Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:53: 6 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: ./RbCdxNO2x3.save/ file Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4D 4D renormalized file Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 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 43 12 7937 1265 196 Max 146 44 13 7942 1281 201 Sum 5249 1549 437 285809 45769 7123 bravais-lattice index = 14 lattice parameter (alat) = 10.1573 a.u. unit-cell volume = 1047.9291 (a.u.)^3 number of atoms/cell = 11 number of atomic types = 4 number of electrons = 72.00 number of Kohn-Sham states= 86 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 639.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.157277 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 Rb read from file: /users/gautes/Pseudo/Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 948b8f0a9070089a35782939cf30e963 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1219 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 4 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Cd 12.00 112.41100 Cd( 1.00) O 6.00 15.99940 O( 1.00) Rb 9.00 85.46780 Rb( 1.00) N 5.00 14.00670 N( 1.00) 24 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 120 deg rotation - cart. axis [-1,-1,-1] cryst. s( 5) = ( 0 0 1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 6 120 deg rotation - cart. axis [-1,1,1] cryst. s( 6) = ( 0 0 -1 ) ( -1 0 0 ) ( 0 1 0 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 7 120 deg rotation - cart. axis [1,1,-1] cryst. s( 7) = ( 0 0 -1 ) ( 1 0 0 ) ( 0 -1 0 ) cart. s( 7) = ( -0.0000000 1.0000000 -0.0000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 8 120 deg rotation - cart. axis [1,-1,1] cryst. s( 8) = ( 0 0 1 ) ( -1 0 0 ) ( 0 -1 0 ) cart. s( 8) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 9 120 deg rotation - cart. axis [1,1,1] cryst. s( 9) = ( 0 1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s( 9) = ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 10 120 deg rotation - cart. axis [-1,1,-1] cryst. s(10) = ( 0 -1 0 ) ( 0 0 -1 ) ( 1 0 0 ) cart. s(10) = ( -0.0000000 -0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 11 120 deg rotation - cart. axis [1,-1,-1] cryst. s(11) = ( 0 -1 0 ) ( 0 0 1 ) ( -1 0 0 ) cart. s(11) = ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 12 120 deg rotation - cart. axis [-1,-1,1] cryst. s(12) = ( 0 1 0 ) ( 0 0 -1 ) ( -1 0 0 ) cart. s(12) = ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 13 inversion cryst. s(13) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(14) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(14) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 15 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(15) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 16 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(16) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 17 inv. 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(17) = ( 0 0 -1 ) ( -1 0 0 ) ( 0 -1 0 ) cart. s(17) = ( -0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 18 inv. 120 deg rotation - cart. axis [-1,1,1] cryst. s(18) = ( 0 0 1 ) ( 1 0 0 ) ( 0 -1 0 ) cart. s(18) = ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 19 inv. 120 deg rotation - cart. axis [1,1,-1] cryst. s(19) = ( 0 0 1 ) ( -1 0 0 ) ( 0 1 0 ) cart. s(19) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 20 inv. 120 deg rotation - cart. axis [1,-1,1] cryst. s(20) = ( 0 0 -1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(20) = ( -0.0000000 1.0000000 0.0000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 21 inv. 120 deg rotation - cart. axis [1,1,1] cryst. s(21) = ( 0 -1 0 ) ( 0 0 -1 ) ( -1 0 0 ) cart. s(21) = ( -0.0000000 -0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 22 inv. 120 deg rotation - cart. axis [-1,1,-1] cryst. s(22) = ( 0 1 0 ) ( 0 0 1 ) ( -1 0 0 ) cart. s(22) = ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 23 inv. 120 deg rotation - cart. axis [1,-1,-1] cryst. s(23) = ( 0 1 0 ) ( 0 0 -1 ) ( 1 0 0 ) cart. s(23) = ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 24 inv. 120 deg rotation - cart. axis [-1,-1,1] cryst. s(24) = ( 0 -1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(24) = ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) double point group T_h (m-3) there are 14 classes and 6 irreducible representations the character table: E -E 3C2 4C3 -4C3 4C3' -4C3' i -i 3s_h 4S6' -4S6' -3C2 -3s_h G_5+ 2.00 -2.00 0.00 1.00 -1.00 1.00 -1.00 2.00 -2.00 0.00 1.00 -1.00 G_6+ 2.00 -2.00 0.00 -0.50 0.50 -0.50 0.50 2.00 -2.00 0.00 -0.50 0.50 G_7+ 2.00 -2.00 0.00 -0.50 0.50 -0.50 0.50 2.00 -2.00 0.00 -0.50 0.50 G_5- 2.00 -2.00 0.00 1.00 -1.00 1.00 -1.00 -2.00 2.00 0.00 -1.00 1.00 G_6- 2.00 -2.00 0.00 -0.50 0.50 -0.50 0.50 -2.00 2.00 0.00 0.50 -0.50 G_7- 2.00 -2.00 0.00 -0.50 0.50 -0.50 0.50 -2.00 2.00 0.00 0.50 -0.50 4S6 -4S6 G_5+ 1.00 -1.00 G_6+ -0.50 0.50 G_7+ -0.50 0.50 G_5- -1.00 1.00 G_6- 0.50 -0.50 G_7- 0.50 -0.50 imaginary part E -E 3C2 4C3 -4C3 4C3' -4C3' i -i 3s_h 4S6' -4S6' -3C2 -3s_h G_5+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_6+ 0.00 0.00 0.00 0.87 -0.87 -0.87 0.87 0.00 0.00 0.00 0.87 -0.87 G_7+ 0.00 0.00 0.00 -0.87 0.87 0.87 -0.87 0.00 0.00 0.00 -0.87 0.87 G_5- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_6- 0.00 0.00 0.00 0.87 -0.87 -0.87 0.87 0.00 0.00 0.00 -0.87 0.87 G_7- 0.00 0.00 0.00 -0.87 0.87 0.87 -0.87 0.00 0.00 0.00 0.87 -0.87 4S6 -4S6 G_5+ 0.00 0.00 G_6+ -0.87 0.87 G_7+ 0.87 -0.87 G_5- 0.00 0.00 G_6- 0.87 -0.87 G_7- -0.87 0.87 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 3C2 -3C2 2 -2 3 -3 4 -4 180 deg rotation - cart. axis [0,0,1] 4C3 9 12 10 11 120 deg rotation - cart. axis [1,1,1] -4C3 -9 -12 -10 -11 120 deg rotation - cart. axis [1,1,1] E 4C3' 5 7 8 6 120 deg rotation - cart. axis [-1,-1,-1] -4C3' -5 -7 -8 -6 120 deg rotation - cart. axis [-1,-1,-1] E i 13 inversion -i -13 inversion E 3s_h-3s_h 14 -14 15 -15 16 -16 inv. 180 deg rotation - cart. axis [0,0,1] 4S6' 21 24 22 23 inv. 120 deg rotation - cart. axis [1,1,1] -4S6' -21 -24 -22 -23 inv. 120 deg rotation - cart. axis [1,1,1] E 4S6 17 19 20 18 inv. 120 deg rotation - cart. axis [-1,-1,-1] -4S6 -17 -19 -20 -18 inv. 120 deg rotation - cart. axis [-1,-1,-1] E Cartesian axes number of k points= 231 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043290 k( 2) = ( 0.0000000 0.0166667 -0.0000000), wk = 0.0043290 k( 3) = ( 0.0000000 0.0333333 -0.0000000), wk = 0.0043290 k( 4) = ( 0.0000000 0.0500000 -0.0000000), wk = 0.0043290 k( 5) = ( 0.0000000 0.0666667 -0.0000000), wk = 0.0043290 k( 6) = ( 0.0000000 0.0833333 -0.0000000), wk = 0.0043290 k( 7) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0043290 k( 8) = ( 0.0000000 0.1166667 -0.0000000), wk = 0.0043290 k( 9) = ( 0.0000000 0.1333333 -0.0000000), wk = 0.0043290 k( 10) = ( 0.0000000 0.1500000 -0.0000000), wk = 0.0043290 k( 11) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0043290 k( 12) = ( 0.0000000 0.1833333 -0.0000000), wk = 0.0043290 k( 13) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0043290 k( 14) = ( 0.0000000 0.2166667 -0.0000000), wk = 0.0043290 k( 15) = ( 0.0000000 0.2333333 -0.0000000), wk = 0.0043290 k( 16) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0043290 k( 17) = ( 0.0000000 0.2666667 -0.0000000), wk = 0.0043290 k( 18) = ( 0.0000000 0.2833333 -0.0000000), wk = 0.0043290 k( 19) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0043290 k( 20) = ( 0.0000000 0.3166667 -0.0000000), wk = 0.0043290 k( 21) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0043290 k( 22) = ( 0.0000000 0.3500000 -0.0000000), wk = 0.0043290 k( 23) = ( 0.0000000 0.3666667 -0.0000000), wk = 0.0043290 k( 24) = ( 0.0000000 0.3833333 -0.0000000), wk = 0.0043290 k( 25) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0043290 k( 26) = ( 0.0000000 0.4166667 -0.0000000), wk = 0.0043290 k( 27) = ( 0.0000000 0.4333333 -0.0000000), wk = 0.0043290 k( 28) = ( 0.0000000 0.4500000 -0.0000000), wk = 0.0043290 k( 29) = ( 0.0000000 0.4666667 -0.0000000), wk = 0.0043290 k( 30) = ( 0.0000000 0.4833333 -0.0000000), wk = 0.0043290 k( 31) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0043290 k( 32) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0043290 k( 33) = ( 0.0166667 0.5000000 -0.0000000), wk = 0.0043290 k( 34) = ( 0.0333333 0.5000000 -0.0000000), wk = 0.0043290 k( 35) = ( 0.0500000 0.5000000 -0.0000000), wk = 0.0043290 k( 36) = ( 0.0666667 0.5000000 -0.0000000), wk = 0.0043290 k( 37) = ( 0.0833333 0.5000000 -0.0000000), wk = 0.0043290 k( 38) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0043290 k( 39) = ( 0.1166667 0.5000000 -0.0000000), wk = 0.0043290 k( 40) = ( 0.1333333 0.5000000 -0.0000000), wk = 0.0043290 k( 41) = ( 0.1500000 0.5000000 -0.0000000), wk = 0.0043290 k( 42) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0043290 k( 43) = ( 0.1833333 0.5000000 -0.0000000), wk = 0.0043290 k( 44) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0043290 k( 45) = ( 0.2166667 0.5000000 -0.0000000), wk = 0.0043290 k( 46) = ( 0.2333333 0.5000000 -0.0000000), wk = 0.0043290 k( 47) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0043290 k( 48) = ( 0.2666667 0.5000000 -0.0000000), wk = 0.0043290 k( 49) = ( 0.2833333 0.5000000 -0.0000000), wk = 0.0043290 k( 50) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0043290 k( 51) = ( 0.3166667 0.5000000 -0.0000000), wk = 0.0043290 k( 52) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0043290 k( 53) = ( 0.3500000 0.5000000 -0.0000000), wk = 0.0043290 k( 54) = ( 0.3666667 0.5000000 -0.0000000), wk = 0.0043290 k( 55) = ( 0.3833333 0.5000000 -0.0000000), wk = 0.0043290 k( 56) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0043290 k( 57) = ( 0.4166667 0.5000000 -0.0000000), wk = 0.0043290 k( 58) = ( 0.4333333 0.5000000 -0.0000000), wk = 0.0043290 k( 59) = ( 0.4500000 0.5000000 -0.0000000), wk = 0.0043290 k( 60) = ( 0.4666667 0.5000000 -0.0000000), wk = 0.0043290 k( 61) = ( 0.4833333 0.5000000 -0.0000000), wk = 0.0043290 k( 62) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0043290 k( 63) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0043290 k( 64) = ( 0.4880952 0.4880952 -0.0000000), wk = 0.0043290 k( 65) = ( 0.4761905 0.4761905 -0.0000000), wk = 0.0043290 k( 66) = ( 0.4642857 0.4642857 -0.0000000), wk = 0.0043290 k( 67) = ( 0.4523810 0.4523809 -0.0000000), wk = 0.0043290 k( 68) = ( 0.4404762 0.4404762 -0.0000000), wk = 0.0043290 k( 69) = ( 0.4285714 0.4285714 -0.0000000), wk = 0.0043290 k( 70) = ( 0.4166667 0.4166667 -0.0000000), wk = 0.0043290 k( 71) = ( 0.4047619 0.4047619 -0.0000000), wk = 0.0043290 k( 72) = ( 0.3928571 0.3928571 -0.0000000), wk = 0.0043290 k( 73) = ( 0.3809524 0.3809524 -0.0000000), wk = 0.0043290 k( 74) = ( 0.3690476 0.3690476 -0.0000000), wk = 0.0043290 k( 75) = ( 0.3571429 0.3571429 -0.0000000), wk = 0.0043290 k( 76) = ( 0.3452381 0.3452381 -0.0000000), wk = 0.0043290 k( 77) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0043290 k( 78) = ( 0.3214286 0.3214286 -0.0000000), wk = 0.0043290 k( 79) = ( 0.3095238 0.3095238 -0.0000000), wk = 0.0043290 k( 80) = ( 0.2976190 0.2976190 -0.0000000), wk = 0.0043290 k( 81) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0043290 k( 82) = ( 0.2738095 0.2738095 -0.0000000), wk = 0.0043290 k( 83) = ( 0.2619048 0.2619048 -0.0000000), wk = 0.0043290 k( 84) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0043290 k( 85) = ( 0.2380952 0.2380952 -0.0000000), wk = 0.0043290 k( 86) = ( 0.2261905 0.2261905 -0.0000000), wk = 0.0043290 k( 87) = ( 0.2142857 0.2142857 -0.0000000), wk = 0.0043290 k( 88) = ( 0.2023810 0.2023809 -0.0000000), wk = 0.0043290 k( 89) = ( 0.1904762 0.1904762 -0.0000000), wk = 0.0043290 k( 90) = ( 0.1785714 0.1785714 -0.0000000), wk = 0.0043290 k( 91) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0043290 k( 92) = ( 0.1547619 0.1547619 -0.0000000), wk = 0.0043290 k( 93) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0043290 k( 94) = ( 0.1309524 0.1309524 -0.0000000), wk = 0.0043290 k( 95) = ( 0.1190476 0.1190476 -0.0000000), wk = 0.0043290 k( 96) = ( 0.1071429 0.1071429 -0.0000000), wk = 0.0043290 k( 97) = ( 0.0952381 0.0952381 -0.0000000), wk = 0.0043290 k( 98) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0043290 k( 99) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0043290 k( 100) = ( 0.0595238 0.0595238 -0.0000000), wk = 0.0043290 k( 101) = ( 0.0476191 0.0476190 -0.0000000), wk = 0.0043290 k( 102) = ( 0.0357143 0.0357143 -0.0000000), wk = 0.0043290 k( 103) = ( 0.0238095 0.0238095 -0.0000000), wk = 0.0043290 k( 104) = ( 0.0119048 0.0119048 -0.0000000), wk = 0.0043290 k( 105) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043290 k( 106) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043290 k( 107) = ( 0.0098039 0.0098039 0.0098039), wk = 0.0043290 k( 108) = ( 0.0196078 0.0196078 0.0196078), wk = 0.0043290 k( 109) = ( 0.0294118 0.0294118 0.0294118), wk = 0.0043290 k( 110) = ( 0.0392157 0.0392157 0.0392157), wk = 0.0043290 k( 111) = ( 0.0490196 0.0490196 0.0490196), wk = 0.0043290 k( 112) = ( 0.0588235 0.0588235 0.0588235), wk = 0.0043290 k( 113) = ( 0.0686275 0.0686275 0.0686274), wk = 0.0043290 k( 114) = ( 0.0784314 0.0784314 0.0784314), wk = 0.0043290 k( 115) = ( 0.0882353 0.0882353 0.0882353), wk = 0.0043290 k( 116) = ( 0.0980392 0.0980392 0.0980392), wk = 0.0043290 k( 117) = ( 0.1078431 0.1078431 0.1078431), wk = 0.0043290 k( 118) = ( 0.1176471 0.1176471 0.1176471), wk = 0.0043290 k( 119) = ( 0.1274510 0.1274510 0.1274510), wk = 0.0043290 k( 120) = ( 0.1372549 0.1372549 0.1372549), wk = 0.0043290 k( 121) = ( 0.1470588 0.1470588 0.1470588), wk = 0.0043290 k( 122) = ( 0.1568627 0.1568627 0.1568627), wk = 0.0043290 k( 123) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0043290 k( 124) = ( 0.1764706 0.1764706 0.1764706), wk = 0.0043290 k( 125) = ( 0.1862745 0.1862745 0.1862745), wk = 0.0043290 k( 126) = ( 0.1960784 0.1960784 0.1960784), wk = 0.0043290 k( 127) = ( 0.2058823 0.2058823 0.2058823), wk = 0.0043290 k( 128) = ( 0.2156863 0.2156863 0.2156863), wk = 0.0043290 k( 129) = ( 0.2254902 0.2254902 0.2254902), wk = 0.0043290 k( 130) = ( 0.2352941 0.2352941 0.2352941), wk = 0.0043290 k( 131) = ( 0.2450980 0.2450980 0.2450980), wk = 0.0043290 k( 132) = ( 0.2549020 0.2549020 0.2549020), wk = 0.0043290 k( 133) = ( 0.2647059 0.2647059 0.2647059), wk = 0.0043290 k( 134) = ( 0.2745098 0.2745098 0.2745098), wk = 0.0043290 k( 135) = ( 0.2843137 0.2843137 0.2843137), wk = 0.0043290 k( 136) = ( 0.2941177 0.2941176 0.2941176), wk = 0.0043290 k( 137) = ( 0.3039216 0.3039216 0.3039216), wk = 0.0043290 k( 138) = ( 0.3137255 0.3137255 0.3137255), wk = 0.0043290 k( 139) = ( 0.3235294 0.3235294 0.3235294), wk = 0.0043290 k( 140) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0043290 k( 141) = ( 0.3431373 0.3431372 0.3431372), wk = 0.0043290 k( 142) = ( 0.3529412 0.3529412 0.3529412), wk = 0.0043290 k( 143) = ( 0.3627451 0.3627451 0.3627451), wk = 0.0043290 k( 144) = ( 0.3725490 0.3725490 0.3725490), wk = 0.0043290 k( 145) = ( 0.3823529 0.3823529 0.3823529), wk = 0.0043290 k( 146) = ( 0.3921569 0.3921569 0.3921569), wk = 0.0043290 k( 147) = ( 0.4019608 0.4019608 0.4019608), wk = 0.0043290 k( 148) = ( 0.4117647 0.4117647 0.4117647), wk = 0.0043290 k( 149) = ( 0.4215686 0.4215686 0.4215686), wk = 0.0043290 k( 150) = ( 0.4313726 0.4313725 0.4313725), wk = 0.0043290 k( 151) = ( 0.4411765 0.4411765 0.4411765), wk = 0.0043290 k( 152) = ( 0.4509804 0.4509804 0.4509804), wk = 0.0043290 k( 153) = ( 0.4607843 0.4607843 0.4607843), wk = 0.0043290 k( 154) = ( 0.4705882 0.4705882 0.4705882), wk = 0.0043290 k( 155) = ( 0.4803922 0.4803922 0.4803922), wk = 0.0043290 k( 156) = ( 0.4901961 0.4901961 0.4901961), wk = 0.0043290 k( 157) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0043290 k( 158) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0043290 k( 159) = ( 0.4880952 0.5000000 0.4880952), wk = 0.0043290 k( 160) = ( 0.4761905 0.5000000 0.4761905), wk = 0.0043290 k( 161) = ( 0.4642857 0.5000000 0.4642857), wk = 0.0043290 k( 162) = ( 0.4523810 0.5000000 0.4523809), wk = 0.0043290 k( 163) = ( 0.4404762 0.5000000 0.4404762), wk = 0.0043290 k( 164) = ( 0.4285714 0.5000000 0.4285714), wk = 0.0043290 k( 165) = ( 0.4166667 0.5000000 0.4166667), wk = 0.0043290 k( 166) = ( 0.4047619 0.5000000 0.4047619), wk = 0.0043290 k( 167) = ( 0.3928571 0.5000000 0.3928571), wk = 0.0043290 k( 168) = ( 0.3809524 0.5000000 0.3809524), wk = 0.0043290 k( 169) = ( 0.3690476 0.5000000 0.3690476), wk = 0.0043290 k( 170) = ( 0.3571429 0.5000000 0.3571429), wk = 0.0043290 k( 171) = ( 0.3452381 0.5000000 0.3452381), wk = 0.0043290 k( 172) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0043290 k( 173) = ( 0.3214286 0.5000000 0.3214286), wk = 0.0043290 k( 174) = ( 0.3095238 0.5000000 0.3095238), wk = 0.0043290 k( 175) = ( 0.2976190 0.5000000 0.2976190), wk = 0.0043290 k( 176) = ( 0.2857143 0.5000000 0.2857143), wk = 0.0043290 k( 177) = ( 0.2738095 0.5000000 0.2738095), wk = 0.0043290 k( 178) = ( 0.2619048 0.5000000 0.2619048), wk = 0.0043290 k( 179) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0043290 k( 180) = ( 0.2380952 0.5000000 0.2380952), wk = 0.0043290 k( 181) = ( 0.2261905 0.5000000 0.2261905), wk = 0.0043290 k( 182) = ( 0.2142857 0.5000000 0.2142857), wk = 0.0043290 k( 183) = ( 0.2023810 0.5000000 0.2023809), wk = 0.0043290 k( 184) = ( 0.1904762 0.5000000 0.1904762), wk = 0.0043290 k( 185) = ( 0.1785714 0.5000000 0.1785714), wk = 0.0043290 k( 186) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0043290 k( 187) = ( 0.1547619 0.5000000 0.1547619), wk = 0.0043290 k( 188) = ( 0.1428571 0.5000000 0.1428571), wk = 0.0043290 k( 189) = ( 0.1309524 0.5000000 0.1309524), wk = 0.0043290 k( 190) = ( 0.1190476 0.5000000 0.1190476), wk = 0.0043290 k( 191) = ( 0.1071429 0.5000000 0.1071429), wk = 0.0043290 k( 192) = ( 0.0952381 0.5000000 0.0952381), wk = 0.0043290 k( 193) = ( 0.0833333 0.5000000 0.0833333), wk = 0.0043290 k( 194) = ( 0.0714286 0.5000000 0.0714286), wk = 0.0043290 k( 195) = ( 0.0595238 0.5000000 0.0595238), wk = 0.0043290 k( 196) = ( 0.0476191 0.5000000 0.0476190), wk = 0.0043290 k( 197) = ( 0.0357143 0.5000000 0.0357143), wk = 0.0043290 k( 198) = ( 0.0238095 0.5000000 0.0238095), wk = 0.0043290 k( 199) = ( 0.0119048 0.5000000 0.0119048), wk = 0.0043290 k( 200) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0043290 k( 201) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0043290 k( 202) = ( 0.5000000 0.5000000 0.0166667), wk = 0.0043290 k( 203) = ( 0.5000000 0.5000000 0.0333333), wk = 0.0043290 k( 204) = ( 0.5000000 0.5000000 0.0500000), wk = 0.0043290 k( 205) = ( 0.5000000 0.5000000 0.0666667), wk = 0.0043290 k( 206) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0043290 k( 207) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0043290 k( 208) = ( 0.5000000 0.5000000 0.1166667), wk = 0.0043290 k( 209) = ( 0.5000000 0.5000000 0.1333333), wk = 0.0043290 k( 210) = ( 0.5000000 0.5000000 0.1500000), wk = 0.0043290 k( 211) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0043290 k( 212) = ( 0.5000000 0.5000000 0.1833333), wk = 0.0043290 k( 213) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0043290 k( 214) = ( 0.5000000 0.5000000 0.2166667), wk = 0.0043290 k( 215) = ( 0.5000000 0.5000000 0.2333333), wk = 0.0043290 k( 216) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0043290 k( 217) = ( 0.5000000 0.5000000 0.2666667), wk = 0.0043290 k( 218) = ( 0.5000000 0.5000000 0.2833333), wk = 0.0043290 k( 219) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0043290 k( 220) = ( 0.5000000 0.5000000 0.3166667), wk = 0.0043290 k( 221) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0043290 k( 222) = ( 0.5000000 0.5000000 0.3500000), wk = 0.0043290 k( 223) = ( 0.5000000 0.5000000 0.3666667), wk = 0.0043290 k( 224) = ( 0.5000000 0.5000000 0.3833333), wk = 0.0043290 k( 225) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0043290 k( 226) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0043290 k( 227) = ( 0.5000000 0.5000000 0.4333333), wk = 0.0043290 k( 228) = ( 0.5000000 0.5000000 0.4500000), wk = 0.0043290 k( 229) = ( 0.5000000 0.5000000 0.4666667), wk = 0.0043290 k( 230) = ( 0.5000000 0.5000000 0.4833333), wk = 0.0043290 k( 231) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0043290 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043290 k( 2) = ( 0.0000000 0.0166667 0.0000000), wk = 0.0043290 k( 3) = ( 0.0000000 0.0333333 0.0000000), wk = 0.0043290 k( 4) = ( 0.0000000 0.0500000 0.0000000), wk = 0.0043290 k( 5) = ( 0.0000000 0.0666667 0.0000000), wk = 0.0043290 k( 6) = ( 0.0000000 0.0833333 0.0000000), wk = 0.0043290 k( 7) = ( 0.0000000 0.1000000 0.0000000), wk = 0.0043290 k( 8) = ( 0.0000000 0.1166667 0.0000000), wk = 0.0043290 k( 9) = ( 0.0000000 0.1333333 0.0000000), wk = 0.0043290 k( 10) = ( 0.0000000 0.1500000 0.0000000), wk = 0.0043290 k( 11) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0043290 k( 12) = ( 0.0000000 0.1833333 0.0000000), wk = 0.0043290 k( 13) = ( 0.0000000 0.2000000 0.0000000), wk = 0.0043290 k( 14) = ( 0.0000000 0.2166667 0.0000000), wk = 0.0043290 k( 15) = ( 0.0000000 0.2333333 0.0000000), wk = 0.0043290 k( 16) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0043290 k( 17) = ( 0.0000000 0.2666667 0.0000000), wk = 0.0043290 k( 18) = ( 0.0000000 0.2833333 0.0000000), wk = 0.0043290 k( 19) = ( 0.0000000 0.3000000 0.0000000), wk = 0.0043290 k( 20) = ( 0.0000000 0.3166667 0.0000000), wk = 0.0043290 k( 21) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0043290 k( 22) = ( 0.0000000 0.3500000 0.0000000), wk = 0.0043290 k( 23) = ( 0.0000000 0.3666667 0.0000000), wk = 0.0043290 k( 24) = ( 0.0000000 0.3833333 0.0000000), wk = 0.0043290 k( 25) = ( 0.0000000 0.4000000 0.0000000), wk = 0.0043290 k( 26) = ( 0.0000000 0.4166667 0.0000000), wk = 0.0043290 k( 27) = ( 0.0000000 0.4333333 0.0000000), wk = 0.0043290 k( 28) = ( 0.0000000 0.4500000 0.0000000), wk = 0.0043290 k( 29) = ( 0.0000000 0.4666667 0.0000000), wk = 0.0043290 k( 30) = ( 0.0000000 0.4833333 0.0000000), wk = 0.0043290 k( 31) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0043290 k( 32) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0043290 k( 33) = ( 0.0166667 0.5000000 0.0000000), wk = 0.0043290 k( 34) = ( 0.0333333 0.5000000 0.0000000), wk = 0.0043290 k( 35) = ( 0.0500000 0.5000000 0.0000000), wk = 0.0043290 k( 36) = ( 0.0666667 0.5000000 0.0000000), wk = 0.0043290 k( 37) = ( 0.0833333 0.5000000 0.0000000), wk = 0.0043290 k( 38) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0043290 k( 39) = ( 0.1166667 0.5000000 0.0000000), wk = 0.0043290 k( 40) = ( 0.1333333 0.5000000 0.0000000), wk = 0.0043290 k( 41) = ( 0.1500000 0.5000000 0.0000000), wk = 0.0043290 k( 42) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0043290 k( 43) = ( 0.1833333 0.5000000 0.0000000), wk = 0.0043290 k( 44) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0043290 k( 45) = ( 0.2166667 0.5000000 0.0000000), wk = 0.0043290 k( 46) = ( 0.2333333 0.5000000 0.0000000), wk = 0.0043290 k( 47) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0043290 k( 48) = ( 0.2666667 0.5000000 0.0000000), wk = 0.0043290 k( 49) = ( 0.2833333 0.5000000 0.0000000), wk = 0.0043290 k( 50) = ( 0.3000000 0.5000000 0.0000000), wk = 0.0043290 k( 51) = ( 0.3166667 0.5000000 0.0000000), wk = 0.0043290 k( 52) = ( 0.3333333 0.5000000 0.0000000), wk = 0.0043290 k( 53) = ( 0.3500000 0.5000000 0.0000000), wk = 0.0043290 k( 54) = ( 0.3666667 0.5000000 0.0000000), wk = 0.0043290 k( 55) = ( 0.3833333 0.5000000 0.0000000), wk = 0.0043290 k( 56) = ( 0.4000000 0.5000000 0.0000000), wk = 0.0043290 k( 57) = ( 0.4166667 0.5000000 0.0000000), wk = 0.0043290 k( 58) = ( 0.4333333 0.5000000 0.0000000), wk = 0.0043290 k( 59) = ( 0.4500000 0.5000000 0.0000000), wk = 0.0043290 k( 60) = ( 0.4666667 0.5000000 0.0000000), wk = 0.0043290 k( 61) = ( 0.4833333 0.5000000 0.0000000), wk = 0.0043290 k( 62) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0043290 k( 63) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0043290 k( 64) = ( 0.4880952 0.4880952 0.0000000), wk = 0.0043290 k( 65) = ( 0.4761905 0.4761905 0.0000000), wk = 0.0043290 k( 66) = ( 0.4642857 0.4642857 0.0000000), wk = 0.0043290 k( 67) = ( 0.4523810 0.4523810 0.0000000), wk = 0.0043290 k( 68) = ( 0.4404762 0.4404762 -0.0000000), wk = 0.0043290 k( 69) = ( 0.4285714 0.4285714 0.0000000), wk = 0.0043290 k( 70) = ( 0.4166667 0.4166667 0.0000000), wk = 0.0043290 k( 71) = ( 0.4047619 0.4047619 0.0000000), wk = 0.0043290 k( 72) = ( 0.3928571 0.3928571 -0.0000000), wk = 0.0043290 k( 73) = ( 0.3809524 0.3809524 -0.0000000), wk = 0.0043290 k( 74) = ( 0.3690476 0.3690476 0.0000000), wk = 0.0043290 k( 75) = ( 0.3571429 0.3571429 0.0000000), wk = 0.0043290 k( 76) = ( 0.3452381 0.3452381 0.0000000), wk = 0.0043290 k( 77) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0043290 k( 78) = ( 0.3214286 0.3214286 -0.0000000), wk = 0.0043290 k( 79) = ( 0.3095238 0.3095238 0.0000000), wk = 0.0043290 k( 80) = ( 0.2976190 0.2976190 0.0000000), wk = 0.0043290 k( 81) = ( 0.2857143 0.2857143 0.0000000), wk = 0.0043290 k( 82) = ( 0.2738095 0.2738095 0.0000000), wk = 0.0043290 k( 83) = ( 0.2619048 0.2619048 0.0000000), wk = 0.0043290 k( 84) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0043290 k( 85) = ( 0.2380952 0.2380952 0.0000000), wk = 0.0043290 k( 86) = ( 0.2261905 0.2261905 0.0000000), wk = 0.0043290 k( 87) = ( 0.2142857 0.2142857 0.0000000), wk = 0.0043290 k( 88) = ( 0.2023810 0.2023810 0.0000000), wk = 0.0043290 k( 89) = ( 0.1904762 0.1904762 -0.0000000), wk = 0.0043290 k( 90) = ( 0.1785714 0.1785714 0.0000000), wk = 0.0043290 k( 91) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0043290 k( 92) = ( 0.1547619 0.1547619 0.0000000), wk = 0.0043290 k( 93) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0043290 k( 94) = ( 0.1309524 0.1309524 0.0000000), wk = 0.0043290 k( 95) = ( 0.1190476 0.1190476 0.0000000), wk = 0.0043290 k( 96) = ( 0.1071429 0.1071429 0.0000000), wk = 0.0043290 k( 97) = ( 0.0952381 0.0952381 0.0000000), wk = 0.0043290 k( 98) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0043290 k( 99) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0043290 k( 100) = ( 0.0595238 0.0595238 0.0000000), wk = 0.0043290 k( 101) = ( 0.0476191 0.0476191 0.0000000), wk = 0.0043290 k( 102) = ( 0.0357143 0.0357143 0.0000000), wk = 0.0043290 k( 103) = ( 0.0238095 0.0238095 0.0000000), wk = 0.0043290 k( 104) = ( 0.0119048 0.0119048 0.0000000), wk = 0.0043290 k( 105) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043290 k( 106) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043290 k( 107) = ( 0.0098039 0.0098039 0.0098039), wk = 0.0043290 k( 108) = ( 0.0196078 0.0196078 0.0196078), wk = 0.0043290 k( 109) = ( 0.0294118 0.0294118 0.0294118), wk = 0.0043290 k( 110) = ( 0.0392157 0.0392157 0.0392157), wk = 0.0043290 k( 111) = ( 0.0490196 0.0490196 0.0490196), wk = 0.0043290 k( 112) = ( 0.0588235 0.0588235 0.0588235), wk = 0.0043290 k( 113) = ( 0.0686275 0.0686275 0.0686275), wk = 0.0043290 k( 114) = ( 0.0784314 0.0784314 0.0784314), wk = 0.0043290 k( 115) = ( 0.0882353 0.0882353 0.0882353), wk = 0.0043290 k( 116) = ( 0.0980392 0.0980392 0.0980392), wk = 0.0043290 k( 117) = ( 0.1078431 0.1078431 0.1078431), wk = 0.0043290 k( 118) = ( 0.1176471 0.1176471 0.1176471), wk = 0.0043290 k( 119) = ( 0.1274510 0.1274510 0.1274510), wk = 0.0043290 k( 120) = ( 0.1372549 0.1372549 0.1372549), wk = 0.0043290 k( 121) = ( 0.1470588 0.1470588 0.1470588), wk = 0.0043290 k( 122) = ( 0.1568627 0.1568627 0.1568627), wk = 0.0043290 k( 123) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0043290 k( 124) = ( 0.1764706 0.1764706 0.1764706), wk = 0.0043290 k( 125) = ( 0.1862745 0.1862745 0.1862745), wk = 0.0043290 k( 126) = ( 0.1960784 0.1960784 0.1960784), wk = 0.0043290 k( 127) = ( 0.2058823 0.2058823 0.2058823), wk = 0.0043290 k( 128) = ( 0.2156863 0.2156863 0.2156863), wk = 0.0043290 k( 129) = ( 0.2254902 0.2254902 0.2254902), wk = 0.0043290 k( 130) = ( 0.2352941 0.2352941 0.2352941), wk = 0.0043290 k( 131) = ( 0.2450980 0.2450980 0.2450980), wk = 0.0043290 k( 132) = ( 0.2549020 0.2549020 0.2549020), wk = 0.0043290 k( 133) = ( 0.2647059 0.2647059 0.2647059), wk = 0.0043290 k( 134) = ( 0.2745098 0.2745098 0.2745098), wk = 0.0043290 k( 135) = ( 0.2843137 0.2843137 0.2843137), wk = 0.0043290 k( 136) = ( 0.2941177 0.2941177 0.2941177), wk = 0.0043290 k( 137) = ( 0.3039216 0.3039216 0.3039216), wk = 0.0043290 k( 138) = ( 0.3137255 0.3137255 0.3137255), wk = 0.0043290 k( 139) = ( 0.3235294 0.3235294 0.3235294), wk = 0.0043290 k( 140) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0043290 k( 141) = ( 0.3431373 0.3431373 0.3431373), wk = 0.0043290 k( 142) = ( 0.3529412 0.3529412 0.3529412), wk = 0.0043290 k( 143) = ( 0.3627451 0.3627451 0.3627451), wk = 0.0043290 k( 144) = ( 0.3725490 0.3725490 0.3725490), wk = 0.0043290 k( 145) = ( 0.3823529 0.3823529 0.3823529), wk = 0.0043290 k( 146) = ( 0.3921569 0.3921569 0.3921569), wk = 0.0043290 k( 147) = ( 0.4019608 0.4019608 0.4019608), wk = 0.0043290 k( 148) = ( 0.4117647 0.4117647 0.4117647), wk = 0.0043290 k( 149) = ( 0.4215686 0.4215686 0.4215686), wk = 0.0043290 k( 150) = ( 0.4313726 0.4313726 0.4313726), wk = 0.0043290 k( 151) = ( 0.4411765 0.4411765 0.4411765), wk = 0.0043290 k( 152) = ( 0.4509804 0.4509804 0.4509804), wk = 0.0043290 k( 153) = ( 0.4607843 0.4607843 0.4607843), wk = 0.0043290 k( 154) = ( 0.4705882 0.4705882 0.4705882), wk = 0.0043290 k( 155) = ( 0.4803922 0.4803922 0.4803922), wk = 0.0043290 k( 156) = ( 0.4901961 0.4901961 0.4901961), wk = 0.0043290 k( 157) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0043290 k( 158) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0043290 k( 159) = ( 0.4880952 0.5000000 0.4880952), wk = 0.0043290 k( 160) = ( 0.4761905 0.5000000 0.4761905), wk = 0.0043290 k( 161) = ( 0.4642857 0.5000000 0.4642857), wk = 0.0043290 k( 162) = ( 0.4523810 0.5000000 0.4523810), wk = 0.0043290 k( 163) = ( 0.4404762 0.5000000 0.4404762), wk = 0.0043290 k( 164) = ( 0.4285714 0.5000000 0.4285714), wk = 0.0043290 k( 165) = ( 0.4166667 0.5000000 0.4166667), wk = 0.0043290 k( 166) = ( 0.4047619 0.5000000 0.4047619), wk = 0.0043290 k( 167) = ( 0.3928571 0.5000000 0.3928571), wk = 0.0043290 k( 168) = ( 0.3809524 0.5000000 0.3809524), wk = 0.0043290 k( 169) = ( 0.3690476 0.5000000 0.3690476), wk = 0.0043290 k( 170) = ( 0.3571429 0.5000000 0.3571429), wk = 0.0043290 k( 171) = ( 0.3452381 0.5000000 0.3452381), wk = 0.0043290 k( 172) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0043290 k( 173) = ( 0.3214286 0.5000000 0.3214286), wk = 0.0043290 k( 174) = ( 0.3095238 0.5000000 0.3095238), wk = 0.0043290 k( 175) = ( 0.2976190 0.5000000 0.2976190), wk = 0.0043290 k( 176) = ( 0.2857143 0.5000000 0.2857143), wk = 0.0043290 k( 177) = ( 0.2738095 0.5000000 0.2738095), wk = 0.0043290 k( 178) = ( 0.2619048 0.5000000 0.2619048), wk = 0.0043290 k( 179) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0043290 k( 180) = ( 0.2380952 0.5000000 0.2380952), wk = 0.0043290 k( 181) = ( 0.2261905 0.5000000 0.2261905), wk = 0.0043290 k( 182) = ( 0.2142857 0.5000000 0.2142857), wk = 0.0043290 k( 183) = ( 0.2023810 0.5000000 0.2023810), wk = 0.0043290 k( 184) = ( 0.1904762 0.5000000 0.1904762), wk = 0.0043290 k( 185) = ( 0.1785714 0.5000000 0.1785714), wk = 0.0043290 k( 186) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0043290 k( 187) = ( 0.1547619 0.5000000 0.1547619), wk = 0.0043290 k( 188) = ( 0.1428571 0.5000000 0.1428571), wk = 0.0043290 k( 189) = ( 0.1309524 0.5000000 0.1309524), wk = 0.0043290 k( 190) = ( 0.1190476 0.5000000 0.1190476), wk = 0.0043290 k( 191) = ( 0.1071429 0.5000000 0.1071429), wk = 0.0043290 k( 192) = ( 0.0952381 0.5000000 0.0952381), wk = 0.0043290 k( 193) = ( 0.0833333 0.5000000 0.0833333), wk = 0.0043290 k( 194) = ( 0.0714286 0.5000000 0.0714286), wk = 0.0043290 k( 195) = ( 0.0595238 0.5000000 0.0595238), wk = 0.0043290 k( 196) = ( 0.0476191 0.5000000 0.0476191), wk = 0.0043290 k( 197) = ( 0.0357143 0.5000000 0.0357143), wk = 0.0043290 k( 198) = ( 0.0238095 0.5000000 0.0238095), wk = 0.0043290 k( 199) = ( 0.0119048 0.5000000 0.0119048), wk = 0.0043290 k( 200) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0043290 k( 201) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0043290 k( 202) = ( 0.5000000 0.5000000 0.0166667), wk = 0.0043290 k( 203) = ( 0.5000000 0.5000000 0.0333333), wk = 0.0043290 k( 204) = ( 0.5000000 0.5000000 0.0500000), wk = 0.0043290 k( 205) = ( 0.5000000 0.5000000 0.0666667), wk = 0.0043290 k( 206) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0043290 k( 207) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0043290 k( 208) = ( 0.5000000 0.5000000 0.1166667), wk = 0.0043290 k( 209) = ( 0.5000000 0.5000000 0.1333333), wk = 0.0043290 k( 210) = ( 0.5000000 0.5000000 0.1500000), wk = 0.0043290 k( 211) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0043290 k( 212) = ( 0.5000000 0.5000000 0.1833333), wk = 0.0043290 k( 213) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0043290 k( 214) = ( 0.5000000 0.5000000 0.2166667), wk = 0.0043290 k( 215) = ( 0.5000000 0.5000000 0.2333333), wk = 0.0043290 k( 216) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0043290 k( 217) = ( 0.5000000 0.5000000 0.2666667), wk = 0.0043290 k( 218) = ( 0.5000000 0.5000000 0.2833333), wk = 0.0043290 k( 219) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0043290 k( 220) = ( 0.5000000 0.5000000 0.3166667), wk = 0.0043290 k( 221) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0043290 k( 222) = ( 0.5000000 0.5000000 0.3500000), wk = 0.0043290 k( 223) = ( 0.5000000 0.5000000 0.3666667), wk = 0.0043290 k( 224) = ( 0.5000000 0.5000000 0.3833333), wk = 0.0043290 k( 225) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0043290 k( 226) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0043290 k( 227) = ( 0.5000000 0.5000000 0.4333333), wk = 0.0043290 k( 228) = ( 0.5000000 0.5000000 0.4500000), wk = 0.0043290 k( 229) = ( 0.5000000 0.5000000 0.4666667), wk = 0.0043290 k( 230) = ( 0.5000000 0.5000000 0.4833333), wk = 0.0043290 k( 231) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0043290 Dense grid: 285809 G-vectors FFT dimensions: ( 81, 81, 81) Smooth grid: 45769 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.44 Mb ( 332, 86) NL pseudopotentials 0.49 Mb ( 166, 194) Each V/rho on FFT grid 0.30 Mb ( 19683) Each G-vector array 0.06 Mb ( 7939) G-vector shells 0.01 Mb ( 1205) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.74 Mb ( 332, 344) Each subspace H/S matrix 0.11 Mb ( 86, 86) Each matrix 0.51 Mb ( 194, 2, 86) The potential is recalculated from file : ./RbCdxNO2x3.save/charge-density.dat Starting wfc are 106 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 5.3 secs Computing kpt #: 2 total cpu time spent up to now is 6.2 secs Computing kpt #: 3 total cpu time spent up to now is 7.1 secs Computing kpt #: 4 total cpu time spent up to now is 8.1 secs Computing kpt #: 5 total cpu time spent up to now is 9.0 secs Computing kpt #: 6 total cpu time spent up to now is 9.9 secs Computing kpt #: 7 total cpu time spent up to now is 10.8 secs Computing kpt #: 8 total cpu time spent up to now is 11.8 secs Computing kpt #: 9 total cpu time spent up to now is 12.7 secs Computing kpt #: 10 total cpu time spent up to now is 13.7 secs Computing kpt #: 11 total cpu time spent up to now is 14.6 secs Computing kpt #: 12 total cpu time spent up to now is 15.5 secs Computing kpt #: 13 total cpu time spent up to now is 16.5 secs Computing kpt #: 14 total cpu time spent up to now is 17.4 secs Computing kpt #: 15 total cpu time spent up to now is 18.3 secs Computing kpt #: 16 total cpu time spent up to now is 19.3 secs Computing kpt #: 17 total cpu time spent up to now is 20.2 secs Computing kpt #: 18 total cpu time spent up to now is 21.1 secs Computing kpt #: 19 total cpu time spent up to now is 22.1 secs Computing kpt #: 20 total cpu time spent up to now is 23.0 secs Computing kpt #: 21 total cpu time spent up to now is 24.0 secs Computing kpt #: 22 total cpu time spent up to now is 24.9 secs Computing kpt #: 23 total cpu time spent up to now is 25.8 secs Computing kpt #: 24 total cpu time spent up to now is 26.7 secs Computing kpt #: 25 total cpu time spent up to now is 27.7 secs Computing kpt #: 26 total cpu time spent up to now is 28.6 secs Computing kpt #: 27 total cpu time spent up to now is 29.5 secs Computing kpt #: 28 total cpu time spent up to now is 30.4 secs Computing kpt #: 29 total cpu time spent up to now is 31.3 secs Computing kpt #: 30 total cpu time spent up to now is 32.2 secs Computing kpt #: 31 total cpu time spent up to now is 33.1 secs Computing kpt #: 32 total cpu time spent up to now is 34.0 secs Computing kpt #: 33 total cpu time spent up to now is 34.9 secs Computing kpt #: 34 total cpu time spent up to now is 35.8 secs Computing kpt #: 35 total cpu time spent up to now is 36.7 secs Computing kpt #: 36 total cpu time spent up to now is 37.6 secs Computing kpt #: 37 total cpu time spent up to now is 38.5 secs Computing kpt #: 38 total cpu time spent up to now is 39.4 secs Computing kpt #: 39 total cpu time spent up to now is 40.4 secs Computing kpt #: 40 total cpu time spent up to now is 41.3 secs Computing kpt #: 41 total cpu time spent up to now is 42.2 secs Computing kpt #: 42 total cpu time spent up to now is 43.1 secs Computing kpt #: 43 total cpu time spent up to now is 44.0 secs Computing kpt #: 44 total cpu time spent up to now is 45.0 secs Computing kpt #: 45 total cpu time spent up to now is 46.1 secs Computing kpt #: 46 total cpu time spent up to now is 47.2 secs Computing kpt #: 47 total cpu time spent up to now is 48.1 secs Computing kpt #: 48 total cpu time spent up to now is 49.0 secs Computing kpt #: 49 total cpu time spent up to now is 49.9 secs Computing kpt #: 50 total cpu time spent up to now is 50.9 secs Computing kpt #: 51 total cpu time spent up to now is 51.8 secs Computing kpt #: 52 total cpu time spent up to now is 52.8 secs Computing kpt #: 53 total cpu time spent up to now is 53.7 secs Computing kpt #: 54 total cpu time spent up to now is 54.6 secs Computing kpt #: 55 total cpu time spent up to now is 55.5 secs Computing kpt #: 56 total cpu time spent up to now is 56.5 secs Computing kpt #: 57 total cpu time spent up to now is 57.4 secs Computing kpt #: 58 total cpu time spent up to now is 58.3 secs Computing kpt #: 59 total cpu time spent up to now is 59.2 secs Computing kpt #: 60 total cpu time spent up to now is 60.1 secs Computing kpt #: 61 total cpu time spent up to now is 61.0 secs Computing kpt #: 62 total cpu time spent up to now is 61.9 secs Computing kpt #: 63 total cpu time spent up to now is 62.8 secs Computing kpt #: 64 total cpu time spent up to now is 63.8 secs Computing kpt #: 65 total cpu time spent up to now is 64.7 secs Computing kpt #: 66 total cpu time spent up to now is 65.6 secs Computing kpt #: 67 total cpu time spent up to now is 66.5 secs Computing kpt #: 68 total cpu time spent up to now is 67.5 secs Computing kpt #: 69 total cpu time spent up to now is 68.4 secs Computing kpt #: 70 total cpu time spent up to now is 69.3 secs Computing kpt #: 71 total cpu time spent up to now is 70.2 secs Computing kpt #: 72 total cpu time spent up to now is 71.1 secs Computing kpt #: 73 total cpu time spent up to now is 72.1 secs Computing kpt #: 74 total cpu time spent up to now is 73.0 secs Computing kpt #: 75 total cpu time spent up to now is 74.0 secs Computing kpt #: 76 total cpu time spent up to now is 74.9 secs Computing kpt #: 77 total cpu time spent up to now is 75.9 secs Computing kpt #: 78 total cpu time spent up to now is 76.8 secs Computing kpt #: 79 total cpu time spent up to now is 77.8 secs Computing kpt #: 80 total cpu time spent up to now is 78.8 secs Computing kpt #: 81 total cpu time spent up to now is 79.7 secs Computing kpt #: 82 total cpu time spent up to now is 80.7 secs Computing kpt #: 83 total cpu time spent up to now is 81.6 secs Computing kpt #: 84 total cpu time spent up to now is 82.6 secs Computing kpt #: 85 total cpu time spent up to now is 83.5 secs Computing kpt #: 86 total cpu time spent up to now is 84.5 secs Computing kpt #: 87 total cpu time spent up to now is 85.4 secs Computing kpt #: 88 total cpu time spent up to now is 86.4 secs Computing kpt #: 89 total cpu time spent up to now is 87.3 secs Computing kpt #: 90 total cpu time spent up to now is 88.3 secs Computing kpt #: 91 total cpu time spent up to now is 89.2 secs Computing kpt #: 92 total cpu time spent up to now is 90.2 secs Computing kpt #: 93 total cpu time spent up to now is 91.1 secs Computing kpt #: 94 total cpu time spent up to now is 92.0 secs Computing kpt #: 95 total cpu time spent up to now is 93.0 secs Computing kpt #: 96 total cpu time spent up to now is 93.9 secs Computing kpt #: 97 total cpu time spent up to now is 94.8 secs Computing kpt #: 98 total cpu time spent up to now is 95.8 secs Computing kpt #: 99 total cpu time spent up to now is 96.7 secs Computing kpt #: 100 total cpu time spent up to now is 97.6 secs Computing kpt #: 101 total cpu time spent up to now is 98.5 secs Computing kpt #: 102 total cpu time spent up to now is 99.5 secs Computing kpt #: 103 total cpu time spent up to now is 100.4 secs Computing kpt #: 104 total cpu time spent up to now is 101.3 secs Computing kpt #: 105 total cpu time spent up to now is 102.2 secs Computing kpt #: 106 total cpu time spent up to now is 103.1 secs Computing kpt #: 107 total cpu time spent up to now is 104.1 secs Computing kpt #: 108 total cpu time spent up to now is 105.0 secs Computing kpt #: 109 total cpu time spent up to now is 105.9 secs Computing kpt #: 110 total cpu time spent up to now is 106.8 secs Computing kpt #: 111 total cpu time spent up to now is 107.8 secs Computing kpt #: 112 total cpu time spent up to now is 108.7 secs Computing kpt #: 113 total cpu time spent up to now is 109.6 secs Computing kpt #: 114 total cpu time spent up to now is 110.5 secs Computing kpt #: 115 total cpu time spent up to now is 111.4 secs Computing kpt #: 116 total cpu time spent up to now is 112.4 secs Computing kpt #: 117 total cpu time spent up to now is 113.4 secs Computing kpt #: 118 total cpu time spent up to now is 114.3 secs Computing kpt #: 119 total cpu time spent up to now is 115.2 secs Computing kpt #: 120 total cpu time spent up to now is 116.2 secs Computing kpt #: 121 total cpu time spent up to now is 117.1 secs Computing kpt #: 122 total cpu time spent up to now is 118.0 secs Computing kpt #: 123 total cpu time spent up to now is 119.0 secs Computing kpt #: 124 total cpu time spent up to now is 119.9 secs Computing kpt #: 125 total cpu time spent up to now is 120.9 secs Computing kpt #: 126 total cpu time spent up to now is 121.8 secs Computing kpt #: 127 total cpu time spent up to now is 122.8 secs Computing kpt #: 128 total cpu time spent up to now is 123.7 secs Computing kpt #: 129 total cpu time spent up to now is 124.7 secs Computing kpt #: 130 total cpu time spent up to now is 125.6 secs Computing kpt #: 131 total cpu time spent up to now is 126.5 secs Computing kpt #: 132 total cpu time spent up to now is 127.5 secs Computing kpt #: 133 total cpu time spent up to now is 128.4 secs Computing kpt #: 134 total cpu time spent up to now is 129.4 secs Computing kpt #: 135 total cpu time spent up to now is 130.3 secs Computing kpt #: 136 total cpu time spent up to now is 131.3 secs Computing kpt #: 137 total cpu time spent up to now is 132.2 secs Computing kpt #: 138 total cpu time spent up to now is 133.2 secs Computing kpt #: 139 total cpu time spent up to now is 134.1 secs Computing kpt #: 140 total cpu time spent up to now is 135.1 secs Computing kpt #: 141 total cpu time spent up to now is 136.0 secs Computing kpt #: 142 total cpu time spent up to now is 137.0 secs Computing kpt #: 143 total cpu time spent up to now is 137.9 secs Computing kpt #: 144 total cpu time spent up to now is 138.8 secs Computing kpt #: 145 total cpu time spent up to now is 139.8 secs Computing kpt #: 146 total cpu time spent up to now is 140.7 secs Computing kpt #: 147 total cpu time spent up to now is 141.6 secs Computing kpt #: 148 total cpu time spent up to now is 142.5 secs Computing kpt #: 149 total cpu time spent up to now is 143.5 secs Computing kpt #: 150 total cpu time spent up to now is 144.4 secs Computing kpt #: 151 total cpu time spent up to now is 145.3 secs Computing kpt #: 152 total cpu time spent up to now is 146.2 secs Computing kpt #: 153 total cpu time spent up to now is 147.1 secs Computing kpt #: 154 total cpu time spent up to now is 148.0 secs Computing kpt #: 155 total cpu time spent up to now is 148.9 secs Computing kpt #: 156 total cpu time spent up to now is 149.8 secs Computing kpt #: 157 total cpu time spent up to now is 150.7 secs Computing kpt #: 158 total cpu time spent up to now is 151.6 secs Computing kpt #: 159 total cpu time spent up to now is 152.5 secs Computing kpt #: 160 total cpu time spent up to now is 153.4 secs Computing kpt #: 161 total cpu time spent up to now is 154.3 secs Computing kpt #: 162 total cpu time spent up to now is 155.2 secs Computing kpt #: 163 total cpu time spent up to now is 156.1 secs Computing kpt #: 164 total cpu time spent up to now is 157.0 secs Computing kpt #: 165 total cpu time spent up to now is 158.0 secs Computing kpt #: 166 total cpu time spent up to now is 158.9 secs Computing kpt #: 167 total cpu time spent up to now is 159.8 secs Computing kpt #: 168 total cpu time spent up to now is 160.7 secs Computing kpt #: 169 total cpu time spent up to now is 161.7 secs Computing kpt #: 170 total cpu time spent up to now is 162.6 secs Computing kpt #: 171 total cpu time spent up to now is 163.5 secs Computing kpt #: 172 total cpu time spent up to now is 164.5 secs Computing kpt #: 173 total cpu time spent up to now is 165.4 secs Computing kpt #: 174 total cpu time spent up to now is 166.3 secs Computing kpt #: 175 total cpu time spent up to now is 167.2 secs Computing kpt #: 176 total cpu time spent up to now is 168.1 secs Computing kpt #: 177 total cpu time spent up to now is 169.1 secs Computing kpt #: 178 total cpu time spent up to now is 170.0 secs Computing kpt #: 179 total cpu time spent up to now is 171.0 secs Computing kpt #: 180 total cpu time spent up to now is 171.9 secs Computing kpt #: 181 total cpu time spent up to now is 172.8 secs Computing kpt #: 182 total cpu time spent up to now is 173.7 secs Computing kpt #: 183 total cpu time spent up to now is 174.6 secs Computing kpt #: 184 total cpu time spent up to now is 175.5 secs Computing kpt #: 185 total cpu time spent up to now is 176.4 secs Computing kpt #: 186 total cpu time spent up to now is 177.4 secs Computing kpt #: 187 total cpu time spent up to now is 178.3 secs Computing kpt #: 188 total cpu time spent up to now is 179.2 secs Computing kpt #: 189 total cpu time spent up to now is 180.1 secs Computing kpt #: 190 total cpu time spent up to now is 181.0 secs Computing kpt #: 191 total cpu time spent up to now is 182.0 secs Computing kpt #: 192 total cpu time spent up to now is 182.9 secs Computing kpt #: 193 total cpu time spent up to now is 183.8 secs Computing kpt #: 194 total cpu time spent up to now is 184.7 secs Computing kpt #: 195 total cpu time spent up to now is 185.7 secs Computing kpt #: 196 total cpu time spent up to now is 186.6 secs Computing kpt #: 197 total cpu time spent up to now is 187.4 secs Computing kpt #: 198 total cpu time spent up to now is 188.3 secs Computing kpt #: 199 total cpu time spent up to now is 189.2 secs Computing kpt #: 200 total cpu time spent up to now is 190.1 secs Computing kpt #: 201 total cpu time spent up to now is 191.0 secs Computing kpt #: 202 total cpu time spent up to now is 191.9 secs Computing kpt #: 203 total cpu time spent up to now is 192.8 secs Computing kpt #: 204 total cpu time spent up to now is 193.8 secs Computing kpt #: 205 total cpu time spent up to now is 194.7 secs Computing kpt #: 206 total cpu time spent up to now is 195.6 secs Computing kpt #: 207 total cpu time spent up to now is 196.5 secs Computing kpt #: 208 total cpu time spent up to now is 197.4 secs Computing kpt #: 209 total cpu time spent up to now is 198.4 secs Computing kpt #: 210 total cpu time spent up to now is 199.3 secs Computing kpt #: 211 total cpu time spent up to now is 200.2 secs Computing kpt #: 212 total cpu time spent up to now is 201.1 secs Computing kpt #: 213 total cpu time spent up to now is 202.1 secs Computing kpt #: 214 total cpu time spent up to now is 203.0 secs Computing kpt #: 215 total cpu time spent up to now is 203.9 secs Computing kpt #: 216 total cpu time spent up to now is 204.8 secs Computing kpt #: 217 total cpu time spent up to now is 205.8 secs Computing kpt #: 218 total cpu time spent up to now is 206.7 secs Computing kpt #: 219 total cpu time spent up to now is 207.6 secs Computing kpt #: 220 total cpu time spent up to now is 208.5 secs Computing kpt #: 221 total cpu time spent up to now is 209.4 secs Computing kpt #: 222 total cpu time spent up to now is 210.4 secs Computing kpt #: 223 total cpu time spent up to now is 211.3 secs Computing kpt #: 224 total cpu time spent up to now is 212.2 secs Computing kpt #: 225 total cpu time spent up to now is 213.1 secs Computing kpt #: 226 total cpu time spent up to now is 214.0 secs Computing kpt #: 227 total cpu time spent up to now is 214.9 secs Computing kpt #: 228 total cpu time spent up to now is 215.8 secs Computing kpt #: 229 total cpu time spent up to now is 216.7 secs Computing kpt #: 230 total cpu time spent up to now is 217.6 secs Computing kpt #: 231 total cpu time spent up to now is 218.5 secs ethr = 1.39E-08, avg # of iterations = 11.9 total cpu time spent up to now is 218.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5695 PWs) bands (ev): -20.4706 -20.4706 -17.7851 -17.7851 -17.5274 -17.5274 -17.5274 -17.5274 -15.5885 -15.5885 -15.5883 -15.5883 -15.5883 -15.5883 -7.5237 -7.5237 -7.5237 -7.5237 -7.1958 -7.1958 -5.2987 -5.2987 -4.4936 -4.4936 -4.4936 -4.4936 -3.1501 -3.1501 -3.1501 -3.1501 -2.5076 -2.5076 -2.4351 -2.4351 -2.4351 -2.4351 -2.4187 -2.4187 -2.4070 -2.4070 -2.4070 -2.4070 -1.9042 -1.9042 -1.8640 -1.8640 -1.8640 -1.8640 -0.7810 -0.7810 -0.7357 -0.7357 -0.7357 -0.7357 1.3512 1.3512 1.3585 1.3585 1.3585 1.3585 1.7815 1.7815 1.7815 1.7815 1.8042 1.8042 3.5073 3.5073 5.0384 5.0384 5.0674 5.0674 5.0674 5.0674 5.6900 5.6900 5.6900 5.6900 5.7154 5.7154 5.7238 5.7238 5.7238 5.7238 6.2802 6.2802 k = 0.0000 0.0167-0.0000 ( 5707 PWs) bands (ev): -20.4706 -20.4706 -17.7849 -17.7849 -17.5276 -17.5276 -17.5273 -17.5273 -15.5888 -15.5888 -15.5884 -15.5884 -15.5883 -15.5883 -7.5237 -7.5237 -7.5226 -7.5226 -7.1957 -7.1957 -5.2984 -5.2984 -4.4936 -4.4936 -4.4930 -4.4930 -3.1507 -3.1507 -3.1501 -3.1501 -2.5078 -2.5078 -2.4412 -2.4412 -2.4352 -2.4352 -2.4175 -2.4175 -2.4070 -2.4070 -2.4067 -2.4067 -1.9035 -1.9035 -1.8640 -1.8640 -1.8624 -1.8624 -0.7815 -0.7815 -0.7365 -0.7365 -0.7361 -0.7361 1.3516 1.3516 1.3588 1.3588 1.3590 1.3590 1.7813 1.7813 1.7813 1.7813 1.8039 1.8039 3.5101 3.5101 5.0386 5.0386 5.0673 5.0673 5.0680 5.0680 5.6858 5.6858 5.6918 5.6918 5.7165 5.7165 5.7237 5.7237 5.7264 5.7264 6.2821 6.2821 k = 0.0000 0.0333-0.0000 ( 5711 PWs) bands (ev): -20.4705 -20.4705 -17.7844 -17.7844 -17.5281 -17.5281 -17.5270 -17.5270 -15.5898 -15.5898 -15.5884 -15.5884 -15.5883 -15.5883 -7.5238 -7.5238 -7.5196 -7.5196 -7.1953 -7.1953 -5.2975 -5.2975 -4.4935 -4.4935 -4.4912 -4.4912 -3.1522 -3.1522 -3.1501 -3.1501 -2.5080 -2.5080 -2.4553 -2.4553 -2.4356 -2.4356 -2.4164 -2.4164 -2.4073 -2.4073 -2.4070 -2.4070 -1.9017 -1.9017 -1.8640 -1.8640 -1.8577 -1.8577 -0.7831 -0.7831 -0.7391 -0.7391 -0.7372 -0.7372 1.3527 1.3527 1.3596 1.3596 1.3604 1.3604 1.7805 1.7805 1.7806 1.7806 1.8032 1.8032 3.5184 3.5184 5.0393 5.0393 5.0669 5.0669 5.0699 5.0699 5.6759 5.6759 5.6970 5.6970 5.7174 5.7174 5.7235 5.7235 5.7339 5.7339 6.2881 6.2881 k = 0.0000 0.0500-0.0000 ( 5699 PWs) bands (ev): -20.4704 -20.4704 -17.7836 -17.7836 -17.5288 -17.5288 -17.5265 -17.5265 -15.5915 -15.5915 -15.5885 -15.5885 -15.5883 -15.5883 -7.5238 -7.5238 -7.5145 -7.5145 -7.1944 -7.1944 -5.2961 -5.2961 -4.4934 -4.4934 -4.4881 -4.4881 -3.1547 -3.1547 -3.1500 -3.1500 -2.5083 -2.5083 -2.4742 -2.4742 -2.4366 -2.4366 -2.4164 -2.4164 -2.4103 -2.4103 -2.4070 -2.4070 -1.8994 -1.8994 -1.8633 -1.8633 -1.8497 -1.8497 -0.7857 -0.7857 -0.7433 -0.7433 -0.7390 -0.7390 1.3544 1.3544 1.3611 1.3611 1.3627 1.3627 1.7791 1.7791 1.7794 1.7794 1.8019 1.8019 3.5321 3.5321 5.0401 5.0401 5.0667 5.0667 5.0732 5.0732 5.6633 5.6633 5.7045 5.7045 5.7176 5.7176 5.7233 5.7233 5.7453 5.7453 6.2979 6.2979 k = 0.0000 0.0667-0.0000 ( 5683 PWs) bands (ev): -20.4703 -20.4703 -17.7824 -17.7824 -17.5299 -17.5299 -17.5258 -17.5258 -15.5939 -15.5939 -15.5885 -15.5885 -15.5883 -15.5883 -7.5240 -7.5240 -7.5077 -7.5077 -7.1931 -7.1931 -5.2941 -5.2941 -4.4932 -4.4932 -4.4839 -4.4839 -3.1582 -3.1582 -3.1499 -3.1499 -2.5088 -2.5088 -2.4968 -2.4968 -2.4388 -2.4388 -2.4195 -2.4195 -2.4137 -2.4137 -2.4068 -2.4068 -1.8979 -1.8979 -1.8614 -1.8614 -1.8385 -1.8385 -0.7894 -0.7894 -0.7492 -0.7492 -0.7415 -0.7415 1.3565 1.3565 1.3633 1.3633 1.3661 1.3661 1.7773 1.7773 1.7778 1.7778 1.8001 1.8001 3.5511 3.5511 5.0404 5.0404 5.0669 5.0669 5.0779 5.0779 5.6487 5.6487 5.7119 5.7119 5.7179 5.7179 5.7230 5.7230 5.7607 5.7607 6.3116 6.3116 k = 0.0000 0.0833-0.0000 ( 5674 PWs) bands (ev): -20.4701 -20.4701 -17.7809 -17.7809 -17.5313 -17.5313 -17.5248 -17.5248 -15.5969 -15.5969 -15.5885 -15.5885 -15.5883 -15.5883 -7.5241 -7.5241 -7.4993 -7.4993 -7.1911 -7.1911 -5.2916 -5.2916 -4.4929 -4.4929 -4.4785 -4.4785 -3.1628 -3.1628 -3.1498 -3.1498 -2.5228 -2.5228 -2.5092 -2.5092 -2.4450 -2.4450 -2.4257 -2.4257 -2.4148 -2.4148 -2.4065 -2.4065 -1.8981 -1.8981 -1.8573 -1.8573 -1.8241 -1.8241 -0.7943 -0.7943 -0.7566 -0.7566 -0.7445 -0.7445 1.3588 1.3588 1.3664 1.3664 1.3705 1.3705 1.7750 1.7750 1.7757 1.7757 1.7979 1.7979 3.5752 3.5752 5.0400 5.0400 5.0681 5.0681 5.0843 5.0843 5.6323 5.6323 5.7145 5.7145 5.7218 5.7218 5.7229 5.7229 5.7808 5.7808 6.3292 6.3292 k = 0.0000 0.1000-0.0000 ( 5686 PWs) bands (ev): -20.4698 -20.4698 -17.7790 -17.7790 -17.5330 -17.5330 -17.5237 -17.5237 -15.6005 -15.6005 -15.5885 -15.5885 -15.5882 -15.5882 -7.5243 -7.5243 -7.4896 -7.4896 -7.1883 -7.1883 -5.2886 -5.2886 -4.4926 -4.4926 -4.4720 -4.4720 -3.1685 -3.1685 -3.1497 -3.1497 -2.5518 -2.5518 -2.5100 -2.5100 -2.4583 -2.4583 -2.4295 -2.4295 -2.4156 -2.4156 -2.4059 -2.4059 -1.9002 -1.9002 -1.8508 -1.8508 -1.8070 -1.8070 -0.8006 -0.8006 -0.7655 -0.7655 -0.7478 -0.7478 1.3613 1.3613 1.3701 1.3701 1.3759 1.3759 1.7722 1.7722 1.7732 1.7732 1.7952 1.7952 3.6041 3.6041 5.0385 5.0385 5.0703 5.0703 5.0923 5.0923 5.6143 5.6143 5.7135 5.7135 5.7230 5.7230 5.7273 5.7273 5.8056 5.8056 6.3504 6.3504 k = 0.0000 0.1167-0.0000 ( 5682 PWs) bands (ev): -20.4696 -20.4696 -17.7769 -17.7769 -17.5350 -17.5350 -17.5224 -17.5224 -15.6047 -15.6047 -15.5885 -15.5885 -15.5882 -15.5882 -7.5245 -7.5245 -7.4789 -7.4789 -7.1842 -7.1842 -5.2852 -5.2852 -4.4923 -4.4923 -4.4644 -4.4644 -3.1751 -3.1751 -3.1495 -3.1495 -2.5838 -2.5838 -2.5110 -2.5110 -2.4767 -2.4767 -2.4311 -2.4311 -2.4164 -2.4164 -2.4052 -2.4052 -1.9042 -1.9042 -1.8421 -1.8421 -1.7877 -1.7877 -0.8081 -0.8081 -0.7758 -0.7758 -0.7515 -0.7515 1.3641 1.3641 1.3746 1.3746 1.3822 1.3822 1.7690 1.7690 1.7703 1.7703 1.7921 1.7921 3.6375 3.6375 5.0363 5.0363 5.0736 5.0736 5.1019 5.1019 5.5949 5.5949 5.7116 5.7116 5.7232 5.7232 5.7318 5.7318 5.8348 5.8348 6.3754 6.3754 k = 0.0000 0.1333-0.0000 ( 5678 PWs) bands (ev): -20.4693 -20.4693 -17.7745 -17.7745 -17.5373 -17.5373 -17.5210 -17.5210 -15.6094 -15.6094 -15.5885 -15.5885 -15.5881 -15.5881 -7.5248 -7.5248 -7.4676 -7.4676 -7.1786 -7.1786 -5.2815 -5.2815 -4.4919 -4.4919 -4.4558 -4.4558 -3.1828 -3.1828 -3.1494 -3.1494 -2.6190 -2.6190 -2.5134 -2.5134 -2.4967 -2.4967 -2.4319 -2.4319 -2.4175 -2.4175 -2.4043 -2.4043 -1.9096 -1.9096 -1.8316 -1.8316 -1.7664 -1.7664 -0.8171 -0.8171 -0.7874 -0.7874 -0.7553 -0.7553 1.3670 1.3670 1.3797 1.3797 1.3894 1.3894 1.7654 1.7654 1.7669 1.7669 1.7887 1.7887 3.6751 3.6751 5.0338 5.0338 5.0776 5.0776 5.1131 5.1131 5.5741 5.5741 5.7092 5.7092 5.7236 5.7236 5.7351 5.7351 5.8674 5.8674 6.4042 6.4042 k = 0.0000 0.1500-0.0000 ( 5678 PWs) bands (ev): -20.4689 -20.4689 -17.7717 -17.7717 -17.5398 -17.5398 -17.5193 -17.5193 -15.6146 -15.6146 -15.5885 -15.5885 -15.5881 -15.5881 -7.5250 -7.5250 -7.4563 -7.4563 -7.1712 -7.1712 -5.2775 -5.2775 -4.4914 -4.4914 -4.4462 -4.4462 -3.1915 -3.1915 -3.1492 -3.1492 -2.6576 -2.6576 -2.5260 -2.5260 -2.5081 -2.5081 -2.4324 -2.4324 -2.4188 -2.4188 -2.4032 -2.4032 -1.9160 -1.9160 -1.8196 -1.8196 -1.7438 -1.7438 -0.8275 -0.8275 -0.8002 -0.8002 -0.7592 -0.7592 1.3702 1.3702 1.3854 1.3854 1.3974 1.3974 1.7615 1.7615 1.7633 1.7633 1.7848 1.7848 3.7166 3.7166 5.0312 5.0312 5.0822 5.0822 5.1257 5.1257 5.5521 5.5521 5.7062 5.7062 5.7242 5.7242 5.7371 5.7371 5.9027 5.9027 6.4367 6.4367 k = 0.0000 0.1667-0.0000 ( 5670 PWs) bands (ev): -20.4686 -20.4686 -17.7687 -17.7687 -17.5426 -17.5426 -17.5176 -17.5176 -15.6202 -15.6202 -15.5886 -15.5886 -15.5880 -15.5880 -7.5253 -7.5253 -7.4454 -7.4454 -7.1614 -7.1614 -5.2732 -5.2732 -4.4909 -4.4909 -4.4357 -4.4357 -3.2011 -3.2011 -3.1490 -3.1490 -2.6996 -2.6996 -2.5481 -2.5481 -2.5102 -2.5102 -2.4327 -2.4327 -2.4201 -2.4201 -2.4020 -2.4020 -1.9233 -1.9233 -1.8061 -1.8061 -1.7202 -1.7202 -0.8393 -0.8393 -0.8140 -0.8140 -0.7633 -0.7633 1.3737 1.3737 1.3916 1.3916 1.4059 1.4059 1.7573 1.7573 1.7592 1.7592 1.7807 1.7807 3.7614 3.7614 5.0291 5.0291 5.0872 5.0872 5.1396 5.1396 5.5289 5.5289 5.7028 5.7028 5.7249 5.7249 5.7381 5.7381 5.9399 5.9399 6.4731 6.4731 k = 0.0000 0.1833-0.0000 ( 5678 PWs) bands (ev): -20.4682 -20.4682 -17.7654 -17.7654 -17.5457 -17.5457 -17.5157 -17.5157 -15.6262 -15.6262 -15.5886 -15.5886 -15.5879 -15.5879 -7.5256 -7.5256 -7.4354 -7.4354 -7.1491 -7.1491 -5.2688 -5.2688 -4.4904 -4.4904 -4.4243 -4.4243 -3.2117 -3.2117 -3.1489 -3.1489 -2.7449 -2.7449 -2.5711 -2.5711 -2.5111 -2.5111 -2.4329 -2.4329 -2.4217 -2.4217 -2.4008 -2.4008 -1.9313 -1.9313 -1.7915 -1.7915 -1.6958 -1.6958 -0.8525 -0.8525 -0.8288 -0.8288 -0.7673 -0.7673 1.3774 1.3774 1.3983 1.3983 1.4151 1.4151 1.7528 1.7528 1.7549 1.7549 1.7762 1.7762 3.8092 3.8092 5.0276 5.0276 5.0925 5.0925 5.1547 5.1547 5.5048 5.5048 5.6989 5.6989 5.7256 5.7256 5.7378 5.7378 5.9782 5.9782 6.5131 6.5131 k = 0.0000 0.2000-0.0000 ( 5686 PWs) bands (ev): -20.4678 -20.4678 -17.7619 -17.7619 -17.5490 -17.5490 -17.5137 -17.5137 -15.6324 -15.6324 -15.5886 -15.5886 -15.5878 -15.5878 -7.5258 -7.5258 -7.4267 -7.4267 -7.1340 -7.1340 -5.2642 -5.2642 -4.4898 -4.4898 -4.4122 -4.4122 -3.2232 -3.2232 -3.1488 -3.1488 -2.7933 -2.7933 -2.5933 -2.5933 -2.5117 -2.5117 -2.4331 -2.4331 -2.4233 -2.4233 -2.3995 -2.3995 -1.9398 -1.9398 -1.7758 -1.7758 -1.6710 -1.6710 -0.8670 -0.8670 -0.8444 -0.8444 -0.7714 -0.7714 1.3813 1.3813 1.4053 1.4053 1.4246 1.4246 1.7481 1.7481 1.7503 1.7503 1.7715 1.7715 3.8594 3.8594 5.0270 5.0270 5.0981 5.0981 5.1708 5.1708 5.4798 5.4798 5.6945 5.6945 5.7264 5.7264 5.7363 5.7363 6.0168 6.0168 6.5569 6.5569 k = 0.0000 0.2167-0.0000 ( 5686 PWs) bands (ev): -20.4674 -20.4674 -17.7582 -17.7582 -17.5525 -17.5525 -17.5117 -17.5117 -15.6388 -15.6388 -15.5887 -15.5887 -15.5878 -15.5878 -7.5261 -7.5261 -7.4195 -7.4195 -7.1159 -7.1159 -5.2596 -5.2596 -4.4891 -4.4891 -4.3995 -4.3995 -3.2353 -3.2353 -3.1488 -3.1488 -2.8444 -2.8444 -2.6143 -2.6143 -2.5121 -2.5121 -2.4332 -2.4332 -2.4249 -2.4249 -2.3981 -2.3981 -1.9488 -1.9488 -1.7591 -1.7591 -1.6459 -1.6459 -0.8827 -0.8827 -0.8606 -0.8606 -0.7755 -0.7755 1.3855 1.3855 1.4127 1.4127 1.4344 1.4344 1.7432 1.7432 1.7456 1.7456 1.7667 1.7667 3.9117 3.9117 5.0276 5.0276 5.1038 5.1038 5.1878 5.1878 5.4541 5.4541 5.6895 5.6895 5.7273 5.7273 5.7336 5.7336 6.0553 6.0553 6.6042 6.6042 k = 0.0000 0.2333-0.0000 ( 5698 PWs) bands (ev): -20.4670 -20.4670 -17.7542 -17.7542 -17.5562 -17.5562 -17.5096 -17.5096 -15.6455 -15.6455 -15.5887 -15.5887 -15.5877 -15.5877 -7.5263 -7.5263 -7.4138 -7.4138 -7.0951 -7.0951 -5.2550 -5.2550 -4.4884 -4.4884 -4.3862 -4.3862 -3.2483 -3.2483 -3.1488 -3.1488 -2.8974 -2.8974 -2.6339 -2.6339 -2.5124 -2.5124 -2.4333 -2.4333 -2.4267 -2.4267 -2.3967 -2.3967 -1.9580 -1.9580 -1.7414 -1.7414 -1.6207 -1.6207 -0.8997 -0.8997 -0.8775 -0.8775 -0.7796 -0.7796 1.3898 1.3898 1.4203 1.4203 1.4444 1.4444 1.7381 1.7381 1.7407 1.7407 1.7617 1.7617 3.9654 3.9654 5.0295 5.0295 5.1097 5.1097 5.2056 5.2056 5.4279 5.4279 5.6841 5.6841 5.7282 5.7282 5.7297 5.7297 6.0930 6.0930 6.6547 6.6547 k = 0.0000 0.2500-0.0000 ( 5694 PWs) bands (ev): -20.4666 -20.4666 -17.7500 -17.7500 -17.5602 -17.5602 -17.5074 -17.5074 -15.6521 -15.6521 -15.5888 -15.5888 -15.5876 -15.5876 -7.5266 -7.5266 -7.4097 -7.4097 -7.0718 -7.0718 -5.2504 -5.2504 -4.4877 -4.4877 -4.3725 -4.3725 -3.2617 -3.2617 -3.1489 -3.1489 -2.9518 -2.9518 -2.6519 -2.6519 -2.5125 -2.5125 -2.4333 -2.4333 -2.4284 -2.4284 -2.3953 -2.3953 -1.9674 -1.9674 -1.7230 -1.7230 -1.5957 -1.5957 -0.9177 -0.9177 -0.8948 -0.8948 -0.7836 -0.7836 1.3944 1.3944 1.4281 1.4281 1.4545 1.4545 1.7328 1.7328 1.7357 1.7357 1.7567 1.7567 4.0200 4.0200 5.0331 5.0331 5.1155 5.1155 5.2241 5.2241 5.4012 5.4012 5.6781 5.6781 5.7242 5.7242 5.7294 5.7294 6.1295 6.1295 6.7080 6.7080 k = 0.0000 0.2667-0.0000 ( 5686 PWs) bands (ev): -20.4662 -20.4662 -17.7457 -17.7457 -17.5643 -17.5643 -17.5052 -17.5052 -15.6588 -15.6588 -15.5888 -15.5888 -15.5875 -15.5875 -7.5268 -7.5268 -7.4070 -7.4070 -7.0465 -7.0465 -5.2460 -5.2460 -4.4870 -4.4870 -4.3585 -4.3585 -3.2757 -3.2757 -3.1492 -3.1492 -3.0067 -3.0067 -2.6683 -2.6683 -2.5124 -2.5124 -2.4333 -2.4333 -2.4301 -2.4301 -2.3939 -2.3939 -1.9769 -1.9769 -1.7039 -1.7039 -1.5707 -1.5707 -0.9366 -0.9366 -0.9125 -0.9125 -0.7876 -0.7876 1.3990 1.3990 1.4360 1.4360 1.4645 1.4645 1.7274 1.7274 1.7307 1.7307 1.7516 1.7516 4.0750 4.0750 5.0384 5.0384 5.1213 5.1213 5.2431 5.2431 5.3743 5.3743 5.6716 5.6716 5.7175 5.7175 5.7305 5.7305 6.1647 6.1647 6.7636 6.7636 k = 0.0000 0.2833-0.0000 ( 5702 PWs) bands (ev): -20.4657 -20.4657 -17.7412 -17.7412 -17.5685 -17.5685 -17.5031 -17.5031 -15.6654 -15.6654 -15.5888 -15.5888 -15.5874 -15.5874 -7.5270 -7.5270 -7.4055 -7.4055 -7.0195 -7.0195 -5.2416 -5.2416 -4.4862 -4.4862 -4.3443 -4.3443 -3.2903 -3.2903 -3.1501 -3.1501 -3.0610 -3.0610 -2.6834 -2.6834 -2.5123 -2.5123 -2.4333 -2.4333 -2.4318 -2.4318 -2.3925 -2.3925 -1.9863 -1.9863 -1.6843 -1.6843 -1.5461 -1.5461 -0.9565 -0.9565 -0.9306 -0.9306 -0.7914 -0.7914 1.4038 1.4038 1.4441 1.4441 1.4743 1.4743 1.7218 1.7218 1.7258 1.7258 1.7467 1.7467 4.1298 4.1298 5.0457 5.0457 5.1270 5.1270 5.2624 5.2624 5.3474 5.3474 5.6644 5.6644 5.7094 5.7094 5.7317 5.7317 6.1981 6.1981 6.8206 6.8206 k = 0.0000 0.3000-0.0000 ( 5698 PWs) bands (ev): -20.4653 -20.4653 -17.7366 -17.7366 -17.5729 -17.5729 -17.5009 -17.5009 -15.6719 -15.6719 -15.5889 -15.5889 -15.5874 -15.5874 -7.5272 -7.5272 -7.4050 -7.4050 -6.9914 -6.9914 -5.2375 -5.2375 -4.4855 -4.4855 -4.3301 -4.3301 -3.3055 -3.3055 -3.1534 -3.1534 -3.1117 -3.1117 -2.6968 -2.6968 -2.5120 -2.5120 -2.4337 -2.4337 -2.4331 -2.4331 -2.3912 -2.3912 -1.9956 -1.9956 -1.6642 -1.6642 -1.5218 -1.5218 -0.9770 -0.9770 -0.9488 -0.9488 -0.7951 -0.7951 1.4086 1.4086 1.4521 1.4521 1.4839 1.4839 1.7162 1.7162 1.7209 1.7209 1.7419 1.7419 4.1837 4.1837 5.0550 5.0550 5.1325 5.1325 5.2819 5.2819 5.3207 5.3207 5.6567 5.6567 5.6998 5.6998 5.7328 5.7328 6.2298 6.2298 6.8784 6.8784 k = 0.0000 0.3167-0.0000 ( 5706 PWs) bands (ev): -20.4649 -20.4649 -17.7320 -17.7320 -17.5773 -17.5773 -17.4988 -17.4988 -15.6782 -15.6782 -15.5889 -15.5889 -15.5873 -15.5873 -7.5274 -7.5274 -7.4052 -7.4052 -6.9628 -6.9628 -5.2335 -5.2335 -4.4847 -4.4847 -4.3160 -4.3160 -3.3217 -3.3217 -3.1769 -3.1769 -3.1402 -3.1402 -2.7090 -2.7090 -2.5116 -2.5116 -2.4352 -2.4352 -2.4331 -2.4331 -2.3899 -2.3899 -2.0047 -2.0047 -1.6437 -1.6437 -1.4978 -1.4978 -0.9981 -0.9981 -0.9672 -0.9672 -0.7987 -0.7987 1.4134 1.4134 1.4600 1.4600 1.4930 1.4930 1.7105 1.7105 1.7161 1.7161 1.7374 1.7374 4.2363 4.2363 5.0663 5.0663 5.1378 5.1378 5.2916 5.2916 5.3042 5.3042 5.6484 5.6484 5.6889 5.6889 5.7340 5.7340 6.2595 6.2595 6.9361 6.9361 k = 0.0000 0.3333-0.0000 ( 5718 PWs) bands (ev): -20.4646 -20.4646 -17.7273 -17.7273 -17.5818 -17.5818 -17.4968 -17.4968 -15.6842 -15.6842 -15.5890 -15.5890 -15.5872 -15.5872 -7.5275 -7.5275 -7.4059 -7.4059 -6.9342 -6.9342 -5.2298 -5.2298 -4.4840 -4.4840 -4.3021 -4.3021 -3.3395 -3.3395 -3.2210 -3.2210 -3.1445 -3.1445 -2.7198 -2.7198 -2.5112 -2.5112 -2.4368 -2.4368 -2.4330 -2.4330 -2.3886 -2.3886 -2.0133 -2.0133 -1.6232 -1.6232 -1.4743 -1.4743 -1.0198 -1.0198 -0.9856 -0.9856 -0.8021 -0.8021 1.4181 1.4181 1.4678 1.4678 1.5016 1.5016 1.7048 1.7048 1.7114 1.7114 1.7332 1.7332 4.2869 4.2869 5.0797 5.0797 5.1428 5.1428 5.2669 5.2669 5.3227 5.3227 5.6394 5.6394 5.6765 5.6765 5.7352 5.7352 6.2873 6.2873 6.9928 6.9928 k = 0.0000 0.3500-0.0000 ( 5706 PWs) bands (ev): -20.4642 -20.4642 -17.7225 -17.7225 -17.5863 -17.5863 -17.4949 -17.4949 -15.6898 -15.6898 -15.5890 -15.5890 -15.5871 -15.5871 -7.5276 -7.5276 -7.4071 -7.4071 -6.9063 -6.9063 -5.2264 -5.2264 -4.4833 -4.4833 -4.2887 -4.2887 -3.3604 -3.3604 -3.2623 -3.2623 -3.1455 -3.1455 -2.7292 -2.7292 -2.5107 -2.5107 -2.4382 -2.4382 -2.4329 -2.4329 -2.3874 -2.3874 -2.0216 -2.0216 -1.6027 -1.6027 -1.4513 -1.4513 -1.0417 -1.0417 -1.0038 -1.0038 -0.8052 -0.8052 1.4227 1.4227 1.4754 1.4754 1.5096 1.5096 1.6992 1.6992 1.7067 1.7067 1.7294 1.7294 4.3349 4.3349 5.0949 5.0949 5.1475 5.1475 5.2417 5.2417 5.3425 5.3425 5.6298 5.6298 5.6630 5.6630 5.7363 5.7363 6.3130 6.3130 7.0477 7.0477 k = 0.0000 0.3667-0.0000 ( 5694 PWs) bands (ev): -20.4639 -20.4639 -17.7179 -17.7179 -17.5908 -17.5908 -17.4932 -17.4932 -15.6951 -15.6951 -15.5890 -15.5890 -15.5871 -15.5871 -7.5277 -7.5277 -7.4084 -7.4084 -6.8794 -6.8794 -5.2233 -5.2233 -4.4826 -4.4826 -4.2758 -4.2758 -3.3862 -3.3862 -3.2956 -3.2956 -3.1458 -3.1458 -2.7374 -2.7374 -2.5101 -2.5101 -2.4395 -2.4395 -2.4327 -2.4327 -2.3864 -2.3864 -2.0292 -2.0292 -1.5825 -1.5825 -1.4287 -1.4287 -1.0638 -1.0638 -1.0216 -1.0216 -0.8081 -0.8081 1.4271 1.4271 1.4826 1.4826 1.5169 1.5169 1.6938 1.6938 1.7023 1.7023 1.7260 1.7260 4.3799 4.3799 5.1117 5.1117 5.1519 5.1519 5.2177 5.2177 5.3623 5.3623 5.6195 5.6195 5.6483 5.6483 5.7374 5.7374 6.3365 6.3365 7.0998 7.0998 k = 0.0000 0.3833-0.0000 ( 5702 PWs) bands (ev): -20.4636 -20.4636 -17.7134 -17.7134 -17.5951 -17.5951 -17.4916 -17.4916 -15.6998 -15.6998 -15.5890 -15.5890 -15.5870 -15.5870 -7.5278 -7.5278 -7.4099 -7.4099 -6.8542 -6.8542 -5.2204 -5.2204 -4.4819 -4.4819 -4.2637 -4.2637 -3.4169 -3.4169 -3.3199 -3.3199 -3.1460 -3.1460 -2.7445 -2.7445 -2.5095 -2.5095 -2.4408 -2.4408 -2.4326 -2.4326 -2.3854 -2.3854 -2.0362 -2.0362 -1.5628 -1.5628 -1.4066 -1.4066 -1.0861 -1.0861 -1.0388 -1.0388 -0.8108 -0.8108 1.4313 1.4313 1.4895 1.4895 1.5235 1.5235 1.6887 1.6887 1.6980 1.6980 1.7232 1.7232 4.4213 4.4213 5.1288 5.1288 5.1561 5.1561 5.1957 5.1957 5.3819 5.3819 5.6086 5.6086 5.6326 5.6326 5.7384 5.7384 6.3577 6.3577 7.1482 7.1482 k = 0.0000 0.4000-0.0000 ( 5718 PWs) bands (ev): -20.4633 -20.4633 -17.7091 -17.7091 -17.5993 -17.5993 -17.4901 -17.4901 -15.7041 -15.7041 -15.5891 -15.5891 -15.5870 -15.5870 -7.5278 -7.5278 -7.4113 -7.4113 -6.8312 -6.8312 -5.2179 -5.2179 -4.4814 -4.4814 -4.2526 -4.2526 -3.4494 -3.4494 -3.3372 -3.3372 -3.1462 -3.1462 -2.7506 -2.7506 -2.5091 -2.5091 -2.4418 -2.4418 -2.4325 -2.4325 -2.3845 -2.3845 -2.0425 -2.0425 -1.5441 -1.5441 -1.3851 -1.3851 -1.1082 -1.1082 -1.0551 -1.0551 -0.8131 -0.8131 1.4351 1.4351 1.4958 1.4958 1.5293 1.5293 1.6838 1.6838 1.6940 1.6940 1.7207 1.7207 4.4586 4.4586 5.1422 5.1422 5.1608 5.1608 5.1792 5.1792 5.4011 5.4011 5.5970 5.5970 5.6163 5.6163 5.7394 5.7394 6.3765 6.3765 7.1921 7.1921 k = 0.0000 0.4167-0.0000 ( 5698 PWs) bands (ev): -20.4631 -20.4631 -17.7050 -17.7050 -17.6032 -17.6032 -17.4889 -17.4889 -15.7077 -15.7077 -15.5891 -15.5891 -15.5869 -15.5869 -7.5279 -7.5279 -7.4127 -7.4127 -6.8107 -6.8107 -5.2158 -5.2158 -4.4809 -4.4809 -4.2426 -4.2426 -3.4806 -3.4806 -3.3497 -3.3497 -3.1462 -3.1462 -2.7555 -2.7555 -2.5084 -2.5084 -2.4428 -2.4428 -2.4323 -2.4323 -2.3837 -2.3837 -2.0480 -2.0480 -1.5267 -1.5267 -1.3642 -1.3642 -1.1300 -1.1300 -1.0702 -1.0702 -0.8151 -0.8151 1.4386 1.4386 1.5015 1.5015 1.5342 1.5342 1.6794 1.6794 1.6904 1.6904 1.7188 1.7188 4.4913 4.4913 5.1405 5.1405 5.1631 5.1631 5.1820 5.1820 5.4200 5.4200 5.5849 5.5849 5.5999 5.5999 5.7402 5.7402 6.3927 6.3927 7.2307 7.2307 k = 0.0000 0.4333-0.0000 ( 5690 PWs) bands (ev): -20.4629 -20.4629 -17.7014 -17.7014 -17.6067 -17.6067 -17.4878 -17.4878 -15.7108 -15.7108 -15.5891 -15.5891 -15.5869 -15.5869 -7.5279 -7.5279 -7.4139 -7.4139 -6.7934 -6.7934 -5.2140 -5.2140 -4.4804 -4.4804 -4.2340 -4.2340 -3.5082 -3.5082 -3.3590 -3.3590 -3.1462 -3.1462 -2.7595 -2.7595 -2.5080 -2.5080 -2.4436 -2.4436 -2.4322 -2.4322 -2.3831 -2.3831 -2.0525 -2.0525 -1.5112 -1.5112 -1.3440 -1.3440 -1.1512 -1.1512 -1.0837 -1.0837 -0.8168 -0.8168 1.4415 1.4415 1.5064 1.5064 1.5382 1.5382 1.6756 1.6756 1.6874 1.6874 1.7173 1.7173 4.5190 4.5190 5.1277 5.1277 5.1646 5.1646 5.1980 5.1980 5.4384 5.4384 5.5721 5.5721 5.5841 5.5841 5.7409 5.7409 6.4062 6.4062 7.2634 7.2634 k = 0.0000 0.4500-0.0000 ( 5690 PWs) bands (ev): -20.4627 -20.4627 -17.6984 -17.6984 -17.6096 -17.6096 -17.4870 -17.4870 -15.7132 -15.7132 -15.5891 -15.5891 -15.5868 -15.5868 -7.5279 -7.5279 -7.4149 -7.4149 -6.7794 -6.7794 -5.2126 -5.2126 -4.4801 -4.4801 -4.2270 -4.2270 -3.5308 -3.5308 -3.3659 -3.3659 -3.1462 -3.1462 -2.7626 -2.7626 -2.5076 -2.5076 -2.4442 -2.4442 -2.4321 -2.4321 -2.3826 -2.3826 -2.0561 -2.0561 -1.4981 -1.4981 -1.3249 -1.3249 -1.1713 -1.1713 -1.0950 -1.0950 -0.8182 -0.8182 1.4439 1.4439 1.5104 1.5104 1.5414 1.5414 1.6724 1.6724 1.6848 1.6848 1.7161 1.7161 4.5413 4.5413 5.1147 5.1147 5.1663 5.1663 5.2146 5.2146 5.4559 5.4559 5.5588 5.5588 5.5697 5.5697 5.7415 5.7415 6.4169 6.4169 7.2895 7.2895 k = 0.0000 0.4667-0.0000 ( 5710 PWs) bands (ev): -20.4626 -20.4626 -17.6961 -17.6961 -17.6119 -17.6119 -17.4864 -17.4864 -15.7150 -15.7150 -15.5891 -15.5891 -15.5868 -15.5868 -7.5279 -7.5279 -7.4156 -7.4156 -6.7692 -6.7692 -5.2115 -5.2115 -4.4798 -4.4798 -4.2218 -4.2218 -3.5476 -3.5476 -3.3708 -3.3708 -3.1463 -3.1463 -2.7649 -2.7649 -2.5074 -2.5074 -2.4446 -2.4446 -2.4321 -2.4321 -2.3822 -2.3822 -2.0588 -2.0588 -1.4881 -1.4881 -1.3077 -1.3077 -1.1893 -1.1893 -1.1037 -1.1037 -0.8191 -0.8191 1.4456 1.4456 1.5134 1.5134 1.5436 1.5436 1.6700 1.6700 1.6830 1.6830 1.7153 1.7153 4.5576 4.5576 5.1044 5.1044 5.1676 5.1676 5.2285 5.2285 5.4724 5.4724 5.5454 5.5454 5.5580 5.5580 5.7419 5.7419 6.4246 6.4246 7.3085 7.3085 k = 0.0000 0.4833-0.0000 ( 5702 PWs) bands (ev): -20.4625 -20.4625 -17.6946 -17.6946 -17.6133 -17.6133 -17.4860 -17.4860 -15.7160 -15.7160 -15.5891 -15.5891 -15.5868 -15.5868 -7.5280 -7.5280 -7.4161 -7.4161 -6.7630 -6.7630 -5.2109 -5.2109 -4.4797 -4.4797 -4.2186 -4.2186 -3.5579 -3.5579 -3.3735 -3.3735 -3.1463 -3.1463 -2.7662 -2.7662 -2.5072 -2.5072 -2.4449 -2.4449 -2.4320 -2.4320 -2.3820 -2.3820 -2.0603 -2.0603 -1.4818 -1.4818 -1.2943 -1.2943 -1.2033 -1.2033 -1.1091 -1.1091 -0.8197 -0.8197 1.4467 1.4467 1.5152 1.5152 1.5450 1.5450 1.6685 1.6685 1.6818 1.6818 1.7148 1.7148 4.5676 4.5676 5.0980 5.0980 5.1684 5.1684 5.2377 5.2377 5.4866 5.4866 5.5332 5.5332 5.5502 5.5502 5.7421 5.7421 6.4293 6.4293 7.3201 7.3201 k = 0.0000 0.5000-0.0000 ( 5702 PWs) bands (ev): -20.4625 -20.4625 -17.6941 -17.6941 -17.6138 -17.6138 -17.4859 -17.4859 -15.7164 -15.7164 -15.5891 -15.5891 -15.5868 -15.5868 -7.5280 -7.5280 -7.4163 -7.4163 -6.7609 -6.7609 -5.2107 -5.2107 -4.4796 -4.4796 -4.2175 -4.2175 -3.5614 -3.5614 -3.3745 -3.3745 -3.1463 -3.1463 -2.7666 -2.7666 -2.5072 -2.5072 -2.4450 -2.4450 -2.4320 -2.4320 -2.3819 -2.3819 -2.0609 -2.0609 -1.4796 -1.4796 -1.2889 -1.2889 -1.2089 -1.2089 -1.1109 -1.1109 -0.8199 -0.8199 1.4470 1.4470 1.5158 1.5158 1.5454 1.5454 1.6680 1.6680 1.6815 1.6815 1.7147 1.7147 4.5709 4.5709 5.0958 5.0958 5.1686 5.1686 5.2410 5.2410 5.4935 5.4935 5.5269 5.5269 5.5474 5.5474 5.7422 5.7422 6.4308 6.4308 7.3240 7.3240 k = 0.0000 0.5000-0.0000 ( 5702 PWs) bands (ev): -20.4625 -20.4625 -17.6941 -17.6941 -17.6138 -17.6138 -17.4859 -17.4859 -15.7164 -15.7164 -15.5891 -15.5891 -15.5868 -15.5868 -7.5280 -7.5280 -7.4163 -7.4163 -6.7609 -6.7609 -5.2107 -5.2107 -4.4796 -4.4796 -4.2175 -4.2175 -3.5614 -3.5614 -3.3745 -3.3745 -3.1463 -3.1463 -2.7666 -2.7666 -2.5072 -2.5072 -2.4450 -2.4450 -2.4320 -2.4320 -2.3819 -2.3819 -2.0609 -2.0609 -1.4796 -1.4796 -1.2889 -1.2889 -1.2089 -1.2089 -1.1109 -1.1109 -0.8199 -0.8199 1.4470 1.4470 1.5158 1.5158 1.5454 1.5454 1.6680 1.6680 1.6815 1.6815 1.7147 1.7147 4.5709 4.5709 5.0958 5.0958 5.1686 5.1686 5.2410 5.2410 5.4935 5.4935 5.5269 5.5269 5.5474 5.5474 5.7422 5.7422 6.4308 6.4308 7.3240 7.3240 k = 0.0167 0.5000-0.0000 ( 5702 PWs) bands (ev): -20.4625 -20.4625 -17.6939 -17.6939 -17.6138 -17.6138 -17.4859 -17.4859 -15.7164 -15.7164 -15.5891 -15.5891 -15.5872 -15.5872 -7.5263 -7.5263 -7.4166 -7.4166 -6.7609 -6.7609 -5.2105 -5.2105 -4.4793 -4.4793 -4.2180 -4.2180 -3.5616 -3.5616 -3.3745 -3.3745 -3.1467 -3.1467 -2.7666 -2.7666 -2.5073 -2.5073 -2.4517 -2.4517 -2.4287 -2.4287 -2.3820 -2.3820 -2.0599 -2.0599 -1.4856 -1.4856 -1.2886 -1.2886 -1.2024 -1.2024 -1.1097 -1.1097 -0.8207 -0.8207 1.4463 1.4463 1.5170 1.5170 1.5445 1.5445 1.6674 1.6674 1.6819 1.6819 1.7135 1.7135 4.5723 4.5723 5.0966 5.0966 5.1694 5.1694 5.2420 5.2420 5.4942 5.4942 5.5254 5.5254 5.5492 5.5492 5.7421 5.7421 6.4326 6.4326 7.3240 7.3240 k = 0.0333 0.5000-0.0000 ( 5702 PWs) bands (ev): -20.4625 -20.4625 -17.6932 -17.6932 -17.6139 -17.6139 -17.4861 -17.4861 -15.7165 -15.7165 -15.5891 -15.5891 -15.5884 -15.5884 -7.5214 -7.5214 -7.4176 -7.4176 -6.7606 -6.7606 -5.2097 -5.2097 -4.4781 -4.4781 -4.2194 -4.2194 -3.5623 -3.5623 -3.3747 -3.3747 -3.1480 -3.1480 -2.7664 -2.7664 -2.5076 -2.5076 -2.4653 -2.4653 -2.4252 -2.4252 -2.3822 -2.3822 -2.0569 -2.0569 -1.5019 -1.5019 -1.2877 -1.2877 -1.1853 -1.1853 -1.1055 -1.1055 -0.8230 -0.8230 1.4442 1.4442 1.5205 1.5205 1.5418 1.5418 1.6657 1.6657 1.6828 1.6828 1.7099 1.7099 4.5765 4.5765 5.0991 5.0991 5.1716 5.1716 5.2451 5.2451 5.4963 5.4963 5.5216 5.5216 5.5537 5.5537 5.7417 5.7417 6.4378 6.4378 7.3239 7.3239 k = 0.0500 0.5000-0.0000 ( 5698 PWs) bands (ev): -20.4624 -20.4624 -17.6920 -17.6920 -17.6140 -17.6140 -17.4864 -17.4864 -15.7166 -15.7166 -15.5903 -15.5903 -15.5891 -15.5891 -7.5132 -7.5132 -7.4192 -7.4192 -6.7602 -6.7602 -5.2084 -5.2084 -4.4763 -4.4763 -4.2219 -4.2219 -3.5635 -3.5635 -3.3749 -3.3749 -3.1501 -3.1501 -2.7660 -2.7660 -2.5083 -2.5083 -2.4824 -2.4824 -2.4248 -2.4248 -2.3825 -2.3825 -2.0520 -2.0520 -1.5248 -1.5248 -1.2862 -1.2862 -1.1637 -1.1637 -1.0957 -1.0957 -0.8269 -0.8269 1.4412 1.4412 1.5259 1.5259 1.5373 1.5373 1.6634 1.6634 1.6834 1.6834 1.7045 1.7045 4.5834 4.5834 5.1032 5.1032 5.1752 5.1752 5.2501 5.2501 5.5000 5.5000 5.5167 5.5167 5.5600 5.5600 5.7410 5.7410 6.4465 6.4465 7.3238 7.3238 k = 0.0667 0.5000-0.0000 ( 5698 PWs) bands (ev): -20.4623 -20.4623 -17.6904 -17.6904 -17.6141 -17.6141 -17.4867 -17.4867 -15.7168 -15.7168 -15.5929 -15.5929 -15.5891 -15.5891 -7.5019 -7.5019 -7.4214 -7.4214 -6.7596 -6.7596 -5.2067 -5.2067 -4.4737 -4.4737 -4.2254 -4.2254 -3.5651 -3.5651 -3.3753 -3.3753 -3.1530 -3.1530 -2.7656 -2.7656 -2.5098 -2.5098 -2.5018 -2.5018 -2.4276 -2.4276 -2.3831 -2.3831 -2.0453 -2.0453 -1.5511 -1.5511 -1.2841 -1.2841 -1.1455 -1.1455 -1.0760 -1.0760 -0.8324 -0.8324 1.4375 1.4375 1.5311 1.5311 1.5327 1.5327 1.6606 1.6606 1.6822 1.6822 1.6986 1.6986 4.5929 4.5929 5.1088 5.1088 5.1803 5.1803 5.2567 5.2567 5.5052 5.5052 5.5110 5.5110 5.5676 5.5676 5.7401 5.7401 6.4585 6.4585 7.3236 7.3236 k = 0.0833 0.5000-0.0000 ( 5688 PWs) bands (ev): -20.4621 -20.4621 -17.6883 -17.6883 -17.6142 -17.6142 -17.4872 -17.4872 -15.7171 -15.7171 -15.5963 -15.5963 -15.5890 -15.5890 -7.4874 -7.4874 -7.4242 -7.4242 -6.7588 -6.7588 -5.2046 -5.2046 -4.4704 -4.4704 -4.2299 -4.2299 -3.5671 -3.5671 -3.3758 -3.3758 -3.1567 -3.1567 -2.7650 -2.7650 -2.5262 -2.5262 -2.5090 -2.5090 -2.4336 -2.4336 -2.3840 -2.3840 -2.0367 -2.0367 -1.5785 -1.5785 -1.2813 -1.2813 -1.1342 -1.1342 -1.0451 -1.0451 -0.8394 -0.8394 1.4336 1.4336 1.5232 1.5232 1.5407 1.5407 1.6572 1.6572 1.6763 1.6763 1.6954 1.6954 4.6048 4.6048 5.1158 5.1158 5.1868 5.1868 5.2646 5.2646 5.5040 5.5040 5.5133 5.5133 5.5765 5.5765 5.7389 5.7389 6.4736 6.4736 7.3236 7.3236 k = 0.1000 0.5000-0.0000 ( 5688 PWs) bands (ev): -20.4619 -20.4619 -17.6858 -17.6858 -17.6144 -17.6144 -17.4878 -17.4878 -15.7173 -15.7173 -15.6003 -15.6003 -15.5890 -15.5890 -7.4699 -7.4699 -7.4275 -7.4275 -6.7579 -6.7579 -5.2023 -5.2023 -4.4664 -4.4664 -4.2355 -4.2355 -3.5696 -3.5696 -3.3764 -3.3764 -3.1613 -3.1613 -2.7643 -2.7643 -2.5510 -2.5510 -2.5104 -2.5104 -2.4429 -2.4429 -2.3851 -2.3851 -2.0265 -2.0265 -1.6057 -1.6057 -1.2780 -1.2780 -1.1274 -1.1274 -1.0069 -1.0069 -0.8478 -0.8478 1.4295 1.4295 1.5137 1.5137 1.5496 1.5496 1.6526 1.6526 1.6663 1.6663 1.6951 1.6951 4.6190 4.6190 5.1242 5.1242 5.1946 5.1946 5.2733 5.2733 5.4968 5.4968 5.5231 5.5231 5.5865 5.5865 5.7374 5.7374 6.4918 6.4918 7.3237 7.3237 k = 0.1167 0.5000-0.0000 ( 5690 PWs) bands (ev): -20.4617 -20.4617 -17.6829 -17.6829 -17.6146 -17.6146 -17.4885 -17.4885 -15.7177 -15.7177 -15.6050 -15.6050 -15.5889 -15.5889 -7.4498 -7.4498 -7.4310 -7.4310 -6.7568 -6.7568 -5.1996 -5.1996 -4.4617 -4.4617 -4.2421 -4.2421 -3.5724 -3.5724 -3.3772 -3.3772 -3.1666 -3.1666 -2.7635 -2.7635 -2.5780 -2.5780 -2.5117 -2.5117 -2.4551 -2.4551 -2.3864 -2.3864 -2.0147 -2.0147 -1.6318 -1.6318 -1.2741 -1.2741 -1.1225 -1.1225 -0.9650 -0.9650 -0.8578 -0.8578 1.4254 1.4254 1.5028 1.5028 1.5592 1.5592 1.6433 1.6433 1.6579 1.6579 1.6958 1.6958 4.6351 4.6351 5.1338 5.1338 5.2036 5.2036 5.2823 5.2823 5.4888 5.4888 5.5358 5.5358 5.5976 5.5976 5.7357 5.7357 6.5128 6.5128 7.3240 7.3240 k = 0.1333 0.5000-0.0000 ( 5696 PWs) bands (ev): -20.4615 -20.4615 -17.6796 -17.6796 -17.6148 -17.6148 -17.4894 -17.4894 -15.7180 -15.7180 -15.6103 -15.6103 -15.5889 -15.5889 -7.4375 -7.4375 -7.4241 -7.4241 -6.7556 -6.7556 -5.1969 -5.1969 -4.4564 -4.4564 -4.2499 -4.2499 -3.5756 -3.5756 -3.3781 -3.3781 -3.1728 -3.1728 -2.7627 -2.7627 -2.6067 -2.6067 -2.5135 -2.5135 -2.4698 -2.4698 -2.3878 -2.3878 -2.0015 -2.0015 -1.6564 -1.6564 -1.2697 -1.2697 -1.1183 -1.1183 -0.9214 -0.9214 -0.8691 -0.8691 1.4214 1.4214 1.4906 1.4906 1.5691 1.5691 1.6282 1.6282 1.6534 1.6534 1.6968 1.6968 4.6530 4.6530 5.1445 5.1445 5.2139 5.2139 5.2912 5.2912 5.4801 5.4801 5.5518 5.5518 5.6098 5.6098 5.7336 5.7336 6.5363 6.5363 7.3248 7.3248 k = 0.1500 0.5000-0.0000 ( 5696 PWs) bands (ev): -20.4612 -20.4612 -17.6758 -17.6758 -17.6150 -17.6150 -17.4904 -17.4904 -15.7185 -15.7185 -15.6160 -15.6160 -15.5888 -15.5888 -7.4414 -7.4414 -7.3989 -7.3989 -6.7543 -6.7543 -5.1941 -5.1941 -4.4505 -4.4505 -4.2587 -4.2587 -3.5791 -3.5791 -3.3791 -3.3791 -3.1797 -3.1797 -2.7617 -2.7617 -2.6368 -2.6368 -2.5162 -2.5162 -2.4860 -2.4860 -2.3893 -2.3893 -1.9868 -1.9868 -1.6792 -1.6792 -1.2647 -1.2647 -1.1145 -1.1145 -0.8825 -0.8825 -0.8762 -0.8762 1.4176 1.4176 1.4771 1.4771 1.5786 1.5786 1.6108 1.6108 1.6503 1.6503 1.6977 1.6977 4.6723 4.6723 5.1561 5.1561 5.2252 5.2252 5.2996 5.2996 5.4708 5.4708 5.5712 5.5712 5.6230 5.6230 5.7312 5.7312 6.5618 6.5618 7.3262 7.3262 k = 0.1667 0.5000-0.0000 ( 5694 PWs) bands (ev): -20.4610 -20.4610 -17.6717 -17.6717 -17.6153 -17.6153 -17.4915 -17.4915 -15.7189 -15.7189 -15.6223 -15.6223 -15.5887 -15.5887 -7.4463 -7.4463 -7.3704 -7.3704 -6.7529 -6.7529 -5.1915 -5.1915 -4.4441 -4.4441 -4.2686 -4.2686 -3.5828 -3.5828 -3.3803 -3.3803 -3.1872 -3.1872 -2.7606 -2.7606 -2.6680 -2.6680 -2.5226 -2.5226 -2.5006 -2.5006 -2.3909 -2.3909 -1.9710 -1.9710 -1.6999 -1.6999 -1.2593 -1.2593 -1.1109 -1.1109 -0.8960 -0.8960 -0.8321 -0.8321 1.4140 1.4140 1.4626 1.4626 1.5810 1.5810 1.5990 1.5990 1.6478 1.6478 1.6984 1.6984 4.6929 4.6929 5.1684 5.1684 5.2376 5.2376 5.3070 5.3070 5.4610 5.4610 5.5942 5.5942 5.6370 5.6370 5.7286 5.7286 6.5888 6.5888 7.3285 7.3285 k = 0.1833 0.5000-0.0000 ( 5706 PWs) bands (ev): -20.4607 -20.4607 -17.6673 -17.6673 -17.6156 -17.6156 -17.4928 -17.4928 -15.7194 -15.7194 -15.6289 -15.6289 -15.5887 -15.5887 -7.4517 -7.4517 -7.3394 -7.3394 -6.7514 -6.7514 -5.1890 -5.1890 -4.4373 -4.4373 -4.2795 -4.2795 -3.5868 -3.5868 -3.3816 -3.3816 -3.1954 -3.1954 -2.7597 -2.7597 -2.7001 -2.7001 -2.5374 -2.5374 -2.5083 -2.5083 -2.3925 -2.3925 -1.9540 -1.9540 -1.7186 -1.7186 -1.2533 -1.2533 -1.1074 -1.1074 -0.9113 -0.9113 -0.7878 -0.7878 1.4105 1.4105 1.4471 1.4471 1.5639 1.5639 1.6055 1.6055 1.6458 1.6458 1.6989 1.6989 4.7145 4.7145 5.1812 5.1812 5.2509 5.2509 5.3134 5.3134 5.4507 5.4507 5.6208 5.6208 5.6517 5.6517 5.7256 5.7256 6.6168 6.6168 7.3319 7.3319 k = 0.2000 0.5000-0.0000 ( 5702 PWs) bands (ev): -20.4604 -20.4604 -17.6625 -17.6625 -17.6159 -17.6159 -17.4942 -17.4942 -15.7198 -15.7198 -15.6358 -15.6358 -15.5886 -15.5886 -7.4573 -7.4573 -7.3062 -7.3062 -6.7498 -6.7498 -5.1869 -5.1869 -4.4302 -4.4302 -4.2914 -4.2914 -3.5910 -3.5910 -3.3831 -3.3831 -3.2041 -3.2041 -2.7590 -2.7590 -2.7324 -2.7324 -2.5578 -2.5578 -2.5113 -2.5113 -2.3942 -2.3942 -1.9360 -1.9360 -1.7353 -1.7353 -1.2469 -1.2469 -1.1040 -1.1040 -0.9279 -0.9279 -0.7442 -0.7442 1.4072 1.4072 1.4310 1.4310 1.5420 1.5420 1.6159 1.6159 1.6442 1.6442 1.6993 1.6993 4.7367 4.7367 5.1945 5.1945 5.2650 5.2650 5.3187 5.3187 5.4400 5.4400 5.6510 5.6510 5.6670 5.6670 5.7224 5.7224 6.6450 6.6450 7.3369 7.3369 k = 0.2167 0.5000-0.0000 ( 5704 PWs) bands (ev): -20.4601 -20.4601 -17.6575 -17.6575 -17.6162 -17.6162 -17.4958 -17.4958 -15.7203 -15.7203 -15.6430 -15.6430 -15.5885 -15.5885 -7.4630 -7.4630 -7.2710 -7.2710 -6.7482 -6.7482 -5.1851 -5.1851 -4.4232 -4.4232 -4.3040 -4.3040 -3.5954 -3.5954 -3.3848 -3.3848 -3.2132 -3.2132 -2.7684 -2.7684 -2.7549 -2.7549 -2.5800 -2.5800 -2.5129 -2.5129 -2.3959 -2.3959 -1.9171 -1.9171 -1.7501 -1.7501 -1.2401 -1.2401 -1.1007 -1.1007 -0.9455 -0.9455 -0.7016 -0.7016 1.4037 1.4037 1.4145 1.4145 1.5189 1.5189 1.6264 1.6264 1.6434 1.6434 1.6994 1.6994 4.7593 4.7593 5.2080 5.2080 5.2798 5.2798 5.3229 5.3229 5.4290 5.4290 5.6825 5.6825 5.6842 5.6842 5.7191 5.7191 6.6725 6.6725 7.3439 7.3439 k = 0.2333 0.5000-0.0000 ( 5696 PWs) bands (ev): -20.4597 -20.4597 -17.6521 -17.6521 -17.6165 -17.6165 -17.4976 -17.4976 -15.7209 -15.7209 -15.6504 -15.6504 -15.5884 -15.5884 -7.4689 -7.4689 -7.2342 -7.2342 -6.7465 -6.7465 -5.1839 -5.1839 -4.4167 -4.4167 -4.3168 -4.3168 -3.5998 -3.5998 -3.3866 -3.3866 -3.2226 -3.2226 -2.8003 -2.8003 -2.7550 -2.7550 -2.6026 -2.6026 -2.5139 -2.5139 -2.3976 -2.3976 -1.8975 -1.8975 -1.7630 -1.7630 -1.2330 -1.2330 -1.0976 -1.0976 -0.9643 -0.9643 -0.6603 -0.6603 1.3952 1.3952 1.4029 1.4029 1.4954 1.4954 1.6346 1.6346 1.6454 1.6454 1.6993 1.6993 4.7820 4.7820 5.2215 5.2215 5.2951 5.2951 5.3264 5.3264 5.4179 5.4179 5.6975 5.6975 5.7131 5.7131 5.7238 5.7238 6.6984 6.6984 7.3533 7.3533 k = 0.2500 0.5000-0.0000 ( 5716 PWs) bands (ev): -20.4594 -20.4594 -17.6466 -17.6466 -17.6168 -17.6168 -17.4995 -17.4995 -15.7214 -15.7214 -15.6578 -15.6578 -15.5884 -15.5884 -7.4747 -7.4747 -7.1960 -7.1960 -6.7448 -6.7448 -5.1834 -5.1834 -4.4115 -4.4115 -4.3292 -4.3292 -3.6044 -3.6044 -3.3888 -3.3888 -3.2322 -3.2322 -2.8333 -2.8333 -2.7540 -2.7540 -2.6250 -2.6250 -2.5147 -2.5147 -2.3993 -2.3993 -1.8775 -1.8775 -1.7739 -1.7739 -1.2255 -1.2255 -1.0948 -1.0948 -0.9839 -0.9839 -0.6204 -0.6204 1.3783 1.3783 1.3993 1.3993 1.4718 1.4718 1.6370 1.6370 1.6532 1.6532 1.6990 1.6990 4.8046 4.8046 5.2349 5.2349 5.3105 5.3105 5.3293 5.3293 5.4069 5.4069 5.7055 5.7055 5.7186 5.7186 5.7612 5.7612 6.7217 6.7217 7.3656 7.3656 k = 0.2667 0.5000-0.0000 ( 5696 PWs) bands (ev): -20.4591 -20.4591 -17.6408 -17.6408 -17.6171 -17.6171 -17.5017 -17.5017 -15.7219 -15.7219 -15.6653 -15.6653 -15.5883 -15.5883 -7.4805 -7.4805 -7.1567 -7.1567 -6.7431 -6.7431 -5.1835 -5.1835 -4.4092 -4.4092 -4.3394 -4.3394 -3.6089 -3.6089 -3.3910 -3.3910 -3.2416 -3.2416 -2.8660 -2.8660 -2.7528 -2.7528 -2.6465 -2.6465 -2.5152 -2.5152 -2.4010 -2.4010 -1.8576 -1.8576 -1.7826 -1.7826 -1.2177 -1.2177 -1.0922 -1.0922 -1.0044 -1.0044 -0.5823 -0.5823 1.3606 1.3606 1.3965 1.3965 1.4487 1.4487 1.6371 1.6371 1.6634 1.6634 1.6987 1.6987 4.8269 4.8269 5.2480 5.2480 5.3240 5.3240 5.3340 5.3340 5.3959 5.3959 5.7025 5.7025 5.7330 5.7330 5.8028 5.8028 6.7415 6.7415 7.3812 7.3812 k = 0.2833 0.5000-0.0000 ( 5700 PWs) bands (ev): -20.4588 -20.4588 -17.6348 -17.6348 -17.6174 -17.6174 -17.5040 -17.5040 -15.7224 -15.7224 -15.6726 -15.6726 -15.5882 -15.5882 -7.4862 -7.4862 -7.1166 -7.1166 -6.7414 -6.7414 -5.1844 -5.1844 -4.4120 -4.4120 -4.3453 -4.3453 -3.6134 -3.6134 -3.3936 -3.3936 -3.2509 -3.2509 -2.8981 -2.8981 -2.7516 -2.7516 -2.6670 -2.6670 -2.5156 -2.5156 -2.4027 -2.4027 -1.8393 -1.8393 -1.7879 -1.7879 -1.2097 -1.2097 -1.0900 -1.0900 -1.0256 -1.0256 -0.5461 -0.5461 1.3429 1.3429 1.3936 1.3936 1.4266 1.4266 1.6370 1.6370 1.6734 1.6734 1.6986 1.6986 4.8485 4.8485 5.2606 5.2606 5.3291 5.3291 5.3467 5.3467 5.3853 5.3853 5.6974 5.6974 5.7485 5.7485 5.8467 5.8467 6.7569 6.7569 7.4002 7.4002 k = 0.3000 0.5000-0.0000 ( 5698 PWs) bands (ev): -20.4585 -20.4585 -17.6287 -17.6287 -17.6177 -17.6177 -17.5066 -17.5066 -15.7229 -15.7229 -15.6799 -15.6799 -15.5881 -15.5881 -7.4918 -7.4918 -7.0763 -7.0763 -6.7397 -6.7397 -5.1862 -5.1862 -4.4209 -4.4209 -4.3457 -4.3457 -3.6178 -3.6178 -3.3963 -3.3963 -3.2599 -3.2599 -2.9291 -2.9291 -2.7504 -2.7504 -2.6862 -2.6862 -2.5159 -2.5159 -2.4043 -2.4043 -1.8265 -1.8265 -1.7860 -1.7860 -1.2016 -1.2016 -1.0883 -1.0883 -1.0473 -1.0473 -0.5119 -0.5119 1.3253 1.3253 1.3890 1.3890 1.4071 1.4071 1.6370 1.6370 1.6822 1.6822 1.6993 1.6993 4.8694 4.8694 5.2726 5.2726 5.3305 5.3305 5.3628 5.3628 5.3753 5.3753 5.6917 5.6917 5.7638 5.7638 5.8925 5.8925 6.7673 6.7673 7.4227 7.4227 k = 0.3167 0.5000-0.0000 ( 5690 PWs) bands (ev): -20.4581 -20.4581 -17.6225 -17.6225 -17.6180 -17.6180 -17.5094 -17.5094 -15.7234 -15.7234 -15.6868 -15.6868 -15.5880 -15.5880 -7.4971 -7.4971 -7.0360 -7.0360 -6.7381 -6.7381 -5.1888 -5.1888 -4.4344 -4.4344 -4.3420 -4.3420 -3.6222 -3.6222 -3.3992 -3.3992 -3.2682 -3.2682 -2.9588 -2.9588 -2.7493 -2.7493 -2.7037 -2.7037 -2.5160 -2.5160 -2.4058 -2.4058 -1.8233 -1.8233 -1.7732 -1.7732 -1.1933 -1.1933 -1.0876 -1.0876 -1.0689 -1.0689 -0.4799 -0.4799 1.3081 1.3081 1.3773 1.3773 1.3960 1.3960 1.6372 1.6372 1.6877 1.6877 1.7027 1.7027 4.8893 4.8893 5.2836 5.2836 5.3310 5.3310 5.3657 5.3657 5.3798 5.3798 5.6854 5.6854 5.7787 5.7787 5.9398 5.9398 6.7724 6.7724 7.4481 7.4481 k = 0.3333 0.5000-0.0000 ( 5686 PWs) bands (ev): -20.4579 -20.4579 -17.6182 -17.6182 -17.6162 -17.6162 -17.5124 -17.5124 -15.7238 -15.7238 -15.6935 -15.6935 -15.5880 -15.5880 -7.5021 -7.5021 -6.9963 -6.9963 -6.7366 -6.7366 -5.1923 -5.1923 -4.4504 -4.4504 -4.3362 -4.3362 -3.6263 -3.6263 -3.4023 -3.4023 -3.2759 -3.2759 -2.9870 -2.9870 -2.7483 -2.7483 -2.7197 -2.7197 -2.5160 -2.5160 -2.4072 -2.4072 -1.8255 -1.8255 -1.7539 -1.7539 -1.1851 -1.1851 -1.0951 -1.0951 -1.0830 -1.0830 -0.4504 -0.4504 1.2914 1.2914 1.3599 1.3599 1.3922 1.3922 1.6375 1.6375 1.6890 1.6890 1.7096 1.7096 4.9079 4.9079 5.2933 5.2933 5.3312 5.3312 5.3575 5.3575 5.3966 5.3966 5.6785 5.6785 5.7930 5.7930 5.9883 5.9883 6.7720 6.7720 7.4760 7.4760 k = 0.3500 0.5000-0.0000 ( 5686 PWs) bands (ev): -20.4576 -20.4576 -17.6185 -17.6185 -17.6099 -17.6099 -17.5156 -17.5156 -15.7243 -15.7243 -15.6998 -15.6998 -15.5879 -15.5879 -7.5068 -7.5068 -6.9577 -6.9577 -6.7352 -6.7352 -5.1965 -5.1965 -4.4674 -4.4674 -4.3294 -4.3294 -3.6302 -3.6302 -3.4056 -3.4056 -3.2829 -3.2829 -3.0133 -3.0133 -2.7475 -2.7475 -2.7339 -2.7339 -2.5160 -2.5160 -2.4086 -2.4086 -1.8291 -1.8291 -1.7323 -1.7323 -1.1770 -1.1770 -1.1162 -1.1162 -1.0841 -1.0841 -0.4233 -0.4233 1.2754 1.2754 1.3424 1.3424 1.3901 1.3901 1.6381 1.6381 1.6885 1.6885 1.7176 1.7176 4.9253 4.9253 5.3012 5.3012 5.3312 5.3312 5.3508 5.3508 5.4133 5.4133 5.6713 5.6713 5.8064 5.8064 6.0377 6.0377 6.7663 6.7663 7.5053 7.5053 k = 0.3667 0.5000-0.0000 ( 5694 PWs) bands (ev): -20.4573 -20.4573 -17.6187 -17.6187 -17.6035 -17.6035 -17.5190 -17.5190 -15.7247 -15.7247 -15.7056 -15.7056 -15.5878 -15.5878 -7.5112 -7.5112 -6.9207 -6.9207 -6.7339 -6.7339 -5.2014 -5.2014 -4.4844 -4.4844 -4.3224 -4.3224 -3.6339 -3.6339 -3.4089 -3.4089 -3.2890 -3.2890 -3.0375 -3.0375 -2.7495 -2.7495 -2.7438 -2.7438 -2.5159 -2.5159 -2.4099 -2.4099 -1.8327 -1.8327 -1.7102 -1.7102 -1.1695 -1.1695 -1.1379 -1.1379 -1.0845 -1.0845 -0.3988 -0.3988 1.2604 1.2604 1.3261 1.3261 1.3885 1.3885 1.6389 1.6389 1.6873 1.6873 1.7255 1.7255 4.9412 4.9412 5.3061 5.3061 5.3314 5.3314 5.3465 5.3465 5.4298 5.4298 5.6635 5.6635 5.8187 5.8187 6.0875 6.0875 6.7556 6.7556 7.5352 7.5352 k = 0.3833 0.5000-0.0000 ( 5700 PWs) bands (ev): -20.4571 -20.4571 -17.6190 -17.6190 -17.5971 -17.5971 -17.5227 -17.5227 -15.7251 -15.7251 -15.7109 -15.7109 -15.5878 -15.5878 -7.5151 -7.5151 -6.8859 -6.8859 -6.7328 -6.7328 -5.2068 -5.2068 -4.5009 -4.5009 -4.3156 -4.3156 -3.6372 -3.6372 -3.4122 -3.4122 -3.2941 -3.2941 -3.0594 -3.0594 -2.7591 -2.7591 -2.7446 -2.7446 -2.5158 -2.5158 -2.4110 -2.4110 -1.8361 -1.8361 -1.6882 -1.6882 -1.1679 -1.1679 -1.1536 -1.1536 -1.0853 -1.0853 -0.3769 -0.3769 1.2465 1.2465 1.3115 1.3115 1.3872 1.3872 1.6398 1.6398 1.6858 1.6858 1.7328 1.7328 4.9555 4.9555 5.3074 5.3074 5.3316 5.3316 5.3455 5.3455 5.4459 5.4459 5.6553 5.6553 5.8300 5.8300 6.1373 6.1373 6.7404 6.7404 7.5646 7.5646 k = 0.4000 0.5000-0.0000 ( 5716 PWs) bands (ev): -20.4569 -20.4569 -17.6192 -17.6192 -17.5908 -17.5908 -17.5267 -17.5267 -15.7254 -15.7254 -15.7157 -15.7157 -15.5877 -15.5877 -7.5186 -7.5186 -6.8539 -6.8539 -6.7319 -6.7319 -5.2125 -5.2125 -4.5161 -4.5161 -4.3093 -4.3093 -3.6402 -3.6402 -3.4153 -3.4153 -3.2985 -3.2985 -3.0788 -3.0788 -2.7685 -2.7685 -2.7441 -2.7441 -2.5158 -2.5158 -2.4120 -2.4120 -1.8390 -1.8390 -1.6668 -1.6668 -1.1848 -1.1848 -1.1502 -1.1502 -1.0866 -1.0866 -0.3579 -0.3579 1.2340 1.2340 1.2987 1.2987 1.3861 1.3861 1.6409 1.6409 1.6842 1.6842 1.7394 1.7394 4.9680 4.9680 5.3057 5.3057 5.3316 5.3316 5.3475 5.3475 5.4615 5.4615 5.6469 5.6469 5.8400 5.8400 6.1866 6.1866 6.7210 6.7210 7.5925 7.5925 k = 0.4167 0.5000-0.0000 ( 5708 PWs) bands (ev): -20.4567 -20.4567 -17.6193 -17.6193 -17.5846 -17.5846 -17.5309 -17.5309 -15.7257 -15.7257 -15.7197 -15.7197 -15.5877 -15.5877 -7.5216 -7.5216 -6.8253 -6.8253 -6.7312 -6.7312 -5.2182 -5.2182 -4.5297 -4.5297 -4.3037 -4.3037 -3.6428 -3.6428 -3.4181 -3.4181 -3.3019 -3.3019 -3.0956 -3.0956 -2.7765 -2.7765 -2.7435 -2.7435 -2.5156 -2.5156 -2.4129 -2.4129 -1.8415 -1.8415 -1.6467 -1.6467 -1.2044 -1.2044 -1.1433 -1.1433 -1.0886 -1.0886 -0.3416 -0.3416 1.2230 1.2230 1.2877 1.2877 1.3852 1.3852 1.6420 1.6420 1.6826 1.6826 1.7451 1.7451 4.9788 4.9788 5.3026 5.3026 5.3314 5.3314 5.3510 5.3510 5.4763 5.4763 5.6382 5.6382 5.8486 5.8486 6.2349 6.2349 6.6982 6.6982 7.6179 7.6179 k = 0.4333 0.5000-0.0000 ( 5720 PWs) bands (ev): -20.4566 -20.4566 -17.6195 -17.6195 -17.5784 -17.5784 -17.5353 -17.5353 -15.7259 -15.7259 -15.7232 -15.7232 -15.5876 -15.5876 -7.5241 -7.5241 -6.8007 -6.8007 -6.7307 -6.7307 -5.2235 -5.2235 -4.5414 -4.5414 -4.2989 -4.2989 -3.6450 -3.6450 -3.4207 -3.4207 -3.3045 -3.3045 -3.1095 -3.1095 -2.7830 -2.7830 -2.7431 -2.7431 -2.5155 -2.5155 -2.4136 -2.4136 -1.8435 -1.8435 -1.6283 -1.6283 -1.2226 -1.2226 -1.1362 -1.1362 -1.0910 -1.0910 -0.3283 -0.3283 1.2138 1.2138 1.2786 1.2786 1.3845 1.3845 1.6430 1.6430 1.6811 1.6811 1.7499 1.7499 4.9878 4.9878 5.2993 5.2993 5.3310 5.3310 5.3548 5.3548 5.4900 5.4900 5.6296 5.6296 5.8558 5.8558 6.2813 6.2813 6.6728 6.6728 7.6399 7.6399 k = 0.4500 0.5000-0.0000 ( 5708 PWs) bands (ev): -20.4565 -20.4565 -17.6196 -17.6196 -17.5724 -17.5724 -17.5400 -17.5400 -15.7261 -15.7261 -15.7259 -15.7259 -15.5876 -15.5876 -7.5260 -7.5260 -6.7806 -6.7806 -6.7307 -6.7307 -5.2281 -5.2281 -4.5508 -4.5508 -4.2951 -4.2951 -3.6468 -3.6468 -3.4227 -3.4227 -3.3064 -3.3064 -3.1205 -3.1205 -2.7879 -2.7879 -2.7426 -2.7426 -2.5153 -2.5153 -2.4142 -2.4142 -1.8450 -1.8450 -1.6126 -1.6126 -1.2383 -1.2383 -1.1296 -1.1296 -1.0940 -1.0940 -0.3178 -0.3178 1.2064 1.2064 1.2715 1.2715 1.3840 1.3840 1.6440 1.6440 1.6797 1.6797 1.7536 1.7536 4.9948 4.9948 5.2963 5.2963 5.3307 5.3307 5.3581 5.3581 5.5023 5.5023 5.6213 5.6213 5.8616 5.8616 6.3244 6.3244 6.6460 6.6460 7.6578 7.6578 k = 0.4667 0.5000-0.0000 ( 5702 PWs) bands (ev): -20.4564 -20.4564 -17.6197 -17.6197 -17.5665 -17.5665 -17.5448 -17.5448 -15.7278 -15.7278 -15.7262 -15.7262 -15.5876 -15.5876 -7.5274 -7.5274 -6.7653 -6.7653 -6.7311 -6.7311 -5.2317 -5.2317 -4.5576 -4.5576 -4.2923 -4.2923 -3.6480 -3.6480 -3.4242 -3.4242 -3.3077 -3.3077 -3.1285 -3.1285 -2.7915 -2.7915 -2.7423 -2.7423 -2.5152 -2.5152 -2.4146 -2.4146 -1.8461 -1.8461 -1.6004 -1.6004 -1.2504 -1.2504 -1.1236 -1.1236 -1.0973 -1.0973 -0.3103 -0.3103 1.2011 1.2011 1.2665 1.2665 1.3836 1.3836 1.6448 1.6448 1.6787 1.6787 1.7564 1.7564 4.9998 4.9998 5.2941 5.2941 5.3305 5.3305 5.3606 5.3606 5.5124 5.5124 5.6142 5.6142 5.8657 5.8657 6.3619 6.3619 6.6202 6.6202 7.6711 7.6711 k = 0.4833 0.5000-0.0000 ( 5710 PWs) bands (ev): -20.4563 -20.4563 -17.6197 -17.6197 -17.5608 -17.5608 -17.5500 -17.5500 -15.7290 -15.7290 -15.7263 -15.7263 -15.5876 -15.5876 -7.5283 -7.5283 -6.7555 -6.7555 -6.7319 -6.7319 -5.2340 -5.2340 -4.5618 -4.5618 -4.2906 -4.2906 -3.6488 -3.6488 -3.4252 -3.4252 -3.3085 -3.3085 -3.1333 -3.1333 -2.7936 -2.7936 -2.7421 -2.7421 -2.5152 -2.5152 -2.4148 -2.4148 -1.8468 -1.8468 -1.5926 -1.5926 -1.2583 -1.2583 -1.1188 -1.1188 -1.1004 -1.1004 -0.3058 -0.3058 1.1979 1.1979 1.2634 1.2634 1.3834 1.3834 1.6453 1.6453 1.6780 1.6780 1.7580 1.7580 5.0028 5.0028 5.2927 5.2927 5.3304 5.3304 5.3621 5.3621 5.5192 5.5192 5.6090 5.6090 5.8681 5.8681 6.3895 6.3895 6.5997 6.5997 7.6792 7.6792 k = 0.5000 0.5000-0.0000 ( 5712 PWs) bands (ev): -20.4563 -20.4563 -17.6197 -17.6197 -17.5556 -17.5556 -17.5550 -17.5550 -15.7294 -15.7294 -15.7263 -15.7263 -15.5876 -15.5876 -7.5286 -7.5286 -6.7519 -6.7519 -6.7324 -6.7324 -5.2347 -5.2347 -4.5632 -4.5632 -4.2900 -4.2900 -3.6490 -3.6490 -3.4255 -3.4255 -3.3088 -3.3088 -3.1349 -3.1349 -2.7943 -2.7943 -2.7421 -2.7421 -2.5151 -2.5151 -2.4149 -2.4149 -1.8470 -1.8470 -1.5899 -1.5899 -1.2610 -1.2610 -1.1168 -1.1168 -1.1019 -1.1019 -0.3043 -0.3043 1.1968 1.1968 1.2624 1.2624 1.3833 1.3833 1.6455 1.6455 1.6778 1.6778 1.7586 1.7586 5.0038 5.0038 5.2922 5.2922 5.3303 5.3303 5.3626 5.3626 5.5217 5.5217 5.6071 5.6071 5.8690 5.8690 6.4001 6.4001 6.5914 6.5914 7.6819 7.6819 k = 0.5000 0.5000-0.0000 ( 5712 PWs) bands (ev): -20.4563 -20.4563 -17.6197 -17.6197 -17.5556 -17.5556 -17.5550 -17.5550 -15.7294 -15.7294 -15.7263 -15.7263 -15.5876 -15.5876 -7.5286 -7.5286 -6.7519 -6.7519 -6.7324 -6.7324 -5.2347 -5.2347 -4.5632 -4.5632 -4.2900 -4.2900 -3.6490 -3.6490 -3.4255 -3.4255 -3.3088 -3.3088 -3.1349 -3.1349 -2.7943 -2.7943 -2.7421 -2.7421 -2.5151 -2.5151 -2.4149 -2.4149 -1.8470 -1.8470 -1.5899 -1.5899 -1.2610 -1.2610 -1.1168 -1.1168 -1.1019 -1.1019 -0.3043 -0.3043 1.1968 1.1968 1.2624 1.2624 1.3833 1.3833 1.6455 1.6455 1.6778 1.6778 1.7586 1.7586 5.0038 5.0038 5.2922 5.2922 5.3303 5.3303 5.3626 5.3626 5.5217 5.5217 5.6071 5.6071 5.8690 5.8690 6.4001 6.4001 6.5914 6.5914 7.6819 7.6819 k = 0.4881 0.4881-0.0000 ( 5710 PWs) bands (ev): -20.4563 -20.4563 -17.6199 -17.6199 -17.5592 -17.5592 -17.5514 -17.5514 -15.7293 -15.7293 -15.7259 -15.7259 -15.5876 -15.5876 -7.5284 -7.5284 -6.7538 -6.7538 -6.7333 -6.7333 -5.2343 -5.2343 -4.5624 -4.5624 -4.2902 -4.2902 -3.6471 -3.6471 -3.4251 -3.4251 -3.3085 -3.3085 -3.1345 -3.1345 -2.7939 -2.7939 -2.7419 -2.7419 -2.5151 -2.5151 -2.4149 -2.4149 -1.8470 -1.8470 -1.5911 -1.5911 -1.2594 -1.2594 -1.1181 -1.1181 -1.1014 -1.1014 -0.3056 -0.3056 1.1978 1.1978 1.2635 1.2635 1.3834 1.3834 1.6453 1.6453 1.6779 1.6779 1.7583 1.7583 5.0030 5.0030 5.2923 5.2923 5.3297 5.3297 5.3626 5.3626 5.5204 5.5204 5.6080 5.6080 5.8681 5.8681 6.3947 6.3947 6.5941 6.5941 7.6798 7.6798 k = 0.4762 0.4762-0.0000 ( 5704 PWs) bands (ev): -20.4564 -20.4564 -17.6206 -17.6206 -17.5629 -17.5629 -17.5476 -17.5476 -15.7291 -15.7291 -15.7249 -15.7249 -15.5876 -15.5876 -7.5280 -7.5280 -6.7593 -6.7593 -6.7361 -6.7361 -5.2331 -5.2331 -4.5601 -4.5601 -4.2909 -4.2909 -3.6411 -3.6411 -3.4239 -3.4239 -3.3076 -3.3076 -3.1335 -3.1335 -2.7927 -2.7927 -2.7415 -2.7415 -2.5152 -2.5152 -2.4149 -2.4149 -1.8471 -1.8471 -1.5947 -1.5947 -1.2549 -1.2549 -1.1213 -1.1213 -1.1003 -1.1003 -0.3096 -0.3096 1.2008 1.2008 1.2669 1.2669 1.3837 1.3837 1.6445 1.6445 1.6783 1.6783 1.7574 1.7574 5.0003 5.0003 5.2926 5.2926 5.3277 5.3277 5.3623 5.3623 5.5166 5.5166 5.6104 5.6104 5.8654 5.8654 6.3796 6.3796 6.6011 6.6011 7.6732 7.6732 k = 0.4643 0.4643-0.0000 ( 5708 PWs) bands (ev): -20.4565 -20.4565 -17.6217 -17.6217 -17.5664 -17.5664 -17.5439 -17.5439 -15.7286 -15.7286 -15.7233 -15.7233 -15.5876 -15.5876 -7.5273 -7.5273 -6.7681 -6.7681 -6.7410 -6.7410 -5.2312 -5.2312 -4.5563 -4.5563 -4.2921 -4.2921 -3.6313 -3.6313 -3.4221 -3.4221 -3.3061 -3.3061 -3.1318 -3.1318 -2.7906 -2.7906 -2.7408 -2.7408 -2.5152 -2.5152 -2.4149 -2.4149 -1.8473 -1.8473 -1.6004 -1.6004 -1.2475 -1.2475 -1.1258 -1.1258 -1.0995 -1.0995 -0.3160 -0.3160 1.2057 1.2057 1.2724 1.2724 1.3842 1.3842 1.6434 1.6434 1.6787 1.6787 1.7561 1.7561 4.9959 4.9959 5.2931 5.2931 5.3246 5.3246 5.3619 5.3619 5.5106 5.5106 5.6141 5.6141 5.8608 5.8608 6.3572 6.3572 6.6102 6.6102 7.6624 7.6624 k = 0.4524 0.4524-0.0000 ( 5706 PWs) bands (ev): -20.4566 -20.4566 -17.6234 -17.6234 -17.5696 -17.5696 -17.5403 -17.5403 -15.7277 -15.7277 -15.7212 -15.7212 -15.5876 -15.5876 -7.5263 -7.5263 -6.7799 -6.7799 -6.7481 -6.7481 -5.2287 -5.2287 -4.5511 -4.5511 -4.2936 -4.2936 -3.6178 -3.6178 -3.4195 -3.4195 -3.3042 -3.3042 -3.1292 -3.1292 -2.7878 -2.7878 -2.7398 -2.7398 -2.5153 -2.5153 -2.4149 -2.4149 -1.8475 -1.8475 -1.6080 -1.6080 -1.2377 -1.2377 -1.1308 -1.1308 -1.0995 -1.0995 -0.3249 -0.3249 1.2125 1.2125 1.2801 1.2801 1.3849 1.3849 1.6419 1.6419 1.6792 1.6792 1.7543 1.7543 4.9895 4.9895 5.2934 5.2934 5.3207 5.3207 5.3614 5.3614 5.5030 5.5030 5.6186 5.6186 5.8542 5.8542 6.3298 6.3298 6.6194 6.6194 7.6475 7.6475 k = 0.4405 0.4405-0.0000 ( 5710 PWs) bands (ev): -20.4567 -20.4567 -17.6256 -17.6256 -17.5723 -17.5723 -17.5369 -17.5369 -15.7264 -15.7264 -15.7188 -15.7188 -15.5876 -15.5876 -7.5250 -7.5250 -6.7945 -6.7945 -6.7572 -6.7572 -5.2257 -5.2257 -4.5446 -4.5446 -4.2956 -4.2956 -3.6006 -3.6006 -3.4161 -3.4161 -3.3016 -3.3016 -3.1259 -3.1259 -2.7841 -2.7841 -2.7385 -2.7385 -2.5154 -2.5154 -2.4148 -2.4148 -1.8479 -1.8479 -1.6170 -1.6170 -1.2259 -1.2259 -1.1360 -1.1360 -1.1005 -1.1005 -0.3361 -0.3361 1.2210 1.2210 1.2898 1.2898 1.3857 1.3857 1.6402 1.6402 1.6795 1.6795 1.7523 1.7523 4.9810 4.9810 5.2933 5.2933 5.3162 5.3162 5.3608 5.3608 5.4940 5.4940 5.6236 5.6236 5.8456 5.8456 6.2993 6.2993 6.6270 6.6270 7.6285 7.6285 k = 0.4286 0.4286-0.0000 ( 5710 PWs) bands (ev): -20.4569 -20.4569 -17.6285 -17.6285 -17.5745 -17.5745 -17.5338 -17.5338 -15.7247 -15.7247 -15.7159 -15.7159 -15.5876 -15.5876 -7.5235 -7.5235 -6.8116 -6.8116 -6.7685 -6.7685 -5.2224 -5.2224 -4.5370 -4.5370 -4.2980 -4.2980 -3.5799 -3.5799 -3.4121 -3.4121 -3.2986 -3.2986 -3.1215 -3.1215 -2.7797 -2.7797 -2.7368 -2.7368 -2.5156 -2.5156 -2.4148 -2.4148 -1.8483 -1.8483 -1.6273 -1.6273 -1.2124 -1.2124 -1.1412 -1.1412 -1.1026 -1.1026 -0.3493 -0.3493 1.2309 1.2309 1.3013 1.3013 1.3867 1.3867 1.6382 1.6382 1.6795 1.6795 1.7501 1.7501 4.9702 4.9702 5.2921 5.2921 5.3119 5.3119 5.3605 5.3605 5.4839 5.4839 5.6288 5.6288 5.8346 5.8346 6.2672 6.2672 6.6324 6.6324 7.6056 7.6056 k = 0.4167 0.4167-0.0000 ( 5692 PWs) bands (ev): -20.4571 -20.4571 -17.6321 -17.6321 -17.5761 -17.5761 -17.5309 -17.5309 -15.7226 -15.7226 -15.7128 -15.7128 -15.5876 -15.5876 -7.5217 -7.5217 -6.8310 -6.8310 -6.7815 -6.7815 -5.2190 -5.2190 -4.5285 -4.5285 -4.3007 -4.3007 -3.5560 -3.5560 -3.4072 -3.4072 -3.2949 -3.2949 -3.1162 -3.1162 -2.7746 -2.7746 -2.7346 -2.7346 -2.5156 -2.5156 -2.4148 -2.4148 -1.8487 -1.8487 -1.6384 -1.6384 -1.1978 -1.1978 -1.1460 -1.1460 -1.1059 -1.1059 -0.3644 -0.3644 1.2422 1.2422 1.3146 1.3146 1.3878 1.3878 1.6360 1.6360 1.6789 1.6789 1.7480 1.7480 4.9568 4.9568 5.2892 5.2892 5.3082 5.3082 5.3606 5.3606 5.4729 5.4729 5.6340 5.6340 5.8213 5.8213 6.2346 6.2346 6.6348 6.6348 7.5791 7.5791 k = 0.4048 0.4048-0.0000 ( 5682 PWs) bands (ev): -20.4574 -20.4574 -17.6363 -17.6363 -17.5771 -17.5771 -17.5283 -17.5283 -15.7201 -15.7201 -15.7093 -15.7093 -15.5876 -15.5876 -7.5198 -7.5198 -6.8523 -6.8523 -6.7963 -6.7963 -5.2157 -5.2157 -4.5193 -4.5193 -4.3036 -4.3036 -3.5291 -3.5291 -3.4015 -3.4015 -3.2908 -3.2908 -3.1097 -3.1097 -2.7688 -2.7688 -2.7319 -2.7319 -2.5157 -2.5157 -2.4147 -2.4147 -1.8494 -1.8494 -1.6500 -1.6500 -1.1831 -1.1831 -1.1497 -1.1497 -1.1103 -1.1103 -0.3811 -0.3811 1.2545 1.2545 1.3294 1.3294 1.3892 1.3892 1.6336 1.6336 1.6778 1.6778 1.7462 1.7462 4.9408 4.9408 5.2842 5.2842 5.3052 5.3052 5.3616 5.3616 5.4611 5.4611 5.6393 5.6393 5.8054 5.8054 6.2024 6.2024 6.6338 6.6338 7.5490 7.5490 k = 0.3929 0.3929-0.0000 ( 5682 PWs) bands (ev): -20.4577 -20.4577 -17.6411 -17.6411 -17.5775 -17.5775 -17.5260 -17.5260 -15.7172 -15.7172 -15.7055 -15.7055 -15.5877 -15.5877 -7.5176 -7.5176 -6.8754 -6.8754 -6.8127 -6.8127 -5.2125 -5.2125 -4.5096 -4.5096 -4.3069 -4.3069 -3.4996 -3.4996 -3.3952 -3.3952 -3.2862 -3.2862 -3.1019 -3.1019 -2.7624 -2.7624 -2.7286 -2.7286 -2.5159 -2.5159 -2.4147 -2.4147 -1.8501 -1.8501 -1.6620 -1.6620 -1.1714 -1.1714 -1.1494 -1.1494 -1.1158 -1.1158 -0.3992 -0.3992 1.2676 1.2676 1.3455 1.3455 1.3907 1.3907 1.6309 1.6309 1.6759 1.6759 1.7448 1.7448 4.9217 4.9217 5.2775 5.2775 5.3023 5.3023 5.3638 5.3638 5.4487 5.4487 5.6444 5.6444 5.7870 5.7870 6.1715 6.1715 6.6294 6.6294 7.5158 7.5158 k = 0.3810 0.3810-0.0000 ( 5682 PWs) bands (ev): -20.4580 -20.4580 -17.6463 -17.6463 -17.5775 -17.5775 -17.5239 -17.5239 -15.7139 -15.7139 -15.7015 -15.7015 -15.5877 -15.5877 -7.5153 -7.5153 -6.9000 -6.9000 -6.8303 -6.8303 -5.2097 -5.2097 -4.4999 -4.4999 -4.3103 -4.3103 -3.4678 -3.4678 -3.3878 -3.3878 -3.2810 -3.2810 -3.0928 -3.0928 -2.7557 -2.7557 -2.7245 -2.7245 -2.5160 -2.5160 -2.4146 -2.4146 -1.8510 -1.8510 -1.6742 -1.6742 -1.1687 -1.1687 -1.1404 -1.1404 -1.1213 -1.1213 -0.4183 -0.4183 1.2813 1.2813 1.3626 1.3626 1.3925 1.3925 1.6278 1.6278 1.6734 1.6734 1.7439 1.7439 4.8994 4.8994 5.2698 5.2698 5.2989 5.2989 5.3673 5.3673 5.4357 5.4357 5.6493 5.6493 5.7662 5.7662 6.1424 6.1424 6.6213 6.6213 7.4795 7.4795 k = 0.3690 0.3690-0.0000 ( 5684 PWs) bands (ev): -20.4583 -20.4583 -17.6520 -17.6520 -17.5770 -17.5770 -17.5221 -17.5221 -15.7103 -15.7103 -15.6972 -15.6972 -15.5877 -15.5877 -7.5129 -7.5129 -6.9258 -6.9258 -6.8490 -6.8490 -5.2074 -5.2074 -4.4902 -4.4902 -4.3140 -4.3140 -3.4348 -3.4348 -3.3790 -3.3790 -3.2753 -3.2753 -3.0821 -3.0821 -2.7488 -2.7488 -2.7195 -2.7195 -2.5161 -2.5161 -2.4146 -2.4146 -1.8520 -1.8520 -1.6865 -1.6865 -1.1715 -1.1715 -1.1344 -1.1344 -1.1183 -1.1183 -0.4382 -0.4382 1.2953 1.2953 1.3795 1.3795 1.3957 1.3957 1.6241 1.6241 1.6704 1.6704 1.7438 1.7438 4.8737 4.8737 5.2612 5.2612 5.2947 5.2947 5.3722 5.3722 5.4223 5.4223 5.6540 5.6540 5.7433 5.7433 6.1156 6.1156 6.6096 6.6096 7.4406 7.4406 k = 0.3571 0.3571-0.0000 ( 5692 PWs) bands (ev): -20.4587 -20.4587 -17.6579 -17.6579 -17.5762 -17.5762 -17.5205 -17.5205 -15.7064 -15.7064 -15.6927 -15.6927 -15.5877 -15.5877 -7.5103 -7.5103 -6.9527 -6.9527 -6.8686 -6.8686 -5.2056 -5.2056 -4.4811 -4.4811 -4.3177 -4.3177 -3.4031 -3.4031 -3.3664 -3.3664 -3.2688 -3.2688 -3.0699 -3.0699 -2.7419 -2.7419 -2.7133 -2.7133 -2.5163 -2.5163 -2.4145 -2.4145 -1.8531 -1.8531 -1.6986 -1.6986 -1.1768 -1.1768 -1.1392 -1.1392 -1.1024 -1.1024 -0.4587 -0.4587 1.3092 1.3092 1.3902 1.3902 1.4061 1.4061 1.6196 1.6196 1.6674 1.6674 1.7442 1.7442 4.8444 4.8444 5.2519 5.2519 5.2895 5.2895 5.3782 5.3782 5.4085 5.4085 5.6585 5.6585 5.7191 5.7191 6.0911 6.0911 6.5944 6.5944 7.3991 7.3991 k = 0.3452 0.3452-0.0000 ( 5672 PWs) bands (ev): -20.4591 -20.4591 -17.6641 -17.6641 -17.5750 -17.5750 -17.5192 -17.5192 -15.7022 -15.7022 -15.6881 -15.6881 -15.5877 -15.5877 -7.5077 -7.5077 -6.9803 -6.9803 -6.8888 -6.8888 -5.2043 -5.2043 -4.4726 -4.4726 -4.3215 -4.3215 -3.3798 -3.3798 -3.3437 -3.3437 -3.2614 -3.2614 -3.0560 -3.0560 -2.7350 -2.7350 -2.7056 -2.7056 -2.5163 -2.5163 -2.4144 -2.4144 -1.8543 -1.8543 -1.7106 -1.7106 -1.1848 -1.1848 -1.1438 -1.1438 -1.0843 -1.0843 -0.4793 -0.4793 1.3230 1.3230 1.3934 1.3934 1.4245 1.4245 1.6141 1.6141 1.6647 1.6647 1.7451 1.7451 4.8115 4.8115 5.2421 5.2421 5.2834 5.2834 5.3842 5.3842 5.3956 5.3956 5.6625 5.6625 5.6944 5.6944 6.0690 6.0690 6.5758 6.5758 7.3555 7.3555 k = 0.3333 0.3333-0.0000 ( 5656 PWs) bands (ev): -20.4595 -20.4595 -17.6704 -17.6704 -17.5736 -17.5736 -17.5182 -17.5182 -15.6977 -15.6977 -15.6833 -15.6833 -15.5878 -15.5878 -7.5051 -7.5051 -7.0085 -7.0085 -6.9094 -6.9094 -5.2037 -5.2037 -4.4652 -4.4652 -4.3255 -4.3255 -3.3658 -3.3658 -3.3111 -3.3111 -3.2520 -3.2520 -3.0403 -3.0403 -2.7283 -2.7283 -2.6966 -2.6966 -2.5162 -2.5162 -2.4143 -2.4143 -1.8557 -1.8557 -1.7223 -1.7223 -1.1963 -1.1963 -1.1458 -1.1458 -1.0656 -1.0656 -0.5000 -0.5000 1.3362 1.3362 1.3952 1.3952 1.4450 1.4450 1.6074 1.6074 1.6627 1.6627 1.7465 1.7465 4.7748 4.7748 5.2317 5.2317 5.2763 5.2763 5.3774 5.3774 5.3962 5.3962 5.6633 5.6633 5.6732 5.6732 6.0490 6.0490 6.5539 6.5539 7.3101 7.3101 k = 0.3214 0.3214-0.0000 ( 5676 PWs) bands (ev): -20.4600 -20.4600 -17.6768 -17.6768 -17.5720 -17.5720 -17.5174 -17.5174 -15.6930 -15.6930 -15.6785 -15.6785 -15.5878 -15.5878 -7.5025 -7.5025 -7.0371 -7.0371 -6.9303 -6.9303 -5.2038 -5.2038 -4.4589 -4.4589 -4.3295 -4.3295 -3.3550 -3.3550 -3.2790 -3.2790 -3.2373 -3.2373 -3.0228 -3.0228 -2.7219 -2.7219 -2.6864 -2.6864 -2.5163 -2.5163 -2.4142 -2.4142 -1.8571 -1.8571 -1.7336 -1.7336 -1.2112 -1.2112 -1.1451 -1.1451 -1.0469 -1.0469 -0.5205 -0.5205 1.3487 1.3487 1.3964 1.3964 1.4662 1.4662 1.5994 1.5994 1.6616 1.6616 1.7482 1.7482 4.7343 4.7343 5.2209 5.2209 5.2681 5.2681 5.3630 5.3630 5.4050 5.4050 5.6446 5.6446 5.6723 5.6723 6.0308 6.0308 6.5288 6.5288 7.2629 7.2629 k = 0.3095 0.3095-0.0000 ( 5706 PWs) bands (ev): -20.4604 -20.4604 -17.6832 -17.6832 -17.5702 -17.5702 -17.5168 -17.5168 -15.6880 -15.6880 -15.6735 -15.6735 -15.5878 -15.5878 -7.5000 -7.5000 -7.0658 -7.0658 -6.9512 -6.9512 -5.2045 -5.2045 -4.4538 -4.4538 -4.3336 -4.3336 -3.3449 -3.3449 -3.2578 -3.2578 -3.2093 -3.2093 -3.0035 -3.0035 -2.7152 -2.7152 -2.6752 -2.6752 -2.5164 -2.5164 -2.4141 -2.4141 -1.8587 -1.8587 -1.7447 -1.7447 -1.2291 -1.2291 -1.1418 -1.1418 -1.0281 -1.0281 -0.5405 -0.5405 1.3603 1.3603 1.3975 1.3975 1.4877 1.4877 1.5903 1.5903 1.6616 1.6616 1.7502 1.7502 4.6902 4.6902 5.2096 5.2096 5.2587 5.2587 5.3478 5.3478 5.4151 5.4151 5.6236 5.6236 5.6757 5.6757 6.0141 6.0141 6.5009 6.5009 7.2144 7.2144 k = 0.2976 0.2976-0.0000 ( 5700 PWs) bands (ev): -20.4609 -20.4609 -17.6897 -17.6897 -17.5683 -17.5683 -17.5164 -17.5164 -15.6829 -15.6829 -15.6685 -15.6685 -15.5879 -15.5879 -7.4976 -7.4976 -7.0946 -7.0946 -6.9720 -6.9720 -5.2059 -5.2059 -4.4502 -4.4502 -4.3379 -4.3379 -3.3347 -3.3347 -3.2459 -3.2459 -3.1708 -3.1708 -2.9824 -2.9824 -2.7082 -2.7082 -2.6629 -2.6629 -2.5163 -2.5163 -2.4139 -2.4139 -1.8604 -1.8604 -1.7553 -1.7553 -1.2493 -1.2493 -1.1363 -1.1363 -1.0095 -1.0095 -0.5599 -0.5599 1.3708 1.3708 1.3984 1.3984 1.5093 1.5093 1.5803 1.5803 1.6626 1.6626 1.7523 1.7523 4.6425 4.6425 5.1980 5.1980 5.2482 5.2482 5.3324 5.3324 5.4260 5.4260 5.6052 5.6052 5.6791 5.6791 5.9986 5.9986 6.4703 6.4703 7.1649 7.1649 k = 0.2857 0.2857-0.0000 ( 5702 PWs) bands (ev): -20.4614 -20.4614 -17.6961 -17.6961 -17.5662 -17.5662 -17.5162 -17.5162 -15.6776 -15.6776 -15.6634 -15.6634 -15.5879 -15.5879 -7.4954 -7.4954 -7.1232 -7.1232 -6.9924 -6.9924 -5.2079 -5.2079 -4.4478 -4.4478 -4.3425 -4.3425 -3.3244 -3.3244 -3.2369 -3.2369 -3.1286 -3.1286 -2.9594 -2.9594 -2.7007 -2.7007 -2.6500 -2.6500 -2.5161 -2.5161 -2.4138 -2.4138 -1.8620 -1.8620 -1.7654 -1.7654 -1.2718 -1.2718 -1.1288 -1.1288 -0.9912 -0.9912 -0.5785 -0.5785 1.3798 1.3798 1.3993 1.3993 1.5305 1.5305 1.5696 1.5696 1.6645 1.6645 1.7546 1.7546 4.5916 4.5916 5.1862 5.1862 5.2365 5.2365 5.3167 5.3167 5.4375 5.4375 5.5900 5.5900 5.6825 5.6825 5.9841 5.9841 6.4375 6.4375 7.1146 7.1146 k = 0.2738 0.2738-0.0000 ( 5710 PWs) bands (ev): -20.4619 -20.4619 -17.7024 -17.7024 -17.5641 -17.5641 -17.5161 -17.5161 -15.6723 -15.6723 -15.6584 -15.6584 -15.5879 -15.5879 -7.4934 -7.4934 -7.1516 -7.1516 -7.0122 -7.0122 -5.2104 -5.2104 -4.4466 -4.4466 -4.3475 -4.3475 -3.3141 -3.3141 -3.2290 -3.2290 -3.0850 -3.0850 -2.9349 -2.9349 -2.6926 -2.6926 -2.6365 -2.6365 -2.5159 -2.5159 -2.4136 -2.4136 -1.8637 -1.8637 -1.7751 -1.7751 -1.2962 -1.2962 -1.1194 -1.1194 -0.9733 -0.9733 -0.5962 -0.5962 1.3867 1.3867 1.4008 1.4008 1.5487 1.5487 1.5610 1.5610 1.6673 1.6673 1.7570 1.7570 4.5377 4.5377 5.1742 5.1742 5.2239 5.2239 5.3010 5.3010 5.4496 5.4496 5.5783 5.5783 5.6857 5.6857 5.9701 5.9701 6.4025 6.4025 7.0637 7.0637 k = 0.2619 0.2619-0.0000 ( 5702 PWs) bands (ev): -20.4625 -20.4625 -17.7087 -17.7087 -17.5619 -17.5619 -17.5163 -17.5163 -15.6668 -15.6668 -15.6534 -15.6534 -15.5879 -15.5879 -7.4917 -7.4917 -7.1795 -7.1795 -7.0314 -7.0314 -5.2135 -5.2135 -4.4465 -4.4465 -4.3529 -4.3529 -3.3035 -3.3035 -3.2216 -3.2216 -3.0410 -3.0410 -2.9089 -2.9089 -2.6836 -2.6836 -2.6225 -2.6225 -2.5155 -2.5155 -2.4134 -2.4134 -1.8654 -1.8654 -1.7843 -1.7843 -1.3223 -1.3223 -1.1082 -1.1082 -0.9558 -0.9558 -0.6128 -0.6128 1.3908 1.3908 1.4035 1.4035 1.5439 1.5439 1.5746 1.5746 1.6710 1.6710 1.7594 1.7594 4.4811 4.4811 5.1622 5.1622 5.2106 5.2106 5.2853 5.2853 5.4622 5.4622 5.5700 5.5700 5.6887 5.6887 5.9567 5.9567 6.3658 6.3658 7.0126 7.0126 k = 0.2500 0.2500-0.0000 ( 5700 PWs) bands (ev): -20.4630 -20.4630 -17.7148 -17.7148 -17.5596 -17.5596 -17.5165 -17.5165 -15.6613 -15.6613 -15.6484 -15.6484 -15.5880 -15.5880 -7.4903 -7.4903 -7.2069 -7.2069 -7.0498 -7.0498 -5.2171 -5.2171 -4.4473 -4.4473 -4.3588 -4.3588 -3.2929 -3.2929 -3.2146 -3.2146 -2.9971 -2.9971 -2.8816 -2.8816 -2.6738 -2.6738 -2.6083 -2.6083 -2.5151 -2.5151 -2.4132 -2.4132 -1.8671 -1.8671 -1.7931 -1.7931 -1.3501 -1.3501 -1.0952 -1.0952 -0.9387 -0.9387 -0.6284 -0.6284 1.3922 1.3922 1.4072 1.4072 1.5320 1.5320 1.5944 1.5944 1.6755 1.6755 1.7618 1.7618 4.4224 4.4224 5.1504 5.1504 5.1969 5.1969 5.2695 5.2695 5.4751 5.4751 5.5649 5.5649 5.6916 5.6916 5.9436 5.9436 6.3276 6.3276 6.9614 6.9614 k = 0.2381 0.2381-0.0000 ( 5702 PWs) bands (ev): -20.4635 -20.4635 -17.7208 -17.7208 -17.5573 -17.5573 -17.5169 -17.5169 -15.6559 -15.6559 -15.6435 -15.6435 -15.5880 -15.5880 -7.4894 -7.4894 -7.2336 -7.2336 -7.0672 -7.0672 -5.2211 -5.2211 -4.4489 -4.4489 -4.3653 -4.3653 -3.2822 -3.2822 -3.2080 -3.2080 -2.9535 -2.9535 -2.8533 -2.8533 -2.6630 -2.6630 -2.5939 -2.5939 -2.5145 -2.5145 -2.4130 -2.4130 -1.8687 -1.8687 -1.8013 -1.8013 -1.3792 -1.3792 -1.0807 -1.0807 -0.9222 -0.9222 -0.6429 -0.6429 1.3920 1.3920 1.4108 1.4108 1.5195 1.5195 1.6137 1.6137 1.6807 1.6807 1.7642 1.7642 4.3619 4.3619 5.1387 5.1387 5.1832 5.1832 5.2539 5.2539 5.4883 5.4883 5.5627 5.5627 5.6944 5.6944 5.9308 5.9308 6.2882 6.2882 6.9106 6.9106 k = 0.2262 0.2262-0.0000 ( 5706 PWs) bands (ev): -20.4641 -20.4641 -17.7266 -17.7266 -17.5550 -17.5550 -17.5174 -17.5174 -15.6504 -15.6504 -15.6387 -15.6387 -15.5880 -15.5880 -7.4888 -7.4888 -7.2596 -7.2596 -7.0836 -7.0836 -5.2255 -5.2255 -4.4511 -4.4511 -4.3723 -4.3723 -3.2716 -3.2716 -3.2018 -3.2018 -2.9106 -2.9106 -2.8244 -2.8244 -2.6511 -2.6511 -2.5795 -2.5795 -2.5139 -2.5139 -2.4128 -2.4128 -1.8703 -1.8703 -1.8090 -1.8090 -1.4095 -1.4095 -1.0646 -1.0646 -0.9063 -0.9063 -0.6562 -0.6562 1.3910 1.3910 1.4134 1.4134 1.5069 1.5069 1.6323 1.6323 1.6865 1.6865 1.7665 1.7665 4.3002 4.3002 5.1274 5.1274 5.1698 5.1698 5.2384 5.2384 5.5017 5.5017 5.5630 5.5630 5.6969 5.6969 5.9180 5.9180 6.2480 6.2480 6.8602 6.8602 k = 0.2143 0.2143-0.0000 ( 5710 PWs) bands (ev): -20.4646 -20.4646 -17.7322 -17.7322 -17.5527 -17.5527 -17.5180 -17.5180 -15.6450 -15.6450 -15.6341 -15.6341 -15.5881 -15.5881 -7.4887 -7.4887 -7.2847 -7.2847 -7.0988 -7.0988 -5.2302 -5.2302 -4.4537 -4.4537 -4.3799 -4.3799 -3.2611 -3.2611 -3.1960 -3.1960 -2.8686 -2.8686 -2.7953 -2.7953 -2.6379 -2.6379 -2.5653 -2.5653 -2.5130 -2.5130 -2.4126 -2.4126 -1.8719 -1.8719 -1.8162 -1.8162 -1.4408 -1.4408 -1.0471 -1.0471 -0.8910 -0.8910 -0.6684 -0.6684 1.3895 1.3895 1.4150 1.4150 1.4943 1.4943 1.6499 1.6499 1.6930 1.6930 1.7689 1.7689 4.2378 4.2378 5.1166 5.1166 5.1569 5.1569 5.2231 5.2231 5.5151 5.5151 5.5655 5.5655 5.6994 5.6994 5.9053 5.9053 6.2073 6.2073 6.8105 6.8105 k = 0.2024 0.2024-0.0000 ( 5706 PWs) bands (ev): -20.4652 -20.4652 -17.7375 -17.7375 -17.5504 -17.5504 -17.5186 -17.5186 -15.6397 -15.6397 -15.6295 -15.6295 -15.5881 -15.5881 -7.4892 -7.4892 -7.3089 -7.3089 -7.1128 -7.1128 -5.2351 -5.2351 -4.4567 -4.4567 -4.3880 -4.3880 -3.2507 -3.2507 -3.1905 -3.1905 -2.8277 -2.8277 -2.7664 -2.7664 -2.6232 -2.6232 -2.5514 -2.5514 -2.5117 -2.5117 -2.4123 -2.4123 -1.8735 -1.8735 -1.8229 -1.8229 -1.4728 -1.4728 -1.0283 -1.0283 -0.8764 -0.8764 -0.6795 -0.6795 1.3877 1.3877 1.4154 1.4154 1.4817 1.4817 1.6664 1.6664 1.6999 1.6999 1.7712 1.7712 4.1751 4.1751 5.1063 5.1063 5.1448 5.1448 5.2081 5.2081 5.5286 5.5286 5.5698 5.5698 5.7017 5.7017 5.8927 5.8927 6.1663 6.1663 6.7619 6.7619 k = 0.1905 0.1905-0.0000 ( 5710 PWs) bands (ev): -20.4657 -20.4657 -17.7427 -17.7427 -17.5482 -17.5482 -17.5193 -17.5193 -15.6345 -15.6345 -15.6252 -15.6252 -15.5881 -15.5881 -7.4900 -7.4900 -7.3321 -7.3321 -7.1255 -7.1255 -5.2403 -5.2403 -4.4599 -4.4599 -4.3964 -4.3964 -3.2406 -3.2406 -3.1855 -3.1855 -2.7881 -2.7881 -2.7382 -2.7382 -2.6072 -2.6072 -2.5384 -2.5384 -2.5099 -2.5099 -2.4121 -2.4121 -1.8750 -1.8750 -1.8290 -1.8290 -1.5054 -1.5054 -1.0085 -1.0085 -0.8625 -0.8625 -0.6895 -0.6895 1.3856 1.3856 1.4146 1.4146 1.4694 1.4694 1.6817 1.6817 1.7074 1.7074 1.7734 1.7734 4.1127 4.1127 5.0968 5.0968 5.1335 5.1335 5.1935 5.1935 5.5419 5.5419 5.5756 5.5756 5.7039 5.7039 5.8801 5.8801 6.1255 6.1255 6.7144 6.7144 k = 0.1786 0.1786-0.0000 ( 5698 PWs) bands (ev): -20.4662 -20.4662 -17.7476 -17.7476 -17.5460 -17.5460 -17.5200 -17.5200 -15.6295 -15.6295 -15.6210 -15.6210 -15.5882 -15.5882 -7.4914 -7.4914 -7.3542 -7.3542 -7.1369 -7.1369 -5.2456 -5.2456 -4.4631 -4.4631 -4.4052 -4.4052 -3.2306 -3.2306 -3.1808 -3.1808 -2.7500 -2.7500 -2.7109 -2.7109 -2.5896 -2.5896 -2.5272 -2.5272 -2.5063 -2.5063 -2.4119 -2.4119 -1.8764 -1.8764 -1.8346 -1.8346 -1.5382 -1.5382 -0.9878 -0.9878 -0.8493 -0.8493 -0.6985 -0.6985 1.3833 1.3833 1.4128 1.4128 1.4574 1.4574 1.6955 1.6955 1.7153 1.7153 1.7756 1.7756 4.0511 4.0511 5.0882 5.0882 5.1231 5.1231 5.1794 5.1794 5.5549 5.5549 5.5829 5.5829 5.7059 5.7059 5.8675 5.8675 6.0851 6.0851 6.6683 6.6683 k = 0.1667 0.1667-0.0000 ( 5702 PWs) bands (ev): -20.4667 -20.4667 -17.7523 -17.7523 -17.5438 -17.5438 -17.5208 -17.5208 -15.6247 -15.6247 -15.6170 -15.6170 -15.5882 -15.5882 -7.4932 -7.4932 -7.3751 -7.3751 -7.1470 -7.1470 -5.2509 -5.2509 -4.4664 -4.4664 -4.4141 -4.4141 -3.2211 -3.2211 -3.1765 -3.1765 -2.7136 -2.7136 -2.6848 -2.6848 -2.5707 -2.5707 -2.5196 -2.5196 -2.4996 -2.4996 -2.4116 -2.4116 -1.8779 -1.8779 -1.8396 -1.8396 -1.5712 -1.5712 -0.9664 -0.9664 -0.8369 -0.8369 -0.7065 -0.7065 1.3808 1.3808 1.4100 1.4100 1.4458 1.4458 1.7078 1.7078 1.7237 1.7237 1.7777 1.7777 3.9907 3.9907 5.0804 5.0804 5.1137 5.1137 5.1657 5.1657 5.5673 5.5673 5.5914 5.5914 5.7079 5.7079 5.8548 5.8548 6.0454 6.0454 6.6239 6.6239 k = 0.1548 0.1548-0.0000 ( 5693 PWs) bands (ev): -20.4672 -20.4672 -17.7566 -17.7566 -17.5418 -17.5418 -17.5215 -17.5215 -15.6200 -15.6200 -15.6133 -15.6133 -15.5882 -15.5882 -7.4955 -7.4955 -7.3949 -7.3949 -7.1559 -7.1559 -5.2563 -5.2563 -4.4697 -4.4697 -4.4230 -4.4230 -3.2120 -3.2120 -3.1725 -3.1725 -2.6791 -2.6791 -2.6599 -2.6599 -2.5509 -2.5509 -2.5155 -2.5155 -2.4897 -2.4897 -2.4114 -2.4114 -1.8794 -1.8794 -1.8441 -1.8441 -1.6039 -1.6039 -0.9447 -0.9447 -0.8252 -0.8252 -0.7134 -0.7134 1.3782 1.3782 1.4063 1.4063 1.4347 1.4347 1.7186 1.7186 1.7323 1.7323 1.7799 1.7799 3.9321 3.9321 5.0735 5.0735 5.1052 5.1052 5.1526 5.1526 5.5791 5.5791 5.6009 5.6009 5.7097 5.7097 5.8423 5.8423 6.0068 6.0068 6.5813 6.5813 k = 0.1429 0.1429-0.0000 ( 5689 PWs) bands (ev): -20.4676 -20.4676 -17.7607 -17.7607 -17.5398 -17.5398 -17.5223 -17.5223 -15.6156 -15.6156 -15.6097 -15.6097 -15.5882 -15.5882 -7.4980 -7.4980 -7.4134 -7.4134 -7.1636 -7.1636 -5.2615 -5.2615 -4.4729 -4.4729 -4.4318 -4.4318 -3.2033 -3.2033 -3.1689 -3.1689 -2.6471 -2.6471 -2.6356 -2.6356 -2.5312 -2.5312 -2.5126 -2.5126 -2.4786 -2.4786 -2.4112 -2.4112 -1.8810 -1.8810 -1.8480 -1.8480 -1.6361 -1.6361 -0.9229 -0.9229 -0.8144 -0.8144 -0.7195 -0.7195 1.3756 1.3756 1.4020 1.4020 1.4241 1.4241 1.7281 1.7281 1.7409 1.7409 1.7820 1.7820 3.8757 3.8757 5.0676 5.0676 5.0976 5.0976 5.1402 5.1402 5.5902 5.5902 5.6113 5.6113 5.7113 5.7113 5.8297 5.8297 5.9696 5.9696 6.5407 6.5407 k = 0.1310 0.1310-0.0000 ( 5681 PWs) bands (ev): -20.4681 -20.4681 -17.7645 -17.7645 -17.5380 -17.5380 -17.5230 -17.5230 -15.6115 -15.6115 -15.6064 -15.6064 -15.5883 -15.5883 -7.5008 -7.5008 -7.4306 -7.4306 -7.1702 -7.1702 -5.2667 -5.2667 -4.4759 -4.4759 -4.4404 -4.4404 -3.1952 -3.1952 -3.1657 -3.1657 -2.6194 -2.6194 -2.6102 -2.6102 -2.5162 -2.5162 -2.5057 -2.5057 -2.4674 -2.4674 -2.4110 -2.4110 -1.8826 -1.8826 -1.8514 -1.8514 -1.6676 -1.6676 -0.9013 -0.9013 -0.8043 -0.8043 -0.7246 -0.7246 1.3729 1.3729 1.3971 1.3971 1.4141 1.4141 1.7365 1.7365 1.7491 1.7491 1.7841 1.7841 3.8219 3.8219 5.0625 5.0625 5.0910 5.0910 5.1286 5.1286 5.6006 5.6006 5.6223 5.6223 5.7129 5.7129 5.8173 5.8173 5.9340 5.9340 6.5024 6.5024 k = 0.1190 0.1190-0.0000 ( 5679 PWs) bands (ev): -20.4685 -20.4685 -17.7680 -17.7680 -17.5362 -17.5362 -17.5237 -17.5237 -15.6077 -15.6077 -15.6034 -15.6034 -15.5883 -15.5883 -7.5038 -7.5038 -7.4464 -7.4464 -7.1758 -7.1758 -5.2716 -5.2716 -4.4788 -4.4788 -4.4487 -4.4487 -3.1876 -3.1876 -3.1628 -3.1628 -2.5962 -2.5962 -2.5832 -2.5832 -2.5124 -2.5124 -2.4888 -2.4888 -2.4567 -2.4567 -2.4108 -2.4108 -1.8842 -1.8842 -1.8542 -1.8542 -1.6980 -1.6980 -0.8803 -0.8803 -0.7951 -0.7951 -0.7288 -0.7288 1.3703 1.3703 1.3918 1.3918 1.4049 1.4049 1.7442 1.7442 1.7564 1.7564 1.7863 1.7863 3.7712 3.7712 5.0582 5.0582 5.0853 5.0853 5.1178 5.1178 5.6105 5.6105 5.6333 5.6333 5.7143 5.7143 5.8049 5.8049 5.9005 5.9005 6.4664 6.4664 k = 0.1071 0.1071-0.0000 ( 5683 PWs) bands (ev): -20.4689 -20.4689 -17.7712 -17.7712 -17.5346 -17.5346 -17.5243 -17.5243 -15.6041 -15.6041 -15.6006 -15.6006 -15.5883 -15.5883 -7.5068 -7.5068 -7.4609 -7.4609 -7.1805 -7.1805 -5.2763 -5.2763 -4.4815 -4.4815 -4.4566 -4.4566 -3.1807 -3.1807 -3.1603 -3.1603 -2.5750 -2.5750 -2.5572 -2.5572 -2.5108 -2.5108 -2.4713 -2.4713 -2.4464 -2.4464 -2.4107 -2.4107 -1.8860 -1.8860 -1.8566 -1.8566 -1.7270 -1.7270 -0.8603 -0.8603 -0.7867 -0.7867 -0.7322 -0.7322 1.3678 1.3678 1.3863 1.3863 1.3964 1.3964 1.7511 1.7511 1.7626 1.7626 1.7885 1.7885 3.7239 3.7239 5.0546 5.0546 5.0805 5.0805 5.1080 5.1080 5.6201 5.6201 5.6442 5.6442 5.7156 5.7156 5.7927 5.7927 5.8692 5.8692 6.4331 6.4331 k = 0.0952 0.0952-0.0000 ( 5679 PWs) bands (ev): -20.4692 -20.4692 -17.7741 -17.7741 -17.5332 -17.5332 -17.5249 -17.5249 -15.6009 -15.6009 -15.5981 -15.5981 -15.5883 -15.5883 -7.5098 -7.5098 -7.4739 -7.4739 -7.1843 -7.1843 -5.2807 -5.2807 -4.4839 -4.4839 -4.4638 -4.4638 -3.1744 -3.1744 -3.1581 -3.1581 -2.5548 -2.5548 -2.5334 -2.5334 -2.5093 -2.5093 -2.4557 -2.4557 -2.4367 -2.4367 -2.4105 -2.4105 -1.8878 -1.8878 -1.8585 -1.8585 -1.7543 -1.7543 -0.8417 -0.8417 -0.7789 -0.7789 -0.7347 -0.7347 1.3654 1.3654 1.3808 1.3808 1.3886 1.3886 1.7574 1.7574 1.7678 1.7678 1.7909 1.7909 3.6806 3.6806 5.0515 5.0515 5.0766 5.0766 5.0991 5.0991 5.6294 5.6294 5.6546 5.6546 5.7167 5.7167 5.7806 5.7806 5.8404 5.8404 6.4026 6.4026 k = 0.0833 0.0833-0.0000 ( 5669 PWs) bands (ev): -20.4695 -20.4695 -17.7767 -17.7767 -17.5319 -17.5319 -17.5255 -17.5255 -15.5980 -15.5980 -15.5958 -15.5958 -15.5883 -15.5883 -7.5127 -7.5127 -7.4854 -7.4854 -7.1875 -7.1875 -5.2847 -5.2847 -4.4861 -4.4861 -4.4705 -4.4705 -3.1687 -3.1687 -3.1561 -3.1561 -2.5354 -2.5354 -2.5141 -2.5141 -2.5056 -2.5056 -2.4428 -2.4428 -2.4275 -2.4275 -2.4102 -2.4102 -1.8898 -1.8898 -1.8600 -1.8600 -1.7794 -1.7794 -0.8250 -0.8250 -0.7717 -0.7717 -0.7364 -0.7364 1.3630 1.3630 1.3755 1.3755 1.3818 1.3818 1.7630 1.7630 1.7719 1.7719 1.7934 1.7934 3.6414 3.6414 5.0488 5.0488 5.0735 5.0735 5.0913 5.0913 5.6385 5.6385 5.6642 5.6642 5.7178 5.7178 5.7687 5.7687 5.8147 5.8147 6.3750 6.3750 k = 0.0714 0.0714-0.0000 ( 5675 PWs) bands (ev): -20.4698 -20.4698 -17.7789 -17.7789 -17.5307 -17.5307 -17.5260 -17.5260 -15.5955 -15.5955 -15.5939 -15.5939 -15.5883 -15.5883 -7.5154 -7.5154 -7.4955 -7.4955 -7.1900 -7.1900 -5.2882 -5.2882 -4.4881 -4.4881 -4.4764 -4.4764 -3.1638 -3.1638 -3.1545 -3.1545 -2.5180 -2.5180 -2.5076 -2.5076 -2.4906 -2.4906 -2.4327 -2.4327 -2.4194 -2.4194 -2.4098 -2.4098 -1.8918 -1.8918 -1.8612 -1.8612 -1.8019 -1.8019 -0.8109 -0.8109 -0.7648 -0.7648 -0.7373 -0.7373 1.3608 1.3608 1.3707 1.3707 1.3758 1.3758 1.7680 1.7680 1.7750 1.7750 1.7958 1.7958 3.6067 3.6067 5.0464 5.0464 5.0712 5.0712 5.0847 5.0847 5.6474 5.6474 5.6728 5.6728 5.7187 5.7187 5.7571 5.7571 5.7921 5.7921 6.3506 6.3506 k = 0.0595 0.0595-0.0000 ( 5683 PWs) bands (ev): -20.4701 -20.4701 -17.7808 -17.7808 -17.5297 -17.5297 -17.5264 -17.5264 -15.5934 -15.5934 -15.5922 -15.5922 -15.5884 -15.5884 -7.5178 -7.5178 -7.5041 -7.5041 -7.1919 -7.1919 -5.2914 -5.2914 -4.4897 -4.4897 -4.4815 -4.4815 -3.1597 -3.1597 -3.1531 -3.1531 -2.5104 -2.5104 -2.4960 -2.4960 -2.4745 -2.4745 -2.4252 -2.4252 -2.4137 -2.4137 -2.4086 -2.4086 -1.8940 -1.8940 -1.8622 -1.8622 -1.8214 -1.8214 -0.7997 -0.7997 -0.7579 -0.7579 -0.7375 -0.7375 1.3586 1.3586 1.3665 1.3665 1.3706 1.3706 1.7721 1.7721 1.7773 1.7773 1.7981 1.7981 3.5769 3.5769 5.0443 5.0443 5.0696 5.0696 5.0791 5.0791 5.6561 5.6561 5.6800 5.6800 5.7194 5.7194 5.7461 5.7461 5.7728 5.7728 6.3296 6.3296 k = 0.0476 0.0476-0.0000 ( 5683 PWs) bands (ev): -20.4703 -20.4703 -17.7823 -17.7823 -17.5289 -17.5289 -17.5268 -17.5268 -15.5916 -15.5916 -15.5908 -15.5908 -15.5884 -15.5884 -7.5198 -7.5198 -7.5111 -7.5111 -7.1934 -7.1934 -5.2940 -5.2940 -4.4911 -4.4911 -4.4858 -4.4858 -3.1562 -3.1562 -3.1520 -3.1520 -2.5090 -2.5090 -2.4796 -2.4796 -2.4608 -2.4608 -2.4198 -2.4198 -2.4115 -2.4115 -2.4059 -2.4059 -1.8965 -1.8965 -1.8629 -1.8629 -1.8374 -1.8374 -0.7917 -0.7917 -0.7512 -0.7512 -0.7373 -0.7373 1.3565 1.3565 1.3633 1.3633 1.3663 1.3663 1.7755 1.7755 1.7790 1.7790 1.8002 1.8002 3.5522 3.5522 5.0423 5.0423 5.0686 5.0686 5.0748 5.0748 5.6647 5.6647 5.6855 5.6855 5.7199 5.7199 5.7364 5.7364 5.7568 5.7568 6.3121 6.3121 k = 0.0357 0.0357-0.0000 ( 5695 PWs) bands (ev): -20.4704 -20.4704 -17.7835 -17.7835 -17.5283 -17.5283 -17.5271 -17.5271 -15.5902 -15.5902 -15.5898 -15.5898 -15.5884 -15.5884 -7.5215 -7.5215 -7.5166 -7.5166 -7.1945 -7.1945 -5.2960 -5.2960 -4.4922 -4.4922 -4.4892 -4.4892 -3.1536 -3.1536 -3.1512 -3.1512 -2.5083 -2.5083 -2.4642 -2.4642 -2.4499 -2.4499 -2.4168 -2.4168 -2.4103 -2.4103 -2.4043 -2.4043 -1.8991 -1.8991 -1.8634 -1.8634 -1.8496 -1.8496 -0.7864 -0.7864 -0.7450 -0.7450 -0.7368 -0.7368 1.3544 1.3544 1.3610 1.3610 1.3629 1.3629 1.7782 1.7782 1.7801 1.7801 1.8019 1.8019 3.5327 3.5327 5.0407 5.0407 5.0679 5.0679 5.0715 5.0715 5.6730 5.6730 5.6889 5.6889 5.7199 5.7199 5.7289 5.7289 5.7437 5.7437 6.2982 6.2982 k = 0.0238 0.0238-0.0000 ( 5709 PWs) bands (ev): -20.4705 -20.4705 -17.7844 -17.7844 -17.5278 -17.5278 -17.5273 -17.5273 -15.5892 -15.5892 -15.5890 -15.5890 -15.5884 -15.5884 -7.5227 -7.5227 -7.5205 -7.5205 -7.1953 -7.1953 -5.2975 -5.2975 -4.4930 -4.4930 -4.4916 -4.4916 -3.1517 -3.1517 -3.1506 -3.1506 -2.5080 -2.5080 -2.4506 -2.4506 -2.4419 -2.4419 -2.4162 -2.4162 -2.4088 -2.4088 -2.4047 -2.4047 -1.9016 -1.9016 -1.8637 -1.8637 -1.8578 -1.8578 -0.7832 -0.7832 -0.7400 -0.7400 -0.7362 -0.7362 1.3527 1.3527 1.3596 1.3596 1.3605 1.3605 1.7800 1.7800 1.7809 1.7809 1.8031 1.8031 3.5186 3.5186 5.0394 5.0394 5.0676 5.0676 5.0692 5.0692 5.6807 5.6807 5.6902 5.6902 5.7188 5.7188 5.7250 5.7250 5.7332 5.7332 6.2882 6.2882 k = 0.0119 0.0119-0.0000 ( 5709 PWs) bands (ev): -20.4706 -20.4706 -17.7849 -17.7849 -17.5275 -17.5275 -17.5274 -17.5274 -15.5887 -15.5887 -15.5885 -15.5885 -15.5884 -15.5884 -7.5234 -7.5234 -7.5229 -7.5229 -7.1957 -7.1957 -5.2984 -5.2984 -4.4934 -4.4934 -4.4931 -4.4931 -3.1506 -3.1506 -3.1503 -3.1503 -2.5078 -2.5078 -2.4399 -2.4399 -2.4368 -2.4368 -2.4174 -2.4174 -2.4075 -2.4075 -2.4062 -2.4062 -1.9035 -1.9035 -1.8639 -1.8639 -1.8625 -1.8625 -0.7816 -0.7816 -0.7368 -0.7368 -0.7358 -0.7358 1.3516 1.3516 1.3588 1.3588 1.3590 1.3590 1.7812 1.7812 1.7814 1.7814 1.8039 1.8039 3.5102 3.5102 5.0386 5.0386 5.0674 5.0674 5.0678 5.0678 5.6872 5.6872 5.6902 5.6902 5.7168 5.7168 5.7240 5.7240 5.7262 5.7262 6.2822 6.2822 k = 0.0000 0.0000 0.0000 ( 5695 PWs) bands (ev): -20.4706 -20.4706 -17.7851 -17.7851 -17.5274 -17.5274 -17.5274 -17.5274 -15.5885 -15.5885 -15.5883 -15.5883 -15.5883 -15.5883 -7.5237 -7.5237 -7.5237 -7.5237 -7.1958 -7.1958 -5.2987 -5.2987 -4.4936 -4.4936 -4.4936 -4.4936 -3.1501 -3.1501 -3.1501 -3.1501 -2.5076 -2.5076 -2.4351 -2.4351 -2.4351 -2.4351 -2.4187 -2.4187 -2.4070 -2.4070 -2.4070 -2.4070 -1.9042 -1.9042 -1.8640 -1.8640 -1.8640 -1.8640 -0.7810 -0.7810 -0.7357 -0.7357 -0.7357 -0.7357 1.3512 1.3512 1.3585 1.3585 1.3585 1.3585 1.7815 1.7815 1.7815 1.7815 1.8042 1.8042 3.5073 3.5073 5.0384 5.0384 5.0674 5.0674 5.0674 5.0674 5.6900 5.6900 5.6900 5.6900 5.7154 5.7154 5.7238 5.7238 5.7238 5.7238 6.2802 6.2802 k = 0.0000 0.0000 0.0000 ( 5695 PWs) bands (ev): -20.4706 -20.4706 -17.7851 -17.7851 -17.5274 -17.5274 -17.5274 -17.5274 -15.5885 -15.5885 -15.5883 -15.5883 -15.5883 -15.5883 -7.5237 -7.5237 -7.5237 -7.5237 -7.1958 -7.1958 -5.2987 -5.2987 -4.4936 -4.4936 -4.4936 -4.4936 -3.1501 -3.1501 -3.1501 -3.1501 -2.5076 -2.5076 -2.4351 -2.4351 -2.4351 -2.4351 -2.4187 -2.4187 -2.4070 -2.4070 -2.4070 -2.4070 -1.9042 -1.9042 -1.8640 -1.8640 -1.8640 -1.8640 -0.7810 -0.7810 -0.7357 -0.7357 -0.7357 -0.7357 1.3512 1.3512 1.3585 1.3585 1.3585 1.3585 1.7815 1.7815 1.7815 1.7815 1.8042 1.8042 3.5073 3.5073 5.0384 5.0384 5.0674 5.0674 5.0674 5.0674 5.6900 5.6900 5.6900 5.6900 5.7154 5.7154 5.7238 5.7238 5.7238 5.7238 6.2802 6.2802 k = 0.0098 0.0098 0.0098 ( 5713 PWs) bands (ev): -20.4706 -20.4706 -17.7849 -17.7849 -17.5275 -17.5275 -17.5275 -17.5275 -15.5886 -15.5886 -15.5885 -15.5885 -15.5884 -15.5884 -7.5232 -7.5232 -7.5231 -7.5231 -7.1957 -7.1957 -5.2984 -5.2984 -4.4934 -4.4934 -4.4932 -4.4932 -3.1505 -3.1505 -3.1504 -3.1504 -2.5078 -2.5078 -2.4390 -2.4390 -2.4379 -2.4379 -2.4174 -2.4174 -2.4075 -2.4075 -2.4061 -2.4061 -1.9035 -1.9035 -1.8639 -1.8639 -1.8625 -1.8625 -0.7816 -0.7816 -0.7369 -0.7369 -0.7358 -0.7358 1.3516 1.3516 1.3588 1.3588 1.3590 1.3590 1.7811 1.7811 1.7814 1.7814 1.8039 1.8039 3.5102 3.5102 5.0386 5.0386 5.0676 5.0676 5.0677 5.0677 5.6884 5.6884 5.6888 5.6888 5.7168 5.7168 5.7243 5.7243 5.7259 5.7259 6.2822 6.2822 k = 0.0196 0.0196 0.0196 ( 5719 PWs) bands (ev): -20.4705 -20.4705 -17.7844 -17.7844 -17.5275 -17.5275 -17.5275 -17.5275 -15.5890 -15.5890 -15.5889 -15.5889 -15.5887 -15.5887 -7.5216 -7.5216 -7.5215 -7.5215 -7.1953 -7.1953 -5.2975 -5.2975 -4.4927 -4.4927 -4.4919 -4.4919 -3.1512 -3.1512 -3.1512 -3.1512 -2.5080 -2.5080 -2.4475 -2.4475 -2.4451 -2.4451 -2.4175 -2.4175 -2.4078 -2.4078 -2.4045 -2.4045 -1.9016 -1.9016 -1.8632 -1.8632 -1.8582 -1.8582 -0.7833 -0.7833 -0.7402 -0.7402 -0.7360 -0.7360 1.3527 1.3527 1.3595 1.3595 1.3605 1.3605 1.7799 1.7799 1.7810 1.7810 1.8031 1.8031 3.5188 3.5188 5.0395 5.0395 5.0683 5.0683 5.0685 5.0685 5.6847 5.6847 5.6859 5.6859 5.7173 5.7173 5.7284 5.7284 5.7318 5.7318 6.2883 6.2883 k = 0.0294 0.0294 0.0294 ( 5707 PWs) bands (ev): -20.4704 -20.4704 -17.7835 -17.7835 -17.5277 -17.5277 -17.5277 -17.5277 -15.5897 -15.5897 -15.5895 -15.5895 -15.5892 -15.5892 -7.5190 -7.5190 -7.5189 -7.5189 -7.1945 -7.1945 -5.2960 -5.2960 -4.4915 -4.4915 -4.4898 -4.4898 -3.1525 -3.1525 -3.1524 -3.1524 -2.5084 -2.5084 -2.4583 -2.4583 -2.4550 -2.4550 -2.4221 -2.4221 -2.4072 -2.4072 -2.4037 -2.4037 -1.8995 -1.8995 -1.8612 -1.8612 -1.8510 -1.8510 -0.7868 -0.7868 -0.7451 -0.7451 -0.7365 -0.7365 1.3544 1.3544 1.3610 1.3610 1.3631 1.3631 1.7779 1.7779 1.7803 1.7803 1.8019 1.8019 3.5331 3.5331 5.0409 5.0409 5.0694 5.0694 5.0699 5.0699 5.6803 5.6803 5.6822 5.6822 5.7147 5.7147 5.7370 5.7370 5.7404 5.7404 6.2985 6.2985 k = 0.0392 0.0392 0.0392 ( 5695 PWs) bands (ev): -20.4702 -20.4702 -17.7823 -17.7823 -17.5279 -17.5279 -17.5278 -17.5278 -15.5906 -15.5906 -15.5905 -15.5905 -15.5898 -15.5898 -7.5154 -7.5154 -7.5151 -7.5151 -7.1935 -7.1935 -5.2939 -5.2939 -4.4899 -4.4899 -4.4869 -4.4869 -3.1543 -3.1543 -3.1542 -3.1542 -2.5091 -2.5091 -2.4704 -2.4704 -2.4667 -2.4667 -2.4301 -2.4301 -2.4075 -2.4075 -2.4046 -2.4046 -1.8986 -1.8986 -1.8564 -1.8564 -1.8411 -1.8411 -0.7930 -0.7930 -0.7505 -0.7505 -0.7371 -0.7371 1.3565 1.3565 1.3633 1.3633 1.3666 1.3666 1.7748 1.7748 1.7794 1.7794 1.8002 1.8002 3.5530 3.5530 5.0430 5.0430 5.0711 5.0711 5.0718 5.0718 5.6757 5.6757 5.6781 5.6781 5.7104 5.7104 5.7482 5.7482 5.7514 5.7514 6.3125 6.3125 k = 0.0490 0.0490 0.0490 ( 5680 PWs) bands (ev): -20.4700 -20.4700 -17.7807 -17.7807 -17.5281 -17.5281 -17.5281 -17.5281 -15.5918 -15.5918 -15.5917 -15.5917 -15.5906 -15.5906 -7.5107 -7.5107 -7.5103 -7.5103 -7.1921 -7.1921 -5.2912 -5.2912 -4.4879 -4.4879 -4.4832 -4.4832 -3.1565 -3.1565 -3.1564 -3.1564 -2.5103 -2.5103 -2.4832 -2.4832 -2.4797 -2.4797 -2.4408 -2.4408 -2.4096 -2.4096 -2.4075 -2.4075 -1.9001 -1.9001 -1.8479 -1.8479 -1.8286 -1.8286 -0.8026 -0.8026 -0.7551 -0.7551 -0.7378 -0.7378 1.3585 1.3585 1.3666 1.3666 1.3710 1.3710 1.7707 1.7707 1.7782 1.7782 1.7981 1.7981 3.5782 3.5782 5.0458 5.0458 5.0733 5.0733 5.0744 5.0744 5.6711 5.6711 5.6739 5.6739 5.7048 5.7048 5.7615 5.7615 5.7643 5.7643 6.3302 6.3302 k = 0.0588 0.0588 0.0588 ( 5674 PWs) bands (ev): -20.4698 -20.4698 -17.7788 -17.7788 -17.5284 -17.5284 -17.5284 -17.5284 -15.5933 -15.5933 -15.5932 -15.5932 -15.5916 -15.5916 -7.5050 -7.5050 -7.5044 -7.5044 -7.1905 -7.1905 -5.2880 -5.2880 -4.4855 -4.4855 -4.4787 -4.4787 -3.1593 -3.1593 -3.1592 -3.1592 -2.5130 -2.5130 -2.4954 -2.4954 -2.4936 -2.4936 -2.4539 -2.4539 -2.4138 -2.4138 -2.4125 -2.4125 -1.9040 -1.9040 -1.8357 -1.8357 -1.8137 -1.8137 -0.8161 -0.8161 -0.7584 -0.7584 -0.7385 -0.7385 1.3603 1.3603 1.3710 1.3710 1.3763 1.3763 1.7655 1.7655 1.7766 1.7766 1.7957 1.7957 3.6087 3.6087 5.0492 5.0492 5.0763 5.0763 5.0777 5.0777 5.6665 5.6665 5.6695 5.6695 5.6982 5.6982 5.7766 5.7766 5.7792 5.7792 6.3515 6.3515 k = 0.0686 0.0686 0.0686 ( 5680 PWs) bands (ev): -20.4695 -20.4695 -17.7765 -17.7765 -17.5287 -17.5287 -17.5287 -17.5287 -15.5950 -15.5950 -15.5949 -15.5949 -15.5927 -15.5927 -7.4983 -7.4983 -7.4975 -7.4975 -7.1884 -7.1884 -5.2843 -5.2843 -4.4827 -4.4827 -4.4736 -4.4736 -3.1626 -3.1626 -3.1626 -3.1626 -2.5205 -2.5205 -2.5082 -2.5082 -2.5039 -2.5039 -2.4692 -2.4692 -2.4202 -2.4202 -2.4197 -2.4197 -1.9100 -1.9100 -1.8205 -1.8205 -1.7966 -1.7966 -0.8330 -0.8330 -0.7605 -0.7605 -0.7393 -0.7393 1.3618 1.3618 1.3764 1.3764 1.3823 1.3823 1.7590 1.7590 1.7747 1.7747 1.7929 1.7929 3.6441 3.6441 5.0535 5.0535 5.0800 5.0800 5.0816 5.0816 5.6618 5.6618 5.6649 5.6649 5.6906 5.6906 5.7935 5.7935 5.7959 5.7959 6.3759 6.3759 k = 0.0784 0.0784 0.0784 ( 5680 PWs) bands (ev): -20.4692 -20.4692 -17.7739 -17.7739 -17.5291 -17.5291 -17.5290 -17.5290 -15.5970 -15.5970 -15.5969 -15.5969 -15.5941 -15.5941 -7.4906 -7.4906 -7.4895 -7.4895 -7.1860 -7.1860 -5.2802 -5.2802 -4.4796 -4.4796 -4.4678 -4.4678 -3.1664 -3.1664 -3.1664 -3.1664 -2.5334 -2.5334 -2.5234 -2.5234 -2.5080 -2.5080 -2.4862 -2.4862 -2.4289 -2.4289 -2.4286 -2.4286 -1.9177 -1.9177 -1.8028 -1.8028 -1.7775 -1.7775 -0.8525 -0.8525 -0.7616 -0.7616 -0.7401 -0.7401 1.3632 1.3632 1.3825 1.3825 1.3891 1.3891 1.7513 1.7513 1.7725 1.7725 1.7899 1.7899 3.6842 3.6842 5.0585 5.0585 5.0846 5.0846 5.0863 5.0863 5.6571 5.6571 5.6603 5.6603 5.6824 5.6824 5.8121 5.8121 5.8144 5.8144 6.4035 6.4035 k = 0.0882 0.0882 0.0882 ( 5677 PWs) bands (ev): -20.4688 -20.4688 -17.7709 -17.7709 -17.5295 -17.5295 -17.5295 -17.5295 -15.5992 -15.5992 -15.5991 -15.5991 -15.5956 -15.5956 -7.4819 -7.4819 -7.4805 -7.4805 -7.1832 -7.1832 -5.2757 -5.2757 -4.4763 -4.4763 -4.4614 -4.4614 -3.1707 -3.1707 -3.1706 -3.1706 -2.5484 -2.5484 -2.5389 -2.5389 -2.5139 -2.5139 -2.5021 -2.5021 -2.4401 -2.4401 -2.4388 -2.4388 -1.9271 -1.9271 -1.7828 -1.7828 -1.7566 -1.7566 -0.8739 -0.8739 -0.7621 -0.7621 -0.7408 -0.7408 1.3642 1.3642 1.3893 1.3893 1.3964 1.3964 1.7422 1.7422 1.7699 1.7699 1.7866 1.7866 3.7287 3.7287 5.0645 5.0645 5.0901 5.0901 5.0917 5.0917 5.6523 5.6523 5.6554 5.6554 5.6735 5.6735 5.8324 5.8324 5.8346 5.8346 6.4339 6.4339 k = 0.0980 0.0980 0.0980 ( 5683 PWs) bands (ev): -20.4684 -20.4684 -17.7676 -17.7676 -17.5300 -17.5300 -17.5299 -17.5299 -15.6017 -15.6017 -15.6016 -15.6016 -15.5973 -15.5973 -7.4721 -7.4721 -7.4705 -7.4705 -7.1800 -7.1800 -5.2708 -5.2708 -4.4728 -4.4728 -4.4544 -4.4544 -3.1755 -3.1755 -3.1754 -3.1754 -2.5644 -2.5644 -2.5547 -2.5547 -2.5315 -2.5315 -2.5078 -2.5078 -2.4530 -2.4530 -2.4507 -2.4507 -1.9380 -1.9380 -1.7611 -1.7611 -1.7342 -1.7342 -0.8967 -0.8967 -0.7620 -0.7620 -0.7413 -0.7413 1.3648 1.3648 1.3966 1.3966 1.4043 1.4043 1.7319 1.7319 1.7669 1.7669 1.7830 1.7830 3.7773 3.7773 5.0715 5.0715 5.0967 5.0967 5.0979 5.0979 5.6473 5.6473 5.6504 5.6504 5.6642 5.6642 5.8542 5.8542 5.8563 5.8563 6.4669 6.4669 k = 0.1078 0.1078 0.1078 ( 5689 PWs) bands (ev): -20.4680 -20.4680 -17.7640 -17.7640 -17.5304 -17.5304 -17.5304 -17.5304 -15.6044 -15.6044 -15.6043 -15.6043 -15.5992 -15.5992 -7.4614 -7.4614 -7.4594 -7.4594 -7.1763 -7.1763 -5.2657 -5.2657 -4.4692 -4.4692 -4.4470 -4.4470 -3.1807 -3.1807 -3.1807 -3.1807 -2.5809 -2.5809 -2.5707 -2.5707 -2.5546 -2.5546 -2.5099 -2.5099 -2.4674 -2.4674 -2.4640 -2.4640 -1.9504 -1.9504 -1.7378 -1.7378 -1.7104 -1.7104 -0.9203 -0.9203 -0.7613 -0.7613 -0.7417 -0.7417 1.3649 1.3649 1.4043 1.4043 1.4125 1.4125 1.7204 1.7204 1.7635 1.7635 1.7789 1.7789 3.8296 3.8296 5.0795 5.0795 5.1046 5.1046 5.1050 5.1050 5.6422 5.6422 5.6453 5.6453 5.6546 5.6546 5.8774 5.8774 5.8795 5.8795 6.5023 6.5023 k = 0.1176 0.1176 0.1176 ( 5695 PWs) bands (ev): -20.4676 -20.4676 -17.7601 -17.7601 -17.5310 -17.5310 -17.5309 -17.5309 -15.6073 -15.6073 -15.6072 -15.6072 -15.6013 -15.6013 -7.4497 -7.4497 -7.4474 -7.4474 -7.1722 -7.1722 -5.2603 -5.2603 -4.4655 -4.4655 -4.4393 -4.4393 -3.1864 -3.1864 -3.1863 -3.1863 -2.5980 -2.5980 -2.5870 -2.5870 -2.5799 -2.5799 -2.5119 -2.5119 -2.4831 -2.4831 -2.4781 -2.4781 -1.9643 -1.9643 -1.7132 -1.7132 -1.6854 -1.6854 -0.9442 -0.9442 -0.7602 -0.7602 -0.7417 -0.7417 1.3641 1.3641 1.4123 1.4123 1.4211 1.4211 1.7078 1.7078 1.7597 1.7597 1.7745 1.7745 3.8852 3.8852 5.0884 5.0884 5.1129 5.1129 5.1139 5.1139 5.6369 5.6369 5.6401 5.6401 5.6449 5.6449 5.9020 5.9020 5.9041 5.9041 6.5400 6.5400 k = 0.1275 0.1275 0.1275 ( 5707 PWs) bands (ev): -20.4671 -20.4671 -17.7558 -17.7558 -17.5315 -17.5315 -17.5314 -17.5314 -15.6105 -15.6105 -15.6103 -15.6103 -15.6036 -15.6036 -7.4370 -7.4370 -7.4343 -7.4343 -7.1676 -7.1676 -5.2548 -5.2548 -4.4619 -4.4619 -4.4313 -4.4313 -3.1925 -3.1925 -3.1924 -3.1924 -2.6162 -2.6162 -2.6064 -2.6064 -2.6035 -2.6035 -2.5148 -2.5148 -2.4998 -2.4998 -2.4920 -2.4920 -1.9799 -1.9799 -1.6875 -1.6875 -1.6594 -1.6594 -0.9679 -0.9679 -0.7586 -0.7586 -0.7414 -0.7414 1.3625 1.3625 1.4205 1.4205 1.4298 1.4298 1.6940 1.6940 1.7553 1.7553 1.7697 1.7697 3.9438 3.9438 5.0984 5.0984 5.1217 5.1217 5.1247 5.1247 5.6308 5.6308 5.6348 5.6348 5.6359 5.6359 5.9278 5.9278 5.9300 5.9300 6.5796 6.5796 k = 0.1373 0.1373 0.1373 ( 5719 PWs) bands (ev): -20.4666 -20.4666 -17.7513 -17.7513 -17.5321 -17.5321 -17.5320 -17.5320 -15.6138 -15.6138 -15.6137 -15.6137 -15.6061 -15.6061 -7.4233 -7.4233 -7.4203 -7.4203 -7.1624 -7.1624 -5.2493 -5.2493 -4.4583 -4.4583 -4.4232 -4.4232 -3.1989 -3.1989 -3.1989 -3.1989 -2.6388 -2.6388 -2.6304 -2.6304 -2.6203 -2.6203 -2.5216 -2.5216 -2.5172 -2.5172 -2.5028 -2.5028 -1.9970 -1.9970 -1.6608 -1.6608 -1.6325 -1.6325 -0.9911 -0.9911 -0.7564 -0.7564 -0.7406 -0.7406 1.3598 1.3598 1.4287 1.4287 1.4385 1.4385 1.6794 1.6794 1.7505 1.7505 1.7644 1.7644 4.0048 4.0048 5.1093 5.1093 5.1313 5.1313 5.1373 5.1373 5.6225 5.6225 5.6289 5.6289 5.6295 5.6295 5.9547 5.9547 5.9569 5.9569 6.6210 6.6210 k = 0.1471 0.1471 0.1471 ( 5719 PWs) bands (ev): -20.4660 -20.4660 -17.7464 -17.7464 -17.5327 -17.5327 -17.5326 -17.5326 -15.6173 -15.6173 -15.6172 -15.6172 -15.6088 -15.6088 -7.4087 -7.4087 -7.4053 -7.4053 -7.1567 -7.1567 -5.2437 -5.2437 -4.4549 -4.4549 -4.4151 -4.4151 -3.2058 -3.2058 -3.2057 -3.2057 -2.6677 -2.6677 -2.6502 -2.6502 -2.6374 -2.6374 -2.5349 -2.5349 -2.5342 -2.5342 -2.5079 -2.5079 -2.0157 -2.0157 -1.6333 -1.6333 -1.6050 -1.6050 -1.0134 -1.0134 -0.7537 -0.7537 -0.7393 -0.7393 1.3558 1.3558 1.4368 1.4368 1.4472 1.4472 1.6640 1.6640 1.7452 1.7452 1.7586 1.7586 4.0678 4.0678 5.1210 5.1210 5.1419 5.1419 5.1520 5.1520 5.6130 5.6130 5.6234 5.6234 5.6241 5.6241 5.9825 5.9825 5.9848 5.9848 6.6640 6.6640 k = 0.1569 0.1569 0.1569 ( 5710 PWs) bands (ev): -20.4655 -20.4655 -17.7413 -17.7413 -17.5334 -17.5334 -17.5332 -17.5332 -15.6210 -15.6210 -15.6209 -15.6209 -15.6117 -15.6117 -7.3932 -7.3932 -7.3894 -7.3894 -7.1505 -7.1505 -5.2383 -5.2383 -4.4518 -4.4518 -4.4070 -4.4070 -3.2129 -3.2129 -3.2128 -3.2128 -2.6985 -2.6985 -2.6697 -2.6697 -2.6552 -2.6552 -2.5525 -2.5525 -2.5495 -2.5495 -2.5102 -2.5102 -2.0361 -2.0361 -1.6052 -1.6052 -1.5769 -1.5769 -1.0345 -1.0345 -0.7503 -0.7503 -0.7374 -0.7374 1.3503 1.3503 1.4448 1.4448 1.4557 1.4557 1.6480 1.6480 1.7394 1.7394 1.7523 1.7523 4.1324 4.1324 5.1335 5.1335 5.1533 5.1533 5.1690 5.1690 5.6033 5.6033 5.6183 5.6183 5.6189 5.6189 6.0112 6.0112 6.0135 6.0135 6.7084 6.7084 k = 0.1667 0.1667 0.1667 ( 5731 PWs) bands (ev): -20.4649 -20.4649 -17.7358 -17.7358 -17.5340 -17.5340 -17.5339 -17.5339 -15.6249 -15.6249 -15.6248 -15.6248 -15.6148 -15.6148 -7.3768 -7.3768 -7.3726 -7.3726 -7.1436 -7.1436 -5.2330 -5.2330 -4.4491 -4.4491 -4.3993 -4.3993 -3.2204 -3.2204 -3.2203 -3.2203 -2.7304 -2.7304 -2.6900 -2.6900 -2.6736 -2.6736 -2.5697 -2.5697 -2.5654 -2.5654 -2.5117 -2.5117 -2.0580 -2.0580 -1.5766 -1.5766 -1.5484 -1.5484 -1.0540 -1.0540 -0.7462 -0.7462 -0.7348 -0.7348 1.3430 1.3430 1.4525 1.4525 1.4639 1.4639 1.6315 1.6315 1.7330 1.7330 1.7455 1.7455 4.1981 4.1981 5.1467 5.1467 5.1656 5.1656 5.1885 5.1885 5.5939 5.5939 5.6135 5.6135 5.6138 5.6138 6.0405 6.0405 6.0429 6.0429 6.7541 6.7541 k = 0.1765 0.1765 0.1765 ( 5704 PWs) bands (ev): -20.4643 -20.4643 -17.7301 -17.7301 -17.5347 -17.5347 -17.5345 -17.5345 -15.6289 -15.6289 -15.6288 -15.6288 -15.6181 -15.6181 -7.3595 -7.3595 -7.3548 -7.3548 -7.1361 -7.1361 -5.2280 -5.2280 -4.4469 -4.4469 -4.3919 -4.3919 -3.2280 -3.2280 -3.2279 -3.2279 -2.7630 -2.7630 -2.7111 -2.7111 -2.6929 -2.6929 -2.5861 -2.5861 -2.5809 -2.5809 -2.5126 -2.5126 -2.0816 -2.0816 -1.5475 -1.5475 -1.5195 -1.5195 -1.0717 -1.0717 -0.7413 -0.7413 -0.7315 -0.7315 1.3339 1.3339 1.4598 1.4598 1.4717 1.4717 1.6149 1.6149 1.7260 1.7260 1.7381 1.7381 4.2644 4.2644 5.1606 5.1606 5.1787 5.1787 5.2108 5.2108 5.5848 5.5848 5.6089 5.6089 5.6089 5.6089 6.0703 6.0703 6.0729 6.0729 6.8009 6.8009 k = 0.1863 0.1863 0.1863 ( 5707 PWs) bands (ev): -20.4637 -20.4637 -17.7242 -17.7242 -17.5353 -17.5353 -17.5352 -17.5352 -15.6331 -15.6331 -15.6330 -15.6330 -15.6216 -15.6216 -7.3413 -7.3413 -7.3363 -7.3363 -7.1279 -7.1279 -5.2234 -5.2234 -4.4452 -4.4452 -4.3852 -4.3852 -3.2359 -3.2359 -3.2359 -3.2359 -2.7959 -2.7959 -2.7333 -2.7333 -2.7131 -2.7131 -2.6016 -2.6016 -2.5958 -2.5958 -2.5134 -2.5134 -2.1066 -2.1066 -1.5183 -1.5183 -1.4906 -1.4906 -1.0876 -1.0876 -0.7357 -0.7357 -0.7274 -0.7274 1.3226 1.3226 1.4665 1.4665 1.4789 1.4789 1.5981 1.5981 1.7186 1.7186 1.7302 1.7302 4.3307 4.3307 5.1752 5.1752 5.1926 5.1926 5.2359 5.2359 5.5762 5.5762 5.6041 5.6041 5.6046 5.6046 6.1005 6.1005 6.1032 6.1032 6.8485 6.8485 k = 0.1961 0.1961 0.1961 ( 5689 PWs) bands (ev): -20.4631 -20.4631 -17.7180 -17.7180 -17.5360 -17.5360 -17.5358 -17.5358 -15.6374 -15.6374 -15.6373 -15.6373 -15.6252 -15.6252 -7.3224 -7.3224 -7.3169 -7.3169 -7.1191 -7.1191 -5.2192 -5.2192 -4.4443 -4.4443 -4.3792 -4.3792 -3.2440 -3.2440 -3.2439 -3.2439 -2.8290 -2.8290 -2.7563 -2.7563 -2.7341 -2.7341 -2.6160 -2.6160 -2.6097 -2.6097 -2.5141 -2.5141 -2.1331 -2.1331 -1.4888 -1.4888 -1.4616 -1.4616 -1.1014 -1.1014 -0.7292 -0.7292 -0.7223 -0.7223 1.3092 1.3092 1.4727 1.4727 1.4855 1.4855 1.5814 1.5814 1.7105 1.7105 1.7218 1.7218 4.3965 4.3965 5.1904 5.1904 5.2072 5.2072 5.2641 5.2641 5.5682 5.5682 5.5997 5.5997 5.6006 5.6006 6.1310 6.1310 6.1338 6.1338 6.8968 6.8968 k = 0.2059 0.2059 0.2059 ( 5689 PWs) bands (ev): -20.4625 -20.4625 -17.7116 -17.7116 -17.5367 -17.5367 -17.5365 -17.5365 -15.6418 -15.6418 -15.6417 -15.6417 -15.6291 -15.6291 -7.3026 -7.3026 -7.2967 -7.2967 -7.1096 -7.1096 -5.2155 -5.2155 -4.4441 -4.4441 -4.3742 -4.3742 -3.2523 -3.2523 -3.2522 -3.2522 -2.8619 -2.8619 -2.7802 -2.7802 -2.7559 -2.7559 -2.6291 -2.6291 -2.6228 -2.6228 -2.5147 -2.5147 -2.1608 -2.1608 -1.4594 -1.4594 -1.4327 -1.4327 -1.1131 -1.1131 -0.7218 -0.7218 -0.7163 -0.7163 1.2934 1.2934 1.4781 1.4781 1.4913 1.4913 1.5649 1.5649 1.7020 1.7020 1.7129 1.7129 4.4612 4.4612 5.2062 5.2062 5.2225 5.2225 5.2956 5.2956 5.5609 5.5609 5.5956 5.5956 5.5970 5.5970 6.1615 6.1615 6.1646 6.1646 6.9457 6.9457 k = 0.2157 0.2157 0.2157 ( 5701 PWs) bands (ev): -20.4619 -20.4619 -17.7050 -17.7050 -17.5374 -17.5374 -17.5371 -17.5371 -15.6463 -15.6463 -15.6462 -15.6462 -15.6331 -15.6331 -7.2821 -7.2821 -7.2758 -7.2758 -7.0994 -7.0994 -5.2125 -5.2125 -4.4447 -4.4447 -4.3704 -4.3704 -3.2607 -3.2607 -3.2607 -3.2607 -2.8943 -2.8943 -2.8047 -2.8047 -2.7782 -2.7782 -2.6412 -2.6412 -2.6349 -2.6349 -2.5152 -2.5152 -2.1896 -2.1896 -1.4301 -1.4301 -1.4040 -1.4040 -1.1226 -1.1226 -0.7135 -0.7135 -0.7092 -0.7092 1.2753 1.2753 1.4826 1.4826 1.4962 1.4962 1.5487 1.5487 1.6930 1.6930 1.7035 1.7035 4.5243 4.5243 5.2225 5.2225 5.2384 5.2384 5.3305 5.3305 5.5543 5.5543 5.5919 5.5919 5.5937 5.5937 6.1920 6.1920 6.1953 6.1953 6.9949 6.9949 k = 0.2255 0.2255 0.2255 ( 5692 PWs) bands (ev): -20.4613 -20.4613 -17.6982 -17.6982 -17.5380 -17.5380 -17.5378 -17.5378 -15.6509 -15.6509 -15.6508 -15.6508 -15.6373 -15.6373 -7.2608 -7.2608 -7.2541 -7.2541 -7.0886 -7.0886 -5.2101 -5.2101 -4.4464 -4.4464 -4.3679 -4.3679 -3.2692 -3.2692 -3.2691 -3.2691 -2.9261 -2.9261 -2.8297 -2.8297 -2.8008 -2.8008 -2.6520 -2.6520 -2.6461 -2.6461 -2.5155 -2.5155 -2.2194 -2.2194 -1.4010 -1.4010 -1.3756 -1.3756 -1.1301 -1.1301 -0.7042 -0.7042 -0.7011 -0.7011 1.2550 1.2550 1.4862 1.4862 1.5001 1.5001 1.5328 1.5328 1.6835 1.6835 1.6936 1.6936 4.5853 4.5853 5.2394 5.2394 5.2549 5.2549 5.3691 5.3691 5.5487 5.5487 5.5886 5.5886 5.5909 5.5909 6.2223 6.2223 6.2258 6.2258 7.0443 7.0443 k = 0.2353 0.2353 0.2353 ( 5692 PWs) bands (ev): -20.4607 -20.4607 -17.6912 -17.6912 -17.5387 -17.5387 -17.5384 -17.5384 -15.6555 -15.6555 -15.6554 -15.6554 -15.6416 -15.6416 -7.2389 -7.2389 -7.2318 -7.2318 -7.0770 -7.0770 -5.2086 -5.2086 -4.4491 -4.4491 -4.3669 -4.3669 -3.2777 -3.2777 -3.2776 -3.2776 -2.9569 -2.9569 -2.8549 -2.8549 -2.8236 -2.8236 -2.6619 -2.6619 -2.6563 -2.6563 -2.5158 -2.5158 -2.2499 -2.2499 -1.3723 -1.3723 -1.3477 -1.3477 -1.1355 -1.1355 -0.6939 -0.6939 -0.6918 -0.6918 1.2324 1.2324 1.4886 1.4886 1.5028 1.5028 1.5173 1.5173 1.6737 1.6737 1.6834 1.6834 4.6437 4.6437 5.2567 5.2567 5.2719 5.2719 5.4113 5.4113 5.5440 5.5440 5.5858 5.5858 5.5886 5.5886 6.2524 6.2524 6.2561 6.2561 7.0938 7.0938 k = 0.2451 0.2451 0.2451 ( 5686 PWs) bands (ev): -20.4602 -20.4602 -17.6841 -17.6841 -17.5393 -17.5393 -17.5391 -17.5391 -15.6602 -15.6602 -15.6601 -15.6601 -15.6461 -15.6461 -7.2163 -7.2163 -7.2089 -7.2089 -7.0647 -7.0647 -5.2079 -5.2079 -4.4529 -4.4529 -4.3677 -4.3677 -3.2863 -3.2863 -3.2861 -3.2861 -2.9864 -2.9864 -2.8801 -2.8801 -2.8461 -2.8461 -2.6708 -2.6708 -2.6656 -2.6656 -2.5160 -2.5160 -2.2809 -2.2809 -1.3440 -1.3440 -1.3203 -1.3203 -1.1389 -1.1389 -0.6825 -0.6825 -0.6813 -0.6813 1.2078 1.2078 1.4897 1.4897 1.5022 1.5022 1.5042 1.5042 1.6636 1.6636 1.6728 1.6728 4.6992 4.6992 5.2745 5.2745 5.2893 5.2893 5.4570 5.4570 5.5405 5.5405 5.5835 5.5835 5.5869 5.5869 6.2820 6.2820 6.2860 6.2860 7.1431 7.1431 k = 0.2549 0.2549 0.2549 ( 5692 PWs) bands (ev): -20.4596 -20.4596 -17.6769 -17.6769 -17.5400 -17.5400 -17.5397 -17.5397 -15.6649 -15.6649 -15.6648 -15.6648 -15.6508 -15.6508 -7.1932 -7.1932 -7.1855 -7.1855 -7.0517 -7.0517 -5.2082 -5.2082 -4.4579 -4.4579 -4.3704 -4.3704 -3.2948 -3.2948 -3.2945 -3.2945 -3.0146 -3.0146 -2.9050 -2.9050 -2.8684 -2.8684 -2.6790 -2.6790 -2.6742 -2.6742 -2.5161 -2.5161 -2.3123 -2.3123 -1.3162 -1.3162 -1.2935 -1.2935 -1.1404 -1.1404 -0.6700 -0.6700 -0.6696 -0.6696 1.1814 1.1814 1.4853 1.4853 1.4914 1.4914 1.5042 1.5042 1.6534 1.6534 1.6621 1.6621 4.7514 4.7514 5.2925 5.2925 5.3070 5.3070 5.5053 5.5053 5.5390 5.5390 5.5818 5.5818 5.5858 5.5858 6.3111 6.3111 6.3154 6.3154 7.1921 7.1921 k = 0.2647 0.2647 0.2647 ( 5704 PWs) bands (ev): -20.4590 -20.4590 -17.6696 -17.6696 -17.5406 -17.5406 -17.5403 -17.5403 -15.6697 -15.6697 -15.6695 -15.6695 -15.6555 -15.6555 -7.1695 -7.1695 -7.1616 -7.1616 -7.0381 -7.0381 -5.2094 -5.2094 -4.4641 -4.4641 -4.3752 -4.3752 -3.3034 -3.3034 -3.3029 -3.3029 -3.0412 -3.0412 -2.9295 -2.9295 -2.8900 -2.8900 -2.6863 -2.6863 -2.6821 -2.6821 -2.5161 -2.5161 -2.3438 -2.3438 -1.2891 -1.2891 -1.2674 -1.2674 -1.1401 -1.1401 -0.6566 -0.6566 -0.6564 -0.6564 1.1534 1.1534 1.4711 1.4711 1.4890 1.4890 1.5026 1.5026 1.6432 1.6432 1.6513 1.6513 4.8002 4.8002 5.3108 5.3108 5.3250 5.3250 5.5328 5.5328 5.5620 5.5620 5.5806 5.5806 5.5862 5.5862 6.3395 6.3395 6.3441 6.3441 7.2407 7.2407 k = 0.2745 0.2745 0.2745 ( 5704 PWs) bands (ev): -20.4585 -20.4585 -17.6623 -17.6623 -17.5412 -17.5412 -17.5409 -17.5409 -15.6744 -15.6744 -15.6742 -15.6742 -15.6603 -15.6603 -7.1454 -7.1454 -7.1372 -7.1372 -7.0238 -7.0238 -5.2117 -5.2117 -4.4716 -4.4716 -4.3820 -4.3820 -3.3118 -3.3118 -3.3112 -3.3112 -3.0660 -3.0660 -2.9534 -2.9534 -2.9110 -2.9110 -2.6930 -2.6930 -2.6893 -2.6893 -2.5159 -2.5159 -2.3753 -2.3753 -1.2627 -1.2627 -1.2422 -1.2422 -1.1381 -1.1381 -0.6424 -0.6424 -0.6417 -0.6417 1.1240 1.1240 1.4562 1.4562 1.4858 1.4858 1.4992 1.4992 1.6332 1.6332 1.6406 1.6406 4.8456 4.8456 5.3292 5.3292 5.3431 5.3431 5.5338 5.5338 5.5801 5.5801 5.5833 5.5833 5.6195 5.6195 6.3672 6.3672 6.3721 6.3721 7.2886 7.2886 k = 0.2843 0.2843 0.2843 ( 5713 PWs) bands (ev): -20.4579 -20.4579 -17.6549 -17.6549 -17.5418 -17.5418 -17.5415 -17.5415 -15.6791 -15.6791 -15.6789 -15.6789 -15.6652 -15.6652 -7.1209 -7.1209 -7.1125 -7.1125 -7.0090 -7.0090 -5.2150 -5.2150 -4.4803 -4.4803 -4.3911 -4.3911 -3.3201 -3.3201 -3.3194 -3.3194 -3.0891 -3.0891 -2.9762 -2.9762 -2.9311 -2.9311 -2.6990 -2.6990 -2.6959 -2.6959 -2.5158 -2.5158 -2.4065 -2.4065 -1.2372 -1.2372 -1.2178 -1.2178 -1.1344 -1.1344 -0.6269 -0.6269 -0.6258 -0.6258 1.0934 1.0934 1.4412 1.4412 1.4810 1.4810 1.4940 1.4940 1.6235 1.6235 1.6302 1.6302 4.8875 4.8875 5.3477 5.3477 5.3613 5.3613 5.5346 5.5346 5.5801 5.5801 5.5844 5.5844 5.6776 5.6776 6.3940 6.3940 6.3992 6.3992 7.3358 7.3358 k = 0.2941 0.2941 0.2941 ( 5740 PWs) bands (ev): -20.4574 -20.4574 -17.6475 -17.6475 -17.5424 -17.5424 -17.5421 -17.5421 -15.6837 -15.6837 -15.6836 -15.6836 -15.6702 -15.6702 -7.0962 -7.0962 -7.0876 -7.0876 -6.9935 -6.9935 -5.2195 -5.2195 -4.4902 -4.4902 -4.4023 -4.4023 -3.3283 -3.3283 -3.3275 -3.3275 -3.1105 -3.1105 -2.9979 -2.9979 -2.9502 -2.9502 -2.7045 -2.7045 -2.7019 -2.7019 -2.5156 -2.5156 -2.4373 -2.4373 -1.2127 -1.2127 -1.1944 -1.1944 -1.1293 -1.1293 -0.6103 -0.6103 -0.6090 -0.6090 1.0618 1.0618 1.4261 1.4261 1.4744 1.4744 1.4868 1.4868 1.6144 1.6144 1.6202 1.6202 4.9262 4.9262 5.3662 5.3662 5.3795 5.3795 5.5363 5.5363 5.5807 5.5807 5.5855 5.5855 5.7387 5.7387 6.4198 6.4198 6.4254 6.4254 7.3820 7.3820 k = 0.3039 0.3039 0.3039 ( 5740 PWs) bands (ev): -20.4569 -20.4569 -17.6401 -17.6401 -17.5429 -17.5429 -17.5426 -17.5426 -15.6883 -15.6883 -15.6882 -15.6882 -15.6752 -15.6752 -7.0711 -7.0711 -7.0625 -7.0625 -6.9775 -6.9775 -5.2250 -5.2250 -4.5014 -4.5014 -4.4157 -4.4157 -3.3363 -3.3363 -3.3353 -3.3353 -3.1301 -3.1301 -3.0182 -3.0182 -2.9682 -2.9682 -2.7094 -2.7094 -2.7073 -2.7073 -2.5154 -2.5154 -2.4673 -2.4673 -1.1892 -1.1892 -1.1720 -1.1720 -1.1227 -1.1227 -0.5925 -0.5925 -0.5911 -0.5911 1.0295 1.0295 1.4111 1.4111 1.4660 1.4660 1.4776 1.4776 1.6059 1.6059 1.6107 1.6107 4.9617 4.9617 5.3845 5.3845 5.3976 5.3976 5.5391 5.5391 5.5819 5.5819 5.5871 5.5871 5.8017 5.8017 6.4447 6.4447 6.4507 6.4507 7.4271 7.4271 k = 0.3137 0.3137 0.3137 ( 5734 PWs) bands (ev): -20.4564 -20.4564 -17.6327 -17.6327 -17.5435 -17.5435 -17.5431 -17.5431 -15.6928 -15.6928 -15.6927 -15.6927 -15.6803 -15.6803 -7.0460 -7.0460 -7.0373 -7.0373 -6.9611 -6.9611 -5.2316 -5.2316 -4.5137 -4.5137 -4.4311 -4.4311 -3.3440 -3.3440 -3.3430 -3.3430 -3.1483 -3.1483 -3.0368 -3.0368 -2.9851 -2.9851 -2.7137 -2.7137 -2.7122 -2.7122 -2.5162 -2.5162 -2.4955 -2.4955 -1.1669 -1.1669 -1.1506 -1.1506 -1.1148 -1.1148 -0.5737 -0.5737 -0.5722 -0.5722 0.9967 0.9967 1.3960 1.3960 1.4557 1.4557 1.4665 1.4665 1.5980 1.5980 1.6018 1.6018 4.9943 4.9943 5.4027 5.4027 5.4154 5.4154 5.5428 5.5428 5.5837 5.5837 5.5891 5.5891 5.8660 5.8660 6.4684 6.4684 6.4749 6.4749 7.4709 7.4709 k = 0.3235 0.3235 0.3235 ( 5728 PWs) bands (ev): -20.4559 -20.4559 -17.6255 -17.6255 -17.5440 -17.5440 -17.5436 -17.5436 -15.6972 -15.6972 -15.6970 -15.6970 -15.6853 -15.6853 -7.0208 -7.0208 -7.0121 -7.0121 -6.9443 -6.9443 -5.2393 -5.2393 -4.5270 -4.5270 -4.4483 -4.4483 -3.3514 -3.3514 -3.3504 -3.3504 -3.1651 -3.1651 -3.0535 -3.0535 -3.0008 -3.0008 -2.7176 -2.7176 -2.7165 -2.7165 -2.5293 -2.5293 -2.5106 -2.5106 -1.1459 -1.1459 -1.1303 -1.1303 -1.1057 -1.1057 -0.5539 -0.5539 -0.5525 -0.5525 0.9635 0.9635 1.3810 1.3810 1.4437 1.4437 1.4536 1.4536 1.5907 1.5907 1.5936 1.5936 5.0242 5.0242 5.4205 5.4205 5.4329 5.4329 5.5475 5.5475 5.5860 5.5860 5.5917 5.5917 5.9309 5.9309 6.4911 6.4911 6.4980 6.4980 7.5134 7.5134 k = 0.3333 0.3333 0.3333 ( 5728 PWs) bands (ev): -20.4555 -20.4555 -17.6184 -17.6184 -17.5444 -17.5444 -17.5440 -17.5440 -15.7015 -15.7015 -15.7013 -15.7013 -15.6902 -15.6902 -6.9957 -6.9957 -6.9871 -6.9871 -6.9272 -6.9272 -5.2480 -5.2480 -4.5413 -4.5413 -4.4672 -4.4672 -3.3587 -3.3587 -3.3576 -3.3576 -3.1808 -3.1808 -3.0681 -3.0681 -3.0152 -3.0152 -2.7211 -2.7211 -2.7204 -2.7204 -2.5555 -2.5555 -2.5114 -2.5114 -1.1263 -1.1263 -1.1111 -1.1111 -1.0952 -1.0952 -0.5333 -0.5333 -0.5321 -0.5321 0.9302 0.9302 1.3661 1.3661 1.4301 1.4301 1.4392 1.4392 1.5840 1.5840 1.5860 1.5860 5.0516 5.0516 5.4380 5.4380 5.4500 5.4500 5.5531 5.5531 5.5889 5.5889 5.5947 5.5947 5.9959 5.9959 6.5125 6.5125 6.5199 6.5199 7.5543 7.5543 k = 0.3431 0.3431 0.3431 ( 5728 PWs) bands (ev): -20.4551 -20.4551 -17.6114 -17.6114 -17.5449 -17.5449 -17.5445 -17.5445 -15.7056 -15.7056 -15.7055 -15.7055 -15.6951 -15.6951 -6.9707 -6.9707 -6.9623 -6.9623 -6.9098 -6.9098 -5.2576 -5.2576 -4.5564 -4.5564 -4.4875 -4.4875 -3.3657 -3.3657 -3.3646 -3.3646 -3.1955 -3.1955 -3.0805 -3.0805 -3.0285 -3.0285 -2.7242 -2.7242 -2.7239 -2.7239 -2.5819 -2.5819 -2.5109 -2.5109 -1.1083 -1.1083 -1.0930 -1.0930 -1.0835 -1.0835 -0.5121 -0.5121 -0.5110 -0.5110 0.8969 0.8969 1.3514 1.3514 1.4152 1.4152 1.4236 1.4236 1.5777 1.5777 1.5790 1.5790 5.0767 5.0767 5.4549 5.4549 5.4665 5.4665 5.5595 5.5595 5.5922 5.5922 5.5982 5.5982 6.0606 6.0606 6.5328 6.5328 6.5405 6.5405 7.5934 7.5934 k = 0.3529 0.3529 0.3529 ( 5722 PWs) bands (ev): -20.4547 -20.4547 -17.6046 -17.6046 -17.5453 -17.5453 -17.5449 -17.5449 -15.7096 -15.7096 -15.7094 -15.7094 -15.6999 -15.6999 -6.9461 -6.9461 -6.9379 -6.9379 -6.8924 -6.8924 -5.2680 -5.2680 -4.5721 -4.5721 -4.5089 -4.5089 -3.3724 -3.3724 -3.3713 -3.3713 -3.2095 -3.2095 -3.0907 -3.0907 -3.0405 -3.0405 -2.7269 -2.7269 -2.7269 -2.7269 -2.6073 -2.6073 -2.5101 -2.5101 -1.0919 -1.0919 -1.0759 -1.0759 -1.0707 -1.0707 -0.4904 -0.4904 -0.4895 -0.4895 0.8639 0.8639 1.3369 1.3369 1.3992 1.3992 1.4069 1.4069 1.5718 1.5718 1.5725 1.5725 5.0995 5.0995 5.4713 5.4713 5.4824 5.4824 5.5665 5.5665 5.5960 5.5960 5.6020 5.6020 6.1243 6.1243 6.5517 6.5517 6.5599 6.5599 7.6308 7.6308 k = 0.3627 0.3627 0.3627 ( 5728 PWs) bands (ev): -20.4543 -20.4543 -17.5981 -17.5981 -17.5457 -17.5457 -17.5453 -17.5453 -15.7135 -15.7135 -15.7133 -15.7133 -15.7046 -15.7046 -6.9219 -6.9219 -6.9140 -6.9140 -6.8749 -6.8749 -5.2792 -5.2792 -4.5882 -4.5882 -4.5311 -4.5311 -3.3788 -3.3788 -3.3778 -3.3778 -3.2228 -3.2228 -3.0988 -3.0988 -3.0513 -3.0513 -2.7296 -2.7296 -2.7294 -2.7294 -2.6315 -2.6315 -2.5091 -2.5091 -1.0768 -1.0768 -1.0600 -1.0600 -1.0572 -1.0572 -0.4684 -0.4684 -0.4677 -0.4677 0.8314 0.8314 1.3228 1.3228 1.3823 1.3823 1.3895 1.3895 1.5662 1.5662 1.5664 1.5664 5.1204 5.1204 5.4870 5.4870 5.4976 5.4976 5.5740 5.5740 5.6002 5.6002 5.6061 5.6061 6.1867 6.1867 6.5693 6.5693 6.5780 6.5780 7.6662 7.6662 k = 0.3725 0.3725 0.3725 ( 5728 PWs) bands (ev): -20.4539 -20.4539 -17.5918 -17.5918 -17.5460 -17.5460 -17.5456 -17.5456 -15.7171 -15.7171 -15.7169 -15.7169 -15.7091 -15.7091 -6.8983 -6.8983 -6.8908 -6.8908 -6.8576 -6.8576 -5.2909 -5.2909 -4.6047 -4.6047 -4.5537 -4.5537 -3.3848 -3.3848 -3.3840 -3.3840 -3.2355 -3.2355 -3.1050 -3.1050 -3.0609 -3.0609 -2.7320 -2.7320 -2.7315 -2.7315 -2.6544 -2.6544 -2.5082 -2.5082 -1.0628 -1.0628 -1.0452 -1.0452 -1.0435 -1.0435 -0.4463 -0.4463 -0.4458 -0.4458 0.7996 0.7996 1.3091 1.3091 1.3649 1.3649 1.3716 1.3716 1.5607 1.5607 1.5608 1.5608 5.1393 5.1393 5.5019 5.5019 5.5119 5.5119 5.5819 5.5819 5.6048 5.6048 5.6104 5.6104 6.2473 6.2473 6.5857 6.5857 6.5948 6.5948 7.6995 7.6995 k = 0.3824 0.3824 0.3824 ( 5728 PWs) bands (ev): -20.4536 -20.4536 -17.5859 -17.5859 -17.5464 -17.5464 -17.5459 -17.5459 -15.7205 -15.7205 -15.7203 -15.7203 -15.7135 -15.7135 -6.8754 -6.8754 -6.8684 -6.8684 -6.8406 -6.8406 -5.3031 -5.3031 -4.6212 -4.6212 -4.5765 -4.5765 -3.3906 -3.3906 -3.3898 -3.3898 -3.2474 -3.2474 -3.1094 -3.1094 -3.0695 -3.0695 -2.7340 -2.7340 -2.7334 -2.7334 -2.6759 -2.6759 -2.5071 -2.5071 -1.0494 -1.0494 -1.0314 -1.0314 -1.0301 -1.0301 -0.4244 -0.4244 -0.4240 -0.4240 0.7687 0.7687 1.2959 1.2959 1.3471 1.3471 1.3536 1.3536 1.5554 1.5554 1.5557 1.5557 5.1564 5.1564 5.5159 5.5159 5.5252 5.5252 5.5901 5.5901 5.6096 5.6096 5.6150 5.6150 6.3056 6.3056 6.6008 6.6008 6.6103 6.6103 7.7306 7.7306 k = 0.3922 0.3922 0.3922 ( 5725 PWs) bands (ev): -20.4533 -20.4533 -17.5802 -17.5802 -17.5467 -17.5467 -17.5462 -17.5462 -15.7237 -15.7237 -15.7235 -15.7235 -15.7176 -15.7176 -6.8534 -6.8534 -6.8469 -6.8469 -6.8240 -6.8240 -5.3155 -5.3155 -4.6375 -4.6375 -4.5989 -4.5989 -3.3959 -3.3959 -3.3952 -3.3952 -3.2586 -3.2586 -3.1123 -3.1123 -3.0770 -3.0770 -2.7358 -2.7358 -2.7350 -2.7350 -2.6958 -2.6958 -2.5061 -2.5061 -1.0364 -1.0364 -1.0187 -1.0187 -1.0174 -1.0174 -0.4029 -0.4029 -0.4027 -0.4027 0.7390 0.7390 1.2834 1.2834 1.3294 1.3294 1.3356 1.3356 1.5505 1.5505 1.5509 1.5509 5.1719 5.1719 5.5290 5.5290 5.5375 5.5375 5.5983 5.5983 5.6148 5.6148 5.6197 5.6197 6.3612 6.3612 6.6146 6.6146 6.6245 6.6245 7.7594 7.7594 k = 0.4020 0.4020 0.4020 ( 5718 PWs) bands (ev): -20.4530 -20.4530 -17.5749 -17.5749 -17.5470 -17.5470 -17.5465 -17.5465 -15.7267 -15.7267 -15.7265 -15.7265 -15.7214 -15.7214 -6.8324 -6.8324 -6.8266 -6.8266 -6.8081 -6.8081 -5.3280 -5.3280 -4.6534 -4.6534 -4.6208 -4.6208 -3.4009 -3.4009 -3.4004 -3.4004 -3.2690 -3.2690 -3.1140 -3.1140 -3.0836 -3.0836 -2.7372 -2.7372 -2.7364 -2.7364 -2.7142 -2.7142 -2.5050 -2.5050 -1.0239 -1.0239 -1.0071 -1.0071 -1.0056 -1.0056 -0.3821 -0.3821 -0.3819 -0.3819 0.7106 0.7106 1.2716 1.2716 1.3120 1.3120 1.3179 1.3179 1.5458 1.5458 1.5463 1.5463 5.1858 5.1858 5.5411 5.5411 5.5487 5.5487 5.6065 5.6065 5.6201 5.6201 5.6244 5.6244 6.4137 6.4137 6.6271 6.6271 6.6374 6.6374 7.7859 7.7859 k = 0.4118 0.4118 0.4118 ( 5718 PWs) bands (ev): -20.4528 -20.4528 -17.5700 -17.5700 -17.5472 -17.5472 -17.5467 -17.5467 -15.7295 -15.7295 -15.7292 -15.7292 -15.7250 -15.7250 -6.8127 -6.8127 -6.8076 -6.8076 -6.7929 -6.7929 -5.3402 -5.3402 -4.6687 -4.6687 -4.6418 -4.6418 -3.4055 -3.4055 -3.4051 -3.4051 -3.2785 -3.2785 -3.1148 -3.1148 -3.0893 -3.0893 -2.7387 -2.7387 -2.7376 -2.7376 -2.7307 -2.7307 -2.5040 -2.5040 -1.0118 -1.0118 -0.9966 -0.9966 -0.9948 -0.9948 -0.3621 -0.3621 -0.3620 -0.3620 0.6840 0.6840 1.2606 1.2606 1.2951 1.2951 1.3008 1.3008 1.5415 1.5415 1.5420 1.5420 5.1981 5.1981 5.5522 5.5522 5.5588 5.5588 5.6143 5.6143 5.6254 5.6254 5.6290 5.6290 6.4627 6.4627 6.6383 6.6383 6.6489 6.6489 7.8099 7.8099 k = 0.4216 0.4216 0.4216 ( 5721 PWs) bands (ev): -20.4526 -20.4526 -17.5656 -17.5656 -17.5474 -17.5474 -17.5470 -17.5470 -15.7320 -15.7320 -15.7317 -15.7317 -15.7283 -15.7283 -6.7944 -6.7944 -6.7900 -6.7900 -6.7786 -6.7786 -5.3521 -5.3521 -4.6832 -4.6832 -4.6616 -4.6616 -3.4097 -3.4097 -3.4094 -3.4094 -3.2870 -3.2870 -3.1150 -3.1150 -3.0942 -3.0942 -2.7468 -2.7468 -2.7388 -2.7388 -2.7386 -2.7386 -2.5031 -2.5031 -1.0004 -1.0004 -0.9872 -0.9872 -0.9850 -0.9850 -0.3433 -0.3433 -0.3433 -0.3433 0.6592 0.6592 1.2505 1.2505 1.2790 1.2790 1.2846 1.2846 1.5376 1.5376 1.5380 1.5380 5.2090 5.2090 5.5621 5.5621 5.5676 5.5676 5.6218 5.6218 5.6307 5.6307 5.6336 5.6336 6.5078 6.5078 6.6484 6.6484 6.6592 6.6592 7.8314 7.8314 k = 0.4314 0.4314 0.4314 ( 5721 PWs) bands (ev): -20.4524 -20.4524 -17.5616 -17.5616 -17.5476 -17.5476 -17.5471 -17.5471 -15.7342 -15.7342 -15.7339 -15.7339 -15.7313 -15.7313 -6.7776 -6.7776 -6.7740 -6.7740 -6.7655 -6.7655 -5.3633 -5.3633 -4.6965 -4.6965 -4.6798 -4.6798 -3.4134 -3.4134 -3.4132 -3.4132 -3.2946 -3.2946 -3.1146 -3.1146 -3.0983 -3.0983 -2.7599 -2.7599 -2.7399 -2.7399 -2.7395 -2.7395 -2.5022 -2.5022 -0.9898 -0.9898 -0.9788 -0.9788 -0.9763 -0.9763 -0.3260 -0.3260 -0.3259 -0.3259 0.6366 0.6366 1.2413 1.2413 1.2641 1.2641 1.2695 1.2695 1.5340 1.5340 1.5344 1.5344 5.2185 5.2185 5.5708 5.5708 5.5753 5.5753 5.6287 5.6287 5.6359 5.6359 5.6380 5.6380 6.5486 6.5486 6.6572 6.6572 6.6682 6.6682 7.8503 7.8503 k = 0.4412 0.4412 0.4412 ( 5727 PWs) bands (ev): -20.4522 -20.4522 -17.5581 -17.5581 -17.5478 -17.5478 -17.5473 -17.5473 -15.7361 -15.7361 -15.7359 -15.7359 -15.7339 -15.7339 -6.7627 -6.7627 -6.7597 -6.7597 -6.7537 -6.7537 -5.3736 -5.3736 -4.7086 -4.7086 -4.6962 -4.6962 -3.4167 -3.4167 -3.4165 -3.4165 -3.3012 -3.3012 -3.1140 -3.1140 -3.1017 -3.1017 -2.7716 -2.7716 -2.7406 -2.7406 -2.7402 -2.7402 -2.5014 -2.5014 -0.9802 -0.9802 -0.9716 -0.9716 -0.9688 -0.9688 -0.3103 -0.3103 -0.3102 -0.3102 0.6163 0.6163 1.2331 1.2331 1.2507 1.2507 1.2557 1.2557 1.5309 1.5309 1.5312 1.5312 5.2267 5.2267 5.5784 5.5784 5.5818 5.5818 5.6349 5.6349 5.6408 5.6408 5.6421 5.6421 6.5847 6.5847 6.6649 6.6649 6.6760 6.6760 7.8668 7.8668 k = 0.4510 0.4510 0.4510 ( 5724 PWs) bands (ev): -20.4521 -20.4521 -17.5550 -17.5550 -17.5479 -17.5479 -17.5474 -17.5474 -15.7378 -15.7378 -15.7375 -15.7375 -15.7362 -15.7362 -6.7497 -6.7497 -6.7474 -6.7474 -6.7434 -6.7434 -5.3828 -5.3828 -4.7192 -4.7192 -4.7105 -4.7105 -3.4195 -3.4195 -3.4194 -3.4194 -3.3067 -3.3067 -3.1132 -3.1132 -3.1045 -3.1045 -2.7815 -2.7815 -2.7411 -2.7411 -2.7408 -2.7408 -2.5006 -2.5006 -0.9716 -0.9716 -0.9654 -0.9654 -0.9623 -0.9623 -0.2965 -0.2965 -0.2965 -0.2965 0.5987 0.5987 1.2258 1.2258 1.2390 1.2390 1.2436 1.2436 1.5282 1.5282 1.5284 1.5284 5.2335 5.2335 5.5848 5.5848 5.5872 5.5872 5.6402 5.6402 5.6452 5.6452 5.6459 5.6459 6.6156 6.6156 6.6717 6.6717 6.6826 6.6826 7.8806 7.8806 k = 0.4608 0.4608 0.4608 ( 5724 PWs) bands (ev): -20.4520 -20.4520 -17.5525 -17.5525 -17.5480 -17.5480 -17.5476 -17.5476 -15.7392 -15.7392 -15.7389 -15.7389 -15.7381 -15.7381 -6.7388 -6.7388 -6.7371 -6.7371 -6.7347 -6.7347 -5.3907 -5.3907 -4.7282 -4.7282 -4.7225 -4.7225 -3.4219 -3.4219 -3.4218 -3.4218 -3.3113 -3.3113 -3.1123 -3.1123 -3.1068 -3.1068 -2.7897 -2.7897 -2.7414 -2.7414 -2.7413 -2.7413 -2.5000 -2.5000 -0.9644 -0.9644 -0.9603 -0.9603 -0.9570 -0.9570 -0.2849 -0.2849 -0.2848 -0.2848 0.5840 0.5840 1.2194 1.2194 1.2295 1.2295 1.2333 1.2333 1.5260 1.5260 1.5261 1.5261 5.2391 5.2391 5.5900 5.5900 5.5916 5.5916 5.6446 5.6446 5.6490 5.6490 5.6493 5.6493 6.6409 6.6409 6.6777 6.6777 6.6879 6.6879 7.8920 7.8920 k = 0.4706 0.4706 0.4706 ( 5724 PWs) bands (ev): -20.4519 -20.4519 -17.5506 -17.5506 -17.5481 -17.5481 -17.5476 -17.5476 -15.7403 -15.7403 -15.7400 -15.7400 -15.7395 -15.7395 -6.7302 -6.7302 -6.7290 -6.7290 -6.7278 -6.7278 -5.3970 -5.3970 -4.7353 -4.7353 -4.7321 -4.7321 -3.4237 -3.4237 -3.4237 -3.4237 -3.3148 -3.3148 -3.1116 -3.1116 -3.1084 -3.1084 -2.7960 -2.7960 -2.7417 -2.7417 -2.7416 -2.7416 -2.4995 -2.4995 -0.9587 -0.9587 -0.9564 -0.9564 -0.9527 -0.9527 -0.2756 -0.2756 -0.2756 -0.2756 0.5723 0.5723 1.2138 1.2138 1.2224 1.2224 1.2251 1.2251 1.5242 1.5242 1.5243 1.5243 5.2434 5.2434 5.5940 5.5940 5.5949 5.5949 5.6480 5.6480 5.6521 5.6521 5.6521 5.6521 6.6597 6.6597 6.6835 6.6835 6.6920 6.6920 7.9007 7.9007 k = 0.4804 0.4804 0.4804 ( 5736 PWs) bands (ev): -20.4518 -20.4518 -17.5493 -17.5493 -17.5481 -17.5481 -17.5477 -17.5477 -15.7411 -15.7411 -15.7408 -15.7408 -15.7406 -15.7406 -6.7240 -6.7240 -6.7231 -6.7231 -6.7227 -6.7227 -5.4017 -5.4017 -4.7405 -4.7405 -4.7391 -4.7391 -3.4251 -3.4251 -3.4250 -3.4250 -3.3173 -3.3173 -3.1110 -3.1110 -3.1096 -3.1096 -2.8006 -2.8006 -2.7420 -2.7420 -2.7419 -2.7419 -2.4992 -2.4992 -0.9546 -0.9546 -0.9536 -0.9536 -0.9497 -0.9497 -0.2689 -0.2689 -0.2688 -0.2688 0.5638 0.5638 1.2092 1.2092 1.2177 1.2177 1.2191 1.2191 1.5229 1.5229 1.5229 1.5229 5.2464 5.2464 5.5969 5.5969 5.5973 5.5973 5.6504 5.6504 5.6543 5.6543 5.6543 5.6543 6.6711 6.6711 6.6897 6.6897 6.6949 6.6949 7.9070 7.9070 k = 0.4902 0.4902 0.4902 ( 5742 PWs) bands (ev): -20.4518 -20.4518 -17.5486 -17.5486 -17.5479 -17.5479 -17.5477 -17.5477 -15.7416 -15.7416 -15.7412 -15.7412 -15.7412 -15.7412 -6.7204 -6.7204 -6.7196 -6.7196 -6.7195 -6.7195 -5.4045 -5.4045 -4.7436 -4.7436 -4.7433 -4.7433 -3.4259 -3.4259 -3.4259 -3.4259 -3.3188 -3.3188 -3.1107 -3.1107 -3.1103 -3.1103 -2.8033 -2.8033 -2.7421 -2.7421 -2.7420 -2.7420 -2.4990 -2.4990 -0.9521 -0.9521 -0.9519 -0.9519 -0.9478 -0.9478 -0.2648 -0.2648 -0.2647 -0.2647 0.5587 0.5587 1.2062 1.2062 1.2151 1.2151 1.2154 1.2154 1.5221 1.5221 1.5221 1.5221 5.2482 5.2482 5.5986 5.5986 5.5987 5.5987 5.6517 5.6517 5.6557 5.6557 5.6557 5.6557 6.6764 6.6764 6.6951 6.6951 6.6967 6.6967 7.9108 7.9108 k = 0.5000 0.5000 0.5000 ( 5832 PWs) bands (ev): -20.4518 -20.4518 -17.5485 -17.5485 -17.5478 -17.5478 -17.5478 -17.5478 -15.7418 -15.7418 -15.7414 -15.7414 -15.7414 -15.7414 -6.7192 -6.7192 -6.7184 -6.7184 -6.7184 -6.7184 -5.4055 -5.4055 -4.7447 -4.7447 -4.7447 -4.7447 -3.4265 -3.4265 -3.4265 -3.4265 -3.3194 -3.3194 -3.1106 -3.1106 -3.1106 -3.1106 -2.8042 -2.8042 -2.7424 -2.7424 -2.7424 -2.7424 -2.4993 -2.4993 -0.9513 -0.9513 -0.9513 -0.9513 -0.9472 -0.9472 -0.2635 -0.2635 -0.2635 -0.2635 0.5570 0.5570 1.2052 1.2052 1.2142 1.2142 1.2142 1.2142 1.5218 1.5218 1.5218 1.5218 5.2487 5.2487 5.5991 5.5991 5.5991 5.5991 5.6521 5.6521 5.6561 5.6561 5.6561 5.6561 6.6777 6.6777 6.6971 6.6971 6.6971 6.6971 7.9120 7.9120 k = 0.5000 0.5000 0.5000 ( 5832 PWs) bands (ev): -20.4518 -20.4518 -17.5485 -17.5485 -17.5478 -17.5478 -17.5478 -17.5478 -15.7418 -15.7418 -15.7414 -15.7414 -15.7414 -15.7414 -6.7192 -6.7192 -6.7184 -6.7184 -6.7184 -6.7184 -5.4055 -5.4055 -4.7447 -4.7447 -4.7447 -4.7447 -3.4265 -3.4265 -3.4265 -3.4265 -3.3194 -3.3194 -3.1106 -3.1106 -3.1106 -3.1106 -2.8042 -2.8042 -2.7424 -2.7424 -2.7424 -2.7424 -2.4993 -2.4993 -0.9513 -0.9513 -0.9513 -0.9513 -0.9472 -0.9472 -0.2635 -0.2635 -0.2635 -0.2635 0.5570 0.5570 1.2052 1.2052 1.2142 1.2142 1.2142 1.2142 1.5218 1.5218 1.5218 1.5218 5.2487 5.2487 5.5991 5.5991 5.5991 5.5991 5.6521 5.6521 5.6561 5.6561 5.6561 5.6561 6.6777 6.6777 6.6971 6.6971 6.6971 6.6971 7.9120 7.9120 k = 0.4881 0.5000 0.4881 ( 5742 PWs) bands (ev): -20.4518 -20.4518 -17.5486 -17.5486 -17.5479 -17.5479 -17.5477 -17.5477 -15.7416 -15.7416 -15.7412 -15.7412 -15.7411 -15.7411 -6.7207 -6.7207 -6.7201 -6.7201 -6.7186 -6.7186 -5.4045 -5.4045 -4.7439 -4.7439 -4.7430 -4.7430 -3.4261 -3.4261 -3.4257 -3.4257 -3.3188 -3.3188 -3.1109 -3.1109 -3.1101 -3.1101 -2.8033 -2.8033 -2.7421 -2.7421 -2.7420 -2.7420 -2.4990 -2.4990 -0.9521 -0.9521 -0.9518 -0.9518 -0.9478 -0.9478 -0.2653 -0.2653 -0.2641 -0.2641 0.5587 0.5587 1.2062 1.2062 1.2149 1.2149 1.2155 1.2155 1.5219 1.5219 1.5223 1.5223 5.2483 5.2483 5.5985 5.5985 5.5988 5.5988 5.6517 5.6517 5.6556 5.6556 5.6559 5.6559 6.6764 6.6764 6.6951 6.6951 6.6967 6.6967 7.9108 7.9108 k = 0.4762 0.5000 0.4762 ( 5734 PWs) bands (ev): -20.4518 -20.4518 -17.5491 -17.5491 -17.5484 -17.5484 -17.5476 -17.5476 -15.7414 -15.7414 -15.7406 -15.7406 -15.7404 -15.7404 -6.7257 -6.7257 -6.7250 -6.7250 -6.7189 -6.7189 -5.4018 -5.4018 -4.7416 -4.7416 -4.7382 -4.7382 -3.4256 -3.4256 -3.4245 -3.4245 -3.3174 -3.3174 -3.1120 -3.1120 -3.1087 -3.1087 -2.8006 -2.8006 -2.7422 -2.7422 -2.7417 -2.7417 -2.4992 -2.4992 -0.9546 -0.9546 -0.9535 -0.9535 -0.9496 -0.9496 -0.2712 -0.2712 -0.2663 -0.2663 0.5637 0.5637 1.2091 1.2091 1.2171 1.2171 1.2196 1.2196 1.5222 1.5222 1.5237 1.5237 5.2465 5.2465 5.5966 5.5966 5.5977 5.5977 5.6503 5.6503 5.6539 5.6539 5.6550 5.6550 6.6715 6.6715 6.6889 6.6889 6.6957 6.6957 7.9071 7.9071 k = 0.4643 0.5000 0.4643 ( 5734 PWs) bands (ev): -20.4519 -20.4519 -17.5501 -17.5501 -17.5490 -17.5490 -17.5472 -17.5472 -15.7412 -15.7412 -15.7395 -15.7395 -15.7392 -15.7392 -6.7341 -6.7341 -6.7330 -6.7330 -6.7192 -6.7192 -5.3972 -5.3972 -4.7377 -4.7377 -4.7301 -4.7301 -3.4250 -3.4250 -3.4226 -3.4226 -3.3150 -3.3150 -3.1137 -3.1137 -3.1062 -3.1062 -2.7962 -2.7962 -2.7422 -2.7422 -2.7412 -2.7412 -2.4996 -2.4996 -0.9588 -0.9588 -0.9564 -0.9564 -0.9523 -0.9523 -0.2808 -0.2808 -0.2700 -0.2700 0.5721 0.5721 1.2134 1.2134 1.2208 1.2208 1.2266 1.2266 1.5225 1.5225 1.5258 1.5258 5.2434 5.2434 5.5933 5.5933 5.5959 5.5959 5.6476 5.6476 5.6510 5.6510 5.6537 5.6537 6.6615 6.6615 6.6793 6.6793 6.6949 6.6949 7.9010 7.9010 k = 0.4524 0.5000 0.4524 ( 5726 PWs) bands (ev): -20.4519 -20.4519 -17.5516 -17.5516 -17.5498 -17.5498 -17.5466 -17.5466 -15.7410 -15.7410 -15.7378 -15.7378 -15.7376 -15.7376 -6.7458 -6.7458 -6.7440 -6.7440 -6.7197 -6.7197 -5.3911 -5.3911 -4.7323 -4.7323 -4.7192 -4.7192 -3.4240 -3.4240 -3.4199 -3.4199 -3.3119 -3.3119 -3.1160 -3.1160 -3.1028 -3.1028 -2.7901 -2.7901 -2.7421 -2.7421 -2.7404 -2.7404 -2.5000 -2.5000 -0.9645 -0.9645 -0.9608 -0.9608 -0.9558 -0.9558 -0.2940 -0.2940 -0.2751 -0.2751 0.5835 0.5835 1.2190 1.2190 1.2258 1.2258 1.2366 1.2366 1.5230 1.5230 1.5289 1.5289 5.2392 5.2392 5.5887 5.5887 5.5933 5.5933 5.6436 5.6436 5.6472 5.6472 5.6523 5.6523 6.6458 6.6458 6.6671 6.6671 6.6947 6.6947 7.8926 7.8926 k = 0.4405 0.5000 0.4405 ( 5726 PWs) bands (ev): -20.4521 -20.4521 -17.5535 -17.5535 -17.5509 -17.5509 -17.5459 -17.5459 -15.7407 -15.7407 -15.7357 -15.7357 -15.7354 -15.7354 -6.7605 -6.7605 -6.7577 -6.7577 -6.7202 -6.7202 -5.3836 -5.3836 -4.7255 -4.7255 -4.7054 -4.7054 -3.4229 -3.4229 -3.4164 -3.4164 -3.3081 -3.3081 -3.1185 -3.1185 -3.0982 -3.0982 -2.7824 -2.7824 -2.7419 -2.7419 -2.7394 -2.7394 -2.5006 -2.5006 -0.9718 -0.9718 -0.9667 -0.9667 -0.9598 -0.9598 -0.3105 -0.3105 -0.2817 -0.2817 0.5981 0.5981 1.2257 1.2257 1.2322 1.2322 1.2493 1.2493 1.5237 1.5237 1.5327 1.5327 5.2338 5.2338 5.5828 5.5828 5.5901 5.5901 5.6383 5.6383 5.6424 5.6424 5.6507 5.6507 6.6244 6.6244 6.6523 6.6523 6.6951 6.6951 7.8818 7.8818 k = 0.4286 0.5000 0.4286 ( 5724 PWs) bands (ev): -20.4522 -20.4522 -17.5559 -17.5559 -17.5521 -17.5521 -17.5450 -17.5450 -15.7403 -15.7403 -15.7332 -15.7332 -15.7329 -15.7329 -6.7779 -6.7779 -6.7740 -6.7740 -6.7209 -6.7209 -5.3749 -5.3749 -4.7174 -4.7174 -4.6893 -4.6893 -3.4215 -3.4215 -3.4123 -3.4123 -3.3038 -3.3038 -3.1212 -3.1212 -3.0924 -3.0924 -2.7736 -2.7736 -2.7411 -2.7411 -2.7381 -2.7381 -2.5013 -2.5013 -0.9803 -0.9803 -0.9742 -0.9742 -0.9645 -0.9645 -0.3300 -0.3300 -0.2896 -0.2896 0.6154 0.6154 1.2337 1.2337 1.2398 1.2398 1.2643 1.2643 1.5244 1.5244 1.5373 1.5373 5.2272 5.2272 5.5755 5.5755 5.5862 5.5862 5.6317 5.6317 5.6368 5.6368 5.6491 5.6491 6.5981 6.5981 6.6348 6.6348 6.6959 6.6959 7.8689 7.8689 k = 0.4167 0.5000 0.4167 ( 5728 PWs) bands (ev): -20.4524 -20.4524 -17.5586 -17.5586 -17.5535 -17.5535 -17.5439 -17.5439 -15.7399 -15.7399 -15.7303 -15.7303 -15.7299 -15.7299 -6.7978 -6.7978 -6.7925 -6.7925 -6.7217 -6.7217 -5.3652 -5.3652 -4.7080 -4.7080 -4.6710 -4.6710 -3.4200 -3.4200 -3.4075 -3.4075 -3.2995 -3.2995 -3.1236 -3.1236 -3.0854 -3.0854 -2.7646 -2.7646 -2.7389 -2.7389 -2.7363 -2.7363 -2.5021 -2.5021 -0.9900 -0.9900 -0.9830 -0.9830 -0.9699 -0.9699 -0.3521 -0.3521 -0.2988 -0.2988 0.6353 0.6353 1.2428 1.2428 1.2486 1.2486 1.2815 1.2815 1.5253 1.5253 1.5425 1.5425 5.2194 5.2194 5.5669 5.5669 5.5816 5.5816 5.6240 5.6240 5.6304 5.6304 5.6474 5.6474 6.5673 6.5673 6.6146 6.6146 6.6968 6.6968 7.8538 7.8538 k = 0.4048 0.5000 0.4048 ( 5728 PWs) bands (ev): -20.4526 -20.4526 -17.5617 -17.5617 -17.5552 -17.5552 -17.5427 -17.5427 -15.7394 -15.7394 -15.7270 -15.7270 -15.7265 -15.7265 -6.8198 -6.8198 -6.8132 -6.8132 -6.7226 -6.7226 -5.3549 -5.3549 -4.6974 -4.6974 -4.6510 -4.6510 -3.4184 -3.4184 -3.4020 -3.4020 -3.2955 -3.2955 -3.1252 -3.1252 -3.0769 -3.0769 -2.7578 -2.7578 -2.7359 -2.7359 -2.7311 -2.7311 -2.5030 -2.5030 -1.0007 -1.0007 -0.9932 -0.9932 -0.9759 -0.9759 -0.3764 -0.3764 -0.3093 -0.3093 0.6576 0.6576 1.2529 1.2529 1.2585 1.2585 1.3003 1.3003 1.5264 1.5264 1.5484 1.5484 5.2103 5.2103 5.5571 5.5571 5.5765 5.5765 5.6151 5.6151 5.6232 5.6232 5.6458 5.6458 6.5327 6.5327 6.5916 6.5916 6.6977 6.6977 7.8368 7.8368 k = 0.3929 0.5000 0.3929 ( 5724 PWs) bands (ev): -20.4528 -20.4528 -17.5652 -17.5652 -17.5569 -17.5569 -17.5413 -17.5413 -15.7388 -15.7388 -15.7233 -15.7233 -15.7227 -15.7227 -6.8438 -6.8438 -6.8355 -6.8355 -6.7236 -6.7236 -5.3441 -5.3441 -4.6859 -4.6859 -4.6296 -4.6296 -3.4165 -3.4165 -3.3958 -3.3958 -3.2923 -3.2923 -3.1256 -3.1256 -3.0670 -3.0670 -2.7544 -2.7544 -2.7336 -2.7336 -2.7195 -2.7195 -2.5039 -2.5039 -1.0124 -1.0124 -1.0046 -1.0046 -0.9825 -0.9825 -0.4026 -0.4026 -0.3211 -0.3211 0.6821 0.6821 1.2640 1.2640 1.2694 1.2694 1.3205 1.3205 1.5275 1.5275 1.5547 1.5547 5.2000 5.2000 5.5461 5.5461 5.5708 5.5708 5.6053 5.6053 5.6154 5.6154 5.6442 5.6442 6.4946 6.4946 6.5659 6.5659 6.6986 6.6986 7.8180 7.8180 k = 0.3810 0.5000 0.3810 ( 5720 PWs) bands (ev): -20.4530 -20.4530 -17.5690 -17.5690 -17.5589 -17.5589 -17.5399 -17.5399 -15.7382 -15.7382 -15.7193 -15.7193 -15.7186 -15.7186 -6.8693 -6.8693 -6.8593 -6.8593 -6.7246 -6.7246 -5.3331 -5.3331 -4.6734 -4.6734 -4.6072 -4.6072 -3.4146 -3.4146 -3.3891 -3.3891 -3.2904 -3.2904 -3.1241 -3.1241 -3.0555 -3.0555 -2.7532 -2.7532 -2.7312 -2.7312 -2.7037 -2.7037 -2.5048 -2.5048 -1.0251 -1.0251 -1.0169 -1.0169 -0.9897 -0.9897 -0.4304 -0.4304 -0.3340 -0.3340 0.7086 0.7086 1.2759 1.2759 1.2813 1.2813 1.3417 1.3417 1.5288 1.5288 1.5615 1.5615 5.1885 5.1885 5.5340 5.5340 5.5645 5.5645 5.5945 5.5945 5.6071 5.6071 5.6428 5.6428 6.4534 6.4534 6.5376 6.5376 6.6992 6.6992 7.7975 7.7975 k = 0.3690 0.5000 0.3690 ( 5720 PWs) bands (ev): -20.4532 -20.4532 -17.5731 -17.5731 -17.5610 -17.5610 -17.5382 -17.5382 -15.7376 -15.7376 -15.7149 -15.7149 -15.7141 -15.7141 -6.8962 -6.8962 -6.8844 -6.8844 -6.7258 -6.7258 -5.3220 -5.3220 -4.6603 -4.6603 -4.5841 -4.5841 -3.4126 -3.4126 -3.3819 -3.3819 -3.2903 -3.2903 -3.1202 -3.1202 -3.0423 -3.0423 -2.7531 -2.7531 -2.7284 -2.7284 -2.6850 -2.6850 -2.5057 -2.5057 -1.0394 -1.0394 -1.0297 -1.0297 -0.9973 -0.9973 -0.4592 -0.4592 -0.3481 -0.3481 0.7367 0.7367 1.2884 1.2884 1.2940 1.2940 1.3636 1.3636 1.5301 1.5301 1.5685 1.5685 5.1758 5.1758 5.5209 5.5209 5.5578 5.5578 5.5828 5.5828 5.5984 5.5984 5.6415 5.6415 6.4098 6.4098 6.5069 6.5069 6.6995 6.6995 7.7756 7.7756 k = 0.3571 0.5000 0.3571 ( 5730 PWs) bands (ev): -20.4535 -20.4535 -17.5774 -17.5774 -17.5631 -17.5631 -17.5365 -17.5365 -15.7369 -15.7369 -15.7103 -15.7103 -15.7094 -15.7094 -6.9242 -6.9242 -6.9103 -6.9103 -6.7271 -6.7271 -5.3110 -5.3110 -4.6467 -4.6467 -4.5608 -4.5608 -3.4106 -3.4106 -3.3742 -3.3742 -3.2923 -3.2923 -3.1134 -3.1134 -3.0275 -3.0275 -2.7534 -2.7534 -2.7254 -2.7254 -2.6641 -2.6641 -2.5067 -2.5067 -1.0555 -1.0555 -1.0423 -1.0423 -1.0055 -1.0055 -0.4888 -0.4888 -0.3631 -0.3631 0.7663 0.7663 1.3015 1.3015 1.3076 1.3076 1.3860 1.3860 1.5316 1.5316 1.5758 1.5758 5.1618 5.1618 5.5068 5.5068 5.5506 5.5506 5.5702 5.5702 5.5893 5.5893 5.6403 5.6403 6.3640 6.3640 6.4739 6.4739 6.6994 6.6994 7.7525 7.7525 k = 0.3452 0.5000 0.3452 ( 5728 PWs) bands (ev): -20.4538 -20.4538 -17.5820 -17.5820 -17.5654 -17.5654 -17.5347 -17.5347 -15.7362 -15.7362 -15.7054 -15.7054 -15.7045 -15.7045 -6.9531 -6.9531 -6.9368 -6.9368 -6.7284 -6.7284 -5.3002 -5.3002 -4.6327 -4.6327 -4.5376 -4.5376 -3.4086 -3.4086 -3.3660 -3.3660 -3.2964 -3.2964 -3.1034 -3.1034 -3.0110 -3.0110 -2.7540 -2.7540 -2.7219 -2.7219 -2.6412 -2.6412 -2.5076 -2.5076 -1.0736 -1.0736 -1.0546 -1.0546 -1.0140 -1.0140 -0.5188 -0.5188 -0.3792 -0.3792 0.7971 0.7971 1.3148 1.3148 1.3219 1.3219 1.4086 1.4086 1.5331 1.5331 1.5830 1.5830 5.1466 5.1466 5.4920 5.4920 5.5430 5.5430 5.5569 5.5569 5.5802 5.5802 5.6392 5.6392 6.3166 6.3166 6.4389 6.4389 6.6987 6.6987 7.7283 7.7283 k = 0.3333 0.5000 0.3333 ( 5732 PWs) bands (ev): -20.4541 -20.4541 -17.5869 -17.5869 -17.5678 -17.5678 -17.5327 -17.5327 -15.7354 -15.7354 -15.7003 -15.7003 -15.6993 -15.6993 -6.9826 -6.9826 -6.9638 -6.9638 -6.7298 -6.7298 -5.2898 -5.2898 -4.6186 -4.6186 -4.5147 -4.5147 -3.4065 -3.4065 -3.3575 -3.3575 -3.3025 -3.3025 -3.0904 -3.0904 -2.9929 -2.9929 -2.7546 -2.7546 -2.7179 -2.7179 -2.6165 -2.6165 -2.5084 -2.5084 -1.0936 -1.0936 -1.0666 -1.0666 -1.0229 -1.0229 -0.5490 -0.5490 -0.3961 -0.3961 0.8289 0.8289 1.3284 1.3284 1.3370 1.3370 1.4310 1.4310 1.5347 1.5347 1.5902 1.5902 5.1303 5.1303 5.4765 5.4765 5.5346 5.5346 5.5431 5.5431 5.5712 5.5712 5.6384 5.6384 6.2680 6.2680 6.4019 6.4019 6.6974 6.6974 7.7034 7.7034 k = 0.3214 0.5000 0.3214 ( 5716 PWs) bands (ev): -20.4545 -20.4545 -17.5919 -17.5919 -17.5702 -17.5702 -17.5307 -17.5307 -15.7346 -15.7346 -15.6950 -15.6950 -15.6939 -15.6939 -7.0126 -7.0126 -6.9909 -6.9909 -6.7312 -6.7312 -5.2799 -5.2799 -4.6045 -4.6045 -4.4924 -4.4924 -3.4044 -3.4044 -3.3487 -3.3487 -3.3102 -3.3102 -3.0744 -3.0744 -2.9733 -2.9733 -2.7552 -2.7552 -2.7134 -2.7134 -2.5901 -2.5901 -2.5089 -2.5089 -1.1154 -1.1154 -1.0781 -1.0781 -1.0320 -1.0320 -0.5789 -0.5789 -0.4139 -0.4139 0.8616 0.8616 1.3422 1.3422 1.3526 1.3526 1.4532 1.4532 1.5365 1.5365 1.5972 1.5972 5.1128 5.1128 5.4604 5.4604 5.5242 5.5242 5.5303 5.5303 5.5623 5.5623 5.6377 5.6377 6.2186 6.2186 6.3633 6.3633 6.6953 6.6953 7.6780 7.6780 k = 0.3095 0.5000 0.3095 ( 5716 PWs) bands (ev): -20.4548 -20.4548 -17.5970 -17.5970 -17.5727 -17.5727 -17.5286 -17.5286 -15.7337 -15.7337 -15.6895 -15.6895 -15.6884 -15.6884 -7.0428 -7.0428 -7.0180 -7.0180 -6.7327 -6.7327 -5.2705 -5.2705 -4.5906 -4.5906 -4.4710 -4.4710 -3.4024 -3.4024 -3.3403 -3.3403 -3.3187 -3.3187 -3.0556 -3.0556 -2.9522 -2.9522 -2.7559 -2.7559 -2.7083 -2.7083 -2.5623 -2.5623 -2.5092 -2.5092 -1.1389 -1.1389 -1.0893 -1.0893 -1.0413 -1.0413 -0.6085 -0.6085 -0.4324 -0.4324 0.8949 0.8949 1.3560 1.3560 1.3686 1.3686 1.4748 1.4748 1.5383 1.5383 1.6039 1.6039 5.0941 5.0941 5.4439 5.4439 5.5098 5.5098 5.5204 5.5204 5.5537 5.5537 5.6371 5.6371 6.1690 6.1690 6.3232 6.3232 6.6923 6.6923 7.6523 7.6523 k = 0.2976 0.5000 0.2976 ( 5708 PWs) bands (ev): -20.4552 -20.4552 -17.6023 -17.6023 -17.5752 -17.5752 -17.5264 -17.5264 -15.7328 -15.7328 -15.6839 -15.6839 -15.6828 -15.6828 -7.0730 -7.0730 -7.0450 -7.0450 -6.7342 -6.7342 -5.2616 -5.2616 -4.5772 -4.5772 -4.4506 -4.4506 -3.4004 -3.4004 -3.3369 -3.3369 -3.3231 -3.3231 -3.0342 -3.0342 -2.9299 -2.9299 -2.7566 -2.7566 -2.7026 -2.7026 -2.5342 -2.5342 -2.5083 -2.5083 -1.1641 -1.1641 -1.1000 -1.1000 -1.0506 -1.0506 -0.6374 -0.6374 -0.4516 -0.4516 0.9286 0.9286 1.3698 1.3698 1.3849 1.3849 1.4957 1.4957 1.5402 1.5402 1.6102 1.6102 5.0742 5.0742 5.4271 5.4271 5.4935 5.4935 5.5113 5.5113 5.5455 5.5455 5.6367 5.6367 6.1195 6.1195 6.2818 6.2818 6.6884 6.6884 7.6266 7.6266 k = 0.2857 0.5000 0.2857 ( 5704 PWs) bands (ev): -20.4555 -20.4555 -17.6077 -17.6077 -17.5778 -17.5778 -17.5242 -17.5242 -15.7319 -15.7319 -15.6782 -15.6782 -15.6771 -15.6771 -7.1032 -7.1032 -7.0716 -7.0716 -6.7358 -6.7358 -5.2534 -5.2534 -4.5642 -4.5642 -4.4313 -4.4313 -3.3985 -3.3985 -3.3449 -3.3449 -3.3165 -3.3165 -3.0104 -3.0104 -2.9065 -2.9065 -2.7572 -2.7572 -2.6962 -2.6962 -2.5159 -2.5159 -2.4959 -2.4959 -1.1909 -1.1909 -1.1103 -1.1103 -1.0600 -1.0600 -0.6657 -0.6657 -0.4714 -0.4714 0.9626 0.9626 1.3834 1.3834 1.4015 1.4015 1.5154 1.5154 1.5425 1.5425 1.6159 1.6159 5.0533 5.0533 5.4100 5.4100 5.4763 5.4763 5.5023 5.5023 5.5379 5.5379 5.6363 5.6363 6.0707 6.0707 6.2395 6.2395 6.6835 6.6835 7.6012 7.6012 k = 0.2738 0.5000 0.2738 ( 5708 PWs) bands (ev): -20.4559 -20.4559 -17.6131 -17.6131 -17.5803 -17.5803 -17.5219 -17.5219 -15.7310 -15.7310 -15.6724 -15.6724 -15.6714 -15.6714 -7.1331 -7.1331 -7.0977 -7.0977 -6.7373 -6.7373 -5.2459 -5.2459 -4.5520 -4.5520 -4.4131 -4.4131 -3.3967 -3.3967 -3.3563 -3.3563 -3.3071 -3.3071 -2.9843 -2.9843 -2.8822 -2.8822 -2.7579 -2.7579 -2.6890 -2.6890 -2.5136 -2.5136 -2.4663 -2.4663 -1.2191 -1.2191 -1.1203 -1.1203 -1.0692 -1.0692 -0.6931 -0.6931 -0.4916 -0.4916 0.9966 0.9966 1.3969 1.3969 1.4182 1.4182 1.5327 1.5327 1.5463 1.5463 1.6211 1.6211 5.0313 5.0313 5.3929 5.3929 5.4584 5.4584 5.4930 5.4930 5.5309 5.5309 5.6358 5.6358 6.0230 6.0230 6.1964 6.1964 6.6774 6.6774 7.5762 7.5762 k = 0.2619 0.5000 0.2619 ( 5708 PWs) bands (ev): -20.4563 -20.4563 -17.6186 -17.6186 -17.5828 -17.5828 -17.5196 -17.5196 -15.7301 -15.7301 -15.6667 -15.6667 -15.6656 -15.6656 -7.1626 -7.1626 -7.1232 -7.1232 -6.7389 -6.7389 -5.2390 -5.2390 -4.5406 -4.5406 -4.3960 -4.3960 -3.3950 -3.3950 -3.3686 -3.3686 -3.2971 -3.2971 -2.9564 -2.9564 -2.8573 -2.8573 -2.7584 -2.7584 -2.6811 -2.6811 -2.5133 -2.5133 -2.4334 -2.4334 -1.2485 -1.2485 -1.1299 -1.1299 -1.0782 -1.0782 -0.7197 -0.7197 -0.5122 -0.5122 1.0305 1.0305 1.4101 1.4101 1.4349 1.4349 1.5420 1.5420 1.5570 1.5570 1.6257 1.6257 5.0082 5.0082 5.3759 5.3759 5.4398 5.4398 5.4834 5.4834 5.5247 5.5247 5.6352 5.6352 5.9770 5.9770 6.1529 6.1529 6.6701 6.6701 7.5519 7.5519 k = 0.2500 0.5000 0.2500 ( 5692 PWs) bands (ev): -20.4567 -20.4567 -17.6240 -17.6240 -17.5853 -17.5853 -17.5173 -17.5173 -15.7292 -15.7292 -15.6609 -15.6609 -15.6599 -15.6599 -7.1915 -7.1915 -7.1480 -7.1480 -6.7405 -6.7405 -5.2328 -5.2328 -4.5302 -4.5302 -4.3801 -4.3801 -3.3937 -3.3937 -3.3809 -3.3809 -3.2867 -3.2867 -2.9266 -2.9266 -2.8320 -2.8320 -2.7587 -2.7587 -2.6721 -2.6721 -2.5131 -2.5131 -2.3992 -2.3992 -1.2788 -1.2788 -1.1392 -1.1392 -1.0868 -1.0868 -0.7454 -0.7454 -0.5331 -0.5331 1.0641 1.0641 1.4230 1.4230 1.4515 1.4515 1.5452 1.5452 1.5726 1.5726 1.6297 1.6297 4.9842 4.9842 5.3590 5.3590 5.4208 5.4208 5.4735 5.4735 5.5192 5.5192 5.6342 5.6342 5.9332 5.9332 6.1092 6.1092 6.6617 6.6617 7.5286 7.5286 k = 0.2381 0.5000 0.2381 ( 5708 PWs) bands (ev): -20.4571 -20.4571 -17.6295 -17.6295 -17.5877 -17.5877 -17.5149 -17.5149 -15.7282 -15.7282 -15.6551 -15.6551 -15.6543 -15.6543 -7.2198 -7.2198 -7.1720 -7.1720 -6.7421 -6.7421 -5.2273 -5.2273 -4.5208 -4.5208 -4.3652 -4.3652 -3.3968 -3.3968 -3.3892 -3.3892 -3.2764 -3.2764 -2.8954 -2.8954 -2.8068 -2.8068 -2.7587 -2.7587 -2.6622 -2.6622 -2.5131 -2.5131 -2.3642 -2.3642 -1.3100 -1.3100 -1.1484 -1.1484 -1.0948 -1.0948 -0.7704 -0.7704 -0.5542 -0.5542 1.0972 1.0972 1.4354 1.4354 1.4679 1.4679 1.5473 1.5473 1.5878 1.5878 1.6333 1.6333 4.9593 4.9593 5.3424 5.3424 5.4012 5.4012 5.4633 5.4633 5.5145 5.5145 5.6326 5.6326 5.8923 5.8923 6.0656 6.0656 6.6520 6.6520 7.5064 7.5064 k = 0.2262 0.5000 0.2262 ( 5700 PWs) bands (ev): -20.4575 -20.4575 -17.6348 -17.6348 -17.5900 -17.5900 -17.5126 -17.5126 -15.7273 -15.7273 -15.6495 -15.6495 -15.6487 -15.6487 -7.2473 -7.2473 -7.1951 -7.1951 -6.7436 -6.7436 -5.2224 -5.2224 -4.5125 -4.5125 -4.3512 -4.3512 -3.4084 -3.4084 -3.3889 -3.3889 -3.2660 -3.2660 -2.8631 -2.8631 -2.7825 -2.7825 -2.7577 -2.7577 -2.6512 -2.6512 -2.5128 -2.5128 -2.3287 -2.3287 -1.3415 -1.3415 -1.1575 -1.1575 -1.1022 -1.1022 -0.7946 -0.7946 -0.5753 -0.5753 1.1297 1.1297 1.4473 1.4473 1.4841 1.4841 1.5491 1.5491 1.6019 1.6019 1.6365 1.6365 4.9337 4.9337 5.3262 5.3262 5.3812 5.3812 5.4525 5.4525 5.5106 5.5106 5.6301 5.6301 5.8549 5.8549 6.0224 6.0224 6.6412 6.6412 7.4853 7.4853 k = 0.2143 0.5000 0.2143 ( 5696 PWs) bands (ev): -20.4579 -20.4579 -17.6401 -17.6401 -17.5923 -17.5923 -17.5103 -17.5103 -15.7264 -15.7264 -15.6439 -15.6439 -15.6433 -15.6433 -7.2740 -7.2740 -7.2172 -7.2172 -6.7452 -6.7452 -5.2183 -5.2183 -4.5053 -4.5053 -4.3382 -4.3382 -3.4211 -3.4211 -3.3876 -3.3876 -3.2557 -3.2557 -2.8302 -2.8302 -2.7647 -2.7647 -2.7501 -2.7501 -2.6389 -2.6389 -2.5124 -2.5124 -2.2929 -2.2929 -1.3730 -1.3730 -1.1666 -1.1666 -1.1089 -1.1089 -0.8182 -0.8182 -0.5964 -0.5964 1.1614 1.1614 1.4586 1.4586 1.5000 1.5000 1.5505 1.5505 1.6144 1.6144 1.6398 1.6398 4.9074 4.9074 5.3104 5.3104 5.3610 5.3610 5.4412 5.4412 5.5075 5.5075 5.6260 5.6260 5.8219 5.8219 5.9799 5.9799 6.6294 6.6294 7.4657 7.4657 k = 0.2024 0.5000 0.2024 ( 5696 PWs) bands (ev): -20.4583 -20.4583 -17.6453 -17.6453 -17.5945 -17.5945 -17.5081 -17.5081 -15.7254 -15.7254 -15.6384 -15.6384 -15.6380 -15.6380 -7.2996 -7.2996 -7.2383 -7.2383 -6.7467 -6.7467 -5.2148 -5.2148 -4.4991 -4.4991 -4.3258 -4.3258 -3.4339 -3.4339 -3.3863 -3.3863 -3.2456 -3.2456 -2.7983 -2.7983 -2.7591 -2.7591 -2.7291 -2.7291 -2.6254 -2.6254 -2.5119 -2.5119 -2.2573 -2.2573 -1.4043 -1.4043 -1.1757 -1.1757 -1.1147 -1.1147 -0.8414 -0.8414 -0.6172 -0.6172 1.1921 1.1921 1.4692 1.4692 1.5153 1.5153 1.5516 1.5516 1.6250 1.6250 1.6436 1.6436 4.8807 4.8807 5.2952 5.2952 5.3405 5.3405 5.4293 5.4293 5.5053 5.5053 5.6200 5.6200 5.7939 5.7939 5.9383 5.9383 6.6165 6.6165 7.4474 7.4474 k = 0.1905 0.5000 0.1905 ( 5690 PWs) bands (ev): -20.4587 -20.4587 -17.6503 -17.6503 -17.5966 -17.5966 -17.5059 -17.5059 -15.7246 -15.7246 -15.6331 -15.6331 -15.6328 -15.6328 -7.3242 -7.3242 -7.2584 -7.2584 -6.7481 -6.7481 -5.2119 -5.2119 -4.4941 -4.4941 -4.3142 -4.3142 -3.4464 -3.4464 -3.3849 -3.3849 -3.2356 -3.2356 -2.7751 -2.7751 -2.7472 -2.7472 -2.7062 -2.7062 -2.6105 -2.6105 -2.5112 -2.5112 -2.2223 -2.2223 -1.4346 -1.4346 -1.1850 -1.1850 -1.1197 -1.1197 -0.8642 -0.8642 -0.6377 -0.6377 1.2216 1.2216 1.4790 1.4790 1.5301 1.5301 1.5525 1.5525 1.6331 1.6331 1.6486 1.6486 4.8536 4.8536 5.2806 5.2806 5.3199 5.3199 5.4166 5.4166 5.5038 5.5038 5.6115 5.6115 5.7717 5.7717 5.8978 5.8978 6.6029 6.6029 7.4307 7.4307 k = 0.1786 0.5000 0.1786 ( 5694 PWs) bands (ev): -20.4591 -20.4591 -17.6551 -17.6551 -17.5986 -17.5986 -17.5037 -17.5037 -15.7237 -15.7237 -15.6280 -15.6280 -15.6279 -15.6279 -7.3477 -7.3477 -7.2773 -7.2773 -6.7495 -6.7495 -5.2097 -5.2097 -4.4899 -4.4899 -4.3033 -4.3033 -3.4585 -3.4585 -3.3837 -3.3837 -3.2260 -3.2260 -2.7685 -2.7685 -2.7191 -2.7191 -2.6838 -2.6838 -2.5945 -2.5945 -2.5104 -2.5104 -2.1882 -2.1882 -1.4637 -1.4637 -1.1944 -1.1944 -1.1238 -1.1238 -0.8868 -0.8868 -0.6577 -0.6577 1.2498 1.2498 1.4880 1.4880 1.5432 1.5432 1.5538 1.5538 1.6389 1.6389 1.6550 1.6550 4.8265 4.8265 5.2667 5.2667 5.2994 5.2994 5.4032 5.4032 5.5030 5.5030 5.6008 5.6008 5.7553 5.7553 5.8589 5.8589 6.5885 6.5885 7.4154 7.4154 k = 0.1667 0.5000 0.1667 ( 5680 PWs) bands (ev): -20.4595 -20.4595 -17.6597 -17.6597 -17.6005 -17.6005 -17.5017 -17.5017 -15.7228 -15.7228 -15.6232 -15.6232 -15.6231 -15.6231 -7.3700 -7.3700 -7.2951 -7.2951 -6.7509 -6.7509 -5.2080 -5.2080 -4.4866 -4.4866 -4.2929 -4.2929 -3.4703 -3.4703 -3.3825 -3.3825 -3.2166 -3.2166 -2.7669 -2.7669 -2.6865 -2.6865 -2.6621 -2.6621 -2.5774 -2.5774 -2.5093 -2.5093 -2.1557 -2.1557 -1.4908 -1.4908 -1.2038 -1.2038 -1.1272 -1.1272 -0.9093 -0.9093 -0.6770 -0.6770 1.2765 1.2765 1.4961 1.4961 1.5490 1.5490 1.5612 1.5612 1.6435 1.6435 1.6618 1.6618 4.7995 4.7995 5.2534 5.2534 5.2792 5.2792 5.3890 5.3890 5.5029 5.5029 5.5884 5.5884 5.7442 5.7442 5.8216 5.8216 6.5737 6.5737 7.4016 7.4016 k = 0.1548 0.5000 0.1548 ( 5694 PWs) bands (ev): -20.4599 -20.4599 -17.6642 -17.6642 -17.6023 -17.6023 -17.4997 -17.4997 -15.7220 -15.7220 -15.6188 -15.6188 -15.6184 -15.6184 -7.3910 -7.3910 -7.3117 -7.3117 -6.7522 -6.7522 -5.2068 -5.2068 -4.4841 -4.4841 -4.2832 -4.2832 -3.4817 -3.4817 -3.3814 -3.3814 -3.2078 -3.2078 -2.7665 -2.7665 -2.6543 -2.6543 -2.6406 -2.6406 -2.5598 -2.5598 -2.5079 -2.5079 -2.1255 -2.1255 -1.5152 -1.5152 -1.2131 -1.2131 -1.1299 -1.1299 -0.9317 -0.9317 -0.6955 -0.6955 1.3016 1.3016 1.5034 1.5034 1.5485 1.5485 1.5735 1.5735 1.6480 1.6480 1.6683 1.6683 4.7729 4.7729 5.2407 5.2407 5.2595 5.2595 5.3743 5.3743 5.5034 5.5034 5.5752 5.5752 5.7371 5.7371 5.7863 5.7863 6.5585 6.5585 7.3892 7.3892 k = 0.1429 0.5000 0.1429 ( 5690 PWs) bands (ev): -20.4602 -20.4602 -17.6684 -17.6684 -17.6040 -17.6040 -17.4978 -17.4978 -15.7213 -15.7213 -15.6146 -15.6146 -15.6140 -15.6140 -7.4107 -7.4107 -7.3271 -7.3271 -6.7534 -6.7534 -5.2061 -5.2061 -4.4823 -4.4823 -4.2741 -4.2741 -3.4925 -3.4925 -3.3804 -3.3804 -3.1992 -3.1992 -2.7664 -2.7664 -2.6268 -2.6268 -2.6158 -2.6158 -2.5421 -2.5421 -2.5060 -2.5060 -2.0984 -2.0984 -1.5360 -1.5360 -1.2223 -1.2223 -1.1321 -1.1321 -0.9543 -0.9543 -0.7131 -0.7131 1.3249 1.3249 1.5098 1.5098 1.5465 1.5465 1.5858 1.5858 1.6527 1.6527 1.6741 1.6741 4.7470 4.7470 5.2278 5.2278 5.2411 5.2411 5.3591 5.3591 5.5044 5.5044 5.5622 5.5622 5.7326 5.7326 5.7534 5.7534 6.5433 6.5433 7.3781 7.3781 k = 0.1310 0.5000 0.1310 ( 5686 PWs) bands (ev): -20.4606 -20.4606 -17.6723 -17.6723 -17.6055 -17.6055 -17.4960 -17.4960 -15.7205 -15.7205 -15.6107 -15.6107 -15.6099 -15.6099 -7.4289 -7.4289 -7.3413 -7.3413 -6.7545 -6.7545 -5.2058 -5.2058 -4.4810 -4.4810 -4.2655 -4.2655 -3.5027 -3.5027 -3.3794 -3.3794 -3.1912 -3.1912 -2.7663 -2.7663 -2.6058 -2.6058 -2.5867 -2.5867 -2.5253 -2.5253 -2.5028 -2.5028 -2.0751 -2.0751 -1.5524 -1.5524 -1.2314 -1.2314 -1.1339 -1.1339 -0.9768 -0.9768 -0.7296 -0.7296 1.3463 1.3463 1.5154 1.5154 1.5437 1.5437 1.5974 1.5974 1.6578 1.6578 1.6791 1.6791 4.7220 4.7220 5.2134 5.2134 5.2258 5.2258 5.3437 5.3437 5.5058 5.5058 5.5501 5.5501 5.7199 5.7199 5.7333 5.7333 6.5283 6.5283 7.3684 7.3684 k = 0.1190 0.5000 0.1190 ( 5682 PWs) bands (ev): -20.4609 -20.4609 -17.6759 -17.6759 -17.6070 -17.6070 -17.4943 -17.4943 -15.7199 -15.7199 -15.6070 -15.6070 -15.6060 -15.6060 -7.4458 -7.4458 -7.3543 -7.3543 -6.7556 -6.7556 -5.2058 -5.2058 -4.4801 -4.4801 -4.2576 -4.2576 -3.5123 -3.5123 -3.3785 -3.3785 -3.1837 -3.1837 -2.7663 -2.7663 -2.5868 -2.5868 -2.5585 -2.5585 -2.5116 -2.5116 -2.4959 -2.4959 -2.0566 -2.0566 -1.5636 -1.5636 -1.2401 -1.2401 -1.1355 -1.1355 -0.9993 -0.9993 -0.7449 -0.7449 1.3656 1.3656 1.5203 1.5203 1.5405 1.5405 1.6084 1.6084 1.6631 1.6631 1.6835 1.6835 4.6982 4.6982 5.1970 5.1970 5.2142 5.2142 5.3285 5.3285 5.5075 5.5075 5.5392 5.5392 5.6921 5.6921 5.7319 5.7319 6.5136 6.5136 7.3598 7.3598 k = 0.1071 0.5000 0.1071 ( 5702 PWs) bands (ev): -20.4612 -20.4612 -17.6793 -17.6793 -17.6083 -17.6083 -17.4928 -17.4928 -15.7192 -15.7192 -15.6037 -15.6037 -15.6025 -15.6025 -7.4611 -7.4611 -7.3661 -7.3661 -6.7566 -6.7566 -5.2061 -5.2061 -4.4795 -4.4795 -4.2502 -4.2502 -3.5212 -3.5212 -3.3778 -3.3778 -3.1770 -3.1770 -2.7664 -2.7664 -2.5686 -2.5686 -2.5346 -2.5346 -2.5018 -2.5018 -2.4835 -2.4835 -2.0434 -2.0434 -1.5690 -1.5690 -1.2484 -1.2484 -1.1372 -1.1372 -1.0216 -1.0216 -0.7589 -0.7589 1.3829 1.3829 1.5245 1.5245 1.5370 1.5370 1.6186 1.6186 1.6683 1.6683 1.6875 1.6875 4.6758 4.6758 5.1801 5.1801 5.2048 5.2048 5.3138 5.3138 5.5094 5.5094 5.5297 5.5297 5.6660 5.6660 5.7323 5.7323 6.4995 6.4995 7.3523 7.3523 k = 0.0952 0.5000 0.0952 ( 5706 PWs) bands (ev): -20.4615 -20.4615 -17.6823 -17.6823 -17.6094 -17.6094 -17.4914 -17.4914 -15.7187 -15.7187 -15.6007 -15.6007 -15.5993 -15.5993 -7.4750 -7.4750 -7.3766 -7.3766 -6.7575 -6.7575 -5.2066 -5.2066 -4.4792 -4.4792 -4.2436 -4.2436 -3.5293 -3.5293 -3.3771 -3.3771 -3.1707 -3.1707 -2.7665 -2.7665 -2.5508 -2.5508 -2.5196 -2.5196 -2.4884 -2.4884 -2.4690 -2.4690 -2.0357 -2.0357 -1.5682 -1.5682 -1.2562 -1.2562 -1.1395 -1.1395 -1.0432 -1.0432 -0.7716 -0.7716 1.3980 1.3980 1.5274 1.5274 1.5341 1.5341 1.6279 1.6279 1.6731 1.6731 1.6912 1.6912 4.6550 4.6550 5.1640 5.1640 5.1968 5.1968 5.2998 5.2998 5.5114 5.5114 5.5214 5.5214 5.6423 5.6423 5.7334 5.7334 6.4863 6.4863 7.3459 7.3459 k = 0.0833 0.5000 0.0833 ( 5702 PWs) bands (ev): -20.4617 -20.4617 -17.6850 -17.6850 -17.6105 -17.6105 -17.4901 -17.4901 -15.7181 -15.7181 -15.5980 -15.5980 -15.5964 -15.5964 -7.4873 -7.4873 -7.3859 -7.3859 -6.7583 -6.7583 -5.2073 -5.2073 -4.4791 -4.4791 -4.2376 -4.2376 -3.5366 -3.5366 -3.3765 -3.3765 -3.1651 -3.1651 -2.7665 -2.7665 -2.5339 -2.5339 -2.5127 -2.5127 -2.4708 -2.4708 -2.4542 -2.4542 -2.0330 -2.0330 -1.5619 -1.5619 -1.2634 -1.2634 -1.1430 -1.1430 -1.0634 -1.0634 -0.7828 -0.7828 1.4109 1.4109 1.5272 1.5272 1.5342 1.5342 1.6364 1.6364 1.6770 1.6770 1.6951 1.6951 4.6362 4.6362 5.1491 5.1491 5.1900 5.1900 5.2869 5.2869 5.5130 5.5130 5.5151 5.5151 5.6212 5.6212 5.7348 5.7348 6.4742 6.4742 7.3405 7.3405 k = 0.0714 0.5000 0.0714 ( 5674 PWs) bands (ev): -20.4619 -20.4619 -17.6874 -17.6874 -17.6113 -17.6113 -17.4890 -17.4890 -15.7177 -15.7177 -15.5957 -15.5957 -15.5939 -15.5939 -7.4980 -7.4980 -7.3940 -7.3940 -6.7590 -6.7590 -5.2080 -5.2080 -4.4791 -4.4791 -4.2324 -4.2324 -3.5430 -3.5430 -3.3759 -3.3759 -3.1601 -3.1601 -2.7664 -2.7664 -2.5191 -2.5191 -2.5073 -2.5073 -2.4550 -2.4550 -2.4389 -2.4389 -2.0345 -2.0345 -1.5509 -1.5509 -1.2698 -1.2698 -1.1489 -1.1489 -1.0807 -1.0807 -0.7926 -0.7926 1.4216 1.4216 1.5245 1.5245 1.5365 1.5365 1.6440 1.6440 1.6798 1.6798 1.6991 1.6991 4.6194 4.6194 5.1357 5.1357 5.1842 5.1842 5.2753 5.2753 5.5084 5.5084 5.5162 5.5162 5.6027 5.6027 5.7364 5.7364 6.4632 6.4632 7.3359 7.3359 k = 0.0595 0.5000 0.0595 ( 5686 PWs) bands (ev): -20.4621 -20.4621 -17.6894 -17.6894 -17.6121 -17.6121 -17.4881 -17.4881 -15.7173 -15.7173 -15.5937 -15.5937 -15.5917 -15.5917 -7.5071 -7.5071 -7.4008 -7.4008 -6.7596 -6.7596 -5.2087 -5.2087 -4.4792 -4.4792 -4.2279 -4.2279 -3.5485 -3.5485 -3.3755 -3.3755 -3.1559 -3.1559 -2.7665 -2.7665 -2.5119 -2.5119 -2.4966 -2.4966 -2.4436 -2.4436 -2.4234 -2.4234 -2.0389 -2.0389 -1.5366 -1.5366 -1.2755 -1.2755 -1.1582 -1.1582 -1.0937 -1.0937 -0.8009 -0.8009 1.4302 1.4302 1.5218 1.5218 1.5390 1.5390 1.6506 1.6506 1.6815 1.6815 1.7031 1.7031 4.6049 4.6049 5.1239 5.1239 5.1793 5.1793 5.2651 5.2651 5.5037 5.5037 5.5183 5.5183 5.5867 5.5867 5.7379 5.7379 6.4537 6.4537 7.3321 7.3321 k = 0.0476 0.5000 0.0476 ( 5694 PWs) bands (ev): -20.4622 -20.4622 -17.6911 -17.6911 -17.6127 -17.6127 -17.4873 -17.4873 -15.7170 -15.7170 -15.5921 -15.5921 -15.5900 -15.5900 -7.5146 -7.5146 -7.4064 -7.4064 -6.7601 -6.7601 -5.2094 -5.2094 -4.4793 -4.4793 -4.2242 -4.2242 -3.5531 -3.5531 -3.3751 -3.3751 -3.1525 -3.1525 -2.7666 -2.7666 -2.5096 -2.5096 -2.4827 -2.4827 -2.4359 -2.4359 -2.4092 -2.4092 -2.0448 -2.0448 -1.5208 -1.5208 -1.2802 -1.2802 -1.1707 -1.1707 -1.1021 -1.1021 -0.8078 -0.8078 1.4367 1.4367 1.5196 1.5196 1.5412 1.5412 1.6563 1.6563 1.6823 1.6823 1.7069 1.7069 4.5929 4.5929 5.1140 5.1140 5.1754 5.1754 5.2566 5.2566 5.4999 5.4999 5.5205 5.5205 5.5734 5.5734 5.7394 5.7394 6.4456 6.4456 7.3291 7.3291 k = 0.0357 0.5000 0.0357 ( 5696 PWs) bands (ev): -20.4624 -20.4624 -17.6924 -17.6924 -17.6132 -17.6132 -17.4867 -17.4867 -15.7167 -15.7167 -15.5908 -15.5908 -15.5886 -15.5886 -7.5204 -7.5204 -7.4107 -7.4107 -6.7604 -6.7604 -5.2099 -5.2099 -4.4794 -4.4794 -4.2213 -4.2213 -3.5567 -3.5567 -3.3748 -3.3748 -3.1498 -3.1498 -2.7666 -2.7666 -2.5084 -2.5084 -2.4694 -2.4694 -2.4315 -2.4315 -2.3976 -2.3976 -2.0509 -2.0509 -1.5053 -1.5053 -1.2840 -1.2840 -1.1846 -1.1846 -1.1069 -1.1069 -0.8131 -0.8131 1.4415 1.4415 1.5179 1.5179 1.5430 1.5430 1.6611 1.6611 1.6824 1.6824 1.7102 1.7102 4.5833 4.5833 5.1061 5.1061 5.1724 5.1724 5.2499 5.2499 5.4971 5.4971 5.5226 5.5226 5.5627 5.5627 5.7406 5.7406 6.4392 6.4392 7.3269 7.3269 k = 0.0238 0.5000 0.0238 ( 5710 PWs) bands (ev): -20.4625 -20.4625 -17.6934 -17.6934 -17.6136 -17.6136 -17.4862 -17.4862 -15.7165 -15.7165 -15.5899 -15.5899 -15.5876 -15.5876 -7.5246 -7.5246 -7.4138 -7.4138 -6.7607 -6.7607 -5.2104 -5.2104 -4.4795 -4.4795 -4.2192 -4.2192 -3.5593 -3.5593 -3.3746 -3.3746 -3.1479 -3.1479 -2.7666 -2.7666 -2.5077 -2.5077 -2.4578 -2.4578 -2.4300 -2.4300 -2.3890 -2.3890 -2.0561 -2.0561 -1.4919 -1.4919 -1.2867 -1.2867 -1.1971 -1.1971 -1.1094 -1.1094 -0.8169 -0.8169 1.4446 1.4446 1.5167 1.5167 1.5443 1.5443 1.6648 1.6648 1.6821 1.6821 1.7126 1.7126 4.5765 4.5765 5.1004 5.1004 5.1703 5.1703 5.2450 5.2450 5.4951 5.4951 5.5246 5.5246 5.5546 5.5546 5.7415 5.7415 6.4346 6.4346 7.3253 7.3253 k = 0.0119 0.5000 0.0119 ( 5702 PWs) bands (ev): -20.4625 -20.4625 -17.6939 -17.6939 -17.6138 -17.6138 -17.4860 -17.4860 -15.7164 -15.7164 -15.5893 -15.5893 -15.5870 -15.5870 -7.5271 -7.5271 -7.4156 -7.4156 -6.7609 -6.7609 -5.2106 -5.2106 -4.4796 -4.4796 -4.2179 -4.2179 -3.5609 -3.5609 -3.3745 -3.3745 -3.1467 -3.1467 -2.7666 -2.7666 -2.5073 -2.5073 -2.4489 -2.4489 -2.4308 -2.4308 -2.3837 -2.3837 -2.0596 -2.0596 -1.4829 -1.4829 -1.2884 -1.2884 -1.2058 -1.2058 -1.1106 -1.1106 -0.8191 -0.8191 1.4464 1.4464 1.5160 1.5160 1.5451 1.5451 1.6672 1.6672 1.6817 1.6817 1.7142 1.7142 4.5723 4.5723 5.0969 5.0969 5.1690 5.1690 5.2420 5.2420 5.4939 5.4939 5.5262 5.5262 5.5493 5.5493 5.7420 5.7420 6.4318 6.4318 7.3243 7.3243 k = 0.0000 0.5000-0.0000 ( 5702 PWs) bands (ev): -20.4625 -20.4625 -17.6941 -17.6941 -17.6138 -17.6138 -17.4859 -17.4859 -15.7164 -15.7164 -15.5891 -15.5891 -15.5868 -15.5868 -7.5280 -7.5280 -7.4163 -7.4163 -6.7609 -6.7609 -5.2107 -5.2107 -4.4796 -4.4796 -4.2175 -4.2175 -3.5614 -3.5614 -3.3745 -3.3745 -3.1463 -3.1463 -2.7666 -2.7666 -2.5072 -2.5072 -2.4450 -2.4450 -2.4320 -2.4320 -2.3819 -2.3819 -2.0609 -2.0609 -1.4796 -1.4796 -1.2889 -1.2889 -1.2089 -1.2089 -1.1109 -1.1109 -0.8199 -0.8199 1.4470 1.4470 1.5158 1.5158 1.5454 1.5454 1.6680 1.6680 1.6815 1.6815 1.7147 1.7147 4.5709 4.5709 5.0958 5.0958 5.1686 5.1686 5.2410 5.2410 5.4935 5.4935 5.5269 5.5269 5.5474 5.5474 5.7422 5.7422 6.4308 6.4308 7.3240 7.3240 k = 0.5000 0.5000-0.0000 ( 5712 PWs) bands (ev): -20.4563 -20.4563 -17.6197 -17.6197 -17.5556 -17.5556 -17.5550 -17.5550 -15.7294 -15.7294 -15.7263 -15.7263 -15.5876 -15.5876 -7.5286 -7.5286 -6.7519 -6.7519 -6.7324 -6.7324 -5.2347 -5.2347 -4.5632 -4.5632 -4.2900 -4.2900 -3.6490 -3.6490 -3.4255 -3.4255 -3.3088 -3.3088 -3.1349 -3.1349 -2.7943 -2.7943 -2.7421 -2.7421 -2.5151 -2.5151 -2.4149 -2.4149 -1.8470 -1.8470 -1.5899 -1.5899 -1.2610 -1.2610 -1.1168 -1.1168 -1.1019 -1.1019 -0.3043 -0.3043 1.1968 1.1968 1.2624 1.2624 1.3833 1.3833 1.6455 1.6455 1.6778 1.6778 1.7586 1.7586 5.0038 5.0038 5.2922 5.2922 5.3303 5.3303 5.3626 5.3626 5.5217 5.5217 5.6071 5.6071 5.8690 5.8690 6.4001 6.4001 6.5914 6.5914 7.6819 7.6819 k = 0.5000 0.5000 0.0167 ( 5704 PWs) bands (ev): -20.4563 -20.4563 -17.6195 -17.6195 -17.5556 -17.5556 -17.5550 -17.5550 -15.7294 -15.7294 -15.7264 -15.7264 -15.5880 -15.5880 -7.5269 -7.5269 -6.7519 -6.7519 -6.7323 -6.7323 -5.2351 -5.2351 -4.5638 -4.5638 -4.2909 -4.2909 -3.6475 -3.6475 -3.4255 -3.4255 -3.3089 -3.3089 -3.1350 -3.1350 -2.7942 -2.7942 -2.7421 -2.7421 -2.5152 -2.5152 -2.4173 -2.4173 -1.8621 -1.8621 -1.5740 -1.5740 -1.2601 -1.2601 -1.1164 -1.1164 -1.1013 -1.1013 -0.3042 -0.3042 1.1939 1.1939 1.2623 1.2623 1.3850 1.3850 1.6444 1.6444 1.6766 1.6766 1.7579 1.7579 5.0046 5.0046 5.2932 5.2932 5.3311 5.3311 5.3646 5.3646 5.5219 5.5219 5.6072 5.6072 5.8700 5.8700 6.4008 6.4008 6.5918 6.5918 7.6822 7.6822 k = 0.5000 0.5000 0.0333 ( 5696 PWs) bands (ev): -20.4563 -20.4563 -17.6190 -17.6190 -17.5555 -17.5555 -17.5549 -17.5549 -15.7295 -15.7295 -15.7265 -15.7265 -15.5892 -15.5892 -7.5218 -7.5218 -6.7516 -6.7516 -6.7322 -6.7322 -5.2361 -5.2361 -4.5657 -4.5657 -4.2936 -4.2936 -3.6429 -3.6429 -3.4254 -3.4254 -3.3094 -3.3094 -3.1353 -3.1353 -2.7937 -2.7937 -2.7421 -2.7421 -2.5153 -2.5153 -2.4247 -2.4247 -1.8998 -1.8998 -1.5344 -1.5344 -1.2577 -1.2577 -1.1154 -1.1154 -1.0997 -1.0997 -0.3039 -0.3039 1.1855 1.1855 1.2619 1.2619 1.3896 1.3896 1.6411 1.6411 1.6732 1.6732 1.7558 1.7558 5.0068 5.0068 5.2963 5.2963 5.3333 5.3333 5.3705 5.3705 5.5225 5.5225 5.6074 5.6074 5.8732 5.8732 6.4029 6.4029 6.5928 6.5928 7.6832 7.6832 k = 0.5000 0.5000 0.0500 ( 5720 PWs) bands (ev): -20.4562 -20.4562 -17.6181 -17.6181 -17.5554 -17.5554 -17.5548 -17.5548 -15.7297 -15.7297 -15.7267 -15.7267 -15.5913 -15.5913 -7.5134 -7.5134 -6.7512 -6.7512 -6.7320 -6.7320 -5.2377 -5.2377 -4.5688 -4.5688 -4.2980 -4.2980 -3.6355 -3.6355 -3.4255 -3.4255 -3.3103 -3.3103 -3.1358 -3.1358 -2.7931 -2.7931 -2.7422 -2.7422 -2.5157 -2.5157 -2.4367 -2.4367 -1.9483 -1.9483 -1.4825 -1.4825 -1.2537 -1.2537 -1.1136 -1.1136 -1.0970 -1.0970 -0.3034 -0.3034 1.1723 1.1723 1.2612 1.2612 1.3965 1.3965 1.6357 1.6357 1.6674 1.6674 1.7524 1.7524 5.0105 5.0105 5.3014 5.3014 5.3370 5.3370 5.3800 5.3800 5.5235 5.5235 5.6077 5.6077 5.8786 5.8786 6.4062 6.4062 6.5944 6.5944 7.6848 7.6848 k = 0.5000 0.5000 0.0667 ( 5716 PWs) bands (ev): -20.4561 -20.4561 -17.6168 -17.6168 -17.5553 -17.5553 -17.5547 -17.5547 -15.7299 -15.7299 -15.7270 -15.7270 -15.5942 -15.5942 -7.5016 -7.5016 -6.7506 -6.7506 -6.7318 -6.7318 -5.2401 -5.2401 -4.5731 -4.5731 -4.3040 -4.3040 -3.6253 -3.6253 -3.4255 -3.4255 -3.3115 -3.3115 -3.1365 -3.1365 -2.7920 -2.7920 -2.7423 -2.7423 -2.5165 -2.5165 -2.4530 -2.4530 -2.0013 -2.0013 -1.4249 -1.4249 -1.2479 -1.2479 -1.1111 -1.1111 -1.0932 -1.0932 -0.3027 -0.3027 1.1553 1.1553 1.2603 1.2603 1.4049 1.4049 1.6282 1.6282 1.6595 1.6595 1.7477 1.7477 5.0155 5.0155 5.3084 5.3084 5.3420 5.3420 5.3928 5.3928 5.5250 5.5250 5.6082 5.6082 5.8864 5.8864 6.4110 6.4110 6.5967 6.5967 7.6870 7.6870 k = 0.5000 0.5000 0.0833 ( 5720 PWs) bands (ev): -20.4560 -20.4560 -17.6152 -17.6152 -17.5551 -17.5551 -17.5545 -17.5545 -15.7302 -15.7302 -15.7273 -15.7273 -15.5978 -15.5978 -7.4866 -7.4866 -6.7498 -6.7498 -6.7315 -6.7315 -5.2430 -5.2430 -4.5784 -4.5784 -4.3117 -4.3117 -3.6126 -3.6126 -3.4255 -3.4255 -3.3130 -3.3130 -3.1374 -3.1374 -2.7908 -2.7908 -2.7425 -2.7425 -2.5181 -2.5181 -2.4728 -2.4728 -2.0559 -2.0559 -1.3649 -1.3649 -1.2400 -1.2400 -1.1079 -1.1079 -1.0886 -1.0886 -0.3018 -0.3018 1.1351 1.1351 1.2591 1.2591 1.4140 1.4140 1.6187 1.6187 1.6493 1.6493 1.7417 1.7417 5.0219 5.0219 5.3173 5.3173 5.3485 5.3485 5.4086 5.4086 5.5268 5.5268 5.6089 5.6089 5.8968 5.8968 6.4170 6.4170 6.5996 6.5996 7.6899 7.6899 k = 0.5000 0.5000 0.1000 ( 5708 PWs) bands (ev): -20.4559 -20.4559 -17.6133 -17.6133 -17.5549 -17.5549 -17.5543 -17.5543 -15.7305 -15.7305 -15.7278 -15.7278 -15.6021 -15.6021 -7.4684 -7.4684 -6.7489 -6.7489 -6.7311 -6.7311 -5.2465 -5.2465 -4.5847 -4.5847 -4.3209 -4.3209 -3.5976 -3.5976 -3.4254 -3.4254 -3.3149 -3.3149 -3.1385 -3.1385 -2.7893 -2.7893 -2.7426 -2.7426 -2.5232 -2.5232 -2.4930 -2.4930 -2.1106 -2.1106 -1.3054 -1.3054 -1.2288 -1.2288 -1.1040 -1.1040 -1.0832 -1.0832 -0.3007 -0.3007 1.1125 1.1125 1.2576 1.2576 1.4234 1.4234 1.6072 1.6072 1.6372 1.6372 1.7346 1.7346 5.0296 5.0296 5.3279 5.3279 5.3563 5.3563 5.4265 5.4265 5.5290 5.5290 5.6097 5.6097 5.9102 5.9102 6.4244 6.4244 6.6030 6.6030 7.6935 7.6935 k = 0.5000 0.5000 0.1167 ( 5712 PWs) bands (ev): -20.4557 -20.4557 -17.6110 -17.6110 -17.5546 -17.5546 -17.5541 -17.5541 -15.7309 -15.7309 -15.7283 -15.7283 -15.6071 -15.6071 -7.4472 -7.4472 -6.7478 -6.7478 -6.7307 -6.7307 -5.2507 -5.2507 -4.5918 -4.5918 -4.3317 -4.3317 -3.5806 -3.5806 -3.4254 -3.4254 -3.3173 -3.3173 -3.1397 -3.1397 -2.7876 -2.7876 -2.7429 -2.7429 -2.5398 -2.5398 -2.5053 -2.5053 -2.1645 -2.1645 -1.2540 -1.2540 -1.2075 -1.2075 -1.0995 -1.0995 -1.0770 -1.0770 -0.2995 -0.2995 1.0878 1.0878 1.2560 1.2560 1.4326 1.4326 1.5940 1.5940 1.6231 1.6231 1.7265 1.7265 5.0384 5.0384 5.3400 5.3400 5.3653 5.3653 5.4461 5.4461 5.5316 5.5316 5.6107 5.6107 5.9269 5.9269 6.4329 6.4329 6.6069 6.6069 7.6978 7.6978 k = 0.5000 0.5000 0.1333 ( 5708 PWs) bands (ev): -20.4555 -20.4555 -17.6085 -17.6085 -17.5544 -17.5544 -17.5538 -17.5538 -15.7314 -15.7314 -15.7288 -15.7288 -15.6127 -15.6127 -7.4230 -7.4230 -6.7466 -6.7466 -6.7302 -6.7302 -5.2554 -5.2554 -4.5997 -4.5997 -4.3438 -4.3438 -3.5620 -3.5620 -3.4253 -3.4253 -3.3200 -3.3200 -3.1410 -3.1410 -2.7857 -2.7857 -2.7431 -2.7431 -2.5680 -2.5680 -2.5091 -2.5091 -2.2173 -2.2173 -1.2262 -1.2262 -1.1612 -1.1612 -1.0943 -1.0943 -1.0701 -1.0701 -0.2980 -0.2980 1.0615 1.0615 1.2541 1.2541 1.4416 1.4416 1.5790 1.5790 1.6073 1.6073 1.7174 1.7174 5.0481 5.0481 5.3536 5.3536 5.3755 5.3755 5.4665 5.4665 5.5345 5.5345 5.6119 5.6119 5.9471 5.9471 6.4426 6.4426 6.6112 6.6112 7.7028 7.7028 k = 0.5000 0.5000 0.1500 ( 5708 PWs) bands (ev): -20.4554 -20.4554 -17.6057 -17.6057 -17.5541 -17.5541 -17.5535 -17.5535 -15.7319 -15.7319 -15.7294 -15.7294 -15.6189 -15.6189 -7.3960 -7.3960 -6.7453 -6.7453 -6.7296 -6.7296 -5.2605 -5.2605 -4.6081 -4.6081 -4.3574 -4.3574 -3.5420 -3.5420 -3.4253 -3.4253 -3.3232 -3.3232 -3.1424 -3.1424 -2.7837 -2.7837 -2.7434 -2.7434 -2.6012 -2.6012 -2.5104 -2.5104 -2.2684 -2.2684 -1.2103 -1.2103 -1.1030 -1.1030 -1.0883 -1.0883 -1.0624 -1.0624 -0.2964 -0.2964 1.0338 1.0338 1.2520 1.2520 1.4501 1.4501 1.5624 1.5624 1.5897 1.5897 1.7074 1.7074 5.0588 5.0588 5.3682 5.3682 5.3869 5.3869 5.4869 5.4869 5.5379 5.5379 5.6132 5.6132 5.9712 5.9712 6.4534 6.4534 6.6159 6.6159 7.7086 7.7086 k = 0.5000 0.5000 0.1667 ( 5708 PWs) bands (ev): -20.4552 -20.4552 -17.6026 -17.6026 -17.5537 -17.5537 -17.5532 -17.5532 -15.7324 -15.7324 -15.7301 -15.7301 -15.6256 -15.6256 -7.3663 -7.3663 -6.7439 -6.7439 -6.7290 -6.7290 -5.2662 -5.2662 -4.6170 -4.6170 -4.3723 -4.3723 -3.5210 -3.5210 -3.4253 -3.4253 -3.3268 -3.3268 -3.1440 -3.1440 -2.7815 -2.7815 -2.7438 -2.7438 -2.6373 -2.6373 -2.5110 -2.5110 -2.3177 -2.3177 -1.1960 -1.1960 -1.0825 -1.0825 -1.0584 -1.0584 -1.0376 -1.0376 -0.2947 -0.2947 1.0049 1.0049 1.2498 1.2498 1.4580 1.4580 1.5444 1.5444 1.5707 1.5707 1.6967 1.6967 5.0702 5.0702 5.3838 5.3838 5.3994 5.3994 5.5065 5.5065 5.5417 5.5417 5.6148 5.6148 5.9994 5.9994 6.4653 6.4653 6.6208 6.6208 7.7151 7.7151 k = 0.5000 0.5000 0.1833 ( 5708 PWs) bands (ev): -20.4550 -20.4550 -17.5994 -17.5994 -17.5534 -17.5534 -17.5529 -17.5529 -15.7330 -15.7330 -15.7308 -15.7308 -15.6328 -15.6328 -7.3341 -7.3341 -6.7423 -6.7423 -6.7284 -6.7284 -5.2724 -5.2724 -4.6263 -4.6263 -4.3886 -4.3886 -3.4992 -3.4992 -3.4253 -3.4253 -3.3308 -3.3308 -3.1455 -3.1455 -2.7793 -2.7793 -2.7443 -2.7443 -2.6750 -2.6750 -2.5112 -2.5112 -2.3648 -2.3648 -1.1816 -1.1816 -1.0756 -1.0756 -1.0489 -1.0489 -0.9781 -0.9781 -0.2929 -0.2929 0.9752 0.9752 1.2474 1.2474 1.4653 1.4653 1.5252 1.5252 1.5505 1.5505 1.6854 1.6854 5.0823 5.0823 5.3997 5.3997 5.4132 5.4132 5.5244 5.5244 5.5465 5.5465 5.6166 5.6166 6.0317 6.0317 6.4780 6.4780 6.6259 6.6259 7.7224 7.7224 k = 0.5000 0.5000 0.2000 ( 5712 PWs) bands (ev): -20.4547 -20.4547 -17.5960 -17.5960 -17.5530 -17.5530 -17.5525 -17.5525 -15.7336 -15.7336 -15.7316 -15.7316 -15.6402 -15.6402 -7.2996 -7.2996 -6.7407 -6.7407 -6.7277 -6.7277 -5.2789 -5.2789 -4.6357 -4.6357 -4.4063 -4.4063 -3.4771 -3.4771 -3.4253 -3.4253 -3.3354 -3.3354 -3.1471 -3.1471 -2.7772 -2.7772 -2.7453 -2.7453 -2.7132 -2.7132 -2.5115 -2.5115 -2.4096 -2.4096 -1.1666 -1.1666 -1.0682 -1.0682 -1.0408 -1.0408 -0.9178 -0.9178 -0.2910 -0.2910 0.9447 0.9447 1.2449 1.2449 1.4716 1.4716 1.5052 1.5052 1.5291 1.5291 1.6737 1.6737 5.0948 5.0948 5.4156 5.4156 5.4283 5.4283 5.5386 5.5386 5.5536 5.5536 5.6186 5.6186 6.0680 6.0680 6.4916 6.4916 6.6312 6.6312 7.7305 7.7305 k = 0.5000 0.5000 0.2167 ( 5700 PWs) bands (ev): -20.4545 -20.4545 -17.5924 -17.5924 -17.5526 -17.5526 -17.5522 -17.5522 -15.7342 -15.7342 -15.7323 -15.7323 -15.6480 -15.6480 -7.2631 -7.2631 -6.7391 -6.7391 -6.7270 -6.7270 -5.2859 -5.2859 -4.6453 -4.6453 -4.4252 -4.4252 -3.4549 -3.4549 -3.4252 -3.4252 -3.3403 -3.3403 -3.1486 -3.1486 -2.7755 -2.7755 -2.7568 -2.7568 -2.7409 -2.7409 -2.5120 -2.5120 -2.4514 -2.4514 -1.1512 -1.1512 -1.0605 -1.0605 -1.0328 -1.0328 -0.8584 -0.8584 -0.2889 -0.2889 0.9139 0.9139 1.2424 1.2424 1.4748 1.4748 1.4867 1.4867 1.5071 1.5071 1.6616 1.6616 5.1076 5.1076 5.4312 5.4312 5.4448 5.4448 5.5472 5.5472 5.5648 5.5648 5.6207 5.6207 6.1079 6.1079 6.5058 6.5058 6.6365 6.6365 7.7395 7.7395 k = 0.5000 0.5000 0.2333 ( 5716 PWs) bands (ev): -20.4543 -20.4543 -17.5887 -17.5887 -17.5523 -17.5523 -17.5518 -17.5518 -15.7348 -15.7348 -15.7331 -15.7331 -15.6559 -15.6559 -7.2248 -7.2248 -6.7374 -6.7374 -6.7263 -6.7263 -5.2932 -5.2932 -4.6548 -4.6548 -4.4455 -4.4455 -3.4330 -3.4330 -3.4252 -3.4252 -3.3457 -3.3457 -3.1499 -3.1499 -2.7957 -2.7957 -2.7715 -2.7715 -2.7437 -2.7437 -2.5152 -2.5152 -2.4880 -2.4880 -1.1353 -1.1353 -1.0524 -1.0524 -1.0249 -1.0249 -0.8004 -0.8004 -0.2869 -0.2869 0.8828 0.8828 1.2397 1.2397 1.4597 1.4597 1.4802 1.4802 1.4894 1.4894 1.6493 1.6493 5.1205 5.1205 5.4463 5.4463 5.4623 5.4623 5.5527 5.5527 5.5774 5.5774 5.6231 5.6231 6.1508 6.1508 6.5206 6.5206 6.6418 6.6418 7.7492 7.7492 k = 0.5000 0.5000 0.2500 ( 5716 PWs) bands (ev): -20.4540 -20.4540 -17.5850 -17.5850 -17.5519 -17.5519 -17.5514 -17.5514 -15.7354 -15.7354 -15.7339 -15.7339 -15.6639 -15.6639 -7.1850 -7.1850 -6.7356 -6.7356 -6.7256 -6.7256 -5.3008 -5.3008 -4.6642 -4.6642 -4.4670 -4.4670 -3.4254 -3.4254 -3.4115 -3.4115 -3.3515 -3.3515 -3.1511 -3.1511 -2.8337 -2.8337 -2.7698 -2.7698 -2.7444 -2.7444 -2.5359 -2.5359 -2.5043 -2.5043 -1.1190 -1.1190 -1.0440 -1.0440 -1.0170 -1.0170 -0.7441 -0.7441 -0.2847 -0.2847 0.8518 0.8518 1.2370 1.2370 1.4379 1.4379 1.4590 1.4590 1.4915 1.4915 1.6370 1.6370 5.1334 5.1334 5.4611 5.4611 5.4805 5.4805 5.5574 5.5574 5.5893 5.5893 5.6255 5.6255 6.1962 6.1962 6.5358 6.5358 6.6471 6.6471 7.7598 7.7598 k = 0.5000 0.5000 0.2667 ( 5708 PWs) bands (ev): -20.4538 -20.4538 -17.5813 -17.5813 -17.5515 -17.5515 -17.5510 -17.5510 -15.7361 -15.7361 -15.7347 -15.7347 -15.6720 -15.6720 -7.1440 -7.1440 -6.7339 -6.7339 -6.7249 -6.7249 -5.3088 -5.3088 -4.6734 -4.6734 -4.4895 -4.4895 -3.4254 -3.4254 -3.3912 -3.3912 -3.3576 -3.3576 -3.1520 -3.1520 -2.8710 -2.8710 -2.7678 -2.7678 -2.7449 -2.7449 -2.5682 -2.5682 -2.5062 -2.5062 -1.1026 -1.1026 -1.0354 -1.0354 -1.0094 -1.0094 -0.6896 -0.6896 -0.2826 -0.2826 0.8209 0.8209 1.2343 1.2343 1.4155 1.4155 1.4354 1.4354 1.4957 1.4957 1.6247 1.6247 5.1462 5.1462 5.4757 5.4757 5.4988 5.4988 5.5618 5.5618 5.5998 5.5998 5.6281 5.6281 6.2432 6.2432 6.5511 6.5511 6.6522 6.6522 7.7711 7.7711 k = 0.5000 0.5000 0.2833 ( 5708 PWs) bands (ev): -20.4535 -20.4535 -17.5775 -17.5775 -17.5511 -17.5511 -17.5507 -17.5507 -15.7367 -15.7367 -15.7355 -15.7355 -15.6800 -15.6800 -7.1021 -7.1021 -6.7322 -6.7322 -6.7242 -6.7242 -5.3170 -5.3170 -4.6823 -4.6823 -4.5131 -4.5131 -3.4254 -3.4254 -3.3723 -3.3723 -3.3640 -3.3640 -3.1525 -3.1525 -2.9067 -2.9067 -2.7661 -2.7661 -2.7452 -2.7452 -2.5995 -2.5995 -2.5061 -2.5061 -1.0860 -1.0860 -1.0266 -1.0266 -1.0020 -1.0020 -0.6373 -0.6373 -0.2804 -0.2804 0.7906 0.7906 1.2317 1.2317 1.3929 1.3929 1.4115 1.4115 1.4997 1.4997 1.6126 1.6126 5.1587 5.1587 5.4900 5.4900 5.5169 5.5169 5.5661 5.5661 5.6091 5.6091 5.6308 5.6308 6.2912 6.2912 6.5665 6.5665 6.6572 6.6572 7.7830 7.7830 k = 0.5000 0.5000 0.3000 ( 5700 PWs) bands (ev): -20.4533 -20.4533 -17.5738 -17.5738 -17.5507 -17.5507 -17.5503 -17.5503 -15.7373 -15.7373 -15.7362 -15.7362 -15.6878 -15.6878 -7.0598 -7.0598 -6.7305 -6.7305 -6.7235 -6.7235 -5.3254 -5.3254 -4.6908 -4.6908 -4.5373 -4.5373 -3.4255 -3.4255 -3.3706 -3.3706 -3.3553 -3.3553 -3.1523 -3.1523 -2.9402 -2.9402 -2.7646 -2.7646 -2.7455 -2.7455 -2.6283 -2.6283 -2.5056 -2.5056 -1.0697 -1.0697 -1.0178 -1.0178 -0.9950 -0.9950 -0.5873 -0.5873 -0.2783 -0.2783 0.7611 0.7611 1.2291 1.2291 1.3706 1.3706 1.3878 1.3878 1.5034 1.5034 1.6009 1.6009 5.1708 5.1708 5.5040 5.5040 5.5347 5.5347 5.5702 5.5702 5.6171 5.6171 5.6336 5.6336 6.3393 6.3393 6.5818 6.5818 6.6620 6.6620 7.7956 7.7956 k = 0.5000 0.5000 0.3167 ( 5716 PWs) bands (ev): -20.4531 -20.4531 -17.5703 -17.5703 -17.5504 -17.5504 -17.5499 -17.5499 -15.7379 -15.7379 -15.7370 -15.7370 -15.6953 -15.6953 -7.0175 -7.0175 -6.7288 -6.7288 -6.7228 -6.7228 -5.3341 -5.3341 -4.6988 -4.6988 -4.5621 -4.5621 -3.4256 -3.4256 -3.3775 -3.3775 -3.3406 -3.3406 -3.1513 -3.1513 -2.9710 -2.9710 -2.7636 -2.7636 -2.7458 -2.7458 -2.6542 -2.6542 -2.5050 -2.5050 -1.0536 -1.0536 -1.0090 -1.0090 -0.9882 -0.9882 -0.5400 -0.5400 -0.2763 -0.2763 0.7325 0.7325 1.2265 1.2265 1.3487 1.3487 1.3645 1.3645 1.5066 1.5066 1.5896 1.5896 5.1823 5.1823 5.5174 5.5174 5.5518 5.5518 5.5742 5.5742 5.6241 5.6241 5.6363 5.6363 6.3867 6.3867 6.5967 6.5967 6.6665 6.6665 7.8086 7.8086 k = 0.5000 0.5000 0.3333 ( 5716 PWs) bands (ev): -20.4529 -20.4529 -17.5668 -17.5668 -17.5501 -17.5501 -17.5496 -17.5496 -15.7385 -15.7385 -15.7377 -15.7377 -15.7025 -15.7025 -6.9757 -6.9757 -6.7272 -6.7272 -6.7222 -6.7222 -5.3428 -5.3428 -4.7064 -4.7064 -4.5869 -4.5869 -3.4256 -3.4256 -3.3842 -3.3842 -3.3287 -3.3287 -3.1494 -3.1494 -2.9988 -2.9988 -2.7634 -2.7634 -2.7458 -2.7458 -2.6771 -2.6771 -2.5043 -2.5043 -1.0381 -1.0381 -1.0005 -1.0005 -0.9819 -0.9819 -0.4956 -0.4956 -0.2743 -0.2743 0.7053 0.7053 1.2241 1.2241 1.3277 1.3277 1.3419 1.3419 1.5095 1.5095 1.5788 1.5788 5.1931 5.1931 5.5302 5.5302 5.5681 5.5681 5.5781 5.5781 5.6301 5.6301 5.6390 5.6390 6.4327 6.4327 6.6110 6.6110 6.6708 6.6708 7.8219 7.8219 k = 0.5000 0.5000 0.3500 ( 5724 PWs) bands (ev): -20.4527 -20.4527 -17.5636 -17.5636 -17.5497 -17.5497 -17.5493 -17.5493 -15.7390 -15.7390 -15.7383 -15.7383 -15.7094 -15.7094 -6.9349 -6.9349 -6.7257 -6.7257 -6.7215 -6.7215 -5.3517 -5.3517 -4.7134 -4.7134 -4.6115 -4.6115 -3.4257 -3.4257 -3.3909 -3.3909 -3.3197 -3.3197 -3.1464 -3.1464 -3.0233 -3.0233 -2.7643 -2.7643 -2.7458 -2.7458 -2.6965 -2.6965 -2.5035 -2.5035 -1.0232 -1.0232 -0.9922 -0.9922 -0.9761 -0.9761 -0.4543 -0.4543 -0.2724 -0.2724 0.6795 0.6795 1.2218 1.2218 1.3076 1.3076 1.3203 1.3203 1.5121 1.5121 1.5688 1.5688 5.2032 5.2032 5.5423 5.5423 5.5816 5.5816 5.5835 5.5835 5.6352 5.6352 5.6417 5.6417 6.4767 6.4767 6.6246 6.6246 6.6747 6.6747 7.8353 7.8353 k = 0.5000 0.5000 0.3667 ( 5724 PWs) bands (ev): -20.4525 -20.4525 -17.5605 -17.5605 -17.5494 -17.5494 -17.5490 -17.5490 -15.7395 -15.7395 -15.7390 -15.7390 -15.7157 -15.7157 -6.8957 -6.8957 -6.7244 -6.7244 -6.7210 -6.7210 -5.3605 -5.3605 -4.7197 -4.7197 -4.6355 -4.6355 -3.4258 -3.4258 -3.3974 -3.3974 -3.3139 -3.3139 -3.1423 -3.1423 -3.0444 -3.0444 -2.7666 -2.7666 -2.7455 -2.7455 -2.7122 -2.7122 -2.5027 -2.5027 -1.0092 -1.0092 -0.9843 -0.9843 -0.9707 -0.9707 -0.4163 -0.4163 -0.2707 -0.2707 0.6556 0.6556 1.2196 1.2196 1.2888 1.2888 1.2999 1.2999 1.5142 1.5142 1.5595 1.5595 5.2124 5.2124 5.5535 5.5535 5.5850 5.5850 5.5976 5.5976 5.6395 5.6395 5.6443 5.6443 6.5179 6.5179 6.6373 6.6373 6.6784 6.6784 7.8485 7.8485 k = 0.5000 0.5000 0.3833 ( 5724 PWs) bands (ev): -20.4523 -20.4523 -17.5578 -17.5578 -17.5492 -17.5492 -17.5487 -17.5487 -15.7400 -15.7400 -15.7395 -15.7395 -15.7214 -15.7214 -6.8587 -6.8587 -6.7231 -6.7231 -6.7204 -6.7204 -5.3691 -5.3691 -4.7254 -4.7254 -4.6582 -4.6582 -3.4258 -3.4258 -3.4034 -3.4034 -3.3109 -3.3109 -3.1373 -3.1373 -3.0621 -3.0621 -2.7710 -2.7710 -2.7450 -2.7450 -2.7238 -2.7238 -2.5019 -2.5019 -0.9964 -0.9964 -0.9769 -0.9769 -0.9658 -0.9658 -0.3819 -0.3819 -0.2690 -0.2690 0.6338 0.6338 1.2176 1.2176 1.2715 1.2715 1.2811 1.2811 1.5161 1.5161 1.5510 1.5510 5.2207 5.2207 5.5637 5.5637 5.5882 5.5882 5.6104 5.6104 5.6432 5.6432 5.6468 5.6468 6.5557 6.5557 6.6489 6.6489 6.6818 6.6818 7.8613 7.8613 k = 0.5000 0.5000 0.4000 ( 5732 PWs) bands (ev): -20.4522 -20.4522 -17.5553 -17.5553 -17.5489 -17.5489 -17.5485 -17.5485 -15.7404 -15.7404 -15.7400 -15.7400 -15.7266 -15.7266 -6.8247 -6.8247 -6.7220 -6.7220 -6.7200 -6.7200 -5.3773 -5.3773 -4.7305 -4.7305 -4.6792 -4.6792 -3.4259 -3.4259 -3.4091 -3.4091 -3.3102 -3.3102 -3.1318 -3.1318 -3.0764 -3.0764 -2.7771 -2.7771 -2.7444 -2.7444 -2.7315 -2.7315 -2.5012 -2.5012 -0.9848 -0.9848 -0.9703 -0.9703 -0.9615 -0.9615 -0.3515 -0.3515 -0.2676 -0.2676 0.6142 0.6142 1.2158 1.2158 1.2559 1.2559 1.2641 1.2641 1.5177 1.5177 1.5435 1.5435 5.2281 5.2281 5.5728 5.5728 5.5909 5.5909 5.6218 5.6218 5.6461 5.6461 5.6490 5.6490 6.5895 6.5895 6.6593 6.6593 6.6850 6.6850 7.8733 7.8733 k = 0.5000 0.5000 0.4167 ( 5724 PWs) bands (ev): -20.4520 -20.4520 -17.5531 -17.5531 -17.5487 -17.5487 -17.5483 -17.5483 -15.7407 -15.7407 -15.7404 -15.7404 -15.7310 -15.7310 -6.7943 -6.7943 -6.7210 -6.7210 -6.7195 -6.7195 -5.3850 -5.3850 -4.7348 -4.7348 -4.6980 -4.6980 -3.4260 -3.4260 -3.4139 -3.4139 -3.3113 -3.3113 -3.1263 -3.1263 -3.0878 -3.0878 -2.7841 -2.7841 -2.7438 -2.7438 -2.7360 -2.7360 -2.5005 -2.5005 -0.9747 -0.9747 -0.9644 -0.9644 -0.9577 -0.9577 -0.3252 -0.3252 -0.2663 -0.2663 0.5972 0.5972 1.2141 1.2141 1.2423 1.2423 1.2493 1.2493 1.5190 1.5190 1.5370 1.5370 5.2343 5.2343 5.5806 5.5806 5.5934 5.5934 5.6316 5.6316 5.6486 5.6486 5.6511 5.6511 6.6187 6.6187 6.6683 6.6683 6.6879 6.6879 7.8842 7.8842 k = 0.5000 0.5000 0.4333 ( 5732 PWs) bands (ev): -20.4519 -20.4519 -17.5513 -17.5513 -17.5485 -17.5485 -17.5481 -17.5481 -15.7411 -15.7411 -15.7408 -15.7408 -15.7347 -15.7347 -6.7681 -6.7681 -6.7202 -6.7202 -6.7192 -6.7192 -5.3918 -5.3918 -4.7383 -4.7383 -4.7142 -4.7142 -3.4261 -3.4261 -3.4182 -3.4182 -3.3132 -3.3132 -3.1211 -3.1211 -3.0965 -3.0965 -2.7908 -2.7908 -2.7433 -2.7433 -2.7388 -2.7388 -2.5000 -2.5000 -0.9663 -0.9663 -0.9595 -0.9595 -0.9545 -0.9545 -0.3033 -0.3033 -0.2653 -0.2653 0.5830 0.5830 1.2125 1.2125 1.2310 1.2310 1.2369 1.2369 1.5201 1.5201 1.5317 1.5317 5.2395 5.2395 5.5872 5.5872 5.5954 5.5954 5.6397 5.6397 5.6506 5.6506 5.6529 5.6529 6.6427 6.6427 6.6760 6.6760 6.6906 6.6906 7.8937 7.8937 k = 0.5000 0.5000 0.4500 ( 5732 PWs) bands (ev): -20.4519 -20.4519 -17.5500 -17.5500 -17.5483 -17.5483 -17.5479 -17.5479 -15.7413 -15.7413 -15.7410 -15.7410 -15.7377 -15.7377 -6.7470 -6.7470 -6.7196 -6.7196 -6.7189 -6.7189 -5.3975 -5.3975 -4.7411 -4.7411 -4.7273 -4.7273 -3.4261 -3.4261 -3.4216 -3.4216 -3.3155 -3.3155 -3.1167 -3.1167 -3.1029 -3.1029 -2.7965 -2.7965 -2.7428 -2.7428 -2.7404 -2.7404 -2.4995 -2.4995 -0.9596 -0.9596 -0.9558 -0.9558 -0.9517 -0.9517 -0.2860 -0.2860 -0.2645 -0.2645 0.5718 0.5718 1.2108 1.2108 1.2224 1.2224 1.2270 1.2270 1.5209 1.5209 1.5274 1.5274 5.2436 5.2436 5.5924 5.5924 5.5970 5.5970 5.6459 5.6459 5.6523 5.6523 5.6543 5.6543 6.6605 6.6605 6.6829 6.6829 6.6931 6.6931 7.9015 7.9015 k = 0.5000 0.5000 0.4667 ( 5732 PWs) bands (ev): -20.4518 -20.4518 -17.5490 -17.5490 -17.5481 -17.5481 -17.5478 -17.5478 -15.7415 -15.7415 -15.7412 -15.7412 -15.7398 -15.7398 -6.7314 -6.7314 -6.7192 -6.7192 -6.7186 -6.7186 -5.4019 -5.4019 -4.7431 -4.7431 -4.7369 -4.7369 -3.4261 -3.4261 -3.4241 -3.4241 -3.3175 -3.3175 -3.1134 -3.1134 -3.1072 -3.1072 -2.8007 -2.8007 -2.7424 -2.7424 -2.7414 -2.7414 -2.4992 -2.4992 -0.9549 -0.9549 -0.9532 -0.9532 -0.9494 -0.9494 -0.2735 -0.2735 -0.2638 -0.2638 0.5636 0.5636 1.2085 1.2085 1.2171 1.2171 1.2199 1.2199 1.5214 1.5214 1.5243 1.5243 5.2465 5.2465 5.5961 5.5961 5.5982 5.5982 5.6499 5.6499 5.6539 5.6539 5.6554 5.6554 6.6714 6.6714 6.6897 6.6897 6.6953 6.6953 7.9073 7.9073 k = 0.5000 0.5000 0.4833 ( 5740 PWs) bands (ev): -20.4518 -20.4518 -17.5486 -17.5486 -17.5479 -17.5479 -17.5478 -17.5478 -15.7416 -15.7416 -15.7413 -15.7413 -15.7410 -15.7410 -6.7219 -6.7219 -6.7190 -6.7190 -6.7184 -6.7184 -5.4046 -5.4046 -4.7443 -4.7443 -4.7427 -4.7427 -3.4262 -3.4262 -3.4256 -3.4256 -3.3189 -3.3189 -3.1113 -3.1113 -3.1097 -3.1097 -2.8033 -2.8033 -2.7422 -2.7422 -2.7419 -2.7419 -2.4990 -2.4990 -0.9522 -0.9522 -0.9518 -0.9518 -0.9477 -0.9477 -0.2659 -0.2659 -0.2635 -0.2635 0.5587 0.5587 1.2062 1.2062 1.2148 1.2148 1.2156 1.2156 1.5218 1.5218 1.5225 1.5225 5.2482 5.2482 5.5984 5.5984 5.5989 5.5989 5.6517 5.6517 5.6555 5.6555 5.6560 5.6560 6.6764 6.6764 6.6952 6.6952 6.6967 6.6967 7.9108 7.9108 k = 0.5000 0.5000 0.5000 ( 5832 PWs) bands (ev): -20.4518 -20.4518 -17.5485 -17.5485 -17.5478 -17.5478 -17.5478 -17.5478 -15.7418 -15.7418 -15.7414 -15.7414 -15.7414 -15.7414 -6.7192 -6.7192 -6.7184 -6.7184 -6.7184 -6.7184 -5.4055 -5.4055 -4.7447 -4.7447 -4.7447 -4.7447 -3.4265 -3.4265 -3.4265 -3.4265 -3.3194 -3.3194 -3.1106 -3.1106 -3.1106 -3.1106 -2.8042 -2.8042 -2.7424 -2.7424 -2.7424 -2.7424 -2.4993 -2.4993 -0.9513 -0.9513 -0.9513 -0.9513 -0.9472 -0.9472 -0.2635 -0.2635 -0.2635 -0.2635 0.5570 0.5570 1.2052 1.2052 1.2142 1.2142 1.2142 1.2142 1.5218 1.5218 1.5218 1.5218 5.2487 5.2487 5.5991 5.5991 5.5991 5.5991 5.6521 5.6521 5.6561 5.6561 5.6561 5.6561 6.6777 6.6777 6.6971 6.6971 6.6971 6.6971 7.9120 7.9120 Writing output data file RbCdxNO2x3.save init_run : 0.74s CPU 1.22s WALL ( 1 calls) electrons : 210.79s CPU 214.14s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.10s WALL ( 1 calls) potinit : 0.05s CPU 0.15s WALL ( 1 calls) Called by electrons: c_bands : 210.78s CPU 214.13s 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 : 0.20s CPU 0.31s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.10s WALL ( 231 calls) cegterg : 192.14s CPU 194.22s WALL ( 231 calls) Called by sum_band: Called by *egterg: h_psi : 115.05s CPU 116.44s WALL ( 3207 calls) s_psi : 7.19s CPU 7.21s WALL ( 3207 calls) g_psi : 0.30s CPU 0.35s WALL ( 2745 calls) cdiaghg : 57.95s CPU 58.57s WALL ( 2976 calls) cegterg:over : 11.60s CPU 11.44s WALL ( 2745 calls) cegterg:upda : 7.98s CPU 8.38s WALL ( 2745 calls) cegterg:last : 4.95s CPU 4.98s WALL ( 693 calls) cdiaghg:chol : 3.29s CPU 3.53s WALL ( 2976 calls) cdiaghg:inve : 2.60s CPU 2.59s WALL ( 2976 calls) cdiaghg:para : 4.60s CPU 4.74s WALL ( 5952 calls) Called by h_psi: h_psi:vloc : 98.58s CPU 99.62s WALL ( 3207 calls) h_psi:vnl : 16.09s CPU 16.45s WALL ( 3207 calls) add_vuspsi : 7.92s CPU 8.10s WALL ( 3207 calls) General routines calbec : 8.14s CPU 8.34s WALL ( 3207 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 87.69s CPU 88.69s WALL ( 837256 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.22s CPU 0.35s WALL ( 462 calls) Parallel routines fft_scatter : 29.40s CPU 29.81s WALL ( 837279 calls) PWSCF : 3m53.45s CPU 4m14.65s WALL This run was terminated on: 16:57:20 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=