880 -2.7860 -2.7860 -2.1258 -2.1258 -2.1148 -2.1148 -2.1137 -2.1137 -1.8854 -1.8854 -1.2609 -1.2609 -0.6447 -0.6447 -0.6429 -0.6429 -0.1158 -0.1158 0.3674 0.3674 0.3769 0.3769 0.5169 0.5169 0.5347 0.5347 1.4188 1.4188 1.8222 1.8222 1.8302 1.8302 1.8327 1.8327 2.0607 2.0607 2.0648 2.0648 5.8371 5.8371 6.2004 6.2004 6.2026 6.2026 6.2552 6.2552 6.2709 6.2709 6.2724 6.2724 7.2292 7.2292 7.2458 7.2458 7.2509 7.2509 8.4897 8.4897 k = 0.5000 0.5000 0.4833 ( 12712 PWs) bands (ev): -16.8566 -16.8566 -16.8559 -16.8559 -16.8558 -16.8558 -15.0797 -15.0797 -15.0789 -15.0789 -15.0785 -15.0785 -13.0381 -13.0381 -6.1304 -6.1304 -6.1277 -6.1277 -6.1273 -6.1273 -3.5332 -3.5332 -3.3365 -3.3365 -3.3340 -3.3340 -2.7880 -2.7880 -2.7875 -2.7875 -2.1282 -2.1282 -2.1147 -2.1147 -2.1144 -2.1144 -1.8852 -1.8852 -1.2585 -1.2585 -0.6427 -0.6427 -0.6423 -0.6423 -0.1123 -0.1123 0.3749 0.3749 0.3773 0.3773 0.5326 0.5326 0.5371 0.5371 1.4043 1.4043 1.8193 1.8193 1.8273 1.8273 1.8281 1.8281 2.0590 2.0590 2.0600 2.0600 5.8388 5.8388 6.2028 6.2028 6.2033 6.2033 6.2570 6.2570 6.2732 6.2732 6.2736 6.2736 7.2335 7.2335 7.2507 7.2507 7.2521 7.2521 8.4935 8.4935 k = 0.5000 0.5000 0.5000 ( 12712 PWs) bands (ev): -16.8565 -16.8565 -16.8558 -16.8558 -16.8558 -16.8558 -15.0798 -15.0798 -15.0788 -15.0788 -15.0788 -15.0788 -13.0382 -13.0382 -6.1280 -6.1280 -6.1272 -6.1272 -6.1272 -6.1272 -3.5350 -3.5350 -3.3370 -3.3370 -3.3370 -3.3370 -2.7880 -2.7880 -2.7880 -2.7880 -2.1291 -2.1291 -2.1146 -2.1146 -2.1146 -2.1146 -1.8851 -1.8851 -1.2577 -1.2577 -0.6421 -0.6421 -0.6421 -0.6421 -0.1111 -0.1111 0.3775 0.3775 0.3775 0.3775 0.5380 0.5380 0.5380 0.5380 1.3992 1.3992 1.8181 1.8181 1.8266 1.8266 1.8266 1.8266 2.0584 2.0584 2.0584 2.0584 5.8394 5.8394 6.2035 6.2035 6.2035 6.2035 6.2575 6.2575 6.2740 6.2740 6.2740 6.2740 7.2347 7.2347 7.2525 7.2525 7.2525 7.2525 8.4947 8.4947 Writing output data file CsCdxNO2x3.save init_run : 0.84s CPU 1.05s WALL ( 1 calls) electrons : 349.28s CPU 353.52s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.04s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 349.26s CPU 353.51s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.19s CPU 0.29s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.13s CPU 0.22s WALL ( 231 calls) cegterg : 316.64s CPU 318.90s WALL ( 231 calls) Called by sum_band: Called by *egterg: h_psi : 207.86s CPU 209.81s WALL ( 3157 calls) s_psi : 12.18s CPU 12.26s WALL ( 3157 calls) g_psi : 0.92s CPU 0.84s WALL ( 2695 calls) cdiaghg : 54.49s CPU 55.17s WALL ( 2926 calls) cegterg:over : 26.70s CPU 26.62s WALL ( 2695 calls) cegterg:upda : 18.44s CPU 18.57s WALL ( 2695 calls) cegterg:last : 14.66s CPU 14.60s WALL ( 905 calls) cdiaghg:chol : 3.28s CPU 3.37s WALL ( 2926 calls) cdiaghg:inve : 2.50s CPU 2.43s WALL ( 2926 calls) cdiaghg:para : 4.24s CPU 4.39s WALL ( 5852 calls) Called by h_psi: h_psi:vloc : 174.69s CPU 176.69s WALL ( 3157 calls) h_psi:vnl : 32.29s CPU 32.23s WALL ( 3157 calls) add_vuspsi : 16.57s CPU 16.56s WALL ( 3157 calls) General routines calbec : 15.70s CPU 15.65s WALL ( 3157 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 160.82s CPU 162.61s WALL ( 900148 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.22s CPU 0.68s WALL ( 462 calls) Parallel routines fft_scatter : 52.48s CPU 53.67s WALL ( 900171 calls) PWSCF : 6m27.78s CPU 6m55.98s WALL This run was terminated on: 16:51:36 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=