Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 19:41:15 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: ./RbHgxNO2x3.save/ file Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 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 97 44 12 4341 1312 204 Max 98 45 13 4346 1331 211 Sum 3521 1597 465 156363 47497 7441 bravais-lattice index = 14 lattice parameter (alat) = 10.2990 a.u. unit-cell volume = 1092.4109 (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 = 416.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.299007 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 Hg read from file: /users/gautes/Pseudo/Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: a7fd98bfb2640362c6e2ed76594f1960 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 1279 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 Hg 12.00 200.59000 Hg( 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= 225 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044444 k( 2) = ( 0.0000000 0.0172414 -0.0000000), wk = 0.0044444 k( 3) = ( 0.0000000 0.0344828 -0.0000000), wk = 0.0044444 k( 4) = ( 0.0000000 0.0517241 -0.0000000), wk = 0.0044444 k( 5) = ( 0.0000000 0.0689655 -0.0000000), wk = 0.0044444 k( 6) = ( 0.0000000 0.0862069 -0.0000000), wk = 0.0044444 k( 7) = ( 0.0000000 0.1034483 -0.0000000), wk = 0.0044444 k( 8) = ( 0.0000000 0.1206897 -0.0000000), wk = 0.0044444 k( 9) = ( 0.0000000 0.1379310 -0.0000000), wk = 0.0044444 k( 10) = ( 0.0000000 0.1551724 -0.0000000), wk = 0.0044444 k( 11) = ( 0.0000000 0.1724138 -0.0000000), wk = 0.0044444 k( 12) = ( 0.0000000 0.1896552 -0.0000000), wk = 0.0044444 k( 13) = ( 0.0000000 0.2068966 -0.0000000), wk = 0.0044444 k( 14) = ( 0.0000000 0.2241379 -0.0000000), wk = 0.0044444 k( 15) = ( 0.0000000 0.2413793 -0.0000000), wk = 0.0044444 k( 16) = ( 0.0000000 0.2586207 -0.0000000), wk = 0.0044444 k( 17) = ( 0.0000000 0.2758621 -0.0000000), wk = 0.0044444 k( 18) = ( 0.0000000 0.2931034 -0.0000000), wk = 0.0044444 k( 19) = ( 0.0000000 0.3103448 -0.0000000), wk = 0.0044444 k( 20) = ( 0.0000000 0.3275862 -0.0000000), wk = 0.0044444 k( 21) = ( 0.0000000 0.3448276 -0.0000000), wk = 0.0044444 k( 22) = ( 0.0000000 0.3620690 -0.0000000), wk = 0.0044444 k( 23) = ( 0.0000000 0.3793103 -0.0000000), wk = 0.0044444 k( 24) = ( 0.0000000 0.3965517 -0.0000000), wk = 0.0044444 k( 25) = ( 0.0000000 0.4137931 -0.0000000), wk = 0.0044444 k( 26) = ( 0.0000000 0.4310345 -0.0000000), wk = 0.0044444 k( 27) = ( 0.0000000 0.4482759 -0.0000000), wk = 0.0044444 k( 28) = ( 0.0000000 0.4655172 -0.0000000), wk = 0.0044444 k( 29) = ( 0.0000000 0.4827586 -0.0000000), wk = 0.0044444 k( 30) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0044444 k( 31) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0044444 k( 32) = ( 0.0172414 0.5000000 -0.0000000), wk = 0.0044444 k( 33) = ( 0.0344828 0.5000000 -0.0000000), wk = 0.0044444 k( 34) = ( 0.0517241 0.5000000 -0.0000000), wk = 0.0044444 k( 35) = ( 0.0689655 0.5000000 -0.0000000), wk = 0.0044444 k( 36) = ( 0.0862069 0.5000000 -0.0000000), wk = 0.0044444 k( 37) = ( 0.1034483 0.5000000 -0.0000000), wk = 0.0044444 k( 38) = ( 0.1206897 0.5000000 -0.0000000), wk = 0.0044444 k( 39) = ( 0.1379310 0.5000000 -0.0000000), wk = 0.0044444 k( 40) = ( 0.1551724 0.5000000 -0.0000000), wk = 0.0044444 k( 41) = ( 0.1724138 0.5000000 -0.0000000), wk = 0.0044444 k( 42) = ( 0.1896552 0.5000000 -0.0000000), wk = 0.0044444 k( 43) = ( 0.2068966 0.5000000 -0.0000000), wk = 0.0044444 k( 44) = ( 0.2241379 0.5000000 -0.0000000), wk = 0.0044444 k( 45) = ( 0.2413793 0.5000000 -0.0000000), wk = 0.0044444 k( 46) = ( 0.2586207 0.5000000 -0.0000000), wk = 0.0044444 k( 47) = ( 0.2758621 0.5000000 -0.0000000), wk = 0.0044444 k( 48) = ( 0.2931034 0.5000000 -0.0000000), wk = 0.0044444 k( 49) = ( 0.3103448 0.5000000 -0.0000000), wk = 0.0044444 k( 50) = ( 0.3275862 0.5000000 -0.0000000), wk = 0.0044444 k( 51) = ( 0.3448276 0.5000000 -0.0000000), wk = 0.0044444 k( 52) = ( 0.3620690 0.5000000 -0.0000000), wk = 0.0044444 k( 53) = ( 0.3793103 0.5000000 -0.0000000), wk = 0.0044444 k( 54) = ( 0.3965517 0.5000000 -0.0000000), wk = 0.0044444 k( 55) = ( 0.4137931 0.5000000 -0.0000000), wk = 0.0044444 k( 56) = ( 0.4310345 0.5000000 -0.0000000), wk = 0.0044444 k( 57) = ( 0.4482759 0.5000000 -0.0000000), wk = 0.0044444 k( 58) = ( 0.4655172 0.5000000 -0.0000000), wk = 0.0044444 k( 59) = ( 0.4827586 0.5000000 -0.0000000), wk = 0.0044444 k( 60) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0044444 k( 61) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0044444 k( 62) = ( 0.4878049 0.4878049 -0.0000000), wk = 0.0044444 k( 63) = ( 0.4756098 0.4756098 -0.0000000), wk = 0.0044444 k( 64) = ( 0.4634146 0.4634146 -0.0000000), wk = 0.0044444 k( 65) = ( 0.4512195 0.4512195 -0.0000000), wk = 0.0044444 k( 66) = ( 0.4390244 0.4390244 -0.0000000), wk = 0.0044444 k( 67) = ( 0.4268293 0.4268293 -0.0000000), wk = 0.0044444 k( 68) = ( 0.4146341 0.4146341 -0.0000000), wk = 0.0044444 k( 69) = ( 0.4024390 0.4024390 -0.0000000), wk = 0.0044444 k( 70) = ( 0.3902439 0.3902439 -0.0000000), wk = 0.0044444 k( 71) = ( 0.3780488 0.3780488 -0.0000000), wk = 0.0044444 k( 72) = ( 0.3658537 0.3658537 -0.0000000), wk = 0.0044444 k( 73) = ( 0.3536585 0.3536585 -0.0000000), wk = 0.0044444 k( 74) = ( 0.3414634 0.3414634 -0.0000000), wk = 0.0044444 k( 75) = ( 0.3292683 0.3292683 -0.0000000), wk = 0.0044444 k( 76) = ( 0.3170732 0.3170732 -0.0000000), wk = 0.0044444 k( 77) = ( 0.3048781 0.3048780 -0.0000000), wk = 0.0044444 k( 78) = ( 0.2926829 0.2926829 -0.0000000), wk = 0.0044444 k( 79) = ( 0.2804878 0.2804878 -0.0000000), wk = 0.0044444 k( 80) = ( 0.2682927 0.2682927 -0.0000000), wk = 0.0044444 k( 81) = ( 0.2560976 0.2560976 -0.0000000), wk = 0.0044444 k( 82) = ( 0.2439024 0.2439024 -0.0000000), wk = 0.0044444 k( 83) = ( 0.2317073 0.2317073 -0.0000000), wk = 0.0044444 k( 84) = ( 0.2195122 0.2195122 -0.0000000), wk = 0.0044444 k( 85) = ( 0.2073171 0.2073171 -0.0000000), wk = 0.0044444 k( 86) = ( 0.1951219 0.1951219 -0.0000000), wk = 0.0044444 k( 87) = ( 0.1829268 0.1829268 -0.0000000), wk = 0.0044444 k( 88) = ( 0.1707317 0.1707317 -0.0000000), wk = 0.0044444 k( 89) = ( 0.1585366 0.1585366 -0.0000000), wk = 0.0044444 k( 90) = ( 0.1463415 0.1463415 -0.0000000), wk = 0.0044444 k( 91) = ( 0.1341463 0.1341463 -0.0000000), wk = 0.0044444 k( 92) = ( 0.1219512 0.1219512 -0.0000000), wk = 0.0044444 k( 93) = ( 0.1097561 0.1097561 -0.0000000), wk = 0.0044444 k( 94) = ( 0.0975610 0.0975610 -0.0000000), wk = 0.0044444 k( 95) = ( 0.0853658 0.0853658 -0.0000000), wk = 0.0044444 k( 96) = ( 0.0731707 0.0731707 -0.0000000), wk = 0.0044444 k( 97) = ( 0.0609756 0.0609756 -0.0000000), wk = 0.0044444 k( 98) = ( 0.0487805 0.0487805 -0.0000000), wk = 0.0044444 k( 99) = ( 0.0365854 0.0365854 -0.0000000), wk = 0.0044444 k( 100) = ( 0.0243902 0.0243902 -0.0000000), wk = 0.0044444 k( 101) = ( 0.0121951 0.0121951 -0.0000000), wk = 0.0044444 k( 102) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044444 k( 103) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044444 k( 104) = ( 0.0100000 0.0100000 0.0100000), wk = 0.0044444 k( 105) = ( 0.0200000 0.0200000 0.0200000), wk = 0.0044444 k( 106) = ( 0.0300000 0.0300000 0.0300000), wk = 0.0044444 k( 107) = ( 0.0400000 0.0400000 0.0400000), wk = 0.0044444 k( 108) = ( 0.0500000 0.0500000 0.0500000), wk = 0.0044444 k( 109) = ( 0.0600000 0.0600000 0.0600000), wk = 0.0044444 k( 110) = ( 0.0700000 0.0700000 0.0700000), wk = 0.0044444 k( 111) = ( 0.0800000 0.0800000 0.0800000), wk = 0.0044444 k( 112) = ( 0.0900000 0.0900000 0.0900000), wk = 0.0044444 k( 113) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0044444 k( 114) = ( 0.1100000 0.1100000 0.1100000), wk = 0.0044444 k( 115) = ( 0.1200000 0.1200000 0.1200000), wk = 0.0044444 k( 116) = ( 0.1300000 0.1300000 0.1300000), wk = 0.0044444 k( 117) = ( 0.1400000 0.1400000 0.1400000), wk = 0.0044444 k( 118) = ( 0.1500000 0.1500000 0.1500000), wk = 0.0044444 k( 119) = ( 0.1600000 0.1600000 0.1600000), wk = 0.0044444 k( 120) = ( 0.1700000 0.1700000 0.1700000), wk = 0.0044444 k( 121) = ( 0.1800000 0.1800000 0.1800000), wk = 0.0044444 k( 122) = ( 0.1900000 0.1900000 0.1900000), wk = 0.0044444 k( 123) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0044444 k( 124) = ( 0.2100000 0.2100000 0.2100000), wk = 0.0044444 k( 125) = ( 0.2200000 0.2200000 0.2200000), wk = 0.0044444 k( 126) = ( 0.2300000 0.2300000 0.2300000), wk = 0.0044444 k( 127) = ( 0.2400000 0.2400000 0.2400000), wk = 0.0044444 k( 128) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0044444 k( 129) = ( 0.2600000 0.2600000 0.2600000), wk = 0.0044444 k( 130) = ( 0.2700000 0.2700000 0.2700000), wk = 0.0044444 k( 131) = ( 0.2800000 0.2800000 0.2800000), wk = 0.0044444 k( 132) = ( 0.2900000 0.2900000 0.2900000), wk = 0.0044444 k( 133) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0044444 k( 134) = ( 0.3100000 0.3100000 0.3100000), wk = 0.0044444 k( 135) = ( 0.3200000 0.3200000 0.3200000), wk = 0.0044444 k( 136) = ( 0.3300000 0.3300000 0.3300000), wk = 0.0044444 k( 137) = ( 0.3400000 0.3400000 0.3400000), wk = 0.0044444 k( 138) = ( 0.3500000 0.3500000 0.3500000), wk = 0.0044444 k( 139) = ( 0.3600000 0.3600000 0.3600000), wk = 0.0044444 k( 140) = ( 0.3700000 0.3700000 0.3700000), wk = 0.0044444 k( 141) = ( 0.3800000 0.3800000 0.3800000), wk = 0.0044444 k( 142) = ( 0.3900000 0.3900000 0.3900000), wk = 0.0044444 k( 143) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0044444 k( 144) = ( 0.4100000 0.4100000 0.4100000), wk = 0.0044444 k( 145) = ( 0.4200000 0.4200000 0.4200000), wk = 0.0044444 k( 146) = ( 0.4300000 0.4300000 0.4300000), wk = 0.0044444 k( 147) = ( 0.4400000 0.4400000 0.4400000), wk = 0.0044444 k( 148) = ( 0.4500000 0.4500000 0.4500000), wk = 0.0044444 k( 149) = ( 0.4600000 0.4600000 0.4600000), wk = 0.0044444 k( 150) = ( 0.4700000 0.4700000 0.4700000), wk = 0.0044444 k( 151) = ( 0.4800000 0.4800000 0.4800000), wk = 0.0044444 k( 152) = ( 0.4900000 0.4900000 0.4900000), wk = 0.0044444 k( 153) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0044444 k( 154) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0044444 k( 155) = ( 0.4878049 0.5000000 0.4878049), wk = 0.0044444 k( 156) = ( 0.4756098 0.5000000 0.4756098), wk = 0.0044444 k( 157) = ( 0.4634146 0.5000000 0.4634146), wk = 0.0044444 k( 158) = ( 0.4512195 0.5000000 0.4512195), wk = 0.0044444 k( 159) = ( 0.4390244 0.5000000 0.4390244), wk = 0.0044444 k( 160) = ( 0.4268293 0.5000000 0.4268293), wk = 0.0044444 k( 161) = ( 0.4146341 0.5000000 0.4146341), wk = 0.0044444 k( 162) = ( 0.4024390 0.5000000 0.4024390), wk = 0.0044444 k( 163) = ( 0.3902439 0.5000000 0.3902439), wk = 0.0044444 k( 164) = ( 0.3780488 0.5000000 0.3780488), wk = 0.0044444 k( 165) = ( 0.3658537 0.5000000 0.3658537), wk = 0.0044444 k( 166) = ( 0.3536585 0.5000000 0.3536585), wk = 0.0044444 k( 167) = ( 0.3414634 0.5000000 0.3414634), wk = 0.0044444 k( 168) = ( 0.3292683 0.5000000 0.3292683), wk = 0.0044444 k( 169) = ( 0.3170732 0.5000000 0.3170732), wk = 0.0044444 k( 170) = ( 0.3048781 0.5000000 0.3048780), wk = 0.0044444 k( 171) = ( 0.2926829 0.5000000 0.2926829), wk = 0.0044444 k( 172) = ( 0.2804878 0.5000000 0.2804878), wk = 0.0044444 k( 173) = ( 0.2682927 0.5000000 0.2682927), wk = 0.0044444 k( 174) = ( 0.2560976 0.5000000 0.2560976), wk = 0.0044444 k( 175) = ( 0.2439024 0.5000000 0.2439024), wk = 0.0044444 k( 176) = ( 0.2317073 0.5000000 0.2317073), wk = 0.0044444 k( 177) = ( 0.2195122 0.5000000 0.2195122), wk = 0.0044444 k( 178) = ( 0.2073171 0.5000000 0.2073171), wk = 0.0044444 k( 179) = ( 0.1951219 0.5000000 0.1951219), wk = 0.0044444 k( 180) = ( 0.1829268 0.5000000 0.1829268), wk = 0.0044444 k( 181) = ( 0.1707317 0.5000000 0.1707317), wk = 0.0044444 k( 182) = ( 0.1585366 0.5000000 0.1585366), wk = 0.0044444 k( 183) = ( 0.1463415 0.5000000 0.1463415), wk = 0.0044444 k( 184) = ( 0.1341463 0.5000000 0.1341463), wk = 0.0044444 k( 185) = ( 0.1219512 0.5000000 0.1219512), wk = 0.0044444 k( 186) = ( 0.1097561 0.5000000 0.1097561), wk = 0.0044444 k( 187) = ( 0.0975610 0.5000000 0.0975610), wk = 0.0044444 k( 188) = ( 0.0853658 0.5000000 0.0853658), wk = 0.0044444 k( 189) = ( 0.0731707 0.5000000 0.0731707), wk = 0.0044444 k( 190) = ( 0.0609756 0.5000000 0.0609756), wk = 0.0044444 k( 191) = ( 0.0487805 0.5000000 0.0487805), wk = 0.0044444 k( 192) = ( 0.0365854 0.5000000 0.0365854), wk = 0.0044444 k( 193) = ( 0.0243902 0.5000000 0.0243902), wk = 0.0044444 k( 194) = ( 0.0121951 0.5000000 0.0121951), wk = 0.0044444 k( 195) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0044444 k( 196) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0044444 k( 197) = ( 0.5000000 0.5000000 0.0172414), wk = 0.0044444 k( 198) = ( 0.5000000 0.5000000 0.0344828), wk = 0.0044444 k( 199) = ( 0.5000000 0.5000000 0.0517241), wk = 0.0044444 k( 200) = ( 0.5000000 0.5000000 0.0689655), wk = 0.0044444 k( 201) = ( 0.5000000 0.5000000 0.0862069), wk = 0.0044444 k( 202) = ( 0.5000000 0.5000000 0.1034483), wk = 0.0044444 k( 203) = ( 0.5000000 0.5000000 0.1206897), wk = 0.0044444 k( 204) = ( 0.5000000 0.5000000 0.1379310), wk = 0.0044444 k( 205) = ( 0.5000000 0.5000000 0.1551724), wk = 0.0044444 k( 206) = ( 0.5000000 0.5000000 0.1724138), wk = 0.0044444 k( 207) = ( 0.5000000 0.5000000 0.1896552), wk = 0.0044444 k( 208) = ( 0.5000000 0.5000000 0.2068965), wk = 0.0044444 k( 209) = ( 0.5000000 0.5000000 0.2241379), wk = 0.0044444 k( 210) = ( 0.5000000 0.5000000 0.2413793), wk = 0.0044444 k( 211) = ( 0.5000000 0.5000000 0.2586207), wk = 0.0044444 k( 212) = ( 0.5000000 0.5000000 0.2758621), wk = 0.0044444 k( 213) = ( 0.5000000 0.5000000 0.2931034), wk = 0.0044444 k( 214) = ( 0.5000000 0.5000000 0.3103448), wk = 0.0044444 k( 215) = ( 0.5000000 0.5000000 0.3275862), wk = 0.0044444 k( 216) = ( 0.5000000 0.5000000 0.3448276), wk = 0.0044444 k( 217) = ( 0.5000000 0.5000000 0.3620690), wk = 0.0044444 k( 218) = ( 0.5000000 0.5000000 0.3793103), wk = 0.0044444 k( 219) = ( 0.5000000 0.5000000 0.3965517), wk = 0.0044444 k( 220) = ( 0.5000000 0.5000000 0.4137931), wk = 0.0044444 k( 221) = ( 0.5000000 0.5000000 0.4310345), wk = 0.0044444 k( 222) = ( 0.5000000 0.5000000 0.4482759), wk = 0.0044444 k( 223) = ( 0.5000000 0.5000000 0.4655172), wk = 0.0044444 k( 224) = ( 0.5000000 0.5000000 0.4827586), wk = 0.0044444 k( 225) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0044444 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044444 k( 2) = ( 0.0000000 0.0172414 0.0000000), wk = 0.0044444 k( 3) = ( 0.0000000 0.0344828 0.0000000), wk = 0.0044444 k( 4) = ( 0.0000000 0.0517241 0.0000000), wk = 0.0044444 k( 5) = ( 0.0000000 0.0689655 0.0000000), wk = 0.0044444 k( 6) = ( 0.0000000 0.0862069 0.0000000), wk = 0.0044444 k( 7) = ( 0.0000000 0.1034483 0.0000000), wk = 0.0044444 k( 8) = ( 0.0000000 0.1206897 0.0000000), wk = 0.0044444 k( 9) = ( 0.0000000 0.1379310 0.0000000), wk = 0.0044444 k( 10) = ( 0.0000000 0.1551724 0.0000000), wk = 0.0044444 k( 11) = ( 0.0000000 0.1724138 0.0000000), wk = 0.0044444 k( 12) = ( 0.0000000 0.1896552 0.0000000), wk = 0.0044444 k( 13) = ( 0.0000000 0.2068966 0.0000000), wk = 0.0044444 k( 14) = ( 0.0000000 0.2241379 0.0000000), wk = 0.0044444 k( 15) = ( 0.0000000 0.2413793 0.0000000), wk = 0.0044444 k( 16) = ( 0.0000000 0.2586207 0.0000000), wk = 0.0044444 k( 17) = ( 0.0000000 0.2758621 0.0000000), wk = 0.0044444 k( 18) = ( 0.0000000 0.2931034 0.0000000), wk = 0.0044444 k( 19) = ( 0.0000000 0.3103448 0.0000000), wk = 0.0044444 k( 20) = ( 0.0000000 0.3275862 0.0000000), wk = 0.0044444 k( 21) = ( 0.0000000 0.3448276 0.0000000), wk = 0.0044444 k( 22) = ( 0.0000000 0.3620690 0.0000000), wk = 0.0044444 k( 23) = ( 0.0000000 0.3793103 0.0000000), wk = 0.0044444 k( 24) = ( 0.0000000 0.3965517 0.0000000), wk = 0.0044444 k( 25) = ( 0.0000000 0.4137931 0.0000000), wk = 0.0044444 k( 26) = ( 0.0000000 0.4310345 0.0000000), wk = 0.0044444 k( 27) = ( 0.0000000 0.4482759 0.0000000), wk = 0.0044444 k( 28) = ( 0.0000000 0.4655172 0.0000000), wk = 0.0044444 k( 29) = ( 0.0000000 0.4827586 0.0000000), wk = 0.0044444 k( 30) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0044444 k( 31) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0044444 k( 32) = ( 0.0172414 0.5000000 0.0000000), wk = 0.0044444 k( 33) = ( 0.0344828 0.5000000 0.0000000), wk = 0.0044444 k( 34) = ( 0.0517241 0.5000000 0.0000000), wk = 0.0044444 k( 35) = ( 0.0689655 0.5000000 0.0000000), wk = 0.0044444 k( 36) = ( 0.0862069 0.5000000 0.0000000), wk = 0.0044444 k( 37) = ( 0.1034483 0.5000000 0.0000000), wk = 0.0044444 k( 38) = ( 0.1206897 0.5000000 0.0000000), wk = 0.0044444 k( 39) = ( 0.1379310 0.5000000 0.0000000), wk = 0.0044444 k( 40) = ( 0.1551724 0.5000000 0.0000000), wk = 0.0044444 k( 41) = ( 0.1724138 0.5000000 0.0000000), wk = 0.0044444 k( 42) = ( 0.1896552 0.5000000 0.0000000), wk = 0.0044444 k( 43) = ( 0.2068966 0.5000000 0.0000000), wk = 0.0044444 k( 44) = ( 0.2241379 0.5000000 0.0000000), wk = 0.0044444 k( 45) = ( 0.2413793 0.5000000 0.0000000), wk = 0.0044444 k( 46) = ( 0.2586207 0.5000000 0.0000000), wk = 0.0044444 k( 47) = ( 0.2758621 0.5000000 0.0000000), wk = 0.0044444 k( 48) = ( 0.2931034 0.5000000 -0.0000000), wk = 0.0044444 k( 49) = ( 0.3103448 0.5000000 0.0000000), wk = 0.0044444 k( 50) = ( 0.3275862 0.5000000 0.0000000), wk = 0.0044444 k( 51) = ( 0.3448276 0.5000000 0.0000000), wk = 0.0044444 k( 52) = ( 0.3620690 0.5000000 0.0000000), wk = 0.0044444 k( 53) = ( 0.3793103 0.5000000 0.0000000), wk = 0.0044444 k( 54) = ( 0.3965517 0.5000000 0.0000000), wk = 0.0044444 k( 55) = ( 0.4137931 0.5000000 0.0000000), wk = 0.0044444 k( 56) = ( 0.4310345 0.5000000 0.0000000), wk = 0.0044444 k( 57) = ( 0.4482759 0.5000000 0.0000000), wk = 0.0044444 k( 58) = ( 0.4655172 0.5000000 0.0000000), wk = 0.0044444 k( 59) = ( 0.4827586 0.5000000 0.0000000), wk = 0.0044444 k( 60) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0044444 k( 61) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0044444 k( 62) = ( 0.4878049 0.4878049 0.0000000), wk = 0.0044444 k( 63) = ( 0.4756098 0.4756098 0.0000000), wk = 0.0044444 k( 64) = ( 0.4634146 0.4634146 0.0000000), wk = 0.0044444 k( 65) = ( 0.4512195 0.4512195 0.0000000), wk = 0.0044444 k( 66) = ( 0.4390244 0.4390244 0.0000000), wk = 0.0044444 k( 67) = ( 0.4268293 0.4268293 0.0000000), wk = 0.0044444 k( 68) = ( 0.4146341 0.4146341 0.0000000), wk = 0.0044444 k( 69) = ( 0.4024390 0.4024390 0.0000000), wk = 0.0044444 k( 70) = ( 0.3902439 0.3902439 0.0000000), wk = 0.0044444 k( 71) = ( 0.3780488 0.3780488 0.0000000), wk = 0.0044444 k( 72) = ( 0.3658537 0.3658537 -0.0000000), wk = 0.0044444 k( 73) = ( 0.3536585 0.3536585 0.0000000), wk = 0.0044444 k( 74) = ( 0.3414634 0.3414634 -0.0000000), wk = 0.0044444 k( 75) = ( 0.3292683 0.3292683 0.0000000), wk = 0.0044444 k( 76) = ( 0.3170732 0.3170732 0.0000000), wk = 0.0044444 k( 77) = ( 0.3048781 0.3048781 -0.0000000), wk = 0.0044444 k( 78) = ( 0.2926829 0.2926829 0.0000000), wk = 0.0044444 k( 79) = ( 0.2804878 0.2804878 -0.0000000), wk = 0.0044444 k( 80) = ( 0.2682927 0.2682927 0.0000000), wk = 0.0044444 k( 81) = ( 0.2560976 0.2560976 0.0000000), wk = 0.0044444 k( 82) = ( 0.2439024 0.2439024 0.0000000), wk = 0.0044444 k( 83) = ( 0.2317073 0.2317073 -0.0000000), wk = 0.0044444 k( 84) = ( 0.2195122 0.2195122 0.0000000), wk = 0.0044444 k( 85) = ( 0.2073171 0.2073171 0.0000000), wk = 0.0044444 k( 86) = ( 0.1951219 0.1951219 0.0000000), wk = 0.0044444 k( 87) = ( 0.1829268 0.1829268 -0.0000000), wk = 0.0044444 k( 88) = ( 0.1707317 0.1707317 0.0000000), wk = 0.0044444 k( 89) = ( 0.1585366 0.1585366 0.0000000), wk = 0.0044444 k( 90) = ( 0.1463415 0.1463415 0.0000000), wk = 0.0044444 k( 91) = ( 0.1341463 0.1341463 0.0000000), wk = 0.0044444 k( 92) = ( 0.1219512 0.1219512 0.0000000), wk = 0.0044444 k( 93) = ( 0.1097561 0.1097561 0.0000000), wk = 0.0044444 k( 94) = ( 0.0975610 0.0975610 -0.0000000), wk = 0.0044444 k( 95) = ( 0.0853658 0.0853658 0.0000000), wk = 0.0044444 k( 96) = ( 0.0731707 0.0731707 0.0000000), wk = 0.0044444 k( 97) = ( 0.0609756 0.0609756 0.0000000), wk = 0.0044444 k( 98) = ( 0.0487805 0.0487805 -0.0000000), wk = 0.0044444 k( 99) = ( 0.0365854 0.0365854 0.0000000), wk = 0.0044444 k( 100) = ( 0.0243902 0.0243902 -0.0000000), wk = 0.0044444 k( 101) = ( 0.0121951 0.0121951 -0.0000000), wk = 0.0044444 k( 102) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044444 k( 103) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044444 k( 104) = ( 0.0100000 0.0100000 0.0100000), wk = 0.0044444 k( 105) = ( 0.0200000 0.0200000 0.0200000), wk = 0.0044444 k( 106) = ( 0.0300000 0.0300000 0.0300000), wk = 0.0044444 k( 107) = ( 0.0400000 0.0400000 0.0400000), wk = 0.0044444 k( 108) = ( 0.0500000 0.0500000 0.0500000), wk = 0.0044444 k( 109) = ( 0.0600000 0.0600000 0.0600000), wk = 0.0044444 k( 110) = ( 0.0700000 0.0700000 0.0700000), wk = 0.0044444 k( 111) = ( 0.0800000 0.0800000 0.0800000), wk = 0.0044444 k( 112) = ( 0.0900000 0.0900000 0.0900000), wk = 0.0044444 k( 113) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0044444 k( 114) = ( 0.1100000 0.1100000 0.1100000), wk = 0.0044444 k( 115) = ( 0.1200000 0.1200000 0.1200000), wk = 0.0044444 k( 116) = ( 0.1300000 0.1300000 0.1300000), wk = 0.0044444 k( 117) = ( 0.1400000 0.1400000 0.1400000), wk = 0.0044444 k( 118) = ( 0.1500000 0.1500000 0.1500000), wk = 0.0044444 k( 119) = ( 0.1600000 0.1600000 0.1600000), wk = 0.0044444 k( 120) = ( 0.1700000 0.1700000 0.1700000), wk = 0.0044444 k( 121) = ( 0.1800000 0.1800000 0.1800000), wk = 0.0044444 k( 122) = ( 0.1900000 0.1900000 0.1900000), wk = 0.0044444 k( 123) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0044444 k( 124) = ( 0.2100000 0.2100000 0.2100000), wk = 0.0044444 k( 125) = ( 0.2200000 0.2200000 0.2200000), wk = 0.0044444 k( 126) = ( 0.2300000 0.2300000 0.2300000), wk = 0.0044444 k( 127) = ( 0.2400000 0.2400000 0.2400000), wk = 0.0044444 k( 128) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0044444 k( 129) = ( 0.2600000 0.2600000 0.2600000), wk = 0.0044444 k( 130) = ( 0.2700000 0.2700000 0.2700000), wk = 0.0044444 k( 131) = ( 0.2800000 0.2800000 0.2800000), wk = 0.0044444 k( 132) = ( 0.2900000 0.2900000 0.2900000), wk = 0.0044444 k( 133) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0044444 k( 134) = ( 0.3100000 0.3100000 0.3100000), wk = 0.0044444 k( 135) = ( 0.3200000 0.3200000 0.3200000), wk = 0.0044444 k( 136) = ( 0.3300000 0.3300000 0.3300000), wk = 0.0044444 k( 137) = ( 0.3400000 0.3400000 0.3400000), wk = 0.0044444 k( 138) = ( 0.3500000 0.3500000 0.3500000), wk = 0.0044444 k( 139) = ( 0.3600000 0.3600000 0.3600000), wk = 0.0044444 k( 140) = ( 0.3700000 0.3700000 0.3700000), wk = 0.0044444 k( 141) = ( 0.3800000 0.3800000 0.3800000), wk = 0.0044444 k( 142) = ( 0.3900000 0.3900000 0.3900000), wk = 0.0044444 k( 143) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0044444 k( 144) = ( 0.4100000 0.4100000 0.4100000), wk = 0.0044444 k( 145) = ( 0.4200000 0.4200000 0.4200000), wk = 0.0044444 k( 146) = ( 0.4300000 0.4300000 0.4300000), wk = 0.0044444 k( 147) = ( 0.4400000 0.4400000 0.4400000), wk = 0.0044444 k( 148) = ( 0.4500000 0.4500000 0.4500000), wk = 0.0044444 k( 149) = ( 0.4600000 0.4600000 0.4600000), wk = 0.0044444 k( 150) = ( 0.4700000 0.4700000 0.4700000), wk = 0.0044444 k( 151) = ( 0.4800000 0.4800000 0.4800000), wk = 0.0044444 k( 152) = ( 0.4900000 0.4900000 0.4900000), wk = 0.0044444 k( 153) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0044444 k( 154) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0044444 k( 155) = ( 0.4878049 0.5000000 0.4878049), wk = 0.0044444 k( 156) = ( 0.4756098 0.5000000 0.4756098), wk = 0.0044444 k( 157) = ( 0.4634146 0.5000000 0.4634146), wk = 0.0044444 k( 158) = ( 0.4512195 0.5000000 0.4512195), wk = 0.0044444 k( 159) = ( 0.4390244 0.5000000 0.4390244), wk = 0.0044444 k( 160) = ( 0.4268293 0.5000000 0.4268293), wk = 0.0044444 k( 161) = ( 0.4146341 0.5000000 0.4146341), wk = 0.0044444 k( 162) = ( 0.4024390 0.5000000 0.4024390), wk = 0.0044444 k( 163) = ( 0.3902439 0.5000000 0.3902439), wk = 0.0044444 k( 164) = ( 0.3780488 0.5000000 0.3780488), wk = 0.0044444 k( 165) = ( 0.3658537 0.5000000 0.3658537), wk = 0.0044444 k( 166) = ( 0.3536585 0.5000000 0.3536585), wk = 0.0044444 k( 167) = ( 0.3414634 0.5000000 0.3414634), wk = 0.0044444 k( 168) = ( 0.3292683 0.5000000 0.3292683), wk = 0.0044444 k( 169) = ( 0.3170732 0.5000000 0.3170732), wk = 0.0044444 k( 170) = ( 0.3048781 0.5000000 0.3048781), wk = 0.0044444 k( 171) = ( 0.2926829 0.5000000 0.2926829), wk = 0.0044444 k( 172) = ( 0.2804878 0.5000000 0.2804878), wk = 0.0044444 k( 173) = ( 0.2682927 0.5000000 0.2682927), wk = 0.0044444 k( 174) = ( 0.2560976 0.5000000 0.2560976), wk = 0.0044444 k( 175) = ( 0.2439024 0.5000000 0.2439024), wk = 0.0044444 k( 176) = ( 0.2317073 0.5000000 0.2317073), wk = 0.0044444 k( 177) = ( 0.2195122 0.5000000 0.2195122), wk = 0.0044444 k( 178) = ( 0.2073171 0.5000000 0.2073171), wk = 0.0044444 k( 179) = ( 0.1951219 0.5000000 0.1951219), wk = 0.0044444 k( 180) = ( 0.1829268 0.5000000 0.1829268), wk = 0.0044444 k( 181) = ( 0.1707317 0.5000000 0.1707317), wk = 0.0044444 k( 182) = ( 0.1585366 0.5000000 0.1585366), wk = 0.0044444 k( 183) = ( 0.1463415 0.5000000 0.1463415), wk = 0.0044444 k( 184) = ( 0.1341463 0.5000000 0.1341463), wk = 0.0044444 k( 185) = ( 0.1219512 0.5000000 0.1219512), wk = 0.0044444 k( 186) = ( 0.1097561 0.5000000 0.1097561), wk = 0.0044444 k( 187) = ( 0.0975610 0.5000000 0.0975610), wk = 0.0044444 k( 188) = ( 0.0853658 0.5000000 0.0853658), wk = 0.0044444 k( 189) = ( 0.0731707 0.5000000 0.0731707), wk = 0.0044444 k( 190) = ( 0.0609756 0.5000000 0.0609756), wk = 0.0044444 k( 191) = ( 0.0487805 0.5000000 0.0487805), wk = 0.0044444 k( 192) = ( 0.0365854 0.5000000 0.0365854), wk = 0.0044444 k( 193) = ( 0.0243902 0.5000000 0.0243902), wk = 0.0044444 k( 194) = ( 0.0121951 0.5000000 0.0121951), wk = 0.0044444 k( 195) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0044444 k( 196) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0044444 k( 197) = ( 0.5000000 0.5000000 0.0172414), wk = 0.0044444 k( 198) = ( 0.5000000 0.5000000 0.0344828), wk = 0.0044444 k( 199) = ( 0.5000000 0.5000000 0.0517241), wk = 0.0044444 k( 200) = ( 0.5000000 0.5000000 0.0689655), wk = 0.0044444 k( 201) = ( 0.5000000 0.5000000 0.0862069), wk = 0.0044444 k( 202) = ( 0.5000000 0.5000000 0.1034483), wk = 0.0044444 k( 203) = ( 0.5000000 0.5000000 0.1206897), wk = 0.0044444 k( 204) = ( 0.5000000 0.5000000 0.1379310), wk = 0.0044444 k( 205) = ( 0.5000000 0.5000000 0.1551724), wk = 0.0044444 k( 206) = ( 0.5000000 0.5000000 0.1724138), wk = 0.0044444 k( 207) = ( 0.5000000 0.5000000 0.1896552), wk = 0.0044444 k( 208) = ( 0.5000000 0.5000000 0.2068966), wk = 0.0044444 k( 209) = ( 0.5000000 0.5000000 0.2241379), wk = 0.0044444 k( 210) = ( 0.5000000 0.5000000 0.2413793), wk = 0.0044444 k( 211) = ( 0.5000000 0.5000000 0.2586207), wk = 0.0044444 k( 212) = ( 0.5000000 0.5000000 0.2758621), wk = 0.0044444 k( 213) = ( 0.5000000 0.5000000 0.2931034), wk = 0.0044444 k( 214) = ( 0.5000000 0.5000000 0.3103448), wk = 0.0044444 k( 215) = ( 0.5000000 0.5000000 0.3275862), wk = 0.0044444 k( 216) = ( 0.5000000 0.5000000 0.3448276), wk = 0.0044444 k( 217) = ( 0.5000000 0.5000000 0.3620690), wk = 0.0044444 k( 218) = ( 0.5000000 0.5000000 0.3793103), wk = 0.0044444 k( 219) = ( 0.5000000 0.5000000 0.3965517), wk = 0.0044444 k( 220) = ( 0.5000000 0.5000000 0.4137931), wk = 0.0044444 k( 221) = ( 0.5000000 0.5000000 0.4310345), wk = 0.0044444 k( 222) = ( 0.5000000 0.5000000 0.4482759), wk = 0.0044444 k( 223) = ( 0.5000000 0.5000000 0.4655172), wk = 0.0044444 k( 224) = ( 0.5000000 0.5000000 0.4827586), wk = 0.0044444 k( 225) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0044444 Dense grid: 156363 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 47497 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.44 Mb ( 334, 86) NL pseudopotentials 0.49 Mb ( 167, 194) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.03 Mb ( 4346) G-vector shells 0.01 Mb ( 743) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.75 Mb ( 334, 344) Each subspace H/S matrix 0.11 Mb ( 86, 86) Each matrix 0.51 Mb ( 194, 2, 86) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./RbHgxNO2x3.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 3.8 secs Computing kpt #: 2 total cpu time spent up to now is 4.9 secs Computing kpt #: 3 total cpu time spent up to now is 5.9 secs Computing kpt #: 4 total cpu time spent up to now is 6.8 secs Computing kpt #: 5 total cpu time spent up to now is 7.8 secs Computing kpt #: 6 total cpu time spent up to now is 8.8 secs Computing kpt #: 7 total cpu time spent up to now is 9.8 secs Computing kpt #: 8 total cpu time spent up to now is 10.9 secs Computing kpt #: 9 total cpu time spent up to now is 11.9 secs Computing kpt #: 10 total cpu time spent up to now is 13.0 secs Computing kpt #: 11 total cpu time spent up to now is 14.1 secs Computing kpt #: 12 total cpu time spent up to now is 15.1 secs Computing kpt #: 13 total cpu time spent up to now is 16.1 secs Computing kpt #: 14 total cpu time spent up to now is 17.2 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 19.4 secs Computing kpt #: 17 total cpu time spent up to now is 20.5 secs Computing kpt #: 18 total cpu time spent up to now is 21.6 secs Computing kpt #: 19 total cpu time spent up to now is 22.6 secs Computing kpt #: 20 total cpu time spent up to now is 23.7 secs Computing kpt #: 21 total cpu time spent up to now is 24.8 secs Computing kpt #: 22 total cpu time spent up to now is 25.9 secs Computing kpt #: 23 total cpu time spent up to now is 27.0 secs Computing kpt #: 24 total cpu time spent up to now is 28.3 secs Computing kpt #: 25 total cpu time spent up to now is 29.6 secs Computing kpt #: 26 total cpu time spent up to now is 30.7 secs Computing kpt #: 27 total cpu time spent up to now is 31.8 secs Computing kpt #: 28 total cpu time spent up to now is 32.8 secs Computing kpt #: 29 total cpu time spent up to now is 33.9 secs Computing kpt #: 30 total cpu time spent up to now is 35.0 secs Computing kpt #: 31 total cpu time spent up to now is 36.1 secs Computing kpt #: 32 total cpu time spent up to now is 37.1 secs Computing kpt #: 33 total cpu time spent up to now is 38.2 secs Computing kpt #: 34 total cpu time spent up to now is 39.3 secs Computing kpt #: 35 total cpu time spent up to now is 40.3 secs Computing kpt #: 36 total cpu time spent up to now is 41.4 secs Computing kpt #: 37 total cpu time spent up to now is 42.5 secs Computing kpt #: 38 total cpu time spent up to now is 43.6 secs Computing kpt #: 39 total cpu time spent up to now is 44.7 secs Computing kpt #: 40 total cpu time spent up to now is 45.8 secs Computing kpt #: 41 total cpu time spent up to now is 46.9 secs Computing kpt #: 42 total cpu time spent up to now is 48.0 secs Computing kpt #: 43 total cpu time spent up to now is 49.1 secs Computing kpt #: 44 total cpu time spent up to now is 50.2 secs Computing kpt #: 45 total cpu time spent up to now is 51.3 secs Computing kpt #: 46 total cpu time spent up to now is 52.4 secs Computing kpt #: 47 total cpu time spent up to now is 53.5 secs Computing kpt #: 48 total cpu time spent up to now is 54.6 secs Computing kpt #: 49 total cpu time spent up to now is 55.7 secs Computing kpt #: 50 total cpu time spent up to now is 56.8 secs Computing kpt #: 51 total cpu time spent up to now is 57.9 secs Computing kpt #: 52 total cpu time spent up to now is 59.0 secs Computing kpt #: 53 total cpu time spent up to now is 60.1 secs Computing kpt #: 54 total cpu time spent up to now is 61.2 secs Computing kpt #: 55 total cpu time spent up to now is 62.3 secs Computing kpt #: 56 total cpu time spent up to now is 63.4 secs Computing kpt #: 57 total cpu time spent up to now is 64.5 secs Computing kpt #: 58 total cpu time spent up to now is 65.5 secs Computing kpt #: 59 total cpu time spent up to now is 66.5 secs Computing kpt #: 60 total cpu time spent up to now is 67.5 secs Computing kpt #: 61 total cpu time spent up to now is 68.5 secs Computing kpt #: 62 total cpu time spent up to now is 69.4 secs Computing kpt #: 63 total cpu time spent up to now is 70.5 secs Computing kpt #: 64 total cpu time spent up to now is 71.6 secs Computing kpt #: 65 total cpu time spent up to now is 72.7 secs Computing kpt #: 66 total cpu time spent up to now is 73.8 secs Computing kpt #: 67 total cpu time spent up to now is 74.9 secs Computing kpt #: 68 total cpu time spent up to now is 76.1 secs Computing kpt #: 69 total cpu time spent up to now is 77.2 secs Computing kpt #: 70 total cpu time spent up to now is 78.3 secs Computing kpt #: 71 total cpu time spent up to now is 79.4 secs Computing kpt #: 72 total cpu time spent up to now is 80.6 secs Computing kpt #: 73 total cpu time spent up to now is 81.7 secs Computing kpt #: 74 total cpu time spent up to now is 82.8 secs Computing kpt #: 75 total cpu time spent up to now is 83.9 secs Computing kpt #: 76 total cpu time spent up to now is 85.1 secs Computing kpt #: 77 total cpu time spent up to now is 86.2 secs Computing kpt #: 78 total cpu time spent up to now is 87.3 secs Computing kpt #: 79 total cpu time spent up to now is 88.4 secs Computing kpt #: 80 total cpu time spent up to now is 89.5 secs Computing kpt #: 81 total cpu time spent up to now is 90.6 secs Computing kpt #: 82 total cpu time spent up to now is 91.8 secs Computing kpt #: 83 total cpu time spent up to now is 92.9 secs Computing kpt #: 84 total cpu time spent up to now is 93.9 secs Computing kpt #: 85 total cpu time spent up to now is 95.0 secs Computing kpt #: 86 total cpu time spent up to now is 96.1 secs Computing kpt #: 87 total cpu time spent up to now is 97.2 secs Computing kpt #: 88 total cpu time spent up to now is 98.3 secs Computing kpt #: 89 total cpu time spent up to now is 99.4 secs Computing kpt #: 90 total cpu time spent up to now is 100.5 secs Computing kpt #: 91 total cpu time spent up to now is 101.5 secs Computing kpt #: 92 total cpu time spent up to now is 102.6 secs Computing kpt #: 93 total cpu time spent up to now is 103.6 secs Computing kpt #: 94 total cpu time spent up to now is 104.7 secs Computing kpt #: 95 total cpu time spent up to now is 105.7 secs Computing kpt #: 96 total cpu time spent up to now is 106.8 secs Computing kpt #: 97 total cpu time spent up to now is 107.8 secs Computing kpt #: 98 total cpu time spent up to now is 108.8 secs Computing kpt #: 99 total cpu time spent up to now is 109.8 secs Computing kpt #: 100 total cpu time spent up to now is 110.8 secs Computing kpt #: 101 total cpu time spent up to now is 111.7 secs Computing kpt #: 102 total cpu time spent up to now is 112.7 secs Computing kpt #: 103 total cpu time spent up to now is 113.7 secs Computing kpt #: 104 total cpu time spent up to now is 114.7 secs Computing kpt #: 105 total cpu time spent up to now is 115.7 secs Computing kpt #: 106 total cpu time spent up to now is 116.7 secs Computing kpt #: 107 total cpu time spent up to now is 117.7 secs Computing kpt #: 108 total cpu time spent up to now is 118.7 secs Computing kpt #: 109 total cpu time spent up to now is 119.7 secs Computing kpt #: 110 total cpu time spent up to now is 120.8 secs Computing kpt #: 111 total cpu time spent up to now is 121.8 secs Computing kpt #: 112 total cpu time spent up to now is 122.9 secs Computing kpt #: 113 total cpu time spent up to now is 123.9 secs Computing kpt #: 114 total cpu time spent up to now is 124.9 secs Computing kpt #: 115 total cpu time spent up to now is 126.0 secs Computing kpt #: 116 total cpu time spent up to now is 127.1 secs Computing kpt #: 117 total cpu time spent up to now is 128.2 secs Computing kpt #: 118 total cpu time spent up to now is 129.2 secs Computing kpt #: 119 total cpu time spent up to now is 130.3 secs Computing kpt #: 120 total cpu time spent up to now is 131.4 secs Computing kpt #: 121 total cpu time spent up to now is 132.6 secs Computing kpt #: 122 total cpu time spent up to now is 133.6 secs Computing kpt #: 123 total cpu time spent up to now is 134.8 secs Computing kpt #: 124 total cpu time spent up to now is 135.9 secs Computing kpt #: 125 total cpu time spent up to now is 137.0 secs Computing kpt #: 126 total cpu time spent up to now is 138.1 secs Computing kpt #: 127 total cpu time spent up to now is 139.3 secs Computing kpt #: 128 total cpu time spent up to now is 140.4 secs Computing kpt #: 129 total cpu time spent up to now is 141.5 secs Computing kpt #: 130 total cpu time spent up to now is 142.6 secs Computing kpt #: 131 total cpu time spent up to now is 143.7 secs Computing kpt #: 132 total cpu time spent up to now is 144.8 secs Computing kpt #: 133 total cpu time spent up to now is 146.0 secs Computing kpt #: 134 total cpu time spent up to now is 147.1 secs Computing kpt #: 135 total cpu time spent up to now is 148.2 secs Computing kpt #: 136 total cpu time spent up to now is 149.3 secs Computing kpt #: 137 total cpu time spent up to now is 150.4 secs Computing kpt #: 138 total cpu time spent up to now is 151.5 secs Computing kpt #: 139 total cpu time spent up to now is 152.6 secs Computing kpt #: 140 total cpu time spent up to now is 153.7 secs Computing kpt #: 141 total cpu time spent up to now is 154.8 secs Computing kpt #: 142 total cpu time spent up to now is 155.9 secs Computing kpt #: 143 total cpu time spent up to now is 157.0 secs Computing kpt #: 144 total cpu time spent up to now is 158.1 secs Computing kpt #: 145 total cpu time spent up to now is 159.2 secs Computing kpt #: 146 total cpu time spent up to now is 160.2 secs Computing kpt #: 147 total cpu time spent up to now is 161.3 secs Computing kpt #: 148 total cpu time spent up to now is 162.4 secs Computing kpt #: 149 total cpu time spent up to now is 163.4 secs Computing kpt #: 150 total cpu time spent up to now is 164.5 secs Computing kpt #: 151 total cpu time spent up to now is 165.4 secs Computing kpt #: 152 total cpu time spent up to now is 166.4 secs Computing kpt #: 153 total cpu time spent up to now is 167.4 secs Computing kpt #: 154 total cpu time spent up to now is 168.4 secs Computing kpt #: 155 total cpu time spent up to now is 169.3 secs Computing kpt #: 156 total cpu time spent up to now is 170.3 secs Computing kpt #: 157 total cpu time spent up to now is 171.4 secs Computing kpt #: 158 total cpu time spent up to now is 172.4 secs Computing kpt #: 159 total cpu time spent up to now is 173.5 secs Computing kpt #: 160 total cpu time spent up to now is 174.6 secs Computing kpt #: 161 total cpu time spent up to now is 175.6 secs Computing kpt #: 162 total cpu time spent up to now is 176.7 secs Computing kpt #: 163 total cpu time spent up to now is 177.8 secs Computing kpt #: 164 total cpu time spent up to now is 178.9 secs Computing kpt #: 165 total cpu time spent up to now is 180.0 secs Computing kpt #: 166 total cpu time spent up to now is 181.1 secs Computing kpt #: 167 total cpu time spent up to now is 182.2 secs Computing kpt #: 168 total cpu time spent up to now is 183.3 secs Computing kpt #: 169 total cpu time spent up to now is 184.4 secs Computing kpt #: 170 total cpu time spent up to now is 185.6 secs Computing kpt #: 171 total cpu time spent up to now is 186.7 secs Computing kpt #: 172 total cpu time spent up to now is 187.8 secs Computing kpt #: 173 total cpu time spent up to now is 188.9 secs Computing kpt #: 174 total cpu time spent up to now is 190.0 secs Computing kpt #: 175 total cpu time spent up to now is 191.2 secs Computing kpt #: 176 total cpu time spent up to now is 192.3 secs Computing kpt #: 177 total cpu time spent up to now is 193.4 secs Computing kpt #: 178 total cpu time spent up to now is 194.5 secs Computing kpt #: 179 total cpu time spent up to now is 195.6 secs Computing kpt #: 180 total cpu time spent up to now is 196.7 secs Computing kpt #: 181 total cpu time spent up to now is 197.9 secs Computing kpt #: 182 total cpu time spent up to now is 199.0 secs Computing kpt #: 183 total cpu time spent up to now is 200.1 secs Computing kpt #: 184 total cpu time spent up to now is 201.3 secs Computing kpt #: 185 total cpu time spent up to now is 202.4 secs Computing kpt #: 186 total cpu time spent up to now is 203.5 secs Computing kpt #: 187 total cpu time spent up to now is 204.6 secs Computing kpt #: 188 total cpu time spent up to now is 205.7 secs Computing kpt #: 189 total cpu time spent up to now is 206.8 secs Computing kpt #: 190 total cpu time spent up to now is 207.9 secs Computing kpt #: 191 total cpu time spent up to now is 209.0 secs Computing kpt #: 192 total cpu time spent up to now is 210.1 secs Computing kpt #: 193 total cpu time spent up to now is 211.2 secs Computing kpt #: 194 total cpu time spent up to now is 212.2 secs Computing kpt #: 195 total cpu time spent up to now is 213.3 secs Computing kpt #: 196 total cpu time spent up to now is 214.3 secs Computing kpt #: 197 total cpu time spent up to now is 215.3 secs Computing kpt #: 198 total cpu time spent up to now is 216.2 secs Computing kpt #: 199 total cpu time spent up to now is 217.3 secs Computing kpt #: 200 total cpu time spent up to now is 218.4 secs Computing kpt #: 201 total cpu time spent up to now is 219.5 secs Computing kpt #: 202 total cpu time spent up to now is 220.6 secs Computing kpt #: 203 total cpu time spent up to now is 221.7 secs Computing kpt #: 204 total cpu time spent up to now is 222.8 secs Computing kpt #: 205 total cpu time spent up to now is 223.8 secs Computing kpt #: 206 total cpu time spent up to now is 225.0 secs Computing kpt #: 207 total cpu time spent up to now is 226.0 secs Computing kpt #: 208 total cpu time spent up to now is 227.1 secs Computing kpt #: 209 total cpu time spent up to now is 228.2 secs Computing kpt #: 210 total cpu time spent up to now is 229.3 secs Computing kpt #: 211 total cpu time spent up to now is 230.4 secs Computing kpt #: 212 total cpu time spent up to now is 231.5 secs Computing kpt #: 213 total cpu time spent up to now is 232.6 secs Computing kpt #: 214 total cpu time spent up to now is 233.7 secs Computing kpt #: 215 total cpu time spent up to now is 234.8 secs Computing kpt #: 216 total cpu time spent up to now is 235.9 secs Computing kpt #: 217 total cpu time spent up to now is 237.0 secs Computing kpt #: 218 total cpu time spent up to now is 238.1 secs Computing kpt #: 219 total cpu time spent up to now is 239.1 secs Computing kpt #: 220 total cpu time spent up to now is 240.2 secs Computing kpt #: 221 total cpu time spent up to now is 241.2 secs Computing kpt #: 222 total cpu time spent up to now is 242.2 secs Computing kpt #: 223 total cpu time spent up to now is 243.2 secs Computing kpt #: 224 total cpu time spent up to now is 244.2 secs Computing kpt #: 225 total cpu time spent up to now is 245.2 secs ethr = 1.39E-08, avg # of iterations = 15.7 total cpu time spent up to now is 245.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6031 PWs) bands (ev): -20.7831 -20.7831 -17.7731 -17.7731 -17.5345 -17.5345 -17.5345 -17.5345 -15.6595 -15.6595 -15.6591 -15.6591 -15.6591 -15.6591 -7.8570 -7.8570 -7.8570 -7.8570 -7.5674 -7.5674 -5.5811 -5.5811 -4.7598 -4.7598 -4.7598 -4.7598 -2.6781 -2.6781 -2.6698 -2.6698 -2.6698 -2.6698 -1.9887 -1.9887 -1.9163 -1.9163 -1.9163 -1.9163 -1.8215 -1.8215 -1.8215 -1.8215 -0.9281 -0.9281 -0.8769 -0.8769 -0.8769 -0.8769 -0.2527 -0.2527 -0.0489 -0.0489 -0.0489 -0.0489 1.2303 1.2303 1.2303 1.2303 1.2541 1.2541 1.6710 1.6710 1.6710 1.6710 1.7788 1.7788 2.4935 2.4935 4.6408 4.6408 4.6862 4.6862 4.6862 4.6862 5.1628 5.1628 5.1628 5.1628 5.2613 5.2613 5.2846 5.2846 5.2846 5.2846 5.3364 5.3364 k = 0.0000 0.0172-0.0000 ( 6007 PWs) bands (ev): -20.7831 -20.7831 -17.7729 -17.7729 -17.5347 -17.5347 -17.5344 -17.5344 -15.6597 -15.6597 -15.6593 -15.6593 -15.6591 -15.6591 -7.8570 -7.8570 -7.8560 -7.8560 -7.5673 -7.5673 -5.5809 -5.5809 -4.7598 -4.7598 -4.7593 -4.7593 -2.6794 -2.6794 -2.6716 -2.6716 -2.6698 -2.6698 -1.9906 -1.9906 -1.9203 -1.9203 -1.9163 -1.9163 -1.8213 -1.8213 -1.8167 -1.8167 -0.9296 -0.9296 -0.8781 -0.8781 -0.8775 -0.8775 -0.2519 -0.2519 -0.0487 -0.0487 -0.0467 -0.0467 1.2304 1.2304 1.2306 1.2306 1.2543 1.2543 1.6705 1.6705 1.6708 1.6708 1.7783 1.7783 2.4965 2.4965 4.6411 4.6411 4.6861 4.6861 4.6868 4.6868 5.1614 5.1614 5.1651 5.1651 5.2610 5.2610 5.2831 5.2831 5.2846 5.2846 5.3412 5.3412 k = 0.0000 0.0345-0.0000 ( 5991 PWs) bands (ev): -20.7830 -20.7830 -17.7724 -17.7724 -17.5351 -17.5351 -17.5341 -17.5341 -15.6607 -15.6607 -15.6594 -15.6594 -15.6591 -15.6591 -7.8570 -7.8570 -7.8530 -7.8530 -7.5667 -7.5667 -5.5801 -5.5801 -4.7597 -4.7597 -4.7577 -4.7577 -2.6861 -2.6861 -2.6740 -2.6740 -2.6699 -2.6699 -1.9968 -1.9968 -1.9296 -1.9296 -1.9161 -1.9161 -1.8207 -1.8207 -1.8045 -1.8045 -0.9345 -0.9345 -0.8815 -0.8815 -0.8793 -0.8793 -0.2496 -0.2496 -0.0483 -0.0483 -0.0405 -0.0405 1.2306 1.2306 1.2315 1.2315 1.2548 1.2548 1.6690 1.6690 1.6701 1.6701 1.7770 1.7770 2.5057 2.5057 4.6419 4.6419 4.6857 4.6857 4.6887 4.6887 5.1570 5.1570 5.1717 5.1717 5.2604 5.2604 5.2803 5.2803 5.2844 5.2844 5.3534 5.3534 k = 0.0000 0.0517-0.0000 ( 5983 PWs) bands (ev): -20.7829 -20.7829 -17.7715 -17.7715 -17.5359 -17.5359 -17.5336 -17.5336 -15.6625 -15.6625 -15.6594 -15.6594 -15.6591 -15.6591 -7.8569 -7.8569 -7.8481 -7.8481 -7.5658 -7.5658 -5.5789 -5.5789 -4.7596 -4.7596 -4.7551 -4.7551 -2.7002 -2.7002 -2.6750 -2.6750 -2.6700 -2.6700 -2.0082 -2.0082 -1.9399 -1.9399 -1.9157 -1.9157 -1.8198 -1.8198 -1.7885 -1.7885 -0.9431 -0.9431 -0.8864 -0.8864 -0.8821 -0.8821 -0.2458 -0.2458 -0.0475 -0.0475 -0.0304 -0.0304 1.2311 1.2311 1.2330 1.2330 1.2558 1.2558 1.6665 1.6665 1.6690 1.6690 1.7748 1.7748 2.5209 2.5209 4.6429 4.6429 4.6853 4.6853 4.6918 4.6918 5.1492 5.1492 5.1815 5.1815 5.2609 5.2609 5.2790 5.2790 5.2842 5.2842 5.3702 5.3702 k = 0.0000 0.0690-0.0000 ( 5959 PWs) bands (ev): -20.7828 -20.7828 -17.7702 -17.7702 -17.5369 -17.5369 -17.5328 -17.5328 -15.6650 -15.6650 -15.6594 -15.6594 -15.6591 -15.6591 -7.8569 -7.8569 -7.8414 -7.8414 -7.5643 -7.5643 -5.5772 -5.5772 -4.7595 -4.7595 -4.7514 -4.7514 -2.7206 -2.7206 -2.6755 -2.6755 -2.6701 -2.6701 -2.0250 -2.0250 -1.9487 -1.9487 -1.9151 -1.9151 -1.8185 -1.8185 -1.7708 -1.7708 -0.9558 -0.9558 -0.8923 -0.8923 -0.8855 -0.8855 -0.2406 -0.2406 -0.0464 -0.0464 -0.0170 -0.0170 1.2317 1.2317 1.2350 1.2350 1.2572 1.2572 1.6630 1.6630 1.6674 1.6674 1.7718 1.7718 2.5419 2.5419 4.6440 4.6440 4.6852 4.6852 4.6963 4.6963 5.1378 5.1378 5.1930 5.1930 5.2635 5.2635 5.2810 5.2810 5.2840 5.2840 5.3904 5.3904 k = 0.0000 0.0862-0.0000 ( 5951 PWs) bands (ev): -20.7827 -20.7827 -17.7687 -17.7687 -17.5382 -17.5382 -17.5318 -17.5318 -15.6681 -15.6681 -15.6594 -15.6594 -15.6591 -15.6591 -7.8569 -7.8569 -7.8332 -7.8332 -7.5620 -7.5620 -5.5751 -5.5751 -4.7594 -4.7594 -4.7468 -4.7468 -2.7466 -2.7466 -2.6759 -2.6759 -2.6702 -2.6702 -2.0464 -2.0464 -1.9559 -1.9559 -1.9141 -1.9141 -1.8168 -1.8168 -1.7525 -1.7525 -0.9723 -0.9723 -0.8990 -0.8990 -0.8890 -0.8890 -0.2343 -0.2343 -0.0449 -0.0449 -0.0009 -0.0009 1.2324 1.2324 1.2372 1.2372 1.2593 1.2593 1.6585 1.6585 1.6653 1.6653 1.7681 1.7681 2.5685 2.5685 4.6449 4.6449 4.6856 4.6856 4.7022 4.7022 5.1233 5.1233 5.2039 5.2039 5.2660 5.2660 5.2834 5.2834 5.2904 5.2904 5.4135 5.4135 k = 0.0000 0.1034-0.0000 ( 5951 PWs) bands (ev): -20.7825 -20.7825 -17.7667 -17.7667 -17.5398 -17.5398 -17.5307 -17.5307 -15.6719 -15.6719 -15.6594 -15.6594 -15.6591 -15.6591 -7.8568 -7.8568 -7.8239 -7.8239 -7.5588 -7.5588 -5.5725 -5.5725 -4.7592 -4.7592 -4.7412 -4.7412 -2.7777 -2.7777 -2.6765 -2.6765 -2.6702 -2.6702 -2.0710 -2.0710 -1.9622 -1.9622 -1.9127 -1.9127 -1.8147 -1.8147 -1.7341 -1.7341 -0.9921 -0.9921 -0.9067 -0.9067 -0.8924 -0.8924 -0.2269 -0.2269 -0.0431 -0.0431 0.0173 0.0173 1.2332 1.2332 1.2397 1.2397 1.2621 1.2621 1.6530 1.6530 1.6627 1.6627 1.7638 1.7638 2.6003 2.6003 4.6453 4.6453 4.6870 4.6870 4.7096 4.7096 5.1060 5.1060 5.2127 5.2127 5.2665 5.2665 5.2833 5.2833 5.3084 5.3084 5.4400 5.4400 k = 0.0000 0.1207-0.0000 ( 5947 PWs) bands (ev): -20.7823 -20.7823 -17.7645 -17.7645 -17.5417 -17.5417 -17.5294 -17.5294 -15.6763 -15.6763 -15.6594 -15.6594 -15.6590 -15.6590 -7.8568 -7.8568 -7.8137 -7.8137 -7.5544 -7.5544 -5.5697 -5.5697 -4.7589 -4.7589 -4.7347 -4.7347 -2.8136 -2.8136 -2.6772 -2.6772 -2.6701 -2.6701 -2.0978 -2.0978 -1.9682 -1.9682 -1.9109 -1.9109 -1.8121 -1.8121 -1.7160 -1.7160 -1.0145 -1.0145 -0.9153 -0.9153 -0.8956 -0.8956 -0.2186 -0.2186 -0.0409 -0.0409 0.0370 0.0370 1.2341 1.2341 1.2421 1.2421 1.2658 1.2658 1.6466 1.6466 1.6597 1.6597 1.7590 1.7590 2.6371 2.6371 4.6452 4.6452 4.6893 4.6893 4.7185 4.7185 5.0867 5.0867 5.2195 5.2195 5.2658 5.2658 5.2833 5.2833 5.3327 5.3327 5.4705 5.4705 k = 0.0000 0.1379-0.0000 ( 5931 PWs) bands (ev): -20.7821 -20.7821 -17.7619 -17.7619 -17.5438 -17.5438 -17.5279 -17.5279 -15.6811 -15.6811 -15.6594 -15.6594 -15.6590 -15.6590 -7.8567 -7.8567 -7.8030 -7.8030 -7.5484 -7.5484 -5.5665 -5.5665 -4.7587 -4.7587 -4.7273 -4.7273 -2.8538 -2.8538 -2.6781 -2.6781 -2.6698 -2.6698 -2.1263 -2.1263 -1.9743 -1.9743 -1.9087 -1.9087 -1.8092 -1.8092 -1.6984 -1.6984 -1.0387 -1.0387 -0.9248 -0.9248 -0.8986 -0.8986 -0.2097 -0.2097 -0.0384 -0.0384 0.0576 0.0576 1.2350 1.2350 1.2445 1.2445 1.2704 1.2704 1.6394 1.6394 1.6562 1.6562 1.7539 1.7539 2.6784 2.6784 4.6451 4.6451 4.6926 4.6926 4.7289 4.7289 5.0658 5.0658 5.2245 5.2245 5.2643 5.2643 5.2836 5.2836 5.3603 5.3603 5.5060 5.5060 k = 0.0000 0.1552-0.0000 ( 5927 PWs) bands (ev): -20.7818 -20.7818 -17.7591 -17.7591 -17.5462 -17.5462 -17.5262 -17.5262 -15.6865 -15.6865 -15.6595 -15.6595 -15.6589 -15.6589 -7.8566 -7.8566 -7.7925 -7.7925 -7.5404 -7.5404 -5.5631 -5.5631 -4.7584 -4.7584 -4.7191 -4.7191 -2.8979 -2.8979 -2.6791 -2.6791 -2.6695 -2.6695 -2.1557 -2.1557 -1.9806 -1.9806 -1.9061 -1.9061 -1.8057 -1.8057 -1.6812 -1.6812 -1.0640 -1.0640 -0.9351 -0.9351 -0.9016 -0.9016 -0.2003 -0.2003 -0.0353 -0.0353 0.0788 0.0788 1.2360 1.2360 1.2468 1.2468 1.2757 1.2757 1.6312 1.6312 1.6522 1.6522 1.7485 1.7485 2.7238 2.7238 4.6451 4.6451 4.6965 4.6965 4.7407 4.7407 5.0437 5.0437 5.2281 5.2281 5.2622 5.2622 5.2840 5.2840 5.3891 5.3891 5.5472 5.5472 k = 0.0000 0.1724-0.0000 ( 5939 PWs) bands (ev): -20.7816 -20.7816 -17.7559 -17.7559 -17.5489 -17.5489 -17.5244 -17.5244 -15.6923 -15.6923 -15.6595 -15.6595 -15.6589 -15.6589 -7.8565 -7.8565 -7.7825 -7.7825 -7.5301 -7.5301 -5.5594 -5.5594 -4.7581 -4.7581 -4.7102 -4.7102 -2.9453 -2.9453 -2.6802 -2.6802 -2.6692 -2.6692 -2.1859 -2.1859 -1.9873 -1.9873 -1.9033 -1.9033 -1.8018 -1.8018 -1.6647 -1.6647 -1.0900 -1.0900 -0.9461 -0.9461 -0.9045 -0.9045 -0.1907 -0.1907 -0.0318 -0.0318 0.0999 0.0999 1.2368 1.2368 1.2491 1.2491 1.2819 1.2819 1.6222 1.6222 1.6477 1.6477 1.7430 1.7430 2.7726 2.7726 4.6456 4.6456 4.7011 4.7011 4.7538 4.7538 5.0207 5.0207 5.2305 5.2305 5.2594 5.2594 5.2847 5.2847 5.4176 5.4176 5.5943 5.5943 k = 0.0000 0.1897-0.0000 ( 5939 PWs) bands (ev): -20.7813 -20.7813 -17.7525 -17.7525 -17.5517 -17.5517 -17.5225 -17.5225 -15.6984 -15.6984 -15.6595 -15.6595 -15.6588 -15.6588 -7.8563 -7.8563 -7.7736 -7.7736 -7.5172 -7.5172 -5.5556 -5.5556 -4.7577 -4.7577 -4.7006 -4.7006 -2.9956 -2.9956 -2.6814 -2.6814 -2.6687 -2.6687 -2.2165 -2.2165 -1.9942 -1.9942 -1.9003 -1.9003 -1.7972 -1.7972 -1.6489 -1.6489 -1.1162 -1.1162 -0.9575 -0.9575 -0.9074 -0.9074 -0.1811 -0.1811 -0.0278 -0.0278 0.1209 0.1209 1.2377 1.2377 1.2514 1.2514 1.2886 1.2886 1.6124 1.6124 1.6427 1.6427 1.7375 1.7375 2.8244 2.8244 4.6471 4.6471 4.7060 4.7060 4.7680 4.7680 4.9970 4.9970 5.2316 5.2316 5.2561 5.2561 5.2856 5.2856 5.4451 5.4451 5.6469 5.6469 k = 0.0000 0.2069-0.0000 ( 5935 PWs) bands (ev): -20.7810 -20.7810 -17.7489 -17.7489 -17.5549 -17.5549 -17.5205 -17.5205 -15.7048 -15.7048 -15.6596 -15.6596 -15.6587 -15.6587 -7.8562 -7.8562 -7.7660 -7.7660 -7.5016 -7.5016 -5.5518 -5.5518 -4.7573 -4.7573 -4.6904 -4.6904 -3.0481 -3.0481 -2.6827 -2.6827 -2.6682 -2.6682 -2.2472 -2.2472 -2.0014 -2.0014 -1.8973 -1.8973 -1.7921 -1.7921 -1.6337 -1.6337 -1.1424 -1.1424 -0.9693 -0.9693 -0.9103 -0.9103 -0.1716 -0.1716 -0.0232 -0.0232 0.1413 0.1413 1.2385 1.2385 1.2538 1.2538 1.2959 1.2959 1.6020 1.6020 1.6374 1.6374 1.7322 1.7322 2.8787 2.8787 4.6498 4.6498 4.7113 4.7113 4.7832 4.7832 4.9727 4.9727 5.2315 5.2315 5.2522 5.2522 5.2866 5.2866 5.4716 5.4716 5.7043 5.7043 k = 0.0000 0.2241-0.0000 ( 5947 PWs) bands (ev): -20.7807 -20.7807 -17.7450 -17.7450 -17.5582 -17.5582 -17.5184 -17.5184 -15.7114 -15.7114 -15.6596 -15.6596 -15.6587 -15.6587 -7.8560 -7.8560 -7.7598 -7.7598 -7.4833 -7.4833 -5.5478 -5.5478 -4.7569 -4.7569 -4.6797 -4.6797 -3.1024 -3.1024 -2.6841 -2.6841 -2.6677 -2.6677 -2.2778 -2.2778 -2.0087 -2.0087 -1.8942 -1.8942 -1.7863 -1.7863 -1.6193 -1.6193 -1.1681 -1.1681 -0.9813 -0.9813 -0.9132 -0.9132 -0.1625 -0.1625 -0.0180 -0.0180 0.1610 0.1610 1.2392 1.2392 1.2562 1.2562 1.3035 1.3035 1.5909 1.5909 1.6318 1.6318 1.7270 1.7270 2.9346 2.9346 4.6539 4.6539 4.7167 4.7167 4.7993 4.7993 4.9481 4.9481 5.2300 5.2300 5.2477 5.2477 5.2878 5.2878 5.4971 5.4971 5.7654 5.7654 k = 0.0000 0.2414-0.0000 ( 5930 PWs) bands (ev): -20.7804 -20.7804 -17.7409 -17.7409 -17.5617 -17.5617 -17.5162 -17.5162 -15.7181 -15.7181 -15.6597 -15.6597 -15.6586 -15.6586 -7.8558 -7.8558 -7.7552 -7.7552 -7.4626 -7.4626 -5.5439 -5.5439 -4.7565 -4.7565 -4.6687 -4.6687 -3.1578 -3.1578 -2.6855 -2.6855 -2.6671 -2.6671 -2.3079 -2.3079 -2.0162 -2.0162 -1.8912 -1.8912 -1.7798 -1.7798 -1.6057 -1.6057 -1.1933 -1.1933 -0.9934 -0.9934 -0.9161 -0.9161 -0.1539 -0.1539 -0.0123 -0.0123 0.1799 0.1799 1.2398 1.2398 1.2587 1.2587 1.3113 1.3113 1.5792 1.5792 1.6259 1.6259 1.7222 1.7222 2.9917 2.9917 4.6597 4.6597 4.7222 4.7222 4.8161 4.8161 4.9234 4.9234 5.2271 5.2271 5.2426 5.2426 5.2892 5.2892 5.5218 5.5218 5.8294 5.8294 k = 0.0000 0.2586-0.0000 ( 5930 PWs) bands (ev): -20.7801 -20.7801 -17.7366 -17.7366 -17.5654 -17.5654 -17.5141 -17.5141 -15.7249 -15.7249 -15.6597 -15.6597 -15.6585 -15.6585 -7.8555 -7.8555 -7.7521 -7.7521 -7.4397 -7.4397 -5.5400 -5.5400 -4.7560 -4.7560 -4.6574 -4.6574 -3.2139 -3.2139 -2.6869 -2.6869 -2.6665 -2.6665 -2.3374 -2.3374 -2.0236 -2.0236 -1.8883 -1.8883 -1.7727 -1.7727 -1.5931 -1.5931 -1.2177 -1.2177 -1.0056 -1.0056 -0.9189 -0.9189 -0.1459 -0.1459 -0.0060 -0.0060 0.1978 0.1978 1.2404 1.2404 1.2612 1.2612 1.3193 1.3193 1.5672 1.5672 1.6198 1.6198 1.7176 1.7176 3.0492 3.0492 4.6673 4.6673 4.7278 4.7278 4.8333 4.8333 4.8989 4.8989 5.2228 5.2228 5.2369 5.2369 5.2906 5.2906 5.5457 5.5457 5.8951 5.8951 k = 0.0000 0.2759-0.0000 ( 5938 PWs) bands (ev): -20.7798 -20.7798 -17.7322 -17.7322 -17.5693 -17.5693 -17.5119 -17.5119 -15.7316 -15.7316 -15.6598 -15.6598 -15.6585 -15.6585 -7.8553 -7.8553 -7.7501 -7.7501 -7.4152 -7.4152 -5.5362 -5.5362 -4.7556 -4.7556 -4.6459 -4.6459 -3.2699 -3.2699 -2.6883 -2.6883 -2.6659 -2.6659 -2.3659 -2.3659 -2.0310 -2.0310 -1.8856 -1.8856 -1.7649 -1.7649 -1.5814 -1.5814 -1.2411 -1.2411 -1.0177 -1.0177 -0.9217 -0.9217 -0.1387 -0.1387 0.0008 0.0008 0.2146 0.2146 1.2409 1.2409 1.2638 1.2638 1.3273 1.3273 1.5549 1.5549 1.6137 1.6137 1.7134 1.7134 3.1064 3.1064 4.6767 4.6767 4.7333 4.7333 4.8495 4.8495 4.8760 4.8760 5.2170 5.2170 5.2306 5.2306 5.2921 5.2921 5.5688 5.5688 5.9616 5.9616 k = 0.0000 0.2931-0.0000 ( 5942 PWs) bands (ev): -20.7795 -20.7795 -17.7276 -17.7276 -17.5733 -17.5733 -17.5097 -17.5097 -15.7382 -15.7382 -15.6598 -15.6598 -15.6584 -15.6584 -7.8550 -7.8550 -7.7491 -7.7491 -7.3896 -7.3896 -5.5325 -5.5325 -4.7551 -4.7551 -4.6343 -4.6343 -3.3254 -3.3254 -2.6896 -2.6896 -2.6653 -2.6653 -2.3933 -2.3933 -2.0383 -2.0383 -1.8832 -1.8832 -1.7564 -1.7564 -1.5707 -1.5707 -1.2634 -1.2634 -1.0296 -1.0296 -0.9245 -0.9245 -0.1322 -0.1322 0.0080 0.0080 0.2303 0.2303 1.2413 1.2413 1.2664 1.2664 1.3352 1.3352 1.5425 1.5425 1.6077 1.6077 1.7095 1.7095 3.1628 3.1628 4.6881 4.6881 4.7388 4.7388 4.8459 4.8459 4.8736 4.8736 5.2098 5.2098 5.2236 5.2236 5.2937 5.2937 5.5912 5.5912 6.0281 6.0281 k = 0.0000 0.3103-0.0000 ( 5922 PWs) bands (ev): -20.7793 -20.7793 -17.7229 -17.7229 -17.5774 -17.5774 -17.5076 -17.5076 -15.7447 -15.7447 -15.6599 -15.6599 -15.6583 -15.6583 -7.8547 -7.8547 -7.7490 -7.7490 -7.3634 -7.3634 -5.5290 -5.5290 -4.7547 -4.7547 -4.6229 -4.6229 -3.3796 -3.3796 -2.6909 -2.6909 -2.6647 -2.6647 -2.4194 -2.4194 -2.0453 -2.0453 -1.8809 -1.8809 -1.7472 -1.7472 -1.5613 -1.5613 -1.2845 -1.2845 -1.0412 -1.0412 -0.9271 -0.9271 -0.1264 -0.1264 0.0154 0.0154 0.2448 0.2448 1.2417 1.2417 1.2691 1.2691 1.3429 1.3429 1.5301 1.5301 1.6017 1.6017 1.7059 1.7059 3.2176 3.2176 4.7013 4.7013 4.7443 4.7443 4.8237 4.8237 4.8906 4.8906 5.2011 5.2011 5.2160 5.2160 5.2952 5.2952 5.6127 5.6127 6.0937 6.0937 k = 0.0000 0.3276-0.0000 ( 5918 PWs) bands (ev): -20.7790 -20.7790 -17.7182 -17.7182 -17.5816 -17.5816 -17.5056 -17.5056 -15.7508 -15.7508 -15.6599 -15.6599 -15.6583 -15.6583 -7.8544 -7.8544 -7.7495 -7.7495 -7.3371 -7.3371 -5.5257 -5.5257 -4.7542 -4.7542 -4.6117 -4.6117 -3.4321 -3.4321 -2.6922 -2.6922 -2.6641 -2.6641 -2.4439 -2.4439 -2.0520 -2.0520 -1.8789 -1.8789 -1.7375 -1.7375 -1.5532 -1.5532 -1.3041 -1.3041 -1.0524 -1.0524 -0.9296 -0.9296 -0.1214 -0.1214 0.0230 0.0230 0.2581 0.2581 1.2420 1.2420 1.2718 1.2718 1.3503 1.3503 1.5179 1.5179 1.5960 1.5960 1.7027 1.7027 3.2702 3.2702 4.7159 4.7159 4.7500 4.7500 4.8010 4.8010 4.9091 4.9091 5.1908 5.1908 5.2079 5.2079 5.2968 5.2968 5.6331 5.6331 6.1573 6.1573 k = 0.0000 0.3448-0.0000 ( 5918 PWs) bands (ev): -20.7787 -20.7787 -17.7135 -17.7135 -17.5859 -17.5859 -17.5036 -17.5036 -15.7566 -15.7566 -15.6599 -15.6599 -15.6582 -15.6582 -7.8541 -7.8541 -7.7503 -7.7503 -7.3113 -7.3113 -5.5226 -5.5226 -4.7538 -4.7538 -4.6008 -4.6008 -3.4821 -3.4821 -2.6934 -2.6934 -2.6635 -2.6635 -2.4666 -2.4666 -2.0583 -2.0583 -1.8771 -1.8771 -1.7273 -1.7273 -1.5468 -1.5468 -1.3220 -1.3220 -1.0630 -1.0630 -0.9320 -0.9320 -0.1171 -0.1171 0.0305 0.0305 0.2702 0.2702 1.2423 1.2423 1.2745 1.2745 1.3574 1.3574 1.5060 1.5060 1.5906 1.5906 1.6998 1.6998 3.3200 3.3200 4.7312 4.7312 4.7566 4.7566 4.7790 4.7790 4.9278 4.9278 5.1790 5.1790 5.1990 5.1990 5.2983 5.2983 5.6525 5.6525 6.2182 6.2182 k = 0.0000 0.3621-0.0000 ( 5942 PWs) bands (ev): -20.7785 -20.7785 -17.7088 -17.7088 -17.5901 -17.5901 -17.5018 -17.5018 -15.7621 -15.7621 -15.6600 -15.6600 -15.6581 -15.6581 -7.8538 -7.8538 -7.7515 -7.7515 -7.2865 -7.2865 -5.5198 -5.5198 -4.7534 -4.7534 -4.5905 -4.5905 -3.5290 -3.5290 -2.6945 -2.6945 -2.6630 -2.6630 -2.4874 -2.4874 -2.0641 -2.0641 -1.8756 -1.8756 -1.7167 -1.7167 -1.5421 -1.5421 -1.3380 -1.3380 -1.0730 -1.0730 -0.9342 -0.9342 -0.1134 -0.1134 0.0378 0.0378 0.2810 0.2810 1.2425 1.2425 1.2771 1.2771 1.3639 1.3639 1.4947 1.4947 1.5855 1.5855 1.6972 1.6972 3.3664 3.3664 4.7441 4.7441 4.7585 4.7585 4.7665 4.7665 4.9465 4.9465 5.1659 5.1659 5.1896 5.1896 5.2998 5.2998 5.6704 5.6704 6.2754 6.2754 k = 0.0000 0.3793-0.0000 ( 5946 PWs) bands (ev): -20.7783 -20.7783 -17.7043 -17.7043 -17.5942 -17.5942 -17.5001 -17.5001 -15.7670 -15.7670 -15.6600 -15.6600 -15.6581 -15.6581 -7.8535 -7.8535 -7.7528 -7.7528 -7.2632 -7.2632 -5.5172 -5.5172 -4.7530 -4.7530 -4.5808 -4.5808 -3.5724 -3.5724 -2.6955 -2.6955 -2.6626 -2.6626 -2.5061 -2.5061 -2.0695 -2.0695 -1.8742 -1.8742 -1.7059 -1.7059 -1.5393 -1.5393 -1.3518 -1.3518 -1.0822 -1.0822 -0.9362 -0.9362 -0.1103 -0.1103 0.0446 0.0446 0.2906 0.2906 1.2427 1.2427 1.2796 1.2796 1.3699 1.3699 1.4842 1.4842 1.5810 1.5810 1.6949 1.6949 3.4087 3.4087 4.7379 4.7379 4.7539 4.7539 4.7821 4.7821 4.9651 4.9651 5.1514 5.1514 5.1794 5.1794 5.3012 5.3012 5.6870 5.6870 6.3283 6.3283 k = 0.0000 0.3966-0.0000 ( 5962 PWs) bands (ev): -20.7781 -20.7781 -17.6999 -17.6999 -17.5982 -17.5982 -17.4987 -17.4987 -15.7714 -15.7714 -15.6600 -15.6600 -15.6580 -15.6580 -7.8532 -7.8532 -7.7541 -7.7541 -7.2419 -7.2419 -5.5149 -5.5149 -4.7526 -4.7526 -4.5720 -4.5720 -3.6114 -3.6114 -2.6964 -2.6964 -2.6622 -2.6622 -2.5226 -2.5226 -2.0742 -2.0742 -1.8731 -1.8731 -1.6949 -1.6949 -1.5387 -1.5387 -1.3634 -1.3634 -1.0906 -1.0906 -0.9379 -0.9379 -0.1078 -0.1078 0.0509 0.0509 0.2990 0.2990 1.2428 1.2428 1.2819 1.2819 1.3753 1.3753 1.4745 1.4745 1.5769 1.5769 1.6929 1.6929 3.4466 3.4466 4.7206 4.7206 4.7588 4.7588 4.8016 4.8016 4.9834 4.9834 5.1358 5.1358 5.1686 5.1686 5.3024 5.3024 5.7018 5.7018 6.3760 6.3760 k = 0.0000 0.4138-0.0000 ( 5950 PWs) bands (ev): -20.7779 -20.7779 -17.6958 -17.6958 -17.6020 -17.6020 -17.4974 -17.4974 -15.7753 -15.7753 -15.6601 -15.6601 -15.6580 -15.6580 -7.8529 -7.8529 -7.7554 -7.7554 -7.2230 -7.2230 -5.5130 -5.5130 -4.7523 -4.7523 -4.5641 -4.5641 -3.6456 -3.6456 -2.6972 -2.6972 -2.6618 -2.6618 -2.5367 -2.5367 -2.0783 -2.0783 -1.8722 -1.8722 -1.6841 -1.6841 -1.5401 -1.5401 -1.3725 -1.3725 -1.0979 -1.0979 -0.9395 -0.9395 -0.1057 -0.1057 0.0565 0.0565 0.3061 0.3061 1.2429 1.2429 1.2841 1.2841 1.3800 1.3800 1.4659 1.4659 1.5733 1.5733 1.6912 1.6912 3.4795 3.4795 4.7050 4.7050 4.7624 4.7624 4.8226 4.8226 5.0013 5.0013 5.1195 5.1195 5.1572 5.1572 5.3035 5.3035 5.7148 5.7148 6.4178 6.4178 k = 0.0000 0.4310-0.0000 ( 5934 PWs) bands (ev): -20.7778 -20.7778 -17.6922 -17.6922 -17.6054 -17.6054 -17.4963 -17.4963 -15.7785 -15.7785 -15.6601 -15.6601 -15.6580 -15.6580 -7.8527 -7.8527 -7.7565 -7.7565 -7.2069 -7.2069 -5.5113 -5.5113 -4.7520 -4.7520 -4.5574 -4.5574 -3.6745 -3.6745 -2.6978 -2.6978 -2.6616 -2.6616 -2.5484 -2.5484 -2.0817 -2.0817 -1.8714 -1.8714 -1.6737 -1.6737 -1.5432 -1.5432 -1.3793 -1.3793 -1.1041 -1.1041 -0.9407 -0.9407 -0.1040 -0.1040 0.0613 0.0613 0.3119 0.3119 1.2430 1.2430 1.2860 1.2860 1.3839 1.3839 1.4586 1.4586 1.5704 1.5704 1.6898 1.6898 3.5070 3.5070 4.6918 4.6918 4.7652 4.7652 4.8438 4.8438 5.0186 5.0186 5.1030 5.1030 5.1452 5.1452 5.3045 5.3045 5.7257 5.7257 6.4530 6.4530 k = 0.0000 0.4483-0.0000 ( 5942 PWs) bands (ev): -20.7777 -20.7777 -17.6890 -17.6890 -17.6083 -17.6083 -17.4954 -17.4954 -15.7810 -15.7810 -15.6601 -15.6601 -15.6579 -15.6579 -7.8525 -7.8525 -7.7575 -7.7575 -7.1940 -7.1940 -5.5100 -5.5100 -4.7518 -4.7518 -4.5519 -4.5519 -3.6975 -3.6975 -2.6983 -2.6983 -2.6614 -2.6614 -2.5576 -2.5576 -2.0844 -2.0844 -1.8709 -1.8709 -1.6642 -1.6642 -1.5475 -1.5475 -1.3841 -1.3841 -1.1090 -1.1090 -0.9417 -0.9417 -0.1028 -0.1028 0.0651 0.0651 0.3164 0.3164 1.2430 1.2430 1.2876 1.2876 1.3870 1.3870 1.4526 1.4526 1.5680 1.5680 1.6888 1.6888 3.5288 3.5288 4.6811 4.6811 4.7673 4.7673 4.8638 4.8638 5.0352 5.0352 5.0872 5.0872 5.1327 5.1327 5.3052 5.3052 5.7344 5.7344 6.4809 6.4809 k = 0.0000 0.4655-0.0000 ( 5926 PWs) bands (ev): -20.7776 -20.7776 -17.6866 -17.6866 -17.6106 -17.6106 -17.4948 -17.4948 -15.7828 -15.7828 -15.6601 -15.6601 -15.6579 -15.6579 -7.8524 -7.8524 -7.7582 -7.7582 -7.1846 -7.1846 -5.5091 -5.5091 -4.7516 -4.7516 -4.5479 -4.5479 -3.7142 -3.7142 -2.6987 -2.6987 -2.6612 -2.6612 -2.5642 -2.5642 -2.0864 -2.0864 -1.8704 -1.8704 -1.6563 -1.6563 -1.5519 -1.5519 -1.3871 -1.3871 -1.1126 -1.1126 -0.9425 -0.9425 -0.1019 -0.1019 0.0678 0.0678 0.3196 0.3196 1.2431 1.2431 1.2888 1.2888 1.3892 1.3892 1.4483 1.4483 1.5664 1.5664 1.6880 1.6880 3.5446 3.5446 4.6733 4.6733 4.7687 4.7687 4.8809 4.8809 5.0500 5.0500 5.0741 5.0741 5.1199 5.1199 5.3058 5.3058 5.7408 5.7408 6.5013 6.5013 k = 0.0000 0.4828-0.0000 ( 5926 PWs) bands (ev): -20.7775 -20.7775 -17.6851 -17.6851 -17.6120 -17.6120 -17.4944 -17.4944 -15.7839 -15.7839 -15.6601 -15.6601 -15.6579 -15.6579 -7.8523 -7.8523 -7.7586 -7.7586 -7.1789 -7.1789 -5.5086 -5.5086 -4.7516 -4.7516 -4.5455 -4.5455 -3.7244 -3.7244 -2.6989 -2.6989 -2.6611 -2.6611 -2.5681 -2.5681 -2.0876 -2.0876 -1.8702 -1.8702 -1.6510 -1.6510 -1.5553 -1.5553 -1.3888 -1.3888 -1.1148 -1.1148 -0.9429 -0.9429 -0.1014 -0.1014 0.0695 0.0695 0.3216 0.3216 1.2431 1.2431 1.2896 1.2896 1.3906 1.3906 1.4456 1.4456 1.5653 1.5653 1.6875 1.6875 3.5542 3.5542 4.6686 4.6686 4.7696 4.7696 4.8930 4.8930 5.0570 5.0570 5.0708 5.0708 5.1079 5.1079 5.3061 5.3061 5.7446 5.7446 6.5137 6.5137 k = 0.0000 0.5000-0.0000 ( 5942 PWs) bands (ev): -20.7775 -20.7775 -17.6846 -17.6846 -17.6125 -17.6125 -17.4943 -17.4943 -15.7843 -15.7843 -15.6601 -15.6601 -15.6579 -15.6579 -7.8522 -7.8522 -7.7587 -7.7587 -7.1770 -7.1770 -5.5084 -5.5084 -4.7515 -4.7515 -4.5447 -4.5447 -3.7279 -3.7279 -2.6990 -2.6990 -2.6611 -2.6611 -2.5695 -2.5695 -2.0880 -2.0880 -1.8701 -1.8701 -1.6491 -1.6491 -1.5566 -1.5566 -1.3893 -1.3893 -1.1156 -1.1156 -0.9431 -0.9431 -0.1012 -0.1012 0.0701 0.0701 0.3222 0.3222 1.2431 1.2431 1.2899 1.2899 1.3910 1.3910 1.4447 1.4447 1.5650 1.5650 1.6874 1.6874 3.5574 3.5574 4.6669 4.6669 4.7699 4.7699 4.8974 4.8974 5.0555 5.0555 5.0756 5.0756 5.1014 5.1014 5.3062 5.3062 5.7459 5.7459 6.5178 6.5178 k = 0.0000 0.5000-0.0000 ( 5942 PWs) bands (ev): -20.7775 -20.7775 -17.6846 -17.6846 -17.6125 -17.6125 -17.4943 -17.4943 -15.7843 -15.7843 -15.6601 -15.6601 -15.6579 -15.6579 -7.8522 -7.8522 -7.7587 -7.7587 -7.1770 -7.1770 -5.5084 -5.5084 -4.7515 -4.7515 -4.5447 -4.5447 -3.7279 -3.7279 -2.6990 -2.6990 -2.6611 -2.6611 -2.5695 -2.5695 -2.0880 -2.0880 -1.8701 -1.8701 -1.6491 -1.6491 -1.5566 -1.5566 -1.3893 -1.3893 -1.1156 -1.1156 -0.9431 -0.9431 -0.1012 -0.1012 0.0701 0.0701 0.3222 0.3222 1.2431 1.2431 1.2899 1.2899 1.3910 1.3910 1.4447 1.4447 1.5650 1.5650 1.6874 1.6874 3.5574 3.5574 4.6669 4.6669 4.7699 4.7699 4.8974 4.8974 5.0555 5.0555 5.0756 5.0756 5.1014 5.1014 5.3062 5.3062 5.7459 5.7459 6.5178 6.5178 k = 0.0172 0.5000-0.0000 ( 5930 PWs) bands (ev): -20.7775 -20.7775 -17.6844 -17.6844 -17.6125 -17.6125 -17.4943 -17.4943 -15.7843 -15.7843 -15.6601 -15.6601 -15.6583 -15.6583 -7.8506 -7.8506 -7.7590 -7.7590 -7.1769 -7.1769 -5.5082 -5.5082 -4.7512 -4.7512 -4.5451 -4.5451 -3.7281 -3.7281 -2.7014 -2.7014 -2.6612 -2.6612 -2.5696 -2.5696 -2.0878 -2.0878 -1.8724 -1.8724 -1.6489 -1.6489 -1.5578 -1.5578 -1.3889 -1.3889 -1.1137 -1.1137 -0.9439 -0.9439 -0.1000 -0.1000 0.0706 0.0706 0.3235 0.3235 1.2417 1.2417 1.2917 1.2917 1.3899 1.3899 1.4447 1.4447 1.5637 1.5637 1.6870 1.6870 3.5589 3.5589 4.6677 4.6677 4.7706 4.7706 4.8989 4.8989 5.0561 5.0561 5.0762 5.0762 5.1013 5.1013 5.3061 5.3061 5.7477 5.7477 6.5175 6.5175 k = 0.0345 0.5000-0.0000 ( 5930 PWs) bands (ev): -20.7775 -20.7775 -17.6836 -17.6836 -17.6126 -17.6126 -17.4944 -17.4944 -15.7844 -15.7844 -15.6601 -15.6601 -15.6595 -15.6595 -7.8459 -7.8459 -7.7598 -7.7598 -7.1767 -7.1767 -5.5076 -5.5076 -4.7502 -4.7502 -4.5464 -4.5464 -3.7287 -3.7287 -2.7086 -2.7086 -2.6614 -2.6614 -2.5702 -2.5702 -2.0873 -2.0873 -1.8790 -1.8790 -1.6486 -1.6486 -1.5612 -1.5612 -1.3878 -1.3878 -1.1083 -1.1083 -0.9462 -0.9462 -0.0965 -0.0965 0.0723 0.0723 0.3272 0.3272 1.2380 1.2380 1.2965 1.2965 1.3866 1.3866 1.4447 1.4447 1.5599 1.5599 1.6857 1.6857 3.5633 3.5633 4.6698 4.6698 4.7728 4.7728 4.9032 4.9032 5.0579 5.0579 5.0780 5.0780 5.1010 5.1010 5.3057 5.3057 5.7530 5.7530 6.5165 6.5165 k = 0.0517 0.5000-0.0000 ( 5932 PWs) bands (ev): -20.7774 -20.7774 -17.6825 -17.6825 -17.6126 -17.6126 -17.4947 -17.4947 -15.7845 -15.7845 -15.6615 -15.6615 -15.6601 -15.6601 -7.8379 -7.8379 -7.7612 -7.7612 -7.1763 -7.1763 -5.5067 -5.5067 -4.7486 -4.7486 -4.5485 -4.5485 -3.7297 -3.7297 -2.7204 -2.7204 -2.6617 -2.6617 -2.5711 -2.5711 -2.0867 -2.0867 -1.8900 -1.8900 -1.6480 -1.6480 -1.5661 -1.5661 -1.3858 -1.3858 -1.1004 -1.1004 -0.9498 -0.9498 -0.0908 -0.0908 0.0750 0.0750 0.3336 0.3336 1.2330 1.2330 1.3034 1.3034 1.3812 1.3812 1.4447 1.4447 1.5535 1.5535 1.6836 1.6836 3.5707 3.5707 4.6732 4.6732 4.7764 4.7764 4.9102 4.9102 5.0604 5.0604 5.0810 5.0810 5.1010 5.1010 5.3051 5.3051 5.7619 5.7619 6.5148 6.5148 k = 0.0690 0.5000-0.0000 ( 5936 PWs) bands (ev): -20.7773 -20.7773 -17.6808 -17.6808 -17.6127 -17.6127 -17.4950 -17.4950 -15.7847 -15.7847 -15.6642 -15.6642 -15.6601 -15.6601 -7.8269 -7.8269 -7.7630 -7.7630 -7.1758 -7.1758 -5.5055 -5.5055 -4.7463 -4.7463 -4.5515 -4.5515 -3.7311 -3.7311 -2.7366 -2.7366 -2.6622 -2.6622 -2.5725 -2.5725 -2.0861 -2.0861 -1.9049 -1.9049 -1.6472 -1.6472 -1.5717 -1.5717 -1.3829 -1.3829 -1.0911 -1.0911 -0.9539 -0.9539 -0.0833 -0.0833 0.0787 0.0787 0.3425 0.3425 1.2275 1.2275 1.3117 1.3117 1.3737 1.3737 1.4447 1.4447 1.5446 1.5446 1.6808 1.6808 3.5810 3.5810 4.6780 4.6780 4.7815 4.7815 4.9195 4.9195 5.0629 5.0629 5.0851 5.0851 5.1022 5.1022 5.3043 5.3043 5.7744 5.7744 6.5125 6.5125 k = 0.0862 0.5000-0.0000 ( 5940 PWs) bands (ev): -20.7772 -20.7772 -17.6787 -17.6787 -17.6128 -17.6128 -17.4954 -17.4954 -15.7849 -15.7849 -15.6676 -15.6676 -15.6600 -15.6600 -7.8128 -7.8128 -7.7654 -7.7654 -7.1752 -7.1752 -5.5040 -5.5040 -4.7434 -4.7434 -4.5553 -4.5553 -3.7328 -3.7328 -2.7569 -2.7569 -2.6628 -2.6628 -2.5743 -2.5743 -2.0859 -2.0859 -1.9231 -1.9231 -1.6464 -1.6464 -1.5769 -1.5769 -1.3792 -1.3792 -1.0823 -1.0823 -0.9578 -0.9578 -0.0743 -0.0743 0.0831 0.0831 0.3542 0.3542 1.2217 1.2217 1.3207 1.3207 1.3644 1.3644 1.4447 1.4447 1.5333 1.5333 1.6773 1.6773 3.5940 3.5940 4.6839 4.6839 4.7879 4.7879 4.9305 4.9305 5.0640 5.0640 5.0909 5.0909 5.1058 5.1058 5.3031 5.3031 5.7905 5.7905 6.5095 6.5095 k = 0.1034 0.5000-0.0000 ( 5940 PWs) bands (ev): -20.7771 -20.7771 -17.6762 -17.6762 -17.6129 -17.6129 -17.4959 -17.4959 -15.7852 -15.7852 -15.6718 -15.6718 -15.6600 -15.6600 -7.7959 -7.7959 -7.7681 -7.7681 -7.1744 -7.1744 -5.5024 -5.5024 -4.7400 -4.7400 -4.5600 -4.5600 -3.7349 -3.7349 -2.7810 -2.7810 -2.6635 -2.6635 -2.5765 -2.5765 -2.0870 -2.0870 -1.9434 -1.9434 -1.6456 -1.6456 -1.5813 -1.5813 -1.3746 -1.3746 -1.0757 -1.0757 -0.9600 -0.9600 -0.0642 -0.0642 0.0881 0.0881 0.3686 0.3686 1.2160 1.2160 1.3299 1.3299 1.3537 1.3537 1.4447 1.4447 1.5196 1.5196 1.6733 1.6733 3.6097 3.6097 4.6910 4.6910 4.7956 4.7956 4.9426 4.9426 5.0627 5.0627 5.0991 5.0991 5.1124 5.1124 5.3017 5.3017 5.8103 5.8103 6.5059 6.5059 k = 0.1207 0.5000-0.0000 ( 5936 PWs) bands (ev): -20.7769 -20.7769 -17.6732 -17.6732 -17.6131 -17.6131 -17.4965 -17.4965 -15.7855 -15.7855 -15.6766 -15.6766 -15.6599 -15.6599 -7.7773 -7.7773 -7.7701 -7.7701 -7.1735 -7.1735 -5.5005 -5.5005 -4.7359 -4.7359 -4.5656 -4.5656 -3.7373 -3.7373 -2.8086 -2.8086 -2.6644 -2.6644 -2.5792 -2.5792 -2.0907 -2.0907 -1.9637 -1.9637 -1.6449 -1.6449 -1.5842 -1.5842 -1.3693 -1.3693 -1.0732 -1.0732 -0.9593 -0.9593 -0.0533 -0.0533 0.0936 0.0936 0.3858 0.3858 1.2104 1.2104 1.3342 1.3342 1.3464 1.3464 1.4447 1.4447 1.5038 1.5038 1.6689 1.6689 3.6279 3.6279 4.6990 4.6990 4.8046 4.8046 4.9550 4.9550 5.0590 5.0590 5.1100 5.1100 5.1220 5.1220 5.3001 5.3001 5.8337 5.8337 6.5016 6.5016 k = 0.1379 0.5000-0.0000 ( 5942 PWs) bands (ev): -20.7767 -20.7767 -17.6699 -17.6699 -17.6132 -17.6132 -17.4973 -17.4973 -15.7858 -15.7858 -15.6819 -15.6819 -15.6599 -15.6599 -7.7757 -7.7757 -7.7528 -7.7528 -7.1725 -7.1725 -5.4987 -5.4987 -4.7314 -4.7314 -4.5721 -4.5721 -3.7401 -3.7401 -2.8391 -2.8391 -2.6653 -2.6653 -2.5825 -2.5825 -2.0991 -2.0991 -1.9813 -1.9813 -1.6445 -1.6445 -1.5855 -1.5855 -1.3632 -1.3632 -1.0759 -1.0759 -0.9550 -0.9550 -0.0420 -0.0420 0.0992 0.0992 0.4056 0.4056 1.2050 1.2050 1.3228 1.3228 1.3538 1.3538 1.4445 1.4445 1.4861 1.4861 1.6641 1.6641 3.6484 3.6484 4.7079 4.7079 4.8147 4.8147 4.9672 4.9672 5.0536 5.0536 5.1231 5.1231 5.1347 5.1347 5.2981 5.2981 5.8606 5.8606 6.4967 6.4967 k = 0.1552 0.5000-0.0000 ( 5950 PWs) bands (ev): -20.7766 -20.7766 -17.6661 -17.6661 -17.6134 -17.6134 -17.4981 -17.4981 -15.7862 -15.7862 -15.6878 -15.6878 -15.6598 -15.6598 -7.7794 -7.7794 -7.7279 -7.7279 -7.1714 -7.1714 -5.4968 -5.4968 -4.7264 -4.7264 -4.5795 -4.5795 -3.7431 -3.7431 -2.8721 -2.8721 -2.6664 -2.6664 -2.5864 -2.5864 -2.1143 -2.1143 -1.9935 -1.9935 -1.6443 -1.6443 -1.5853 -1.5853 -1.3563 -1.3563 -1.0832 -1.0832 -0.9475 -0.9475 -0.0306 -0.0306 0.1049 0.1049 0.4278 0.4278 1.1999 1.1999 1.3071 1.3071 1.3643 1.3643 1.4439 1.4439 1.4670 1.4670 1.6590 1.6590 3.6711 3.6711 4.7175 4.7175 4.8259 4.8259 4.9785 4.9785 5.0468 5.0468 5.1372 5.1372 5.1513 5.1513 5.2959 5.2959 5.8910 5.8910 6.4913 6.4913 k = 0.1724 0.5000-0.0000 ( 5940 PWs) bands (ev): -20.7763 -20.7763 -17.6620 -17.6620 -17.6136 -17.6136 -17.4991 -17.4991 -15.7866 -15.7866 -15.6941 -15.6941 -15.6598 -15.6598 -7.7836 -7.7836 -7.7005 -7.7005 -7.1702 -7.1702 -5.4950 -5.4950 -4.7211 -4.7211 -4.5877 -4.5877 -3.7463 -3.7463 -2.9072 -2.9072 -2.6675 -2.6675 -2.5909 -2.5909 -2.1364 -2.1364 -1.9991 -1.9991 -1.6443 -1.6443 -1.5836 -1.5836 -1.3489 -1.3489 -1.0943 -1.0943 -0.9379 -0.9379 -0.0191 -0.0191 0.1106 0.1106 0.4522 0.4522 1.1950 1.1950 1.2898 1.2898 1.3753 1.3753 1.4387 1.4387 1.4510 1.4510 1.6537 1.6537 3.6957 3.6957 4.7277 4.7277 4.8380 4.8380 4.9886 4.9886 5.0391 5.0391 5.1517 5.1517 5.1722 5.1722 5.2933 5.2933 5.9244 5.9244 6.4854 6.4854 k = 0.1897 0.5000-0.0000 ( 5944 PWs) bands (ev): -20.7761 -20.7761 -17.6575 -17.6575 -17.6138 -17.6138 -17.5003 -17.5003 -15.7870 -15.7870 -15.7008 -15.7008 -15.6597 -15.6597 -7.7880 -7.7880 -7.6709 -7.6709 -7.1689 -7.1689 -5.4935 -5.4935 -4.7155 -4.7155 -4.5967 -4.5967 -3.7497 -3.7497 -2.9438 -2.9438 -2.6688 -2.6688 -2.5961 -2.5961 -2.1635 -2.1635 -1.9996 -1.9996 -1.6445 -1.6445 -1.5807 -1.5807 -1.3409 -1.3409 -1.1081 -1.1081 -0.9274 -0.9274 -0.0077 -0.0077 0.1160 0.1160 0.4784 0.4784 1.1903 1.1903 1.2713 1.2713 1.3863 1.3863 1.4196 1.4196 1.4476 1.4476 1.6482 1.6482 3.7219 3.7219 4.7383 4.7383 4.8511 4.8511 4.9974 4.9974 5.0307 5.0307 5.1665 5.1665 5.1967 5.1967 5.2904 5.2904 5.9606 5.9606 6.4792 6.4792 k = 0.2069 0.5000-0.0000 ( 5938 PWs) bands (ev): -20.7759 -20.7759 -17.6528 -17.6528 -17.6140 -17.6140 -17.5016 -17.5016 -15.7875 -15.7875 -15.7078 -15.7078 -15.6596 -15.6596 -7.7926 -7.7926 -7.6395 -7.6395 -7.1676 -7.1676 -5.4922 -5.4922 -4.7099 -4.7099 -4.6063 -4.6063 -3.7532 -3.7532 -2.9815 -2.9815 -2.6701 -2.6701 -2.6021 -2.6021 -2.1933 -2.1933 -1.9966 -1.9966 -1.6448 -1.6448 -1.5769 -1.5769 -1.3325 -1.3325 -1.1235 -1.1235 -0.9167 -0.9167 0.0035 0.0035 0.1211 0.1211 0.5059 0.5059 1.1859 1.1859 1.2521 1.2521 1.3936 1.3936 1.4002 1.4002 1.4474 1.4474 1.6426 1.6426 3.7496 3.7496 4.7492 4.7492 4.8650 4.8650 5.0050 5.0050 5.0218 5.0218 5.1818 5.1818 5.2242 5.2242 5.2872 5.2872 5.9989 5.9989 6.4729 6.4729 k = 0.2241 0.5000-0.0000 ( 5942 PWs) bands (ev): -20.7757 -20.7757 -17.6477 -17.6477 -17.6142 -17.6142 -17.5030 -17.5030 -15.7879 -15.7879 -15.7151 -15.7151 -15.6596 -15.6596 -7.7974 -7.7974 -7.6063 -7.6063 -7.1662 -7.1662 -5.4913 -5.4913 -4.7046 -4.7046 -4.6163 -4.6163 -3.7569 -3.7569 -3.0197 -3.0197 -2.6714 -2.6714 -2.6088 -2.6088 -2.2239 -2.2239 -1.9912 -1.9912 -1.6452 -1.6452 -1.5723 -1.5723 -1.3238 -1.3238 -1.1402 -1.1402 -0.9062 -0.9062 0.0144 0.0144 0.1259 0.1259 0.5344 0.5344 1.1816 1.1816 1.2323 1.2323 1.3710 1.3710 1.4091 1.4091 1.4479 1.4479 1.6369 1.6369 3.7783 3.7783 4.7602 4.7602 4.8795 4.8795 5.0115 5.0115 5.0126 5.0126 5.1974 5.1974 5.2541 5.2541 5.2836 5.2836 6.0385 6.0385 6.4669 6.4669 k = 0.2414 0.5000-0.0000 ( 5944 PWs) bands (ev): -20.7754 -20.7754 -17.6424 -17.6424 -17.6144 -17.6144 -17.5046 -17.5046 -15.7884 -15.7884 -15.7224 -15.7224 -15.6595 -15.6595 -7.8022 -7.8022 -7.5718 -7.5718 -7.1649 -7.1649 -5.4908 -5.4908 -4.7001 -4.7001 -4.6260 -4.6260 -3.7607 -3.7607 -3.0579 -3.0579 -2.6728 -2.6728 -2.6165 -2.6165 -2.2542 -2.2542 -1.9843 -1.9843 -1.6456 -1.6456 -1.5672 -1.5672 -1.3148 -1.3148 -1.1575 -1.1575 -0.8963 -0.8963 0.0250 0.0250 0.1304 0.1304 0.5633 0.5633 1.1774 1.1774 1.2123 1.2123 1.3457 1.3457 1.4196 1.4196 1.4488 1.4488 1.6312 1.6312 3.8078 3.8078 4.7713 4.7713 4.8946 4.8946 5.0030 5.0030 5.0171 5.0171 5.2132 5.2132 5.2792 5.2792 5.2868 5.2868 6.0782 6.0782 6.4618 6.4618 k = 0.2586 0.5000-0.0000 ( 5940 PWs) bands (ev): -20.7752 -20.7752 -17.6369 -17.6369 -17.6146 -17.6146 -17.5064 -17.5064 -15.7889 -15.7889 -15.7299 -15.7299 -15.6594 -15.6594 -7.8069 -7.8069 -7.5363 -7.5363 -7.1635 -7.1635 -5.4908 -5.4908 -4.6973 -4.6973 -4.6347 -4.6347 -3.7645 -3.7645 -3.0956 -3.0956 -2.6743 -2.6743 -2.6251 -2.6251 -2.2833 -2.2833 -1.9763 -1.9763 -1.6460 -1.6460 -1.5618 -1.5618 -1.3057 -1.3057 -1.1752 -1.1752 -0.8871 -0.8871 0.0353 0.0353 0.1345 0.1345 0.5923 0.5923 1.1727 1.1727 1.1929 1.1929 1.3200 1.3200 1.4292 1.4292 1.4505 1.4505 1.6256 1.6256 3.8378 3.8378 4.7822 4.7822 4.9102 4.9102 4.9934 4.9934 5.0218 5.0218 5.2289 5.2289 5.2755 5.2755 5.3204 5.3204 6.1164 6.1164 6.4587 6.4587 k = 0.2759 0.5000-0.0000 ( 5952 PWs) bands (ev): -20.7750 -20.7750 -17.6312 -17.6312 -17.6149 -17.6149 -17.5084 -17.5084 -15.7893 -15.7893 -15.7372 -15.7372 -15.6594 -15.6594 -7.8117 -7.8117 -7.5001 -7.5001 -7.1621 -7.1621 -5.4914 -5.4914 -4.6978 -4.6978 -4.6407 -4.6407 -3.7682 -3.7682 -3.1324 -3.1324 -2.6759 -2.6759 -2.6346 -2.6346 -2.3106 -2.3106 -1.9676 -1.9676 -1.6463 -1.6463 -1.5561 -1.5561 -1.2966 -1.2966 -1.1929 -1.1929 -0.8787 -0.8787 0.0453 0.0453 0.1383 0.1383 0.6209 0.6209 1.1642 1.1642 1.1776 1.1776 1.2942 1.2942 1.4370 1.4370 1.4540 1.4540 1.6200 1.6200 3.8678 3.8678 4.7929 4.7929 4.9260 4.9260 4.9839 4.9839 5.0260 5.0260 5.2437 5.2437 5.2715 5.2715 5.3558 5.3558 6.1509 6.1509 6.4590 6.4590 k = 0.2931 0.5000-0.0000 ( 5960 PWs) bands (ev): -20.7747 -20.7747 -17.6253 -17.6253 -17.6151 -17.6151 -17.5106 -17.5106 -15.7898 -15.7898 -15.7445 -15.7445 -15.6593 -15.6593 -7.8163 -7.8163 -7.4636 -7.4636 -7.1607 -7.1607 -5.4926 -5.4926 -4.7028 -4.7028 -4.6429 -4.6429 -3.7720 -3.7720 -3.1678 -3.1678 -2.6776 -2.6776 -2.6448 -2.6448 -2.3355 -2.3355 -1.9584 -1.9584 -1.6467 -1.6467 -1.5505 -1.5505 -1.2878 -1.2878 -1.2104 -1.2104 -0.8710 -0.8710 0.0548 0.0548 0.1418 0.1418 0.6488 0.6488 1.1477 1.1477 1.1709 1.1709 1.2686 1.2686 1.4419 1.4419 1.4601 1.4601 1.6145 1.6145 3.8975 3.8975 4.8032 4.8032 4.9422 4.9422 4.9744 4.9744 5.0295 5.0295 5.2548 5.2548 5.2707 5.2707 5.3927 5.3927 6.1789 6.1789 6.4647 6.4647 k = 0.3103 0.5000-0.0000 ( 5954 PWs) bands (ev): -20.7745 -20.7745 -17.6194 -17.6194 -17.6153 -17.6153 -17.5130 -17.5130 -15.7902 -15.7902 -15.7516 -15.7516 -15.6592 -15.6592 -7.8207 -7.8207 -7.4272 -7.4272 -7.1594 -7.1594 -5.4943 -5.4943 -4.7118 -4.7118 -4.6415 -4.6415 -3.7756 -3.7756 -3.2015 -3.2015 -2.6798 -2.6798 -2.6553 -2.6553 -2.3579 -2.3579 -1.9489 -1.9489 -1.6469 -1.6469 -1.5449 -1.5449 -1.2795 -1.2795 -1.2271 -1.2271 -0.8642 -0.8642 0.0639 0.0639 0.1451 0.1451 0.6756 0.6756 1.1290 1.1290 1.1672 1.1672 1.2435 1.2435 1.4445 1.4445 1.4680 1.4680 1.6092 1.6092 3.9265 3.9265 4.8132 4.8132 4.9584 4.9584 4.9652 4.9652 5.0326 5.0326 5.2550 5.2550 5.2798 5.2798 5.4308 5.4308 6.1980 6.1980 6.4777 6.4777 k = 0.3276 0.5000-0.0000 ( 5956 PWs) bands (ev): -20.7743 -20.7743 -17.6156 -17.6156 -17.6132 -17.6132 -17.5156 -17.5156 -15.7907 -15.7907 -15.7583 -15.7583 -15.6592 -15.6592 -7.8250 -7.8250 -7.3914 -7.3914 -7.1582 -7.1582 -5.4967 -5.4967 -4.7235 -4.7235 -4.6377 -4.6377 -3.7790 -3.7790 -3.2332 -3.2332 -2.6832 -2.6832 -2.6653 -2.6653 -2.3775 -2.3775 -1.9392 -1.9392 -1.6471 -1.6471 -1.5396 -1.5396 -1.2727 -1.2727 -1.2420 -1.2420 -0.8582 -0.8582 0.0725 0.0725 0.1481 0.1481 0.7011 0.7011 1.1106 1.1106 1.1642 1.1642 1.2192 1.2192 1.4461 1.4461 1.4765 1.4765 1.6042 1.6042 3.9545 3.9545 4.8226 4.8226 4.9564 4.9564 4.9746 4.9746 5.0353 5.0353 5.2500 5.2500 5.2929 5.2929 5.4699 5.4699 6.2067 6.2067 6.4984 6.4984 k = 0.3448 0.5000-0.0000 ( 5968 PWs) bands (ev): -20.7741 -20.7741 -17.6157 -17.6157 -17.6071 -17.6071 -17.5184 -17.5184 -15.7911 -15.7911 -15.7647 -15.7647 -15.6591 -15.6591 -7.8290 -7.8290 -7.3566 -7.3566 -7.1570 -7.1570 -5.4996 -5.4996 -4.7364 -4.7364 -4.6329 -4.6329 -3.7823 -3.7823 -3.2625 -3.2625 -2.6895 -2.6895 -2.6725 -2.6725 -2.3946 -2.3946 -1.9296 -1.9296 -1.6473 -1.6473 -1.5347 -1.5347 -1.2717 -1.2717 -1.2508 -1.2508 -0.8529 -0.8529 0.0805 0.0805 0.1508 0.1508 0.7251 0.7251 1.0931 1.0931 1.1615 1.1615 1.1960 1.1960 1.4473 1.4473 1.4848 1.4848 1.5994 1.5994 3.9811 3.9811 4.8315 4.8315 4.9479 4.9479 4.9905 4.9905 5.0376 5.0376 5.2437 5.2437 5.3061 5.3061 5.5099 5.5099 6.2056 6.2056 6.5255 6.5255 k = 0.3621 0.5000-0.0000 ( 5966 PWs) bands (ev): -20.7739 -20.7739 -17.6159 -17.6159 -17.6010 -17.6010 -17.5215 -17.5215 -15.7914 -15.7914 -15.7706 -15.7706 -15.6590 -15.6590 -7.8326 -7.8326 -7.3233 -7.3233 -7.1560 -7.1560 -5.5029 -5.5029 -4.7497 -4.7497 -4.6277 -4.6277 -3.7854 -3.7854 -3.2891 -3.2891 -2.6992 -2.6992 -2.6763 -2.6763 -2.4090 -2.4090 -1.9203 -1.9203 -1.6473 -1.6473 -1.5301 -1.5301 -1.2811 -1.2811 -1.2487 -1.2487 -0.8483 -0.8483 0.0879 0.0879 0.1533 0.1533 0.7473 0.7473 1.0768 1.0768 1.1585 1.1585 1.1746 1.1746 1.4482 1.4482 1.4927 1.4927 1.5950 1.5950 4.0058 4.0058 4.8398 4.8398 4.9400 4.9400 5.0062 5.0062 5.0397 5.0397 5.2367 5.2367 5.3185 5.3185 5.5504 5.5504 6.1965 6.1965 6.5565 6.5565 k = 0.3793 0.5000-0.0000 ( 5964 PWs) bands (ev): -20.7737 -20.7737 -17.6160 -17.6160 -17.5949 -17.5949 -17.5248 -17.5248 -15.7918 -15.7918 -15.7761 -15.7761 -15.6590 -15.6590 -7.8360 -7.8360 -7.2922 -7.2922 -7.1551 -7.1551 -5.5065 -5.5065 -4.7627 -4.7627 -4.6226 -4.6226 -3.7882 -3.7882 -3.3129 -3.3129 -2.7101 -2.7101 -2.6784 -2.6784 -2.4211 -2.4211 -1.9113 -1.9113 -1.6473 -1.6473 -1.5261 -1.5261 -1.2934 -1.2934 -1.2431 -1.2431 -0.8443 -0.8443 0.0946 0.0946 0.1555 0.1555 0.7677 0.7677 1.0619 1.0619 1.1498 1.1498 1.1608 1.1608 1.4491 1.4491 1.4998 1.4998 1.5909 1.5909 4.0285 4.0285 4.8474 4.8474 4.9325 4.9325 5.0212 5.0212 5.0418 5.0418 5.2293 5.2293 5.3299 5.3299 5.5911 5.5911 6.1815 6.1815 6.5887 6.5887 k = 0.3966 0.5000-0.0000 ( 5952 PWs) bands (ev): -20.7736 -20.7736 -17.6162 -17.6162 -17.5888 -17.5888 -17.5284 -17.5284 -15.7921 -15.7921 -15.7809 -15.7809 -15.6589 -15.6589 -7.8389 -7.8389 -7.2636 -7.2636 -7.1544 -7.1544 -5.5104 -5.5104 -4.7749 -4.7749 -4.6177 -4.6177 -3.7907 -3.7907 -3.3338 -3.3338 -2.7209 -2.7209 -2.6798 -2.6798 -2.4311 -2.4311 -1.9030 -1.9030 -1.6473 -1.6473 -1.5227 -1.5227 -1.3053 -1.3053 -1.2374 -1.2374 -0.8410 -0.8410 0.1006 0.1006 0.1576 0.1576 0.7859 0.7859 1.0487 1.0487 1.1325 1.1325 1.1575 1.1575 1.4500 1.4500 1.5062 1.5062 1.5872 1.5872 4.0487 4.0487 4.8544 4.8544 4.9257 4.9257 5.0343 5.0343 5.0449 5.0449 5.2215 5.2215 5.3401 5.3401 5.6317 5.6317 6.1623 6.1623 6.6201 6.6201 k = 0.4138 0.5000-0.0000 ( 5956 PWs) bands (ev): -20.7734 -20.7734 -17.6163 -17.6163 -17.5828 -17.5828 -17.5322 -17.5322 -15.7923 -15.7923 -15.7851 -15.7851 -15.6589 -15.6589 -7.8415 -7.8415 -7.2381 -7.2381 -7.1538 -7.1538 -5.5141 -5.5141 -4.7859 -4.7859 -4.6134 -4.6134 -3.7929 -3.7929 -3.3516 -3.3516 -2.7308 -2.7308 -2.6808 -2.6808 -2.4391 -2.4391 -1.8955 -1.8955 -1.6472 -1.6472 -1.5199 -1.5199 -1.3158 -1.3158 -1.2321 -1.2321 -0.8382 -0.8382 0.1057 0.1057 0.1593 0.1593 0.8019 0.8019 1.0373 1.0373 1.1159 1.1159 1.1558 1.1558 1.4507 1.4507 1.5118 1.5118 1.5840 1.5840 4.0663 4.0663 4.8607 4.8607 4.9195 4.9195 5.0409 5.0409 5.0535 5.0535 5.2136 5.2136 5.3490 5.3490 5.6713 5.6713 6.1400 6.1400 6.6489 6.6489 k = 0.4310 0.5000-0.0000 ( 5952 PWs) bands (ev): -20.7733 -20.7733 -17.6164 -17.6164 -17.5769 -17.5769 -17.5363 -17.5363 -15.7926 -15.7926 -15.7886 -15.7886 -15.6589 -15.6589 -7.8436 -7.8436 -7.2163 -7.2163 -7.1536 -7.1536 -5.5177 -5.5177 -4.7955 -4.7955 -4.6097 -4.6097 -3.7947 -3.7947 -3.3662 -3.3662 -2.7395 -2.7395 -2.6816 -2.6816 -2.4454 -2.4454 -1.8890 -1.8890 -1.6470 -1.6470 -1.5177 -1.5177 -1.3247 -1.3247 -1.2276 -1.2276 -0.8360 -0.8360 0.1099 0.1099 0.1609 0.1609 0.8154 0.8154 1.0278 1.0278 1.1014 1.1014 1.1546 1.1546 1.4513 1.4513 1.5164 1.5164 1.5813 1.5813 4.0810 4.0810 4.8662 4.8662 4.9140 4.9140 5.0430 5.0430 5.0654 5.0654 5.2057 5.2057 5.3564 5.3564 5.7091 5.7091 6.1163 6.1163 6.6740 6.6740 k = 0.4483 0.5000-0.0000 ( 5952 PWs) bands (ev): -20.7732 -20.7732 -17.6165 -17.6165 -17.5712 -17.5712 -17.5406 -17.5406 -15.7927 -15.7927 -15.7914 -15.7914 -15.6588 -15.6588 -7.8453 -7.8453 -7.1984 -7.1984 -7.1537 -7.1537 -5.5207 -5.5207 -4.8032 -4.8032 -4.6067 -4.6067 -3.7962 -3.7962 -3.3776 -3.3776 -2.7465 -2.7465 -2.6822 -2.6822 -2.4501 -2.4501 -1.8837 -1.8837 -1.6469 -1.6469 -1.5161 -1.5161 -1.3318 -1.3318 -1.2241 -1.2241 -0.8344 -0.8344 0.1133 0.1133 0.1621 0.1621 0.8263 0.8263 1.0204 1.0204 1.0895 1.0895 1.1536 1.1536 1.4518 1.4518 1.5200 1.5200 1.5792 1.5792 4.0926 4.0926 4.8710 4.8710 4.9092 4.9092 5.0440 5.0440 5.0765 5.0765 5.1983 5.1983 5.3622 5.3622 5.7436 5.7436 6.0926 6.0926 6.6944 6.6944 k = 0.4655 0.5000-0.0000 ( 5952 PWs) bands (ev): -20.7732 -20.7732 -17.6165 -17.6165 -17.5656 -17.5656 -17.5451 -17.5451 -15.7934 -15.7934 -15.7928 -15.7928 -15.6588 -15.6588 -7.8465 -7.8465 -7.1848 -7.1848 -7.1543 -7.1543 -5.5231 -5.5231 -4.8088 -4.8088 -4.6045 -4.6045 -3.7972 -3.7972 -3.3858 -3.3858 -2.7516 -2.7516 -2.6826 -2.6826 -2.4534 -2.4534 -1.8798 -1.8798 -1.6468 -1.6468 -1.5151 -1.5151 -1.3369 -1.3369 -1.2215 -1.2215 -0.8332 -0.8332 0.1157 0.1157 0.1630 0.1630 0.8343 0.8343 1.0151 1.0151 1.0806 1.0806 1.1530 1.1530 1.4522 1.4522 1.5227 1.5227 1.5776 1.5776 4.1010 4.1010 4.8749 4.8749 4.9053 4.9053 5.0446 5.0446 5.0857 5.0857 5.1919 5.1919 5.3664 5.3664 5.7726 5.7726 6.0713 6.0713 6.7094 6.7094 k = 0.4828 0.5000-0.0000 ( 5936 PWs) bands (ev): -20.7731 -20.7731 -17.6166 -17.6166 -17.5602 -17.5602 -17.5499 -17.5499 -15.7946 -15.7946 -15.7929 -15.7929 -15.6588 -15.6588 -7.8472 -7.8472 -7.1759 -7.1759 -7.1553 -7.1553 -5.5245 -5.5245 -4.8123 -4.8123 -4.6032 -4.6032 -3.7979 -3.7979 -3.3907 -3.3907 -2.7548 -2.7548 -2.6828 -2.6828 -2.4553 -2.4553 -1.8774 -1.8774 -1.6467 -1.6467 -1.5145 -1.5145 -1.3400 -1.3400 -1.2199 -1.2199 -0.8325 -0.8325 0.1171 0.1171 0.1635 0.1635 0.8392 0.8392 1.0119 1.0119 1.0751 1.0751 1.1526 1.1526 1.4525 1.4525 1.5243 1.5243 1.5767 1.5767 4.1061 4.1061 4.8776 4.8776 4.9026 4.9026 5.0449 5.0449 5.0918 5.0918 5.1874 5.1874 5.3690 5.3690 5.7927 5.7927 6.0558 6.0558 6.7186 6.7186 k = 0.5000 0.5000-0.0000 ( 5912 PWs) bands (ev): -20.7731 -20.7731 -17.6166 -17.6166 -17.5557 -17.5557 -17.5541 -17.5541 -15.7950 -15.7950 -15.7929 -15.7929 -15.6588 -15.6588 -7.8475 -7.8475 -7.1726 -7.1726 -7.1559 -7.1559 -5.5251 -5.5251 -4.8135 -4.8135 -4.6027 -4.6027 -3.7981 -3.7981 -3.3923 -3.3923 -2.7558 -2.7558 -2.6829 -2.6829 -2.4560 -2.4560 -1.8765 -1.8765 -1.6466 -1.6466 -1.5143 -1.5143 -1.3410 -1.3410 -1.2193 -1.2193 -0.8322 -0.8322 0.1176 0.1176 0.1637 0.1637 0.8409 0.8409 1.0109 1.0109 1.0732 1.0732 1.1525 1.1525 1.4526 1.4526 1.5248 1.5248 1.5764 1.5764 4.1078 4.1078 4.8786 4.8786 4.9016 4.9016 5.0451 5.0451 5.0940 5.0940 5.1858 5.1858 5.3698 5.3698 5.8001 5.8001 6.0501 6.0501 6.7218 6.7218 k = 0.5000 0.5000-0.0000 ( 5912 PWs) bands (ev): -20.7731 -20.7731 -17.6166 -17.6166 -17.5557 -17.5557 -17.5541 -17.5541 -15.7950 -15.7950 -15.7929 -15.7929 -15.6588 -15.6588 -7.8475 -7.8475 -7.1726 -7.1726 -7.1559 -7.1559 -5.5251 -5.5251 -4.8135 -4.8135 -4.6027 -4.6027 -3.7981 -3.7981 -3.3923 -3.3923 -2.7558 -2.7558 -2.6829 -2.6829 -2.4560 -2.4560 -1.8765 -1.8765 -1.6466 -1.6466 -1.5143 -1.5143 -1.3410 -1.3410 -1.2193 -1.2193 -0.8322 -0.8322 0.1176 0.1176 0.1637 0.1637 0.8409 0.8409 1.0109 1.0109 1.0732 1.0732 1.1525 1.1525 1.4526 1.4526 1.5248 1.5248 1.5764 1.5764 4.1078 4.1078 4.8786 4.8786 4.9016 4.9016 5.0451 5.0451 5.0940 5.0940 5.1858 5.1858 5.3698 5.3698 5.8001 5.8001 6.0501 6.0501 6.7218 6.7218 k = 0.4878 0.4878-0.0000 ( 5940 PWs) bands (ev): -20.7731 -20.7731 -17.6168 -17.6168 -17.5586 -17.5586 -17.5513 -17.5513 -15.7950 -15.7950 -15.7926 -15.7926 -15.6588 -15.6588 -7.8474 -7.8474 -7.1743 -7.1743 -7.1566 -7.1566 -5.5248 -5.5248 -4.8128 -4.8128 -4.6029 -4.6029 -3.7963 -3.7963 -3.3919 -3.3919 -2.7548 -2.7548 -2.6829 -2.6829 -2.4555 -2.4555 -1.8769 -1.8769 -1.6465 -1.6465 -1.5144 -1.5144 -1.3407 -1.3407 -1.2196 -1.2196 -0.8325 -0.8325 0.1171 0.1171 0.1635 0.1635 0.8389 0.8389 1.0118 1.0118 1.0752 1.0752 1.1526 1.1526 1.4529 1.4529 1.5243 1.5243 1.5767 1.5767 4.1062 4.1062 4.8781 4.8781 4.9020 4.9020 5.0444 5.0444 5.0929 5.0929 5.1865 5.1865 5.3692 5.3692 5.7964 5.7964 6.0512 6.0512 6.7197 6.7197 k = 0.4756 0.4756-0.0000 ( 5960 PWs) bands (ev): -20.7732 -20.7732 -17.6174 -17.6174 -17.5621 -17.5621 -17.5478 -17.5478 -15.7948 -15.7948 -15.7915 -15.7915 -15.6588 -15.6588 -7.8470 -7.8470 -7.1792 -7.1792 -7.1589 -7.1589 -5.5240 -5.5240 -4.8109 -4.8109 -4.6034 -4.6034 -3.7908 -3.7908 -3.3907 -3.3907 -2.7516 -2.7516 -2.6829 -2.6829 -2.4542 -2.4542 -1.8779 -1.8779 -1.6463 -1.6463 -1.5148 -1.5148 -1.3396 -1.3396 -1.2203 -1.2203 -0.8334 -0.8334 0.1157 0.1157 0.1629 0.1629 0.8333 0.8333 1.0144 1.0144 1.0810 1.0810 1.1531 1.1531 1.4538 1.4538 1.5227 1.5227 1.5776 1.5776 4.1014 4.1014 4.8765 4.8765 4.9031 4.9031 5.0424 5.0424 5.0896 5.0896 5.1885 5.1885 5.3674 5.3674 5.7858 5.7858 6.0544 6.0544 6.7136 6.7136 k = 0.4634 0.4634-0.0000 ( 5952 PWs) bands (ev): -20.7732 -20.7732 -17.6184 -17.6184 -17.5653 -17.5653 -17.5445 -17.5445 -15.7942 -15.7942 -15.7899 -15.7899 -15.6588 -15.6588 -7.8465 -7.8465 -7.1871 -7.1871 -7.1630 -7.1630 -5.5228 -5.5228 -4.8078 -4.8078 -4.6042 -4.6042 -3.7818 -3.7818 -3.3886 -3.3886 -2.7464 -2.7464 -2.6827 -2.6827 -2.4519 -2.4519 -1.8796 -1.8796 -1.6459 -1.6459 -1.5154 -1.5154 -1.3379 -1.3379 -1.2213 -1.2213 -0.8349 -0.8349 0.1133 0.1133 0.1620 0.1620 0.8243 0.8243 1.0189 1.0189 1.0901 1.0901 1.1539 1.1539 1.4553 1.4553 1.5200 1.5200 1.5792 1.5792 4.0934 4.0934 4.8742 4.8742 4.9047 4.9047 5.0391 5.0391 5.0845 5.0845 5.1915 5.1915 5.3643 5.3643 5.7693 5.7693 6.0587 6.0587 6.7035 6.7035 k = 0.4512 0.4512-0.0000 ( 5952 PWs) bands (ev): -20.7733 -20.7733 -17.6200 -17.6200 -17.5684 -17.5684 -17.5413 -17.5413 -15.7933 -15.7933 -15.7879 -15.7879 -15.6588 -15.6588 -7.8457 -7.8457 -7.1976 -7.1976 -7.1689 -7.1689 -5.5211 -5.5211 -4.8035 -4.8035 -4.6054 -4.6054 -3.7694 -3.7694 -3.3856 -3.3856 -2.7390 -2.7390 -2.6826 -2.6826 -2.4488 -2.4488 -1.8818 -1.8818 -1.6454 -1.6454 -1.5163 -1.5163 -1.3355 -1.3355 -1.2225 -1.2225 -0.8369 -0.8369 0.1099 0.1099 0.1606 0.1606 0.8123 0.8123 1.0252 1.0252 1.1019 1.1019 1.1550 1.1550 1.4574 1.4574 1.5165 1.5165 1.5812 1.5812 4.0822 4.0822 4.8712 4.8712 4.9068 4.9068 5.0346 5.0346 5.0778 5.0778 5.1953 5.1953 5.3599 5.3599 5.7483 5.7483 6.0630 6.0630 6.6894 6.6894 k = 0.4390 0.4390-0.0000 ( 5960 PWs) bands (ev): -20.7734 -20.7734 -17.6221 -17.6221 -17.5710 -17.5710 -17.5383 -17.5383 -15.7919 -15.7919 -15.7855 -15.7855 -15.6588 -15.6588 -7.8447 -7.8447 -7.2106 -7.2106 -7.1768 -7.1768 -5.5192 -5.5192 -4.7982 -4.7982 -4.6068 -4.6068 -3.7535 -3.7535 -3.3816 -3.3816 -2.7298 -2.7298 -2.6823 -2.6823 -2.4448 -2.4448 -1.8846 -1.8846 -1.6449 -1.6449 -1.5174 -1.5174 -1.3327 -1.3327 -1.2238 -1.2238 -0.8395 -0.8395 0.1057 0.1057 0.1589 0.1589 0.7978 0.7978 1.0332 1.0332 1.1160 1.1160 1.1565 1.1565 1.4600 1.4600 1.5121 1.5121 1.5836 1.5836 4.0676 4.0676 4.8678 4.8678 4.9091 4.9091 5.0288 5.0288 5.0698 5.0698 5.1995 5.1995 5.3541 5.3541 5.7240 5.7240 6.0663 6.0663 6.6715 6.6715 k = 0.4268 0.4268-0.0000 ( 5962 PWs) bands (ev): -20.7736 -20.7736 -17.6249 -17.6249 -17.5731 -17.5731 -17.5355 -17.5355 -15.7902 -15.7902 -15.7827 -15.7827 -15.6588 -15.6588 -7.8435 -7.8435 -7.2257 -7.2257 -7.1864 -7.1864 -5.5170 -5.5170 -4.7921 -4.7921 -4.6085 -4.6085 -3.7344 -3.7344 -3.3765 -3.3765 -2.7186 -2.7186 -2.6819 -2.6819 -2.4399 -2.4399 -1.8878 -1.8878 -1.6445 -1.6445 -1.5186 -1.5186 -1.3295 -1.3295 -1.2249 -1.2249 -0.8425 -0.8425 0.1006 0.1006 0.1567 0.1567 0.7812 0.7812 1.0428 1.0428 1.1318 1.1318 1.1585 1.1585 1.4632 1.4632 1.5070 1.5070 1.5864 1.5864 4.0497 4.0497 4.8640 4.8640 4.9116 4.9116 5.0220 5.0220 5.0608 5.0608 5.2040 5.2040 5.3467 5.3467 5.6978 5.6978 6.0677 6.0677 6.6499 6.6499 k = 0.4146 0.4146-0.0000 ( 5958 PWs) bands (ev): -20.7737 -20.7737 -17.6282 -17.6282 -17.5747 -17.5747 -17.5330 -17.5330 -15.7880 -15.7880 -15.7796 -15.7796 -15.6588 -15.6588 -7.8421 -7.8421 -7.2429 -7.2429 -7.1978 -7.1978 -5.5148 -5.5148 -4.7853 -4.7853 -4.6105 -4.6105 -3.7122 -3.7122 -3.3702 -3.3702 -2.7060 -2.7060 -2.6809 -2.6809 -2.4341 -2.4341 -1.8913 -1.8913 -1.6443 -1.6443 -1.5200 -1.5200 -1.3262 -1.3262 -1.2255 -1.2255 -0.8461 -0.8461 0.0945 0.0945 0.1542 0.1542 0.7627 0.7627 1.0539 1.0539 1.1481 1.1481 1.1617 1.1617 1.4668 1.4668 1.5014 1.5014 1.5895 1.5895 4.0283 4.0283 4.8600 4.8600 4.9142 4.9142 5.0141 5.0141 5.0509 5.0509 5.2086 5.2086 5.3377 5.3377 5.6707 5.6707 6.0668 6.0668 6.6247 6.6247 k = 0.4024 0.4024-0.0000 ( 5962 PWs) bands (ev): -20.7739 -20.7739 -17.6322 -17.6322 -17.5757 -17.5757 -17.5308 -17.5308 -15.7854 -15.7854 -15.7761 -15.7761 -15.6588 -15.6588 -7.8406 -7.8406 -7.2618 -7.2618 -7.2107 -7.2107 -5.5127 -5.5127 -4.7780 -4.7780 -4.6126 -4.6126 -3.6871 -3.6871 -3.3626 -3.3626 -2.6934 -2.6934 -2.6781 -2.6781 -2.4275 -2.4275 -1.8950 -1.8950 -1.6444 -1.6444 -1.5215 -1.5215 -1.3230 -1.3230 -1.2252 -1.2252 -0.8501 -0.8501 0.0877 0.0877 0.1514 0.1514 0.7426 0.7426 1.0661 1.0661 1.1590 1.1590 1.1719 1.1719 1.4706 1.4706 1.4954 1.4954 1.5929 1.5929 4.0035 4.0035 4.8558 4.8558 4.9167 4.9167 5.0054 5.0054 5.0402 5.0402 5.2132 5.2132 5.3269 5.3269 5.6435 5.6435 6.0630 6.0630 6.5962 6.5962 k = 0.3902 0.3902-0.0000 ( 5974 PWs) bands (ev): -20.7741 -20.7741 -17.6368 -17.6368 -17.5763 -17.5763 -17.5288 -17.5288 -15.7824 -15.7824 -15.7724 -15.7724 -15.6589 -15.6589 -7.8389 -7.8389 -7.2824 -7.2824 -7.2251 -7.2251 -5.5106 -5.5106 -4.7704 -4.7704 -4.6150 -4.6150 -3.6593 -3.6593 -3.3535 -3.3535 -2.6863 -2.6863 -2.6678 -2.6678 -2.4201 -2.4201 -1.8988 -1.8988 -1.6449 -1.6449 -1.5230 -1.5230 -1.3202 -1.3202 -1.2238 -1.2238 -0.8545 -0.8545 0.0801 0.0801 0.1481 0.1481 0.7211 0.7211 1.0793 1.0793 1.1629 1.1629 1.1904 1.1904 1.4739 1.4739 1.4898 1.4898 1.5966 1.5966 3.9751 3.9751 4.8514 4.8514 4.9189 4.9189 4.9962 4.9962 5.0289 5.0289 5.2176 5.2176 5.3143 5.3143 5.6170 5.6170 6.0563 6.0563 6.5644 6.5644 k = 0.3780 0.3780-0.0000 ( 5974 PWs) bands (ev): -20.7744 -20.7744 -17.6418 -17.6418 -17.5763 -17.5763 -17.5270 -17.5270 -15.7791 -15.7791 -15.7684 -15.7684 -15.6589 -15.6589 -7.8372 -7.8372 -7.3043 -7.3043 -7.2406 -7.2406 -5.5089 -5.5089 -4.7628 -4.7628 -4.6175 -4.6175 -3.6289 -3.6289 -3.3429 -3.3429 -2.6843 -2.6843 -2.6507 -2.6507 -2.4118 -2.4118 -1.9028 -1.9028 -1.6458 -1.6458 -1.5245 -1.5245 -1.3180 -1.3180 -1.2208 -1.2208 -0.8593 -0.8593 0.0717 0.0717 0.1445 0.1445 0.6982 0.6982 1.0932 1.0932 1.1660 1.1660 1.2108 1.2108 1.4736 1.4736 1.4878 1.4878 1.6006 1.6006 3.9432 3.9432 4.8469 4.8469 4.9204 4.9204 4.9872 4.9872 5.0171 5.0171 5.2219 5.2219 5.2998 5.2998 5.5919 5.5919 6.0463 6.0463 6.5297 6.5297 k = 0.3659 0.3659-0.0000 ( 5968 PWs) bands (ev): -20.7746 -20.7746 -17.6471 -17.6471 -17.5760 -17.5760 -17.5256 -17.5256 -15.7755 -15.7755 -15.7642 -15.7642 -15.6589 -15.6589 -7.8353 -7.8353 -7.3273 -7.3273 -7.2572 -7.2572 -5.5074 -5.5074 -4.7555 -4.7555 -4.6201 -4.6201 -3.5963 -3.5963 -3.3305 -3.3305 -2.6835 -2.6835 -2.6307 -2.6307 -2.4028 -2.4028 -1.9066 -1.9066 -1.6472 -1.6472 -1.5260 -1.5260 -1.3163 -1.3163 -1.2161 -1.2161 -0.8643 -0.8643 0.0627 0.0627 0.1405 0.1405 0.6740 0.6740 1.1076 1.1076 1.1692 1.1692 1.2323 1.2323 1.4679 1.4679 1.4910 1.4910 1.6049 1.6049 3.9077 3.9077 4.8423 4.8423 4.9201 4.9201 4.9791 4.9791 5.0050 5.0050 5.2260 5.2260 5.2836 5.2836 5.5687 5.5687 6.0332 6.0332 6.4922 6.4922 k = 0.3537 0.3537-0.0000 ( 5970 PWs) bands (ev): -20.7749 -20.7749 -17.6528 -17.6528 -17.5753 -17.5753 -17.5243 -17.5243 -15.7715 -15.7715 -15.7598 -15.7598 -15.6589 -15.6589 -7.8334 -7.8334 -7.3514 -7.3514 -7.2746 -7.2746 -5.5064 -5.5064 -4.7486 -4.7486 -4.6229 -4.6229 -3.5617 -3.5617 -3.3164 -3.3164 -2.6830 -2.6830 -2.6089 -2.6089 -2.3930 -2.3930 -1.9105 -1.9105 -1.6492 -1.6492 -1.5275 -1.5275 -1.3152 -1.3152 -1.2096 -1.2096 -0.8695 -0.8695 0.0529 0.0529 0.1362 0.1362 0.6488 0.6488 1.1221 1.1221 1.1726 1.1726 1.2544 1.2544 1.4600 1.4600 1.4965 1.4965 1.6094 1.6094 3.8688 3.8688 4.8375 4.8375 4.9170 4.9170 4.9731 4.9731 4.9929 4.9929 5.2297 5.2297 5.2662 5.2662 5.5475 5.5475 6.0169 6.0169 6.4522 6.4522 k = 0.3415 0.3415-0.0000 ( 5960 PWs) bands (ev): -20.7752 -20.7752 -17.6587 -17.6587 -17.5744 -17.5744 -17.5234 -17.5234 -15.7672 -15.7672 -15.7552 -15.7552 -15.6589 -15.6589 -7.8315 -7.8315 -7.3761 -7.3761 -7.2926 -7.2926 -5.5057 -5.5057 -4.7423 -4.7423 -4.6257 -4.6257 -3.5252 -3.5252 -3.3004 -3.3004 -2.6825 -2.6825 -2.5855 -2.5855 -2.3824 -2.3824 -1.9141 -1.9141 -1.6517 -1.6517 -1.5290 -1.5290 -1.3144 -1.3144 -1.2016 -1.2016 -0.8749 -0.8749 0.0426 0.0426 0.1316 0.1316 0.6225 0.6225 1.1365 1.1365 1.1763 1.1763 1.2770 1.2770 1.4512 1.4512 1.5028 1.5028 1.6142 1.6142 3.8264 3.8264 4.8324 4.8324 4.9103 4.9103 4.9683 4.9683 4.9825 4.9825 5.2325 5.2325 5.2486 5.2486 5.5283 5.5283 5.9975 5.9975 6.4100 6.4100 k = 0.3293 0.3293-0.0000 ( 5960 PWs) bands (ev): -20.7755 -20.7755 -17.6648 -17.6648 -17.5732 -17.5732 -17.5226 -17.5226 -15.7627 -15.7627 -15.7505 -15.7505 -15.6589 -15.6589 -7.8295 -7.8295 -7.4015 -7.4015 -7.3110 -7.3110 -5.5056 -5.5056 -4.7369 -4.7369 -4.6287 -4.6287 -3.4872 -3.4872 -3.2825 -3.2825 -2.6822 -2.6822 -2.5607 -2.5607 -2.3711 -2.3711 -1.9176 -1.9176 -1.6547 -1.6547 -1.5305 -1.5305 -1.3136 -1.3136 -1.1922 -1.1922 -0.8803 -0.8803 0.0317 0.0317 0.1265 0.1265 0.5953 0.5953 1.1502 1.1502 1.1806 1.1806 1.3000 1.3000 1.4418 1.4418 1.5097 1.5097 1.6192 1.6192 3.7807 3.7807 4.8268 4.8268 4.9003 4.9003 4.9597 4.9597 4.9788 4.9788 5.2258 5.2258 5.2398 5.2398 5.5111 5.5111 5.9751 5.9751 6.3658 6.3658 k = 0.3171 0.3171-0.0000 ( 5968 PWs) bands (ev): -20.7758 -20.7758 -17.6710 -17.6710 -17.5718 -17.5718 -17.5221 -17.5221 -15.7580 -15.7580 -15.7457 -15.7457 -15.6589 -15.6589 -7.8277 -7.8277 -7.4272 -7.4272 -7.3297 -7.3297 -5.5060 -5.5060 -4.7324 -4.7324 -4.6317 -4.6317 -3.4479 -3.4479 -3.2627 -3.2627 -2.6818 -2.6818 -2.5348 -2.5348 -2.3591 -2.3591 -1.9209 -1.9209 -1.6583 -1.6583 -1.5323 -1.5323 -1.3125 -1.3125 -1.1815 -1.1815 -0.8856 -0.8856 0.0203 0.0203 0.1212 0.1212 0.5673 0.5673 1.1627 1.1627 1.1858 1.1858 1.3232 1.3232 1.4321 1.4321 1.5170 1.5170 1.6245 1.6245 3.7319 3.7319 4.8207 4.8207 4.8881 4.8881 4.9471 4.9471 4.9811 4.9811 5.2084 5.2084 5.2419 5.2419 5.4956 5.4956 5.9499 5.9499 6.3198 6.3198 k = 0.3049 0.3049-0.0000 ( 5958 PWs) bands (ev): -20.7762 -20.7762 -17.6772 -17.6772 -17.5702 -17.5702 -17.5218 -17.5218 -15.7530 -15.7530 -15.7407 -15.7407 -15.6590 -15.6590 -7.8259 -7.8259 -7.4532 -7.4532 -7.3485 -7.3485 -5.5068 -5.5068 -4.7290 -4.7290 -4.6349 -4.6349 -3.4075 -3.4075 -3.2409 -3.2409 -2.6814 -2.6814 -2.5079 -2.5079 -2.3463 -2.3463 -1.9239 -1.9239 -1.6624 -1.6624 -1.5343 -1.5343 -1.3105 -1.3105 -1.1699 -1.1699 -0.8909 -0.8909 0.0084 0.0084 0.1155 0.1155 0.5385 0.5385 1.1730 1.1730 1.1926 1.1926 1.3465 1.3465 1.4221 1.4221 1.5247 1.5247 1.6300 1.6300 3.6802 3.6802 4.8137 4.8137 4.8747 4.8747 4.9332 4.9332 4.9860 4.9860 5.1910 5.1910 5.2447 5.2447 5.4815 5.4815 5.9222 5.9222 6.2724 6.2724 k = 0.2927 0.2927-0.0000 ( 5948 PWs) bands (ev): -20.7765 -20.7765 -17.6835 -17.6835 -17.5686 -17.5686 -17.5217 -17.5217 -15.7479 -15.7479 -15.7358 -15.7358 -15.6590 -15.6590 -7.8243 -7.8243 -7.4792 -7.4792 -7.3671 -7.3671 -5.5082 -5.5082 -4.7265 -4.7265 -4.6383 -4.6383 -3.3663 -3.3663 -3.2173 -3.2173 -2.6810 -2.6810 -2.4801 -2.4801 -2.3329 -2.3329 -1.9266 -1.9266 -1.6668 -1.6668 -1.5368 -1.5368 -1.3075 -1.3075 -1.1576 -1.1576 -0.8959 -0.8959 -0.0039 -0.0039 0.1095 0.1095 0.5091 0.5091 1.1806 1.1806 1.2014 1.2014 1.3694 1.3694 1.4121 1.4121 1.5326 1.5326 1.6358 1.6358 3.6257 3.6257 4.8057 4.8057 4.8608 4.8608 4.9189 4.9189 4.9922 4.9922 5.1750 5.1750 5.2476 5.2476 5.4686 5.4686 5.8921 5.8921 6.2239 6.2239 k = 0.2805 0.2805-0.0000 ( 5938 PWs) bands (ev): -20.7769 -20.7769 -17.6897 -17.6897 -17.5668 -17.5668 -17.5217 -17.5217 -15.7427 -15.7427 -15.7308 -15.7308 -15.6590 -15.6590 -7.8229 -7.8229 -7.5052 -7.5052 -7.3855 -7.3855 -5.5100 -5.5100 -4.7251 -4.7251 -4.6420 -4.6420 -3.3245 -3.3245 -3.1919 -3.1919 -2.6806 -2.6806 -2.4517 -2.4517 -2.3187 -2.3187 -1.9290 -1.9290 -1.6717 -1.6717 -1.5400 -1.5400 -1.3030 -1.3030 -1.1446 -1.1446 -0.9006 -0.9006 -0.0166 -0.0166 0.1032 0.1032 0.4791 0.4791 1.1863 1.1863 1.2112 1.2112 1.3900 1.3900 1.4042 1.4042 1.5408 1.5408 1.6418 1.6418 3.5688 3.5688 4.7965 4.7965 4.8469 4.8469 4.9043 4.9043 4.9994 4.9994 5.1610 5.1610 5.2503 5.2503 5.4564 5.4564 5.8600 5.8600 6.1744 6.1744 k = 0.2683 0.2683-0.0000 ( 5946 PWs) bands (ev): -20.7772 -20.7772 -17.6958 -17.6958 -17.5649 -17.5649 -17.5220 -17.5220 -15.7374 -15.7374 -15.7258 -15.7258 -15.6590 -15.6590 -7.8217 -7.8217 -7.5309 -7.5309 -7.4034 -7.4034 -5.5123 -5.5123 -4.7245 -4.7245 -4.6461 -4.6461 -3.2824 -3.2824 -3.1649 -3.1649 -2.6802 -2.6802 -2.4229 -2.4229 -2.3039 -2.3039 -1.9311 -1.9311 -1.6769 -1.6769 -1.5440 -1.5440 -1.2968 -1.2968 -1.1311 -1.1311 -0.9049 -0.9049 -0.0296 -0.0296 0.0966 0.0966 0.4487 0.4487 1.1909 1.1909 1.2209 1.2209 1.3887 1.3887 1.4177 1.4177 1.5492 1.5492 1.6480 1.6480 3.5098 3.5098 4.7861 4.7861 4.8333 4.8333 4.8896 4.8896 5.0071 5.0071 5.1493 5.1493 5.2529 5.2529 5.4449 5.4449 5.8259 5.8259 6.1243 6.1243 k = 0.2561 0.2561-0.0000 ( 5942 PWs) bands (ev): -20.7776 -20.7776 -17.7019 -17.7019 -17.5630 -17.5630 -17.5223 -17.5223 -15.7320 -15.7320 -15.7208 -15.7208 -15.6590 -15.6590 -7.8208 -7.8208 -7.5562 -7.5562 -7.4207 -7.4207 -5.5150 -5.5150 -4.7247 -4.7247 -4.6506 -4.6506 -3.2401 -3.2401 -3.1365 -3.1365 -2.6798 -2.6798 -2.3938 -2.3938 -2.2883 -2.2883 -1.9329 -1.9329 -1.6823 -1.6823 -1.5489 -1.5489 -1.2888 -1.2888 -1.1173 -1.1173 -0.9087 -0.9087 -0.0428 -0.0428 0.0897 0.0897 0.4180 0.4180 1.1951 1.1951 1.2300 1.2300 1.3788 1.3788 1.4393 1.4393 1.5578 1.5578 1.6544 1.6544 3.4489 3.4489 4.7745 4.7745 4.8202 4.8202 4.8749 4.8749 5.0153 5.0153 5.1403 5.1403 5.2553 5.2553 5.4338 5.4338 5.7903 5.7903 6.0739 6.0739 k = 0.2439 0.2439-0.0000 ( 5938 PWs) bands (ev): -20.7780 -20.7780 -17.7078 -17.7078 -17.5610 -17.5610 -17.5228 -17.5228 -15.7266 -15.7266 -15.7159 -15.7159 -15.6590 -15.6590 -7.8203 -7.8203 -7.5811 -7.5811 -7.4372 -7.4372 -5.5180 -5.5180 -4.7255 -4.7255 -4.6555 -4.6555 -3.1980 -3.1980 -3.1069 -3.1069 -2.6793 -2.6793 -2.3648 -2.3648 -2.2720 -2.2720 -1.9344 -1.9344 -1.6881 -1.6881 -1.5549 -1.5549 -1.2788 -1.2788 -1.1032 -1.1032 -0.9120 -0.9120 -0.0562 -0.0562 0.0826 0.0826 0.3871 0.3871 1.1989 1.1989 1.2381 1.2381 1.3684 1.3684 1.4609 1.4609 1.5665 1.5665 1.6611 1.6611 3.3866 3.3866 4.7622 4.7622 4.8076 4.8076 4.8603 4.8603 5.0238 5.0238 5.1338 5.1338 5.2575 5.2575 5.4230 5.4230 5.7535 5.7535 6.0234 6.0234 k = 0.2317 0.2317-0.0000 ( 5936 PWs) bands (ev): -20.7784 -20.7784 -17.7136 -17.7136 -17.5590 -17.5590 -17.5233 -17.5233 -15.7212 -15.7212 -15.7110 -15.7110 -15.6590 -15.6590 -7.8201 -7.8201 -7.6053 -7.6053 -7.4529 -7.4529 -5.5215 -5.5215 -4.7269 -4.7269 -4.6610 -4.6610 -3.1561 -3.1561 -3.0763 -3.0763 -2.6789 -2.6789 -2.3361 -2.3361 -2.2549 -2.2549 -1.9355 -1.9355 -1.6940 -1.6940 -1.5620 -1.5620 -1.2666 -1.2666 -1.0890 -1.0890 -0.9145 -0.9145 -0.0698 -0.0698 0.0752 0.0752 0.3561 0.3561 1.2026 1.2026 1.2451 1.2451 1.3579 1.3579 1.4818 1.4818 1.5752 1.5752 1.6680 1.6680 3.3233 3.3233 4.7494 4.7494 4.7953 4.7953 4.8458 4.8458 5.0327 5.0327 5.1299 5.1299 5.2596 5.2596 5.4124 5.4124 5.7157 5.7157 5.9731 5.9731 k = 0.2195 0.2195-0.0000 ( 5936 PWs) bands (ev): -20.7788 -20.7788 -17.7192 -17.7192 -17.5570 -17.5570 -17.5240 -17.5240 -15.7159 -15.7159 -15.7063 -15.7063 -15.6591 -15.6591 -7.8203 -7.8203 -7.6289 -7.6289 -7.4677 -7.4677 -5.5251 -5.5251 -4.7287 -4.7287 -4.6669 -4.6669 -3.1149 -3.1149 -3.0451 -3.0451 -2.6784 -2.6784 -2.3079 -2.3079 -2.2369 -2.2369 -1.9364 -1.9364 -1.7001 -1.7001 -1.5703 -1.5703 -1.2524 -1.2524 -1.0747 -1.0747 -0.9163 -0.9163 -0.0834 -0.0834 0.0675 0.0675 0.3251 0.3251 1.2060 1.2060 1.2508 1.2508 1.3476 1.3476 1.5019 1.5019 1.5838 1.5838 1.6751 1.6751 3.2593 3.2593 4.7368 4.7368 4.7833 4.7833 4.8315 4.8315 5.0417 5.0417 5.1283 5.1283 5.2616 5.2616 5.4019 5.4019 5.6772 5.6772 5.9232 5.9232 k = 0.2073 0.2073-0.0000 ( 5936 PWs) bands (ev): -20.7791 -20.7791 -17.7246 -17.7246 -17.5550 -17.5550 -17.5247 -17.5247 -15.7106 -15.7106 -15.7017 -15.7017 -15.6591 -15.6591 -7.8210 -7.8210 -7.6517 -7.6517 -7.4814 -7.4814 -5.5291 -5.5291 -4.7308 -4.7308 -4.6732 -4.6732 -3.0743 -3.0743 -3.0134 -3.0134 -2.6779 -2.6779 -2.2807 -2.2807 -2.2179 -2.2179 -1.9370 -1.9370 -1.7065 -1.7065 -1.5798 -1.5798 -1.2360 -1.2360 -1.0604 -1.0604 -0.9174 -0.9174 -0.0971 -0.0971 0.0597 0.0597 0.2942 0.2942 1.2092 1.2092 1.2553 1.2553 1.3374 1.3374 1.5211 1.5211 1.5924 1.5924 1.6824 1.6824 3.1950 3.1950 4.7246 4.7246 4.7717 4.7717 4.8175 4.8175 5.0509 5.0509 5.1287 5.1287 5.2634 5.2634 5.3914 5.3914 5.6384 5.6384 5.8741 5.8741 k = 0.1951 0.1951-0.0000 ( 5932 PWs) bands (ev): -20.7795 -20.7795 -17.7298 -17.7298 -17.5530 -17.5530 -17.5255 -17.5255 -15.7055 -15.7055 -15.6973 -15.6973 -15.6591 -15.6591 -7.8221 -7.8221 -7.6736 -7.6736 -7.4939 -7.4939 -5.5332 -5.5332 -4.7331 -4.7331 -4.6799 -4.6799 -3.0347 -3.0347 -2.9817 -2.9817 -2.6775 -2.6775 -2.2546 -2.2546 -2.1979 -2.1979 -1.9373 -1.9373 -1.7130 -1.7130 -1.5904 -1.5904 -1.2177 -1.2177 -1.0461 -1.0461 -0.9177 -0.9177 -0.1106 -0.1106 0.0516 0.0516 0.2637 0.2637 1.2123 1.2123 1.2587 1.2587 1.3276 1.3276 1.5391 1.5391 1.6008 1.6008 1.6900 1.6900 3.1310 3.1310 4.7130 4.7130 4.7604 4.7604 4.8039 4.8039 5.0603 5.0603 5.1309 5.1309 5.2651 5.2651 5.3808 5.3808 5.5996 5.5996 5.8259 5.8259 k = 0.1829 0.1829-0.0000 ( 5940 PWs) bands (ev): -20.7799 -20.7799 -17.7347 -17.7347 -17.5510 -17.5510 -17.5263 -17.5263 -15.7005 -15.7005 -15.6930 -15.6930 -15.6591 -15.6591 -7.8237 -7.8237 -7.6945 -7.6945 -7.5053 -7.5053 -5.5374 -5.5374 -4.7356 -4.7356 -4.6868 -4.6868 -2.9963 -2.9963 -2.9502 -2.9502 -2.6770 -2.6770 -2.2298 -2.2298 -2.1769 -2.1769 -1.9373 -1.9373 -1.7197 -1.7197 -1.6021 -1.6021 -1.1976 -1.1976 -1.0320 -1.0320 -0.9172 -0.9172 -0.1241 -0.1241 0.0435 0.0435 0.2335 0.2335 1.2152 1.2152 1.2609 1.2609 1.3180 1.3180 1.5560 1.5560 1.6090 1.6090 1.6977 1.6977 3.0675 3.0675 4.7024 4.7024 4.7496 4.7496 4.7907 4.7907 5.0698 5.0698 5.1345 5.1345 5.2666 5.2666 5.3702 5.3702 5.5612 5.5612 5.7789 5.7789 k = 0.1707 0.1707-0.0000 ( 5936 PWs) bands (ev): -20.7802 -20.7802 -17.7395 -17.7395 -17.5492 -17.5492 -17.5271 -17.5271 -15.6957 -15.6957 -15.6889 -15.6889 -15.6591 -15.6591 -7.8256 -7.8256 -7.7144 -7.7144 -7.5156 -7.5156 -5.5418 -5.5418 -4.7381 -4.7381 -4.6940 -4.6940 -2.9591 -2.9591 -2.9192 -2.9192 -2.6765 -2.6765 -2.2064 -2.2064 -2.1550 -2.1550 -1.9371 -1.9371 -1.7265 -1.7265 -1.6149 -1.6149 -1.1758 -1.1758 -1.0180 -1.0180 -0.9160 -0.9160 -0.1374 -0.1374 0.0351 0.0351 0.2039 0.2039 1.2178 1.2178 1.2620 1.2620 1.3090 1.3090 1.5717 1.5717 1.6169 1.6169 1.7056 1.7056 3.0052 3.0052 4.6927 4.6927 4.7395 4.7395 4.7780 4.7780 5.0793 5.0793 5.1392 5.1392 5.2681 5.2681 5.3596 5.3596 5.5235 5.5235 5.7333 5.7333 k = 0.1585 0.1585-0.0000 ( 5936 PWs) bands (ev): -20.7806 -20.7806 -17.7439 -17.7439 -17.5473 -17.5473 -17.5280 -17.5280 -15.6911 -15.6911 -15.6851 -15.6851 -15.6591 -15.6591 -7.8280 -7.8280 -7.7333 -7.7333 -7.5246 -7.5246 -5.5461 -5.5461 -4.7406 -4.7406 -4.7012 -4.7012 -2.9234 -2.9234 -2.8891 -2.8891 -2.6760 -2.6760 -2.1841 -2.1841 -2.1327 -2.1327 -1.9367 -1.9367 -1.7336 -1.7336 -1.6286 -1.6286 -1.1527 -1.1527 -1.0041 -1.0041 -0.9141 -0.9141 -0.1504 -0.1504 0.0268 0.0268 0.1751 0.1751 1.2202 1.2202 1.2620 1.2620 1.3004 1.3004 1.5861 1.5861 1.6243 1.6243 1.7135 1.7135 2.9444 2.9444 4.6842 4.6842 4.7300 4.7300 4.7658 4.7658 5.0888 5.0888 5.1447 5.1447 5.2694 5.2694 5.3488 5.3488 5.4868 5.4868 5.6893 5.6893 k = 0.1463 0.1463-0.0000 ( 5928 PWs) bands (ev): -20.7809 -20.7809 -17.7481 -17.7481 -17.5456 -17.5456 -17.5288 -17.5288 -15.6867 -15.6867 -15.6814 -15.6814 -15.6592 -15.6592 -7.8306 -7.8306 -7.7509 -7.7509 -7.5326 -7.5326 -5.5504 -5.5504 -4.7431 -4.7431 -4.7084 -4.7084 -2.8894 -2.8894 -2.8600 -2.8600 -2.6756 -2.6756 -2.1628 -2.1628 -2.1102 -2.1102 -1.9361 -1.9361 -1.7409 -1.7409 -1.6433 -1.6433 -1.1286 -1.1286 -0.9905 -0.9905 -0.9115 -0.9115 -0.1630 -0.1630 0.0184 0.0184 0.1470 0.1470 1.2224 1.2224 1.2612 1.2612 1.2924 1.2924 1.5993 1.5993 1.6313 1.6313 1.7215 1.7215 2.8856 2.8856 4.6767 4.6767 4.7213 4.7213 4.7543 4.7543 5.0982 5.0982 5.1509 5.1509 5.2706 5.2706 5.3378 5.3378 5.4518 5.4518 5.6472 5.6472 k = 0.1341 0.1341-0.0000 ( 5938 PWs) bands (ev): -20.7812 -20.7812 -17.7520 -17.7520 -17.5440 -17.5440 -17.5296 -17.5296 -15.6825 -15.6825 -15.6780 -15.6780 -15.6592 -15.6592 -7.8335 -7.8335 -7.7674 -7.7674 -7.5395 -7.5395 -5.5546 -5.5546 -4.7455 -4.7455 -4.7154 -4.7154 -2.8573 -2.8573 -2.8324 -2.8324 -2.6751 -2.6751 -2.1422 -2.1422 -2.0879 -2.0879 -1.9353 -1.9353 -1.7483 -1.7483 -1.6588 -1.6588 -1.1038 -1.1038 -0.9773 -0.9773 -0.9085 -0.9085 -0.1752 -0.1752 0.0100 0.0100 0.1200 0.1200 1.2244 1.2244 1.2595 1.2595 1.2851 1.2851 1.6112 1.6112 1.6378 1.6378 1.7294 1.7294 2.8292 2.8292 4.6703 4.6703 4.7136 4.7136 4.7435 4.7435 5.1073 5.1073 5.1575 5.1575 5.2716 5.2716 5.3266 5.3266 5.4188 5.4188 5.6069 5.6069 k = 0.1220 0.1220-0.0000 ( 5944 PWs) bands (ev): -20.7815 -20.7815 -17.7556 -17.7556 -17.5424 -17.5424 -17.5304 -17.5304 -15.6787 -15.6787 -15.6748 -15.6748 -15.6592 -15.6592 -7.8365 -7.8365 -7.7825 -7.7825 -7.5454 -7.5454 -5.5587 -5.5587 -4.7478 -4.7478 -4.7223 -4.7223 -2.8273 -2.8273 -2.8063 -2.8063 -2.6747 -2.6747 -2.1221 -2.1221 -2.0661 -2.0661 -1.9343 -1.9343 -1.7560 -1.7560 -1.6749 -1.6749 -1.0787 -1.0787 -0.9643 -0.9643 -0.9050 -0.9050 -0.1869 -0.1869 0.0018 0.0018 0.0942 0.0942 1.2261 1.2261 1.2569 1.2569 1.2787 1.2787 1.6219 1.6219 1.6437 1.6437 1.7370 1.7370 2.7758 2.7758 4.6648 4.6648 4.7067 4.7067 4.7335 4.7335 5.1162 5.1162 5.1642 5.1642 5.2725 5.2725 5.3149 5.3149 5.3886 5.3886 5.5688 5.5688 k = 0.1098 0.1098-0.0000 ( 5936 PWs) bands (ev): -20.7818 -20.7818 -17.7588 -17.7588 -17.5410 -17.5410 -17.5311 -17.5311 -15.6751 -15.6751 -15.6719 -15.6719 -15.6592 -15.6592 -7.8397 -7.8397 -7.7964 -7.7964 -7.5504 -7.5504 -5.5626 -5.5626 -4.7500 -4.7500 -4.7287 -4.7287 -2.7995 -2.7995 -2.7820 -2.7820 -2.6743 -2.6743 -2.1026 -2.1026 -2.0450 -2.0450 -1.9331 -1.9331 -1.7638 -1.7638 -1.6917 -1.6917 -1.0539 -1.0539 -0.9518 -0.9518 -0.9013 -0.9013 -0.1979 -0.1979 -0.0062 -0.0062 0.0698 0.0698 1.2275 1.2275 1.2538 1.2538 1.2731 1.2731 1.6315 1.6315 1.6490 1.6490 1.7443 1.7443 2.7259 2.7259 4.6602 4.6602 4.7010 4.7010 4.7244 4.7244 5.1245 5.1245 5.1708 5.1708 5.2732 5.2732 5.3026 5.3026 5.3620 5.3620 5.5330 5.5330 k = 0.0976 0.0976-0.0000 ( 5932 PWs) bands (ev): -20.7821 -20.7821 -17.7618 -17.7618 -17.5397 -17.5397 -17.5318 -17.5318 -15.6719 -15.6719 -15.6693 -15.6693 -15.6592 -15.6592 -7.8427 -7.8427 -7.8089 -7.8089 -7.5545 -7.5545 -5.5662 -5.5662 -4.7519 -4.7519 -4.7348 -4.7348 -2.7741 -2.7741 -2.7598 -2.7598 -2.6739 -2.6739 -2.0836 -2.0836 -2.0249 -2.0249 -1.9318 -1.9318 -1.7718 -1.7718 -1.7089 -1.7089 -1.0299 -1.0299 -0.9397 -0.9397 -0.8974 -0.8974 -0.2083 -0.2083 -0.0139 -0.0139 0.0471 0.0471 1.2287 1.2287 1.2501 1.2501 1.2685 1.2685 1.6400 1.6400 1.6538 1.6538 1.7511 1.7511 2.6798 2.6798 4.6562 4.6562 4.6963 4.6963 4.7162 4.7162 5.1323 5.1323 5.1770 5.1770 5.2735 5.2735 5.2897 5.2897 5.3399 5.3399 5.4995 5.4995 k = 0.0854 0.0854-0.0000 ( 5930 PWs) bands (ev): -20.7823 -20.7823 -17.7644 -17.7644 -17.5385 -17.5385 -17.5324 -17.5324 -15.6690 -15.6690 -15.6670 -15.6670 -15.6592 -15.6592 -7.8457 -7.8457 -7.8201 -7.8201 -7.5579 -7.5579 -5.5695 -5.5695 -4.7537 -4.7537 -4.7403 -4.7403 -2.7513 -2.7513 -2.7397 -2.7397 -2.6735 -2.6735 -2.0653 -2.0653 -2.0057 -2.0057 -1.9303 -1.9303 -1.7799 -1.7799 -1.7264 -1.7264 -1.0072 -1.0072 -0.9281 -0.9281 -0.8935 -0.8935 -0.2179 -0.2179 -0.0212 -0.0212 0.0262 0.0262 1.2295 1.2295 1.2463 1.2463 1.2646 1.2646 1.6474 1.6474 1.6579 1.6579 1.7573 1.7573 2.6379 2.6379 4.6528 4.6528 4.6926 4.6926 4.7090 4.7090 5.1394 5.1394 5.1820 5.1820 5.2714 5.2714 5.2789 5.2789 5.3227 5.3227 5.4685 5.4685 k = 0.0732 0.0732-0.0000 ( 5930 PWs) bands (ev): -20.7825 -20.7825 -17.7667 -17.7667 -17.5375 -17.5375 -17.5329 -17.5329 -15.6665 -15.6665 -15.6650 -15.6650 -15.6592 -15.6592 -7.8484 -7.8484 -7.8298 -7.8298 -7.5607 -7.5607 -5.5724 -5.5724 -4.7553 -4.7553 -4.7453 -4.7453 -2.7313 -2.7313 -2.7220 -2.7220 -2.6732 -2.6732 -2.0478 -2.0478 -1.9875 -1.9875 -1.9285 -1.9285 -1.7880 -1.7880 -1.7441 -1.7441 -0.9866 -0.9866 -0.9171 -0.9171 -0.8897 -0.8897 -0.2265 -0.2265 -0.0279 -0.0279 0.0073 0.0073 1.2301 1.2301 1.2425 1.2425 1.2615 1.2615 1.6537 1.6537 1.6615 1.6615 1.7629 1.7629 2.6008 2.6008 4.6499 4.6499 4.6900 4.6900 4.7028 4.7028 5.1456 5.1456 5.1848 5.1848 5.2626 5.2626 5.2765 5.2765 5.3098 5.3098 5.4400 5.4400 k = 0.0610 0.0610-0.0000 ( 5936 PWs) bands (ev): -20.7827 -20.7827 -17.7686 -17.7686 -17.5366 -17.5366 -17.5334 -17.5334 -15.6643 -15.6643 -15.6632 -15.6632 -15.6592 -15.6592 -7.8509 -7.8509 -7.8380 -7.8380 -7.5629 -7.5629 -5.5750 -5.5750 -4.7566 -4.7566 -4.7496 -4.7496 -2.7143 -2.7143 -2.7066 -2.7066 -2.6728 -2.6728 -2.0317 -2.0317 -1.9705 -1.9705 -1.9265 -1.9265 -1.7960 -1.7960 -1.7615 -1.7615 -0.9686 -0.9686 -0.9067 -0.9067 -0.8862 -0.8862 -0.2341 -0.2341 -0.0339 -0.0339 -0.0092 -0.0092 1.2305 1.2305 1.2390 1.2390 1.2591 1.2591 1.6590 1.6590 1.6644 1.6644 1.7677 1.7677 2.5687 2.5687 4.6473 4.6473 4.6882 4.6882 4.6977 4.6977 5.1510 5.1510 5.1841 5.1841 5.2559 5.2559 5.2764 5.2764 5.3003 5.3003 5.4141 5.4141 k = 0.0488 0.0488-0.0000 ( 5953 PWs) bands (ev): -20.7828 -20.7828 -17.7702 -17.7702 -17.5359 -17.5359 -17.5338 -17.5338 -15.6625 -15.6625 -15.6618 -15.6618 -15.6592 -15.6592 -7.8530 -7.8530 -7.8448 -7.8448 -7.5646 -7.5646 -5.5772 -5.5772 -4.7578 -4.7578 -4.7532 -4.7532 -2.7005 -2.7005 -2.6937 -2.6937 -2.6724 -2.6724 -2.0172 -2.0172 -1.9548 -1.9548 -1.9241 -1.9241 -1.8037 -1.8037 -1.7785 -1.7785 -0.9538 -0.9538 -0.8972 -0.8972 -0.8831 -0.8831 -0.2406 -0.2406 -0.0391 -0.0391 -0.0231 -0.0231 1.2306 1.2306 1.2360 1.2360 1.2572 1.2572 1.6634 1.6634 1.6668 1.6668 1.7716 1.7716 2.5420 2.5420 4.6451 4.6451 4.6871 4.6871 4.6935 4.6935 5.1553 5.1553 5.1799 5.1799 5.2543 5.2543 5.2765 5.2765 5.2934 5.2934 5.3908 5.3908 k = 0.0366 0.0366-0.0000 ( 5975 PWs) bands (ev): -20.7829 -20.7829 -17.7715 -17.7715 -17.5353 -17.5353 -17.5341 -17.5341 -15.6611 -15.6611 -15.6607 -15.6607 -15.6592 -15.6592 -7.8547 -7.8547 -7.8501 -7.8501 -7.5659 -7.5659 -5.5789 -5.5789 -4.7586 -4.7586 -4.7561 -4.7561 -2.6900 -2.6900 -2.6834 -2.6834 -2.6719 -2.6719 -2.0052 -2.0052 -1.9405 -1.9405 -1.9216 -1.9216 -1.8106 -1.8106 -1.7943 -1.7943 -0.9423 -0.9423 -0.8890 -0.8890 -0.8805 -0.8805 -0.2458 -0.2458 -0.0433 -0.0433 -0.0342 -0.0342 1.2305 1.2305 1.2336 1.2336 1.2558 1.2558 1.6667 1.6667 1.6687 1.6687 1.7748 1.7748 2.5209 2.5209 4.6433 4.6433 4.6865 4.6865 4.6903 4.6903 5.1586 5.1586 5.1738 5.1738 5.2563 5.2563 5.2772 5.2772 5.2889 5.2889 5.3704 5.3704 k = 0.0244 0.0244-0.0000 ( 5983 PWs) bands (ev): -20.7830 -20.7830 -17.7724 -17.7724 -17.5349 -17.5349 -17.5344 -17.5344 -15.6602 -15.6602 -15.6598 -15.6598 -15.6592 -15.6592 -7.8560 -7.8560 -7.8539 -7.8539 -7.5668 -7.5668 -5.5801 -5.5801 -4.7593 -4.7593 -4.7581 -4.7581 -2.6829 -2.6829 -2.6759 -2.6759 -2.6712 -2.6712 -1.9961 -1.9961 -1.9283 -1.9283 -1.9190 -1.9190 -1.8163 -1.8163 -1.8079 -1.8079 -0.9343 -0.9343 -0.8825 -0.8825 -0.8785 -0.8785 -0.2496 -0.2496 -0.0463 -0.0463 -0.0423 -0.0423 1.2304 1.2304 1.2318 1.2318 1.2548 1.2548 1.6691 1.6691 1.6700 1.6700 1.7770 1.7770 2.5057 2.5057 4.6420 4.6420 4.6863 4.6863 4.6880 4.6880 5.1610 5.1610 5.1681 5.1681 5.2593 5.2593 5.2792 5.2792 5.2863 5.2863 5.3535 5.3535 k = 0.0122 0.0122-0.0000 ( 6011 PWs) bands (ev): -20.7831 -20.7831 -17.7729 -17.7729 -17.5346 -17.5346 -17.5345 -17.5345 -15.6597 -15.6597 -15.6593 -15.6593 -15.6592 -15.6592 -7.8567 -7.8567 -7.8562 -7.8562 -7.5673 -7.5673 -5.5809 -5.5809 -4.7597 -4.7597 -4.7594 -4.7594 -2.6792 -2.6792 -2.6713 -2.6713 -2.6703 -2.6703 -1.9905 -1.9905 -1.9196 -1.9196 -1.9171 -1.9171 -1.8201 -1.8201 -1.8178 -1.8178 -0.9296 -0.9296 -0.8783 -0.8783 -0.8773 -0.8773 -0.2519 -0.2519 -0.0482 -0.0482 -0.0472 -0.0472 1.2303 1.2303 1.2307 1.2307 1.2543 1.2543 1.6705 1.6705 1.6707 1.6707 1.7783 1.7783 2.4965 2.4965 4.6411 4.6411 4.6862 4.6862 4.6867 4.6867 5.1623 5.1623 5.1642 5.1642 5.2609 5.2609 5.2827 5.2827 5.2850 5.2850 5.3412 5.3412 k = 0.0000 0.0000 0.0000 ( 6031 PWs) bands (ev): -20.7831 -20.7831 -17.7731 -17.7731 -17.5345 -17.5345 -17.5345 -17.5345 -15.6595 -15.6595 -15.6591 -15.6591 -15.6591 -15.6591 -7.8570 -7.8570 -7.8570 -7.8570 -7.5674 -7.5674 -5.5811 -5.5811 -4.7598 -4.7598 -4.7598 -4.7598 -2.6781 -2.6781 -2.6698 -2.6698 -2.6698 -2.6698 -1.9887 -1.9887 -1.9163 -1.9163 -1.9163 -1.9163 -1.8215 -1.8215 -1.8215 -1.8215 -0.9281 -0.9281 -0.8769 -0.8769 -0.8769 -0.8769 -0.2527 -0.2527 -0.0489 -0.0489 -0.0489 -0.0489 1.2303 1.2303 1.2303 1.2303 1.2541 1.2541 1.6710 1.6710 1.6710 1.6710 1.7788 1.7788 2.4935 2.4935 4.6408 4.6408 4.6862 4.6862 4.6862 4.6862 5.1628 5.1628 5.1628 5.1628 5.2613 5.2613 5.2846 5.2846 5.2846 5.2846 5.3364 5.3364 k = 0.0000 0.0000 0.0000 ( 6031 PWs) bands (ev): -20.7831 -20.7831 -17.7731 -17.7731 -17.5345 -17.5345 -17.5345 -17.5345 -15.6595 -15.6595 -15.6591 -15.6591 -15.6591 -15.6591 -7.8570 -7.8570 -7.8570 -7.8570 -7.5674 -7.5674 -5.5811 -5.5811 -4.7598 -4.7598 -4.7598 -4.7598 -2.6781 -2.6781 -2.6698 -2.6698 -2.6698 -2.6698 -1.9887 -1.9887 -1.9163 -1.9163 -1.9163 -1.9163 -1.8215 -1.8215 -1.8215 -1.8215 -0.9281 -0.9281 -0.8769 -0.8769 -0.8769 -0.8769 -0.2527 -0.2527 -0.0489 -0.0489 -0.0489 -0.0489 1.2303 1.2303 1.2303 1.2303 1.2541 1.2541 1.6710 1.6710 1.6710 1.6710 1.7788 1.7788 2.4935 2.4935 4.6408 4.6408 4.6862 4.6862 4.6862 4.6862 5.1628 5.1628 5.1628 5.1628 5.2613 5.2613 5.2846 5.2846 5.2846 5.2846 5.3364 5.3364 k = 0.0100 0.0100 0.0100 ( 6007 PWs) bands (ev): -20.7831 -20.7831 -17.7729 -17.7729 -17.5346 -17.5346 -17.5346 -17.5346 -15.6596 -15.6596 -15.6593 -15.6593 -15.6592 -15.6592 -7.8565 -7.8565 -7.8564 -7.8564 -7.5673 -7.5673 -5.5809 -5.5809 -4.7596 -4.7596 -4.7594 -4.7594 -2.6791 -2.6791 -2.6709 -2.6709 -2.6708 -2.6708 -1.9905 -1.9905 -1.9192 -1.9192 -1.9175 -1.9175 -1.8191 -1.8191 -1.8188 -1.8188 -0.9296 -0.9296 -0.8784 -0.8784 -0.8773 -0.8773 -0.2519 -0.2519 -0.0478 -0.0478 -0.0476 -0.0476 1.2303 1.2303 1.2307 1.2307 1.2543 1.2543 1.6705 1.6705 1.6707 1.6707 1.7783 1.7783 2.4966 2.4966 4.6411 4.6411 4.6863 4.6863 4.6866 4.6866 5.1632 5.1632 5.1633 5.1633 5.2609 5.2609 5.2826 5.2826 5.2851 5.2851 5.3412 5.3412 k = 0.0200 0.0200 0.0200 ( 5983 PWs) bands (ev): -20.7830 -20.7830 -17.7724 -17.7724 -17.5346 -17.5346 -17.5346 -17.5346 -15.6600 -15.6600 -15.6597 -15.6597 -15.6595 -15.6595 -7.8549 -7.8549 -7.8549 -7.8549 -7.5668 -7.5668 -5.5801 -5.5801 -4.7590 -4.7590 -4.7584 -4.7584 -2.6822 -2.6822 -2.6743 -2.6743 -2.6737 -2.6737 -1.9960 -1.9960 -1.9271 -1.9271 -1.9209 -1.9209 -1.8123 -1.8123 -1.8114 -1.8114 -0.9343 -0.9343 -0.8828 -0.8828 -0.8783 -0.8783 -0.2496 -0.2496 -0.0448 -0.0448 -0.0438 -0.0438 1.2304 1.2304 1.2318 1.2318 1.2548 1.2548 1.6691 1.6691 1.6699 1.6699 1.7770 1.7770 2.5058 2.5058 4.6420 4.6420 4.6867 4.6867 4.6876 4.6876 5.1643 5.1643 5.1649 5.1649 5.2587 5.2587 5.2793 5.2793 5.2866 5.2866 5.3536 5.3536 k = 0.0300 0.0300 0.0300 ( 5971 PWs) bands (ev): -20.7829 -20.7829 -17.7715 -17.7715 -17.5347 -17.5347 -17.5347 -17.5347 -15.6607 -15.6607 -15.6604 -15.6604 -15.6600 -15.6600 -7.8524 -7.8524 -7.8523 -7.8523 -7.5659 -7.5659 -5.5789 -5.5789 -4.7581 -4.7581 -4.7566 -4.7566 -2.6874 -2.6874 -2.6797 -2.6797 -2.6785 -2.6785 -2.0045 -2.0045 -1.9384 -1.9384 -1.9261 -1.9261 -1.8021 -1.8021 -1.8011 -1.8011 -0.9422 -0.9422 -0.8899 -0.8899 -0.8801 -0.8801 -0.2457 -0.2457 -0.0397 -0.0397 -0.0375 -0.0375 1.2304 1.2304 1.2337 1.2337 1.2558 1.2558 1.6668 1.6668 1.6685 1.6685 1.7747 1.7747 2.5212 2.5212 4.6434 4.6434 4.6874 4.6874 4.6894 4.6894 5.1660 5.1660 5.1673 5.1673 5.2534 5.2534 5.2789 5.2789 5.2892 5.2892 5.3708 5.3708 k = 0.0400 0.0400 0.0400 ( 5953 PWs) bands (ev): -20.7828 -20.7828 -17.7702 -17.7702 -17.5349 -17.5349 -17.5348 -17.5348 -15.6616 -15.6616 -15.6613 -15.6613 -15.6607 -15.6607 -7.8489 -7.8489 -7.8486 -7.8486 -7.5647 -7.5647 -5.5771 -5.5771 -4.7567 -4.7567 -4.7542 -4.7542 -2.6948 -2.6948 -2.6872 -2.6872 -2.6852 -2.6852 -2.0153 -2.0153 -1.9517 -1.9517 -1.9326 -1.9326 -1.7896 -1.7896 -1.7892 -1.7892 -0.9532 -0.9532 -0.8990 -0.8990 -0.8825 -0.8825 -0.2405 -0.2405 -0.0326 -0.0326 -0.0288 -0.0288 1.2302 1.2302 1.2364 1.2364 1.2572 1.2572 1.6634 1.6634 1.6666 1.6666 1.7715 1.7715 2.5424 2.5424 4.6455 4.6455 4.6885 4.6885 4.6919 4.6919 5.1680 5.1680 5.1704 5.1704 5.2459 5.2459 5.2820 5.2820 5.2932 5.2932 5.3913 5.3913 k = 0.0500 0.0500 0.0500 ( 5941 PWs) bands (ev): -20.7827 -20.7827 -17.7686 -17.7686 -17.5350 -17.5350 -17.5350 -17.5350 -15.6628 -15.6628 -15.6625 -15.6625 -15.6616 -15.6616 -7.8444 -7.8444 -7.8440 -7.8440 -7.5632 -7.5632 -5.5749 -5.5749 -4.7551 -4.7551 -4.7511 -4.7511 -2.7044 -2.7044 -2.6966 -2.6966 -2.6937 -2.6937 -2.0278 -2.0278 -1.9662 -1.9662 -1.9405 -1.9405 -1.7765 -1.7765 -1.7756 -1.7756 -0.9675 -0.9675 -0.9097 -0.9097 -0.8853 -0.8853 -0.2340 -0.2340 -0.0237 -0.0237 -0.0180 -0.0180 1.2298 1.2298 1.2397 1.2397 1.2591 1.2591 1.6591 1.6591 1.6641 1.6641 1.7674 1.7674 2.5694 2.5694 4.6481 4.6481 4.6902 4.6902 4.6952 4.6952 5.1700 5.1700 5.1737 5.1737 5.2375 5.2375 5.2879 5.2879 5.2987 5.2987 5.4148 5.4148 k = 0.0600 0.0600 0.0600 ( 5938 PWs) bands (ev): -20.7825 -20.7825 -17.7666 -17.7666 -17.5352 -17.5352 -17.5352 -17.5352 -15.6643 -15.6643 -15.6640 -15.6640 -15.6626 -15.6626 -7.8388 -7.8388 -7.8383 -7.8383 -7.5612 -7.5612 -5.5723 -5.5723 -4.7531 -4.7531 -4.7474 -4.7474 -2.7164 -2.7164 -2.7076 -2.7076 -2.7040 -2.7040 -2.0416 -2.0416 -1.9814 -1.9814 -1.9497 -1.9497 -1.7634 -1.7634 -1.7606 -1.7606 -0.9848 -0.9848 -0.9215 -0.9215 -0.8886 -0.8886 -0.2263 -0.2263 -0.0130 -0.0130 -0.0050 -0.0050 1.2289 1.2289 1.2436 1.2436 1.2615 1.2615 1.6537 1.6537 1.6611 1.6611 1.7623 1.7623 2.6018 2.6018 4.6515 4.6515 4.6926 4.6926 4.6992 4.6992 5.1718 5.1718 5.1770 5.1770 5.2289 5.2289 5.2963 5.2963 5.3061 5.3061 5.4409 5.4409 k = 0.0700 0.0700 0.0700 ( 5938 PWs) bands (ev): -20.7823 -20.7823 -17.7643 -17.7643 -17.5355 -17.5355 -17.5354 -17.5354 -15.6660 -15.6660 -15.6657 -15.6657 -15.6638 -15.6638 -7.8323 -7.8323 -7.8316 -7.8316 -7.5589 -7.5589 -5.5693 -5.5693 -4.7509 -4.7509 -4.7431 -4.7431 -2.7307 -2.7307 -2.7202 -2.7202 -2.7161 -2.7161 -2.0561 -2.0561 -1.9971 -1.9971 -1.9603 -1.9603 -1.7504 -1.7504 -1.7450 -1.7450 -1.0049 -1.0049 -0.9340 -0.9340 -0.8921 -0.8921 -0.2176 -0.2176 -0.0006 -0.0006 0.0097 0.0097 1.2274 1.2274 1.2481 1.2481 1.2645 1.2645 1.6473 1.6473 1.6574 1.6574 1.7564 1.7564 2.6394 2.6394 4.6557 4.6557 4.6960 4.6960 4.7041 4.7041 5.1730 5.1730 5.1799 5.1799 5.2203 5.2203 5.3070 5.3070 5.3156 5.3156 5.4695 5.4695 k = 0.0800 0.0800 0.0800 ( 5926 PWs) bands (ev): -20.7820 -20.7820 -17.7616 -17.7616 -17.5358 -17.5358 -17.5357 -17.5357 -15.6680 -15.6680 -15.6677 -15.6677 -15.6653 -15.6653 -7.8248 -7.8248 -7.8239 -7.8239 -7.5562 -7.5562 -5.5659 -5.5659 -4.7484 -4.7484 -4.7384 -4.7384 -2.7473 -2.7473 -2.7343 -2.7343 -2.7298 -2.7298 -2.0712 -2.0712 -2.0130 -2.0130 -1.9723 -1.9723 -1.7375 -1.7375 -1.7291 -1.7291 -1.0272 -1.0272 -0.9467 -0.9467 -0.8958 -0.8958 -0.2081 -0.2081 0.0134 0.0134 0.0262 0.0262 1.2253 1.2253 1.2532 1.2532 1.2680 1.2680 1.6398 1.6398 1.6532 1.6532 1.7496 1.7496 2.6817 2.6817 4.6608 4.6608 4.7004 4.7004 4.7099 4.7099 5.1736 5.1736 5.1821 5.1821 5.2118 5.2118 5.3201 5.3201 5.3275 5.3275 5.5003 5.5003 k = 0.0900 0.0900 0.0900 ( 5926 PWs) bands (ev): -20.7818 -20.7818 -17.7586 -17.7586 -17.5361 -17.5361 -17.5359 -17.5359 -15.6702 -15.6702 -15.6699 -15.6699 -15.6669 -15.6669 -7.8163 -7.8163 -7.8152 -7.8152 -7.5531 -7.5531 -5.5623 -5.5623 -4.7457 -4.7457 -4.7331 -4.7331 -2.7660 -2.7660 -2.7499 -2.7499 -2.7451 -2.7451 -2.0866 -2.0866 -2.0290 -2.0290 -1.9858 -1.9858 -1.7249 -1.7249 -1.7132 -1.7132 -1.0512 -1.0512 -0.9596 -0.9596 -0.8994 -0.8994 -0.1977 -0.1977 0.0288 0.0288 0.0442 0.0442 1.2224 1.2224 1.2586 1.2586 1.2719 1.2719 1.6312 1.6312 1.6484 1.6484 1.7419 1.7419 2.7285 2.7285 4.6668 4.6668 4.7059 4.7059 4.7165 4.7165 5.1734 5.1734 5.1837 5.1837 5.2035 5.2035 5.3354 5.3354 5.3417 5.3417 5.5332 5.5332 k = 0.1000 0.1000 0.1000 ( 5932 PWs) bands (ev): -20.7815 -20.7815 -17.7553 -17.7553 -17.5364 -17.5364 -17.5362 -17.5362 -15.6726 -15.6726 -15.6724 -15.6724 -15.6687 -15.6687 -7.8069 -7.8069 -7.8055 -7.8055 -7.5496 -7.5496 -5.5583 -5.5583 -4.7429 -4.7429 -4.7274 -4.7274 -2.7867 -2.7867 -2.7670 -2.7670 -2.7619 -2.7619 -2.1022 -2.1022 -2.0451 -2.0451 -2.0008 -2.0008 -1.7127 -1.7127 -1.6975 -1.6975 -1.0763 -1.0763 -0.9723 -0.9723 -0.9030 -0.9030 -0.1867 -0.1867 0.0455 0.0455 0.0635 0.0635 1.2186 1.2186 1.2645 1.2645 1.2762 1.2762 1.6216 1.6216 1.6429 1.6429 1.7333 1.7333 2.7792 2.7792 4.6740 4.6740 4.7126 4.7126 4.7240 4.7240 5.1723 5.1723 5.1844 5.1844 5.1956 5.1956 5.3529 5.3529 5.3581 5.3581 5.5681 5.5681 k = 0.1100 0.1100 0.1100 ( 5938 PWs) bands (ev): -20.7812 -20.7812 -17.7516 -17.7516 -17.5368 -17.5368 -17.5366 -17.5366 -15.6753 -15.6753 -15.6751 -15.6751 -15.6707 -15.6707 -7.7965 -7.7965 -7.7948 -7.7948 -7.5456 -7.5456 -5.5542 -5.5542 -4.7400 -4.7400 -4.7215 -4.7215 -2.8093 -2.8093 -2.7855 -2.7855 -2.7800 -2.7800 -2.1179 -2.1179 -2.0611 -2.0611 -2.0174 -2.0174 -1.7009 -1.7009 -1.6821 -1.6821 -1.1020 -1.1020 -0.9846 -0.9846 -0.9062 -0.9062 -0.1751 -0.1751 0.0634 0.0634 0.0840 0.0840 1.2138 1.2138 1.2706 1.2706 1.2808 1.2808 1.6109 1.6109 1.6369 1.6369 1.7240 1.7240 2.8335 2.8335 4.6825 4.6825 4.7206 4.7206 4.7325 4.7325 5.1700 5.1700 5.1844 5.1844 5.1883 5.1883 5.3723 5.3723 5.3767 5.3767 5.6048 5.6048 k = 0.1200 0.1200 0.1200 ( 5932 PWs) bands (ev): -20.7809 -20.7809 -17.7476 -17.7476 -17.5372 -17.5372 -17.5369 -17.5369 -15.6782 -15.6782 -15.6780 -15.6780 -15.6729 -15.6729 -7.7852 -7.7852 -7.7832 -7.7832 -7.5411 -7.5411 -5.5498 -5.5498 -4.7371 -4.7371 -4.7152 -4.7152 -2.8335 -2.8335 -2.8052 -2.8052 -2.7994 -2.7994 -2.1337 -2.1337 -2.0771 -2.0771 -2.0355 -2.0355 -1.6896 -1.6896 -1.6673 -1.6673 -1.1278 -1.1278 -0.9963 -0.9963 -0.9091 -0.9091 -0.1629 -0.1629 0.0825 0.0825 0.1055 0.1055 1.2079 1.2079 1.2770 1.2770 1.2856 1.2856 1.5992 1.5992 1.6302 1.6302 1.7139 1.7139 2.8909 2.8909 4.6924 4.6924 4.7299 4.7299 4.7419 4.7419 5.1663 5.1663 5.1822 5.1822 5.1838 5.1838 5.3934 5.3934 5.3972 5.3972 5.6431 5.6431 k = 0.1300 0.1300 0.1300 ( 5938 PWs) bands (ev): -20.7805 -20.7805 -17.7433 -17.7433 -17.5376 -17.5376 -17.5373 -17.5373 -15.6813 -15.6813 -15.6811 -15.6811 -15.6753 -15.6753 -7.7729 -7.7729 -7.7706 -7.7706 -7.5362 -7.5362 -5.5454 -5.5454 -4.7342 -4.7342 -4.7089 -4.7089 -2.8591 -2.8591 -2.8262 -2.8262 -2.8200 -2.8200 -2.1496 -2.1496 -2.0930 -2.0930 -2.0551 -2.0551 -1.6788 -1.6788 -1.6531 -1.6531 -1.1531 -1.1531 -1.0072 -1.0072 -0.9114 -0.9114 -0.1503 -0.1503 0.1026 0.1026 0.1278 0.1278 1.2008 1.2008 1.2835 1.2835 1.2906 1.2906 1.5866 1.5866 1.6228 1.6228 1.7030 1.7030 2.9510 2.9510 4.7038 4.7038 4.7406 4.7406 4.7523 4.7523 5.1609 5.1609 5.1777 5.1777 5.1827 5.1827 5.4161 5.4161 5.4194 5.4194 5.6828 5.6828 k = 0.1400 0.1400 0.1400 ( 5941 PWs) bands (ev): -20.7802 -20.7802 -17.7387 -17.7387 -17.5380 -17.5380 -17.5377 -17.5377 -15.6847 -15.6847 -15.6844 -15.6844 -15.6779 -15.6779 -7.7598 -7.7598 -7.7572 -7.7572 -7.5307 -7.5307 -5.5410 -5.5410 -4.7314 -4.7314 -4.7024 -4.7024 -2.8862 -2.8862 -2.8483 -2.8483 -2.8415 -2.8415 -2.1656 -2.1656 -2.1087 -2.1087 -2.0762 -2.0762 -1.6685 -1.6685 -1.6396 -1.6396 -1.1775 -1.1775 -1.0171 -1.0171 -0.9132 -0.9132 -0.1373 -0.1373 0.1235 0.1235 0.1508 0.1508 1.1923 1.1923 1.2900 1.2900 1.2956 1.2956 1.5731 1.5731 1.6148 1.6148 1.6914 1.6914 3.0134 3.0134 4.7167 4.7167 4.7528 4.7528 4.7636 4.7636 5.1542 5.1542 5.1743 5.1743 5.1812 5.1812 5.4402 5.4402 5.4432 5.4432 5.7239 5.7239 k = 0.1500 0.1500 0.1500 ( 5941 PWs) bands (ev): -20.7798 -20.7798 -17.7338 -17.7338 -17.5384 -17.5384 -17.5381 -17.5381 -15.6882 -15.6882 -15.6880 -15.6880 -15.6807 -15.6807 -7.7458 -7.7458 -7.7428 -7.7428 -7.5247 -7.5247 -5.5366 -5.5366 -4.7288 -4.7288 -4.6961 -4.6961 -2.9144 -2.9144 -2.8714 -2.8714 -2.8640 -2.8640 -2.1819 -2.1819 -2.1243 -2.1243 -2.0986 -2.0986 -1.6587 -1.6587 -1.6271 -1.6271 -1.2007 -1.2007 -1.0257 -1.0257 -0.9144 -0.9144 -0.1240 -0.1240 0.1453 0.1453 0.1744 0.1744 1.1824 1.1824 1.2964 1.2964 1.3005 1.3005 1.5589 1.5589 1.6061 1.6061 1.6791 1.6791 3.0776 3.0776 4.7311 4.7311 4.7665 4.7665 4.7758 4.7758 5.1471 5.1471 5.1716 5.1716 5.1796 5.1796 5.4653 5.4653 5.4682 5.4682 5.7660 5.7660 k = 0.1600 0.1600 0.1600 ( 5947 PWs) bands (ev): -20.7794 -20.7794 -17.7286 -17.7286 -17.5389 -17.5389 -17.5385 -17.5385 -15.6918 -15.6918 -15.6916 -15.6916 -15.6837 -15.6837 -7.7309 -7.7309 -7.7276 -7.7276 -7.5182 -7.5182 -5.5324 -5.5324 -4.7265 -4.7265 -4.6899 -4.6899 -2.9435 -2.9435 -2.8955 -2.8955 -2.8872 -2.8872 -2.1987 -2.1987 -2.1397 -2.1397 -2.1220 -2.1220 -1.6493 -1.6493 -1.6155 -1.6155 -1.2224 -1.2224 -1.0328 -1.0328 -0.9148 -0.9148 -0.1104 -0.1104 0.1678 0.1678 0.1985 0.1985 1.1710 1.1710 1.3027 1.3027 1.3054 1.3054 1.5438 1.5438 1.5967 1.5967 1.6660 1.6660 3.1432 3.1432 4.7469 4.7469 4.7820 4.7820 4.7889 4.7889 5.1400 5.1400 5.1693 5.1693 5.1777 5.1777 5.4915 5.4915 5.4943 5.4943 5.8090 5.8090 k = 0.1700 0.1700 0.1700 ( 5953 PWs) bands (ev): -20.7790 -20.7790 -17.7232 -17.7232 -17.5394 -17.5394 -17.5389 -17.5389 -15.6957 -15.6957 -15.6955 -15.6955 -15.6868 -15.6868 -7.7152 -7.7152 -7.7116 -7.7116 -7.5111 -7.5111 -5.5283 -5.5283 -4.7246 -4.7246 -4.6840 -4.6840 -2.9734 -2.9734 -2.9202 -2.9202 -2.9110 -2.9110 -2.2164 -2.2164 -2.1548 -2.1548 -2.1459 -2.1459 -1.6404 -1.6404 -1.6050 -1.6050 -1.2424 -1.2424 -1.0383 -1.0383 -0.9145 -0.9145 -0.0966 -0.0966 0.1910 0.1910 0.2230 0.2230 1.1579 1.1579 1.3088 1.3088 1.3100 1.3100 1.5282 1.5282 1.5867 1.5867 1.6524 1.6524 3.2098 3.2098 4.7639 4.7639 4.7995 4.7995 4.8028 4.8028 5.1331 5.1331 5.1673 5.1673 5.1759 5.1759 5.5184 5.5184 5.5213 5.5213 5.8527 5.8527 k = 0.1800 0.1800 0.1800 ( 5941 PWs) bands (ev): -20.7786 -20.7786 -17.7175 -17.7175 -17.5398 -17.5398 -17.5394 -17.5394 -15.6997 -15.6997 -15.6995 -15.6995 -15.6902 -15.6902 -7.6987 -7.6987 -7.6947 -7.6947 -7.5034 -7.5034 -5.5245 -5.5245 -4.7230 -4.7230 -4.6786 -4.6786 -3.0038 -3.0038 -2.9457 -2.9457 -2.9353 -2.9353 -2.2356 -2.2356 -2.1698 -2.1698 -2.1695 -2.1695 -1.6318 -1.6318 -1.5956 -1.5956 -1.2606 -1.2606 -1.0420 -1.0420 -0.9135 -0.9135 -0.0825 -0.0825 0.2147 0.2147 0.2478 0.2478 1.1432 1.1432 1.3144 1.3144 1.3146 1.3146 1.5120 1.5120 1.5760 1.5760 1.6380 1.6380 3.2769 3.2769 4.7818 4.7818 4.8176 4.8176 4.8194 4.8194 5.1266 5.1266 5.1655 5.1655 5.1741 5.1741 5.5460 5.5460 5.5491 5.5491 5.8971 5.8971 k = 0.1900 0.1900 0.1900 ( 5947 PWs) bands (ev): -20.7781 -20.7781 -17.7116 -17.7116 -17.5403 -17.5403 -17.5398 -17.5398 -15.7038 -15.7038 -15.7036 -15.7036 -15.6937 -15.6937 -7.6814 -7.6814 -7.6771 -7.6771 -7.4951 -7.4951 -5.5210 -5.5210 -4.7220 -4.7220 -4.6737 -4.6737 -3.0345 -3.0345 -2.9716 -2.9716 -2.9599 -2.9599 -2.2571 -2.2571 -2.1920 -2.1920 -2.1845 -2.1845 -1.6236 -1.6236 -1.5871 -1.5871 -1.2770 -1.2770 -1.0438 -1.0438 -0.9117 -0.9117 -0.0684 -0.0684 0.2388 0.2388 0.2727 0.2727 1.1268 1.1268 1.3184 1.3184 1.3199 1.3199 1.4954 1.4954 1.5646 1.5646 1.6230 1.6230 3.3442 3.3442 4.8002 4.8002 4.8332 4.8332 4.8419 4.8419 5.1207 5.1207 5.1640 5.1640 5.1725 5.1725 5.5740 5.5740 5.5774 5.5774 5.9417 5.9417 k = 0.2000 0.2000 0.2000 ( 5926 PWs) bands (ev): -20.7777 -20.7777 -17.7054 -17.7054 -17.5408 -17.5408 -17.5402 -17.5402 -15.7080 -15.7080 -15.7078 -15.7078 -15.6974 -15.6974 -7.6634 -7.6634 -7.6588 -7.6588 -7.4863 -7.4863 -5.5179 -5.5179 -4.7215 -4.7215 -4.6696 -4.6696 -3.0652 -3.0652 -2.9978 -2.9978 -2.9846 -2.9846 -2.2816 -2.2816 -2.2125 -2.2125 -2.1990 -2.1990 -1.6157 -1.6157 -1.5796 -1.5796 -1.2915 -1.2915 -1.0436 -1.0436 -0.9092 -0.9092 -0.0542 -0.0542 0.2634 0.2634 0.2979 0.2979 1.1087 1.1087 1.3220 1.3220 1.3249 1.3249 1.4784 1.4784 1.5526 1.5526 1.6074 1.6074 3.4113 3.4113 4.8189 4.8189 4.8494 4.8494 4.8674 4.8674 5.1155 5.1155 5.1628 5.1628 5.1711 5.1711 5.6024 5.6024 5.6061 5.6061 5.9866 5.9866 k = 0.2100 0.2100 0.2100 ( 5926 PWs) bands (ev): -20.7773 -20.7773 -17.6990 -17.6990 -17.5413 -17.5413 -17.5406 -17.5406 -15.7124 -15.7124 -15.7122 -15.7122 -15.7013 -15.7013 -7.6447 -7.6447 -7.6397 -7.6397 -7.4768 -7.4768 -5.5153 -5.5153 -4.7218 -4.7218 -4.6664 -4.6664 -3.0958 -3.0958 -3.0243 -3.0243 -3.0094 -3.0094 -2.3090 -2.3090 -2.2307 -2.2307 -2.2132 -2.2132 -1.6079 -1.6079 -1.5729 -1.5729 -1.3042 -1.3042 -1.0415 -1.0415 -0.9060 -0.9060 -0.0399 -0.0399 0.2883 0.2883 0.3231 0.3231 1.0888 1.0888 1.3251 1.3251 1.3293 1.3293 1.4610 1.4610 1.5399 1.5399 1.5911 1.5911 3.4778 3.4778 4.8379 4.8379 4.8664 4.8664 4.8957 4.8957 5.1110 5.1110 5.1620 5.1620 5.1699 5.1699 5.6308 5.6308 5.6351 5.6351 6.0315 6.0315 k = 0.2200 0.2200 0.2200 ( 5938 PWs) bands (ev): -20.7769 -20.7769 -17.6925 -17.6925 -17.5417 -17.5417 -17.5411 -17.5411 -15.7168 -15.7168 -15.7166 -15.7166 -15.7054 -15.7054 -7.6254 -7.6254 -7.6201 -7.6201 -7.4667 -7.4667 -5.5133 -5.5133 -4.7227 -4.7227 -4.6642 -4.6642 -3.1261 -3.1261 -3.0509 -3.0509 -3.0340 -3.0340 -2.3390 -2.3390 -2.2471 -2.2471 -2.2272 -2.2272 -1.6003 -1.6003 -1.5668 -1.5668 -1.3152 -1.3152 -1.0375 -1.0375 -0.9021 -0.9021 -0.0257 -0.0257 0.3135 0.3135 0.3483 0.3483 1.0673 1.0673 1.3276 1.3276 1.3331 1.3331 1.4434 1.4434 1.5265 1.5265 1.5743 1.5743 3.5433 3.5433 4.8572 4.8572 4.8838 4.8838 4.9268 4.9268 5.1073 5.1073 5.1617 5.1617 5.1691 5.1691 5.6593 5.6593 5.6641 5.6641 6.0762 6.0762 k = 0.2300 0.2300 0.2300 ( 5938 PWs) bands (ev): -20.7764 -20.7764 -17.6858 -17.6858 -17.5422 -17.5422 -17.5415 -17.5415 -15.7213 -15.7213 -15.7211 -15.7211 -15.7096 -15.7096 -7.6054 -7.6054 -7.5998 -7.5998 -7.4561 -7.4561 -5.5118 -5.5118 -4.7245 -4.7245 -4.6632 -4.6632 -3.1557 -3.1557 -3.0774 -3.0774 -3.0583 -3.0583 -2.3708 -2.3708 -2.2619 -2.2619 -2.2409 -2.2409 -1.5928 -1.5928 -1.5612 -1.5612 -1.3247 -1.3247 -1.0317 -1.0317 -0.8976 -0.8976 -0.0115 -0.0115 0.3389 0.3389 0.3735 0.3735 1.0442 1.0442 1.3294 1.3294 1.3363 1.3363 1.4257 1.4257 1.5125 1.5125 1.5569 1.5569 3.6076 3.6076 4.8767 4.8767 4.9018 4.9018 4.9606 4.9606 5.1047 5.1047 5.1618 5.1618 5.1687 5.1687 5.6876 5.6876 5.6931 5.6931 6.1206 6.1206 k = 0.2400 0.2400 0.2400 ( 5935 PWs) bands (ev): -20.7760 -20.7760 -17.6790 -17.6790 -17.5427 -17.5427 -17.5419 -17.5419 -15.7258 -15.7258 -15.7256 -15.7256 -15.7139 -15.7139 -7.5849 -7.5849 -7.5790 -7.5790 -7.4449 -7.4449 -5.5111 -5.5111 -4.7272 -4.7272 -4.6634 -4.6634 -3.1844 -3.1844 -3.1036 -3.1036 -3.0823 -3.0823 -2.4039 -2.4039 -2.2757 -2.2757 -2.2543 -2.2543 -1.5853 -1.5853 -1.5559 -1.5559 -1.3327 -1.3327 -1.0242 -1.0242 -0.8925 -0.8925 0.0027 0.0027 0.3645 0.3645 0.3986 0.3986 1.0197 1.0197 1.3304 1.3304 1.3388 1.3388 1.4079 1.4079 1.4980 1.4980 1.5390 1.5390 3.6702 3.6702 4.8965 4.8965 4.9202 4.9202 4.9968 4.9968 5.1032 5.1032 5.1625 5.1625 5.1687 5.1687 5.7157 5.7157 5.7220 5.7220 6.1645 6.1645 k = 0.2500 0.2500 0.2500 ( 5950 PWs) bands (ev): -20.7756 -20.7756 -17.6720 -17.6720 -17.5431 -17.5431 -17.5423 -17.5423 -15.7304 -15.7304 -15.7302 -15.7302 -15.7184 -15.7184 -7.5639 -7.5639 -7.5577 -7.5577 -7.4331 -7.4331 -5.5110 -5.5110 -4.7308 -4.7308 -4.6651 -4.6651 -3.2122 -3.2122 -3.1294 -3.1294 -3.1056 -3.1056 -2.4377 -2.4377 -2.2886 -2.2886 -2.2674 -2.2674 -1.5778 -1.5778 -1.5507 -1.5507 -1.3394 -1.3394 -1.0152 -1.0152 -0.8869 -0.8869 0.0166 0.0166 0.3901 0.3901 0.4236 0.4236 0.9937 0.9937 1.3302 1.3302 1.3405 1.3405 1.3902 1.3902 1.4829 1.4829 1.5206 1.5206 3.7309 3.7309 4.9165 4.9165 4.9389 4.9389 5.0348 5.0348 5.1033 5.1033 5.1639 5.1639 5.1692 5.1692 5.7433 5.7433 5.7505 5.7505 6.2076 6.2076 k = 0.2600 0.2600 0.2600 ( 5929 PWs) bands (ev): -20.7752 -20.7752 -17.6650 -17.6650 -17.5435 -17.5435 -17.5427 -17.5427 -15.7350 -15.7350 -15.7348 -15.7348 -15.7229 -15.7229 -7.5424 -7.5424 -7.5361 -7.5361 -7.4207 -7.4207 -5.5118 -5.5118 -4.7353 -4.7353 -4.6684 -4.6684 -3.2388 -3.2388 -3.1547 -3.1547 -3.1284 -3.1284 -2.4719 -2.4719 -2.3007 -2.3007 -2.2803 -2.2803 -1.5702 -1.5702 -1.5455 -1.5455 -1.3448 -1.3448 -1.0048 -1.0048 -0.8808 -0.8808 0.0304 0.0304 0.4157 0.4157 0.4484 0.4484 0.9665 0.9665 1.3285 1.3285 1.3415 1.3415 1.3733 1.3733 1.4674 1.4674 1.5019 1.5019 3.7895 3.7895 4.9366 4.9366 4.9578 4.9578 5.0722 5.0722 5.1071 5.1071 5.1664 5.1664 5.1702 5.1702 5.7705 5.7705 5.7786 5.7786 6.2499 6.2499 k = 0.2700 0.2700 0.2700 ( 5923 PWs) bands (ev): -20.7748 -20.7748 -17.6579 -17.6579 -17.5440 -17.5440 -17.5430 -17.5430 -15.7396 -15.7396 -15.7394 -15.7394 -15.7276 -15.7276 -7.5206 -7.5206 -7.5140 -7.5140 -7.4078 -7.4078 -5.5133 -5.5133 -4.7408 -4.7408 -4.6732 -4.6732 -3.2641 -3.2641 -3.1792 -3.1792 -3.1503 -3.1503 -2.5063 -2.5063 -2.3124 -2.3124 -2.2928 -2.2928 -1.5625 -1.5625 -1.5402 -1.5402 -1.3489 -1.3489 -0.9933 -0.9933 -0.8743 -0.8743 0.0440 0.0440 0.4413 0.4413 0.4730 0.4730 0.9382 0.9382 1.3238 1.3238 1.3415 1.3415 1.3581 1.3581 1.4515 1.4515 1.4829 1.4829 3.8456 3.8456 4.9569 4.9569 4.9769 4.9769 5.0945 5.0945 5.1273 5.1273 5.1715 5.1715 5.1717 5.1717 5.7969 5.7969 5.8061 5.8061 6.2911 6.2911 k = 0.2800 0.2800 0.2800 ( 5929 PWs) bands (ev): -20.7744 -20.7744 -17.6507 -17.6507 -17.5444 -17.5444 -17.5434 -17.5434 -15.7442 -15.7442 -15.7440 -15.7440 -15.7323 -15.7323 -7.4985 -7.4985 -7.4917 -7.4917 -7.3944 -7.3944 -5.5157 -5.5157 -4.7473 -4.7473 -4.6798 -4.6798 -3.2880 -3.2880 -3.2028 -3.2028 -3.1714 -3.1714 -2.5404 -2.5404 -2.3235 -2.3235 -2.3049 -2.3049 -1.5546 -1.5546 -1.5346 -1.5346 -1.3519 -1.3519 -0.9808 -0.9808 -0.8675 -0.8675 0.0574 0.0574 0.4668 0.4668 0.4973 0.4973 0.9090 0.9090 1.3145 1.3145 1.3406 1.3406 1.3467 1.3467 1.4354 1.4354 1.4638 1.4638 3.8992 3.8992 4.9772 4.9772 4.9959 4.9959 5.1006 5.1006 5.1551 5.1551 5.1737 5.1737 5.1889 5.1889 5.8227 5.8227 5.8330 5.8330 6.3311 6.3311 k = 0.2900 0.2900 0.2900 ( 5932 PWs) bands (ev): -20.7740 -20.7740 -17.6436 -17.6436 -17.5448 -17.5448 -17.5437 -17.5437 -15.7487 -15.7487 -15.7485 -15.7485 -15.7371 -15.7371 -7.4761 -7.4761 -7.4692 -7.4692 -7.3806 -7.3806 -5.5190 -5.5190 -4.7548 -4.7548 -4.6879 -4.6879 -3.3105 -3.3105 -3.2253 -3.2253 -3.1914 -3.1914 -2.5741 -2.5741 -2.3341 -2.3341 -2.3168 -2.3168 -1.5466 -1.5466 -1.5288 -1.5288 -1.3539 -1.3539 -0.9675 -0.9675 -0.8604 -0.8604 0.0704 0.0704 0.4922 0.4922 0.5213 0.5213 0.8789 0.8789 1.3002 1.3002 1.3385 1.3385 1.3390 1.3390 1.4193 1.4193 1.4447 1.4447 3.9501 3.9501 4.9973 4.9973 5.0150 5.0150 5.1048 5.1048 5.1658 5.1658 5.1762 5.1762 5.2290 5.2290 5.8475 5.8475 5.8591 5.8591 6.3697 6.3697 k = 0.3000 0.3000 0.3000 ( 5950 PWs) bands (ev): -20.7736 -20.7736 -17.6364 -17.6364 -17.5451 -17.5451 -17.5441 -17.5441 -15.7532 -15.7532 -15.7530 -15.7530 -15.7419 -15.7419 -7.4536 -7.4536 -7.4466 -7.4466 -7.3664 -7.3664 -5.5231 -5.5231 -4.7633 -4.7633 -4.6978 -4.6978 -3.3316 -3.3316 -3.2466 -3.2466 -3.2105 -3.2105 -2.6072 -2.6072 -2.3443 -2.3443 -2.3282 -2.3282 -1.5385 -1.5385 -1.5226 -1.5226 -1.3548 -1.3548 -0.9536 -0.9536 -0.8530 -0.8530 0.0832 0.0832 0.5174 0.5174 0.5451 0.5451 0.8483 0.8483 1.2831 1.2831 1.3327 1.3327 1.3348 1.3348 1.4037 1.4037 1.4261 1.4261 3.9981 3.9981 5.0174 5.0174 5.0338 5.0338 5.1093 5.1093 5.1712 5.1712 5.1793 5.1793 5.2773 5.2773 5.8715 5.8715 5.8844 5.8844 6.4066 6.4066 k = 0.3100 0.3100 0.3100 ( 5920 PWs) bands (ev): -20.7732 -20.7732 -17.6294 -17.6294 -17.5455 -17.5455 -17.5444 -17.5444 -15.7576 -15.7576 -15.7574 -15.7574 -15.7467 -15.7467 -7.4310 -7.4310 -7.4240 -7.4240 -7.3519 -7.3519 -5.5281 -5.5281 -4.7726 -4.7726 -4.7092 -4.7092 -3.3514 -3.3514 -3.2663 -3.2663 -3.2285 -3.2285 -2.6395 -2.6395 -2.3541 -2.3541 -2.3393 -2.3393 -1.5302 -1.5302 -1.5161 -1.5161 -1.3546 -1.3546 -0.9393 -0.9393 -0.8455 -0.8455 0.0956 0.0956 0.5423 0.5423 0.5685 0.5685 0.8171 0.8171 1.2649 1.2649 1.3259 1.3259 1.3291 1.3291 1.3892 1.3892 1.4084 1.4084 4.0433 4.0433 5.0371 5.0371 5.0524 5.0524 5.1146 5.1146 5.1760 5.1760 5.1829 5.1829 5.3286 5.3286 5.8944 5.8944 5.9087 5.9087 6.4419 6.4419 k = 0.3200 0.3200 0.3200 ( 5932 PWs) bands (ev): -20.7729 -20.7729 -17.6224 -17.6224 -17.5458 -17.5458 -17.5447 -17.5447 -15.7619 -15.7619 -15.7617 -15.7617 -15.7515 -15.7515 -7.4085 -7.4085 -7.4015 -7.4015 -7.3371 -7.3371 -5.5338 -5.5338 -4.7828 -4.7828 -4.7221 -4.7221 -3.3699 -3.3699 -3.2845 -3.2845 -3.2454 -3.2454 -2.6709 -2.6709 -2.3635 -2.3635 -2.3499 -2.3499 -1.5219 -1.5219 -1.5094 -1.5094 -1.3535 -1.3535 -0.9246 -0.9246 -0.8379 -0.8379 0.1077 0.1077 0.5670 0.5670 0.5915 0.5915 0.7857 0.7857 1.2461 1.2461 1.3175 1.3175 1.3206 1.3206 1.3765 1.3765 1.3921 1.3921 4.0856 4.0856 5.0564 5.0564 5.0705 5.0705 5.1205 5.1205 5.1809 5.1809 5.1870 5.1870 5.3817 5.3817 5.9163 5.9163 5.9320 5.9320 6.4751 6.4751 k = 0.3300 0.3300 0.3300 ( 5932 PWs) bands (ev): -20.7725 -20.7725 -17.6155 -17.6155 -17.5461 -17.5461 -17.5449 -17.5449 -15.7661 -15.7661 -15.7659 -15.7659 -15.7563 -15.7563 -7.3861 -7.3861 -7.3792 -7.3792 -7.3221 -7.3221 -5.5404 -5.5404 -4.7938 -4.7938 -4.7364 -4.7364 -3.3873 -3.3873 -3.3008 -3.3008 -3.2611 -3.2611 -2.7012 -2.7012 -2.3724 -2.3724 -2.3602 -2.3602 -1.5134 -1.5134 -1.5023 -1.5023 -1.3515 -1.3515 -0.9098 -0.9098 -0.8302 -0.8302 0.1193 0.1193 0.5913 0.5913 0.6140 0.6140 0.7542 0.7542 1.2271 1.2271 1.3066 1.3066 1.3090 1.3090 1.3661 1.3661 1.3780 1.3780 4.1251 4.1251 5.0752 5.0752 5.0881 5.0881 5.1271 5.1271 5.1861 5.1861 5.1916 5.1916 5.4361 5.4361 5.9370 5.9370 5.9543 5.9543 6.5063 6.5063 k = 0.3400 0.3400 0.3400 ( 5938 PWs) bands (ev): -20.7722 -20.7722 -17.6088 -17.6088 -17.5464 -17.5464 -17.5452 -17.5452 -15.7701 -15.7701 -15.7700 -15.7700 -15.7610 -15.7610 -7.3640 -7.3640 -7.3571 -7.3571 -7.3070 -7.3070 -5.5477 -5.5477 -4.8054 -4.8054 -4.7517 -4.7517 -3.4038 -3.4038 -3.3152 -3.3152 -3.2756 -3.2756 -2.7304 -2.7304 -2.3809 -2.3809 -2.3699 -2.3699 -1.5049 -1.5049 -1.4951 -1.4951 -1.3486 -1.3486 -0.8950 -0.8950 -0.8226 -0.8226 0.1305 0.1305 0.6152 0.6152 0.6362 0.6362 0.7228 0.7228 1.2083 1.2083 1.2930 1.2930 1.2945 1.2945 1.3580 1.3580 1.3663 1.3663 4.1616 4.1616 5.0933 5.0933 5.1050 5.1050 5.1343 5.1343 5.1917 5.1917 5.1967 5.1967 5.4912 5.4912 5.9565 5.9565 5.9753 5.9753 6.5352 6.5352 k = 0.3500 0.3500 0.3500 ( 5932 PWs) bands (ev): -20.7719 -20.7719 -17.6023 -17.6023 -17.5467 -17.5467 -17.5454 -17.5454 -15.7740 -15.7740 -15.7739 -15.7739 -15.7656 -15.7656 -7.3422 -7.3422 -7.3355 -7.3355 -7.2918 -7.2918 -5.5556 -5.5556 -4.8176 -4.8176 -4.7680 -4.7680 -3.4194 -3.4194 -3.3277 -3.3277 -3.2890 -3.2890 -2.7582 -2.7582 -2.3890 -2.3890 -2.3792 -2.3792 -1.4964 -1.4964 -1.4878 -1.4878 -1.3449 -1.3449 -0.8802 -0.8802 -0.8149 -0.8149 0.1413 0.1413 0.6387 0.6387 0.6579 0.6579 0.6917 0.6917 1.1896 1.1896 1.2767 1.2767 1.2779 1.2779 1.3514 1.3514 1.3570 1.3570 4.1954 4.1954 5.1106 5.1106 5.1211 5.1211 5.1420 5.1420 5.1977 5.1977 5.2023 5.2023 5.5467 5.5467 5.9749 5.9749 5.9952 5.9952 6.5618 6.5618 k = 0.3600 0.3600 0.3600 ( 5920 PWs) bands (ev): -20.7716 -20.7716 -17.5960 -17.5960 -17.5469 -17.5469 -17.5456 -17.5456 -15.7778 -15.7778 -15.7776 -15.7776 -15.7701 -15.7701 -7.3208 -7.3208 -7.3144 -7.3144 -7.2768 -7.2768 -5.5640 -5.5640 -4.8301 -4.8301 -4.7850 -4.7850 -3.4341 -3.4341 -3.3383 -3.3383 -3.3012 -3.3012 -2.7846 -2.7846 -2.3966 -2.3966 -2.3881 -2.3881 -1.4880 -1.4880 -1.4804 -1.4804 -1.3404 -1.3404 -0.8657 -0.8657 -0.8074 -0.8074 0.1516 0.1516 0.6609 0.6609 0.6618 0.6618 0.6792 0.6792 1.1714 1.1714 1.2586 1.2586 1.2599 1.2599 1.3459 1.3459 1.3495 1.3495 4.2265 4.2265 5.1270 5.1270 5.1362 5.1362 5.1501 5.1501 5.2041 5.2041 5.2084 5.2084 5.6022 5.6022 5.9920 5.9920 6.0139 6.0139 6.5858 6.5858 k = 0.3700 0.3700 0.3700 ( 5920 PWs) bands (ev): -20.7714 -20.7714 -17.5899 -17.5899 -17.5471 -17.5471 -17.5458 -17.5458 -15.7813 -15.7813 -15.7812 -15.7812 -15.7744 -15.7744 -7.3001 -7.3001 -7.2939 -7.2939 -7.2620 -7.2620 -5.5729 -5.5729 -4.8429 -4.8429 -4.8025 -4.8025 -3.4481 -3.4481 -3.3470 -3.3470 -3.3124 -3.3124 -2.8095 -2.8095 -2.4038 -2.4038 -2.3964 -2.3964 -1.4797 -1.4797 -1.4731 -1.4731 -1.3354 -1.3354 -0.8515 -0.8515 -0.8001 -0.8001 0.1614 0.1614 0.6310 0.6310 0.6843 0.6843 0.6999 0.6999 1.1536 1.1536 1.2392 1.2392 1.2410 1.2410 1.3409 1.3409 1.3431 1.3431 4.2550 4.2550 5.1421 5.1421 5.1503 5.1503 5.1585 5.1585 5.2109 5.2109 5.2150 5.2150 5.6573 5.6573 6.0079 6.0079 6.0313 6.0313 6.6073 6.6073 k = 0.3800 0.3800 0.3800 ( 5929 PWs) bands (ev): -20.7711 -20.7711 -17.5842 -17.5842 -17.5473 -17.5473 -17.5460 -17.5460 -15.7847 -15.7847 -15.7846 -15.7846 -15.7786 -15.7786 -7.2801 -7.2801 -7.2743 -7.2743 -7.2475 -7.2475 -5.5821 -5.5821 -4.8557 -4.8557 -4.8201 -4.8201 -3.4612 -3.4612 -3.3541 -3.3541 -3.3224 -3.3224 -2.8328 -2.8328 -2.4105 -2.4105 -2.4041 -2.4041 -1.4717 -1.4717 -1.4659 -1.4659 -1.3298 -1.3298 -0.8377 -0.8377 -0.7929 -0.7929 0.1706 0.1706 0.6019 0.6019 0.7064 0.7064 0.7201 0.7201 1.1365 1.1365 1.2192 1.2192 1.2217 1.2217 1.3363 1.3363 1.3376 1.3376 4.2809 4.2809 5.1559 5.1559 5.1631 5.1631 5.1671 5.1671 5.2181 5.2181 5.2220 5.2220 5.7114 5.7114 6.0226 6.0226 6.0474 6.0474 6.6261 6.6261 k = 0.3900 0.3900 0.3900 ( 5932 PWs) bands (ev): -20.7709 -20.7709 -17.5787 -17.5787 -17.5475 -17.5475 -17.5461 -17.5461 -15.7879 -15.7879 -15.7877 -15.7877 -15.7825 -15.7825 -7.2610 -7.2610 -7.2555 -7.2555 -7.2334 -7.2334 -5.5914 -5.5914 -4.8684 -4.8684 -4.8376 -4.8376 -3.4735 -3.4735 -3.3598 -3.3598 -3.3315 -3.3315 -2.8545 -2.8545 -2.4167 -2.4167 -2.4114 -2.4114 -1.4639 -1.4639 -1.4589 -1.4589 -1.3238 -1.3238 -0.8245 -0.8245 -0.7861 -0.7861 0.1792 0.1792 0.5739 0.5739 0.7279 0.7279 0.7398 0.7398 1.1201 1.1201 1.1988 1.1988 1.2021 1.2021 1.3320 1.3320 1.3327 1.3327 4.3044 4.3044 5.1681 5.1681 5.1745 5.1745 5.1759 5.1759 5.2258 5.2258 5.2294 5.2294 5.7643 5.7643 6.0361 6.0361 6.0623 6.0623 6.6422 6.6422 k = 0.4000 0.4000 0.4000 ( 5932 PWs) bands (ev): -20.7707 -20.7707 -17.5737 -17.5737 -17.5477 -17.5477 -17.5463 -17.5463 -15.7908 -15.7908 -15.7906 -15.7906 -15.7862 -15.7862 -7.2429 -7.2429 -7.2378 -7.2378 -7.2200 -7.2200 -5.6007 -5.6007 -4.8808 -4.8808 -4.8547 -4.8547 -3.4848 -3.4848 -3.3641 -3.3641 -3.3395 -3.3395 -2.8745 -2.8745 -2.4225 -2.4225 -2.4180 -2.4180 -1.4565 -1.4565 -1.4523 -1.4523 -1.3176 -1.3176 -0.8120 -0.8120 -0.7796 -0.7796 0.1873 0.1873 0.5473 0.5473 0.7488 0.7488 0.7590 0.7590 1.1046 1.1046 1.1785 1.1785 1.1824 1.1824 1.3279 1.3279 1.3282 1.3282 4.3255 4.3255 5.1786 5.1786 5.1846 5.1846 5.1846 5.1846 5.2338 5.2338 5.2371 5.2371 5.8153 5.8153 6.0484 6.0484 6.0758 6.0758 6.6556 6.6556 k = 0.4100 0.4100 0.4100 ( 5944 PWs) bands (ev): -20.7705 -20.7705 -17.5690 -17.5690 -17.5478 -17.5478 -17.5464 -17.5464 -15.7935 -15.7935 -15.7933 -15.7933 -15.7897 -15.7897 -7.2260 -7.2260 -7.2213 -7.2213 -7.2072 -7.2072 -5.6099 -5.6099 -4.8928 -4.8928 -4.8711 -4.8711 -3.4952 -3.4952 -3.3674 -3.3674 -3.3465 -3.3465 -2.8927 -2.8927 -2.4277 -2.4277 -2.4241 -2.4241 -1.4495 -1.4495 -1.4460 -1.4460 -1.3113 -1.3113 -0.8002 -0.8002 -0.7735 -0.7735 0.1947 0.1947 0.5222 0.5222 0.7691 0.7691 0.7777 0.7777 1.0901 1.0901 1.1583 1.1583 1.1629 1.1629 1.3240 1.3240 1.3241 1.3241 4.3444 4.3444 5.1877 5.1877 5.1930 5.1930 5.1934 5.1934 5.2419 5.2419 5.2449 5.2449 5.8640 5.8640 6.0597 6.0597 6.0880 6.0880 6.6663 6.6663 k = 0.4200 0.4200 0.4200 ( 5944 PWs) bands (ev): -20.7703 -20.7703 -17.5647 -17.5647 -17.5480 -17.5480 -17.5465 -17.5465 -15.7960 -15.7960 -15.7958 -15.7958 -15.7928 -15.7928 -7.2103 -7.2103 -7.2061 -7.2061 -7.1953 -7.1953 -5.6187 -5.6187 -4.9041 -4.9041 -4.8866 -4.8866 -3.5045 -3.5045 -3.3699 -3.3699 -3.3527 -3.3527 -2.9091 -2.9091 -2.4324 -2.4324 -2.4296 -2.4296 -1.4430 -1.4430 -1.4402 -1.4402 -1.3050 -1.3050 -0.7893 -0.7893 -0.7678 -0.7678 0.2015 0.2015 0.4990 0.4990 0.7888 0.7888 0.7957 0.7957 1.0767 1.0767 1.1386 1.1386 1.1437 1.1437 1.3204 1.3204 1.3204 1.3204 4.3611 4.3611 5.1957 5.1957 5.2007 5.2007 5.2010 5.2010 5.2500 5.2500 5.2526 5.2526 5.9098 5.9098 6.0700 6.0700 6.0988 6.0988 6.6746 6.6746 k = 0.4300 0.4300 0.4300 ( 5932 PWs) bands (ev): -20.7702 -20.7702 -17.5609 -17.5609 -17.5480 -17.5480 -17.5466 -17.5466 -15.7982 -15.7982 -15.7980 -15.7980 -15.7957 -15.7957 -7.1962 -7.1962 -7.1923 -7.1923 -7.1844 -7.1844 -5.6270 -5.6270 -4.9145 -4.9145 -4.9009 -4.9009 -3.5129 -3.5129 -3.3716 -3.3716 -3.3580 -3.3580 -2.9237 -2.9237 -2.4366 -2.4366 -2.4344 -2.4344 -1.4371 -1.4371 -1.4349 -1.4349 -1.2989 -1.2989 -0.7794 -0.7794 -0.7627 -0.7627 0.2075 0.2075 0.4778 0.4778 0.8077 0.8077 0.8131 0.8131 1.0645 1.0645 1.1195 1.1195 1.1250 1.1250 1.3171 1.3171 1.3172 1.3172 4.3757 4.3757 5.2029 5.2029 5.2074 5.2074 5.2074 5.2074 5.2578 5.2578 5.2600 5.2600 5.9518 5.9518 6.0795 6.0795 6.1084 6.1084 6.6805 6.6805 k = 0.4400 0.4400 0.4400 ( 5935 PWs) bands (ev): -20.7701 -20.7701 -17.5575 -17.5575 -17.5481 -17.5481 -17.5467 -17.5467 -15.8001 -15.8001 -15.7999 -15.7999 -15.7982 -15.7982 -7.1836 -7.1836 -7.1801 -7.1801 -7.1746 -7.1746 -5.6347 -5.6347 -4.9239 -4.9239 -4.9138 -4.9138 -3.5201 -3.5201 -3.3728 -3.3728 -3.3625 -3.3625 -2.9363 -2.9363 -2.4403 -2.4403 -2.4387 -2.4387 -1.4318 -1.4318 -1.4302 -1.4302 -1.2932 -1.2932 -0.7705 -0.7705 -0.7581 -0.7581 0.2129 0.2129 0.4588 0.4588 0.8257 0.8257 0.8298 0.8298 1.0535 1.0535 1.1012 1.1012 1.1069 1.1069 1.3141 1.3141 1.3142 1.3142 4.3882 4.3882 5.2092 5.2092 5.2129 5.2129 5.2131 5.2131 5.2651 5.2651 5.2668 5.2668 5.9893 5.9893 6.0887 6.0887 6.1167 6.1167 6.6843 6.6843 k = 0.4500 0.4500 0.4500 ( 5935 PWs) bands (ev): -20.7699 -20.7699 -17.5547 -17.5547 -17.5481 -17.5481 -17.5468 -17.5468 -15.8017 -15.8017 -15.8015 -15.8015 -15.8003 -15.8003 -7.1727 -7.1727 -7.1695 -7.1695 -7.1660 -7.1660 -5.6414 -5.6414 -4.9322 -4.9322 -4.9251 -4.9251 -3.5263 -3.5263 -3.3735 -3.3735 -3.3663 -3.3663 -2.9471 -2.9471 -2.4434 -2.4434 -2.4423 -2.4423 -1.4273 -1.4273 -1.4261 -1.4261 -1.2880 -1.2880 -0.7628 -0.7628 -0.7541 -0.7541 0.2174 0.2174 0.4424 0.4424 0.8427 0.8427 0.8456 0.8456 1.0438 1.0438 1.0842 1.0842 1.0897 1.0897 1.3115 1.3115 1.3116 1.3116 4.3987 4.3987 5.2146 5.2146 5.2174 5.2174 5.2179 5.2179 5.2716 5.2716 5.2728 5.2728 6.0211 6.0211 6.0980 6.0980 6.1236 6.1236 6.6864 6.6864 k = 0.4600 0.4600 0.4600 ( 5938 PWs) bands (ev): -20.7699 -20.7699 -17.5524 -17.5524 -17.5481 -17.5481 -17.5468 -17.5468 -15.8031 -15.8031 -15.8029 -15.8029 -15.8021 -15.8021 -7.1637 -7.1637 -7.1607 -7.1607 -7.1588 -7.1588 -5.6472 -5.6472 -4.9392 -4.9392 -4.9346 -4.9346 -3.5313 -3.5313 -3.3740 -3.3740 -3.3693 -3.3693 -2.9560 -2.9560 -2.4459 -2.4459 -2.4452 -2.4452 -1.4235 -1.4235 -1.4227 -1.4227 -1.2836 -1.2836 -0.7564 -0.7564 -0.7508 -0.7508 0.2212 0.2212 0.4286 0.4286 0.8584 0.8584 0.8602 0.8602 1.0353 1.0353 1.0688 1.0688 1.0738 1.0738 1.3094 1.3094 1.3095 1.3095 4.4072 4.4072 5.2192 5.2192 5.2210 5.2210 5.2217 5.2217 5.2771 5.2771 5.2779 5.2779 6.0458 6.0458 6.1080 6.1080 6.1293 6.1293 6.6872 6.6872 k = 0.4700 0.4700 0.4700 ( 5929 PWs) bands (ev): -20.7698 -20.7698 -17.5507 -17.5507 -17.5479 -17.5479 -17.5469 -17.5469 -15.8041 -15.8041 -15.8039 -15.8039 -15.8035 -15.8035 -7.1568 -7.1568 -7.1538 -7.1538 -7.1529 -7.1529 -5.6519 -5.6519 -4.9447 -4.9447 -4.9421 -4.9421 -3.5352 -3.5352 -3.3743 -3.3743 -3.3716 -3.3716 -2.9629 -2.9629 -2.4479 -2.4479 -2.4475 -2.4475 -1.4205 -1.4205 -1.4200 -1.4200 -1.2800 -1.2800 -0.7513 -0.7513 -0.7481 -0.7481 0.2242 0.2242 0.4177 0.4177 0.8722 0.8722 0.8732 0.8732 1.0281 1.0281 1.0558 1.0558 1.0597 1.0597 1.3077 1.3077 1.3078 1.3078 4.4138 4.4138 5.2228 5.2228 5.2238 5.2238 5.2248 5.2248 5.2815 5.2815 5.2820 5.2820 6.0628 6.0628 6.1190 6.1190 6.1337 6.1337 6.6871 6.6871 k = 0.4800 0.4800 0.4800 ( 5923 PWs) bands (ev): -20.7697 -20.7697 -17.5498 -17.5498 -17.5475 -17.5475 -17.5469 -17.5469 -15.8049 -15.8049 -15.8047 -15.8047 -15.8045 -15.8045 -7.1519 -7.1519 -7.1488 -7.1488 -7.1485 -7.1485 -5.6553 -5.6553 -4.9488 -4.9488 -4.9476 -4.9476 -3.5380 -3.5380 -3.3744 -3.3744 -3.3732 -3.3732 -2.9678 -2.9678 -2.4494 -2.4494 -2.4492 -2.4492 -1.4183 -1.4183 -1.4181 -1.4181 -1.2773 -1.2773 -0.7477 -0.7477 -0.7462 -0.7462 0.2264 0.2264 0.4098 0.4098 0.8833 0.8833 0.8837 0.8837 1.0220 1.0220 1.0460 1.0460 1.0484 1.0484 1.3065 1.3065 1.3065 1.3065 4.4185 4.4185 5.2253 5.2253 5.2258 5.2258 5.2269 5.2269 5.2847 5.2847 5.2849 5.2849 6.0730 6.0730 6.1294 6.1294 6.1369 6.1369 6.6866 6.6866 k = 0.4900 0.4900 0.4900 ( 5904 PWs) bands (ev): -20.7697 -20.7697 -17.5494 -17.5494 -17.5471 -17.5471 -17.5469 -17.5469 -15.8054 -15.8054 -15.8051 -15.8051 -15.8051 -15.8051 -7.1490 -7.1490 -7.1458 -7.1458 -7.1457 -7.1457 -5.6573 -5.6573 -4.9512 -4.9512 -4.9509 -4.9509 -3.5397 -3.5397 -3.3745 -3.3745 -3.3742 -3.3742 -2.9708 -2.9708 -2.4502 -2.4502 -2.4502 -2.4502 -1.4170 -1.4170 -1.4169 -1.4169 -1.2757 -1.2757 -0.7454 -0.7454 -0.7451 -0.7451 0.2277 0.2277 0.4050 0.4050 0.8908 0.8908 0.8909 0.8909 1.0176 1.0176 1.0400 1.0400 1.0408 1.0408 1.3058 1.3058 1.3058 1.3058 4.4213 4.4213 5.2269 5.2269 5.2270 5.2270 5.2282 5.2282 5.2867 5.2867 5.2867 5.2867 6.0782 6.0782 6.1368 6.1368 6.1388 6.1388 6.6861 6.6861 k = 0.5000 0.5000 0.5000 ( 5904 PWs) bands (ev): -20.7697 -20.7697 -17.5493 -17.5493 -17.5469 -17.5469 -17.5469 -17.5469 -15.8056 -15.8056 -15.8053 -15.8053 -15.8053 -15.8053 -7.1480 -7.1480 -7.1448 -7.1448 -7.1448 -7.1448 -5.6580 -5.6580 -4.9521 -4.9521 -4.9521 -4.9521 -3.5403 -3.5403 -3.3745 -3.3745 -3.3745 -3.3745 -2.9718 -2.9718 -2.4505 -2.4505 -2.4505 -2.4505 -1.4165 -1.4165 -1.4165 -1.4165 -1.2751 -1.2751 -0.7447 -0.7447 -0.7447 -0.7447 0.2281 0.2281 0.4034 0.4034 0.8934 0.8934 0.8934 0.8934 1.0159 1.0159 1.0381 1.0381 1.0381 1.0381 1.3055 1.3055 1.3055 1.3055 4.4223 4.4223 5.2274 5.2274 5.2274 5.2274 5.2287 5.2287 5.2873 5.2873 5.2873 5.2873 6.0798 6.0798 6.1394 6.1394 6.1394 6.1394 6.6859 6.6859 k = 0.5000 0.5000 0.5000 ( 5904 PWs) bands (ev): -20.7697 -20.7697 -17.5493 -17.5493 -17.5469 -17.5469 -17.5469 -17.5469 -15.8056 -15.8056 -15.8053 -15.8053 -15.8053 -15.8053 -7.1480 -7.1480 -7.1448 -7.1448 -7.1448 -7.1448 -5.6580 -5.6580 -4.9521 -4.9521 -4.9521 -4.9521 -3.5403 -3.5403 -3.3745 -3.3745 -3.3745 -3.3745 -2.9718 -2.9718 -2.4505 -2.4505 -2.4505 -2.4505 -1.4165 -1.4165 -1.4165 -1.4165 -1.2751 -1.2751 -0.7447 -0.7447 -0.7447 -0.7447 0.2281 0.2281 0.4034 0.4034 0.8934 0.8934 0.8934 0.8934 1.0159 1.0159 1.0381 1.0381 1.0381 1.0381 1.3055 1.3055 1.3055 1.3055 4.4223 4.4223 5.2274 5.2274 5.2274 5.2274 5.2287 5.2287 5.2873 5.2873 5.2873 5.2873 6.0798 6.0798 6.1394 6.1394 6.1394 6.1394 6.6859 6.6859 k = 0.4878 0.5000 0.4878 ( 5904 PWs) bands (ev): -20.7697 -20.7697 -17.5494 -17.5494 -17.5471 -17.5471 -17.5469 -17.5469 -15.8054 -15.8054 -15.8051 -15.8051 -15.8050 -15.8050 -7.1491 -7.1491 -7.1462 -7.1462 -7.1452 -7.1452 -5.6574 -5.6574 -4.9514 -4.9514 -4.9508 -4.9508 -3.5397 -3.5397 -3.3748 -3.3748 -3.3739 -3.3739 -2.9708 -2.9708 -2.4504 -2.4504 -2.4500 -2.4500 -1.4171 -1.4171 -1.4168 -1.4168 -1.2757 -1.2757 -0.7455 -0.7455 -0.7450 -0.7450 0.2277 0.2277 0.4050 0.4050 0.8898 0.8898 0.8919 0.8919 1.0176 1.0176 1.0396 1.0396 1.0412 1.0412 1.3056 1.3056 1.3060 1.3060 4.4213 4.4213 5.2268 5.2268 5.2271 5.2271 5.2283 5.2283 5.2867 5.2867 5.2868 5.2868 6.0782 6.0782 6.1368 6.1368 6.1387 6.1387 6.6861 6.6861 k = 0.4756 0.5000 0.4756 ( 5926 PWs) bands (ev): -20.7697 -20.7697 -17.5497 -17.5497 -17.5476 -17.5476 -17.5468 -17.5468 -15.8053 -15.8053 -15.8045 -15.8045 -15.8043 -15.8043 -7.1529 -7.1529 -7.1504 -7.1504 -7.1457 -7.1457 -5.6553 -5.6553 -4.9495 -4.9495 -4.9469 -4.9469 -3.5381 -3.5381 -3.3755 -3.3755 -3.3722 -3.3722 -2.9678 -2.9678 -2.4499 -2.4499 -2.4486 -2.4486 -1.4189 -1.4189 -1.4174 -1.4174 -1.2773 -1.2773 -0.7477 -0.7477 -0.7461 -0.7461 0.2264 0.2264 0.4097 0.4097 0.8799 0.8799 0.8875 0.8875 1.0219 1.0219 1.0440 1.0440 1.0501 1.0501 1.3058 1.3058 1.3073 1.3073 4.4186 4.4186 5.2251 5.2251 5.2258 5.2258 5.2273 5.2273 5.2846 5.2846 5.2851 5.2851 6.0731 6.0731 6.1292 6.1292 6.1370 6.1370 6.6866 6.6866 k = 0.4634 0.5000 0.4634 ( 5934 PWs) bands (ev): -20.7698 -20.7698 -17.5505 -17.5505 -17.5483 -17.5483 -17.5466 -17.5466 -15.8051 -15.8051 -15.8033 -15.8033 -15.8032 -15.8032 -7.1596 -7.1596 -7.1574 -7.1574 -7.1462 -7.1462 -5.6520 -5.6520 -4.9464 -4.9464 -4.9406 -4.9406 -3.5355 -3.5355 -3.3765 -3.3765 -3.3692 -3.3692 -2.9630 -2.9630 -2.4492 -2.4492 -2.4463 -2.4463 -1.4219 -1.4219 -1.4186 -1.4186 -1.2799 -1.2799 -0.7515 -0.7515 -0.7479 -0.7479 0.2243 0.2243 0.4176 0.4176 0.8653 0.8653 0.8806 0.8806 1.0281 1.0281 1.0512 1.0512 1.0635 1.0635 1.3061 1.3061 1.3094 1.3094 4.4139 4.4139 5.2220 5.2220 5.2234 5.2234 5.2260 5.2260 5.2811 5.2811 5.2824 5.2824 6.0636 6.0636 6.1176 6.1176 6.1347 6.1347 6.6872 6.6872 k = 0.4512 0.5000 0.4512 ( 5938 PWs) bands (ev): -20.7698 -20.7698 -17.5517 -17.5517 -17.5493 -17.5493 -17.5462 -17.5462 -15.8049 -15.8049 -15.8017 -15.8017 -15.8015 -15.8015 -7.1692 -7.1692 -7.1669 -7.1669 -7.1466 -7.1466 -5.6474 -5.6474 -4.9421 -4.9421 -4.9320 -4.9320 -3.5319 -3.5319 -3.3778 -3.3778 -3.3650 -3.3650 -2.9562 -2.9562 -2.4481 -2.4481 -2.4430 -2.4430 -1.4260 -1.4260 -1.4202 -1.4202 -1.2834 -1.2834 -0.7568 -0.7568 -0.7503 -0.7503 0.2213 0.2213 0.4284 0.4284 0.8477 0.8477 0.8720 0.8720 1.0357 1.0357 1.0607 1.0607 1.0802 1.0802 1.3065 1.3065 1.3123 1.3123 4.4074 4.4074 5.2178 5.2178 5.2199 5.2199 5.2244 5.2244 5.2765 5.2765 5.2786 5.2786 6.0485 6.0485 6.1027 6.1027 6.1325 6.1325 6.6877 6.6877 k = 0.4390 0.5000 0.4390 ( 5936 PWs) bands (ev): -20.7699 -20.7699 -17.5534 -17.5534 -17.5504 -17.5504 -17.5456 -17.5456 -15.8046 -15.8046 -15.7996 -15.7996 -15.7994 -15.7994 -7.1814 -7.1814 -7.1787 -7.1787 -7.1470 -7.1470 -5.6418 -5.6418 -4.9367 -4.9367 -4.9212 -4.9212 -3.5278 -3.5278 -3.3791 -3.3791 -3.3595 -3.3595 -2.9476 -2.9476 -2.4467 -2.4467 -2.4388 -2.4388 -1.4312 -1.4312 -1.4223 -1.4223 -1.2876 -1.2876 -0.7634 -0.7634 -0.7533 -0.7533 0.2176 0.2176 0.4421 0.4421 0.8279 0.8279 0.8619 0.8619 1.0447 1.0447 1.0720 1.0720 1.0990 1.0990 1.3071 1.3071 1.3160 1.3160 4.3991 4.3991 5.2124 5.2124 5.2155 5.2155 5.2222 5.2222 5.2707 5.2707 5.2738 5.2738 6.0272 6.0272 6.0856 6.0856 6.1307 6.1307 6.6875 6.6875 k = 0.4268 0.5000 0.4268 ( 5928 PWs) bands (ev): -20.7700 -20.7700 -17.5556 -17.5556 -17.5517 -17.5517 -17.5449 -17.5449 -15.8043 -15.8043 -15.7972 -15.7972 -15.7969 -15.7969 -7.1960 -7.1960 -7.1928 -7.1928 -7.1476 -7.1476 -5.6353 -5.6353 -4.9302 -4.9302 -4.9085 -4.9085 -3.5233 -3.5233 -3.3800 -3.3800 -3.3526 -3.3526 -2.9371 -2.9371 -2.4450 -2.4450 -2.4337 -2.4337 -1.4374 -1.4374 -1.4250 -1.4250 -1.2924 -1.2924 -0.7714 -0.7714 -0.7570 -0.7570 0.2132 0.2132 0.4584 0.4584 0.8066 0.8066 0.8508 0.8508 1.0550 1.0550 1.0847 1.0847 1.1194 1.1194 1.3078 1.3078 1.3203 1.3203 4.3889 4.3889 5.2059 5.2059 5.2103 5.2103 5.2194 5.2194 5.2639 5.2639 5.2682 5.2682 6.0000 6.0000 6.0663 6.0663 6.1295 6.1295 6.6865 6.6865 k = 0.4146 0.5000 0.4146 ( 5936 PWs) bands (ev): -20.7702 -20.7702 -17.5582 -17.5582 -17.5532 -17.5532 -17.5439 -17.5439 -15.8039 -15.8039 -15.7943 -15.7943 -15.7939 -15.7939 -7.2129 -7.2129 -7.2088 -7.2088 -7.1482 -7.1482 -5.6280 -5.6280 -4.9227 -4.9227 -4.8941 -4.8941 -3.5189 -3.5189 -3.3803 -3.3803 -3.3442 -3.3442 -2.9250 -2.9250 -2.4428 -2.4428 -2.4277 -2.4277 -1.4444 -1.4444 -1.4284 -1.4284 -1.2975 -1.2975 -0.7807 -0.7807 -0.7612 -0.7612 0.2081 0.2081 0.4772 0.4772 0.7840 0.7840 0.8389 0.8389 1.0665 1.0665 1.0985 1.0985 1.1409 1.1409 1.3086 1.3086 1.3253 1.3253 4.3768 4.3768 5.1983 5.1983 5.2042 5.2042 5.2156 5.2156 5.2564 5.2564 5.2618 5.2618 5.9680 5.9680 6.0449 6.0449 6.1286 6.1286 6.6844 6.6844 k = 0.4024 0.5000 0.4024 ( 5952 PWs) bands (ev): -20.7703 -20.7703 -17.5612 -17.5612 -17.5548 -17.5548 -17.5429 -17.5429 -15.8035 -15.8035 -15.7910 -15.7910 -15.7906 -15.7906 -7.2317 -7.2317 -7.2267 -7.2267 -7.1489 -7.1489 -5.6201 -5.6201 -4.9144 -4.9144 -4.8783 -4.8783 -3.5151 -3.5151 -3.3792 -3.3792 -3.3343 -3.3343 -2.9112 -2.9112 -2.4402 -2.4402 -2.4209 -2.4209 -1.4523 -1.4523 -1.4324 -1.4324 -1.3028 -1.3028 -0.7912 -0.7912 -0.7660 -0.7660 0.2023 0.2023 0.4983 0.4983 0.7603 0.7603 0.8264 0.8264 1.0791 1.0791 1.1132 1.1132 1.1633 1.1633 1.3094 1.3094 1.3309 1.3309 4.3629 4.3629 5.1896 5.1896 5.1974 5.1974 5.2104 5.2104 5.2486 5.2486 5.2547 5.2547 5.9320 5.9320 6.0209 6.0209 6.1279 6.1279 6.6809 6.6809 k = 0.3902 0.5000 0.3902 ( 5952 PWs) bands (ev): -20.7705 -20.7705 -17.5646 -17.5646 -17.5566 -17.5566 -17.5416 -17.5416 -15.8030 -15.8030 -15.7873 -15.7873 -15.7869 -15.7869 -7.2523 -7.2523 -7.2461 -7.2461 -7.1497 -7.1497 -5.6118 -5.6118 -4.9052 -4.9052 -4.8615 -4.8615 -3.5124 -3.5124 -3.3762 -3.3762 -3.3228 -3.3228 -2.8959 -2.8959 -2.4370 -2.4370 -2.4131 -2.4131 -1.4609 -1.4609 -1.4372 -1.4372 -1.3079 -1.3079 -0.8027 -0.8027 -0.7713 -0.7713 0.1960 0.1960 0.5214 0.5214 0.7358 0.7358 0.8132 0.8132 1.0927 1.0927 1.1285 1.1285 1.1864 1.1864 1.3104 1.3104 1.3369 1.3369 4.3471 4.3471 5.1799 5.1799 5.1900 5.1900 5.2035 5.2035 5.2407 5.2407 5.2475 5.2475 5.8930 5.8930 5.9946 5.9946 6.1271 6.1271 6.6761 6.6761 k = 0.3780 0.5000 0.3780 ( 5948 PWs) bands (ev): -20.7707 -20.7707 -17.5683 -17.5683 -17.5585 -17.5585 -17.5403 -17.5403 -15.8025 -15.8025 -15.7834 -15.7834 -15.7829 -15.7829 -7.2745 -7.2745 -7.2668 -7.2668 -7.1505 -7.1505 -5.6033 -5.6033 -4.8954 -4.8954 -4.8438 -4.8438 -3.5114 -3.5114 -3.3707 -3.3707 -3.3095 -3.3095 -2.8792 -2.8792 -2.4332 -2.4332 -2.4045 -2.4045 -1.4700 -1.4700 -1.4427 -1.4427 -1.3129 -1.3129 -0.8153 -0.8153 -0.7770 -0.7770 0.1891 0.1891 0.5464 0.5464 0.7103 0.7103 0.7996 0.7996 1.1072 1.1072 1.1443 1.1443 1.2101 1.2101 1.3115 1.3115 1.3433 1.3433 4.3295 4.3295 5.1693 5.1693 5.1819 5.1819 5.1945 5.1945 5.2326 5.2326 5.2406 5.2406 5.8519 5.8519 5.9658 5.9658 6.1259 6.1259 6.6699 6.6699 k = 0.3659 0.5000 0.3659 ( 5940 PWs) bands (ev): -20.7709 -20.7709 -17.5723 -17.5723 -17.5606 -17.5606 -17.5389 -17.5389 -15.8019 -15.8019 -15.7791 -15.7791 -15.7785 -15.7785 -7.2979 -7.2979 -7.2887 -7.2887 -7.1514 -7.1514 -5.5947 -5.5947 -4.8851 -4.8851 -4.8258 -4.8258 -3.5124 -3.5124 -3.3625 -3.3625 -3.2946 -3.2946 -2.8613 -2.8613 -2.4288 -2.4288 -2.3950 -2.3950 -1.4795 -1.4795 -1.4490 -1.4490 -1.3173 -1.3173 -0.8288 -0.8288 -0.7832 -0.7832 0.1817 0.1817 0.5730 0.5730 0.6841 0.6841 0.7854 0.7854 1.1223 1.1223 1.1605 1.1605 1.2342 1.2342 1.3127 1.3127 1.3500 1.3500 4.3101 4.3101 5.1578 5.1578 5.1733 5.1733 5.1835 5.1835 5.2239 5.2239 5.2349 5.2349 5.8093 5.8093 5.9348 5.9348 6.1243 6.1243 6.6623 6.6623 k = 0.3537 0.5000 0.3537 ( 5936 PWs) bands (ev): -20.7711 -20.7711 -17.5765 -17.5765 -17.5628 -17.5628 -17.5373 -17.5373 -15.8013 -15.8013 -15.7745 -15.7745 -15.7739 -15.7739 -7.3225 -7.3225 -7.3114 -7.3114 -7.1524 -7.1524 -5.5861 -5.5861 -4.8744 -4.8744 -4.8075 -4.8075 -3.5153 -3.5153 -3.3512 -3.3512 -3.2779 -3.2779 -2.8424 -2.8424 -2.4235 -2.4235 -2.3847 -2.3847 -1.4893 -1.4893 -1.4560 -1.4560 -1.3213 -1.3213 -0.8430 -0.8430 -0.7897 -0.7897 0.1739 0.1739 0.6010 0.6010 0.6572 0.6572 0.7709 0.7709 1.1380 1.1380 1.1771 1.1771 1.2586 1.2586 1.3140 1.3140 1.3568 1.3568 4.2889 4.2889 5.1453 5.1453 5.1637 5.1637 5.1713 5.1713 5.2144 5.2144 5.2304 5.2304 5.7658 5.7658 5.9016 5.9016 6.1218 6.1218 6.6536 6.6536 k = 0.3415 0.5000 0.3415 ( 5940 PWs) bands (ev): -20.7713 -20.7713 -17.5810 -17.5810 -17.5651 -17.5651 -17.5357 -17.5357 -15.8007 -15.8007 -15.7697 -15.7697 -15.7690 -15.7690 -7.3479 -7.3479 -7.3348 -7.3348 -7.1534 -7.1534 -5.5777 -5.5777 -4.8634 -4.8634 -4.7893 -4.7893 -3.5201 -3.5201 -3.3371 -3.3371 -3.2596 -3.2596 -2.8227 -2.8227 -2.4174 -2.4174 -2.3735 -2.3735 -1.4993 -1.4993 -1.4636 -1.4636 -1.3246 -1.3246 -0.8580 -0.8580 -0.7967 -0.7967 0.1657 0.1657 0.6289 0.6289 0.6309 0.6309 0.7558 0.7558 1.1540 1.1540 1.1938 1.1938 1.2830 1.2830 1.3155 1.3155 1.3638 1.3638 4.2659 4.2659 5.1320 5.1320 5.1514 5.1514 5.1599 5.1599 5.2042 5.2042 5.2267 5.2267 5.7219 5.7219 5.8663 5.8663 6.1184 6.1184 6.6439 6.6439 k = 0.3293 0.5000 0.3293 ( 5944 PWs) bands (ev): -20.7715 -20.7715 -17.5856 -17.5856 -17.5675 -17.5675 -17.5339 -17.5339 -15.8000 -15.8000 -15.7646 -15.7646 -15.7639 -15.7639 -7.3740 -7.3740 -7.3586 -7.3586 -7.1544 -7.1544 -5.5696 -5.5696 -4.8523 -4.8523 -4.7714 -4.7714 -3.5265 -3.5265 -3.3202 -3.3202 -3.2397 -3.2397 -2.8025 -2.8025 -2.4103 -2.4103 -2.3615 -2.3615 -1.5093 -1.5093 -1.4719 -1.4719 -1.3274 -1.3274 -0.8736 -0.8736 -0.8039 -0.8039 0.1571 0.1571 0.6015 0.6015 0.6603 0.6603 0.7404 0.7404 1.1703 1.1703 1.2107 1.2107 1.3064 1.3064 1.3180 1.3180 1.3708 1.3708 4.2412 4.2412 5.1177 5.1177 5.1361 5.1361 5.1503 5.1503 5.1935 5.1935 5.2236 5.2236 5.6781 5.6781 5.8293 5.8293 6.1139 6.1139 6.6334 6.6334 k = 0.3171 0.5000 0.3171 ( 5932 PWs) bands (ev): -20.7718 -20.7718 -17.5905 -17.5905 -17.5699 -17.5699 -17.5321 -17.5321 -15.7993 -15.7993 -15.7594 -15.7594 -15.7587 -15.7587 -7.4006 -7.4006 -7.3827 -7.3827 -7.1555 -7.1555 -5.5618 -5.5618 -4.8413 -4.8413 -4.7541 -4.7541 -3.5342 -3.5342 -3.3007 -3.3007 -3.2182 -3.2182 -2.7821 -2.7821 -2.4019 -2.4019 -2.3486 -2.3486 -1.5193 -1.5193 -1.4806 -1.4806 -1.3295 -1.3295 -0.8896 -0.8896 -0.8115 -0.8115 0.1482 0.1482 0.5730 0.5730 0.6909 0.6909 0.7247 0.7247 1.1866 1.1866 1.2276 1.2276 1.3165 1.3165 1.3337 1.3337 1.3779 1.3779 4.2149 4.2149 5.1027 5.1027 5.1189 5.1189 5.1416 5.1416 5.1824 5.1824 5.2209 5.2209 5.6350 5.6350 5.7908 5.7908 6.1080 6.1080 6.6224 6.6224 k = 0.3049 0.5000 0.3049 ( 5932 PWs) bands (ev): -20.7721 -20.7721 -17.5955 -17.5955 -17.5724 -17.5724 -17.5302 -17.5302 -15.7985 -15.7985 -15.7540 -15.7540 -15.7533 -15.7533 -7.4275 -7.4275 -7.4069 -7.4069 -7.1567 -7.1567 -5.5544 -5.5544 -4.8305 -4.8305 -4.7374 -4.7374 -3.5429 -3.5429 -3.2790 -3.2790 -3.1953 -3.1953 -2.7617 -2.7617 -2.3924 -2.3924 -2.3348 -2.3348 -1.5290 -1.5290 -1.4897 -1.4897 -1.3310 -1.3310 -0.9059 -0.9059 -0.8193 -0.8193 0.1390 0.1390 0.5440 0.5440 0.7068 0.7068 0.7240 0.7240 1.2029 1.2029 1.2444 1.2444 1.3185 1.3185 1.3567 1.3567 1.3853 1.3853 4.1871 4.1871 5.0868 5.0868 5.1007 5.1007 5.1333 5.1333 5.1711 5.1711 5.2183 5.2183 5.5928 5.5928 5.7510 5.7510 6.1007 6.1007 6.6113 6.6113 k = 0.2927 0.5000 0.2927 ( 5940 PWs) bands (ev): -20.7723 -20.7723 -17.6006 -17.6006 -17.5749 -17.5749 -17.5283 -17.5283 -15.7978 -15.7978 -15.7485 -15.7485 -15.7478 -15.7478 -7.4546 -7.4546 -7.4310 -7.4310 -7.1578 -7.1578 -5.5474 -5.5474 -4.8200 -4.8200 -4.7215 -4.7215 -3.5523 -3.5523 -3.2551 -3.2551 -3.1713 -3.1713 -2.7417 -2.7417 -2.3814 -2.3814 -2.3201 -2.3201 -1.5383 -1.5383 -1.4990 -1.4990 -1.3320 -1.3320 -0.9225 -0.9225 -0.8275 -0.8275 0.1296 0.1296 0.5147 0.5147 0.6908 0.6908 0.7552 0.7552 1.2191 1.2191 1.2610 1.2610 1.3202 1.3202 1.3775 1.3775 1.3948 1.3948 4.1578 4.1578 5.0701 5.0701 5.0817 5.0817 5.1256 5.1256 5.1594 5.1594 5.2159 5.2159 5.5520 5.5520 5.7101 5.7101 6.0917 6.0917 6.6003 6.6003 k = 0.2805 0.5000 0.2805 ( 5942 PWs) bands (ev): -20.7726 -20.7726 -17.6058 -17.6058 -17.5774 -17.5774 -17.5263 -17.5263 -15.7970 -15.7970 -15.7429 -15.7429 -15.7422 -15.7422 -7.4816 -7.4816 -7.4548 -7.4548 -7.1590 -7.1590 -5.5410 -5.5410 -4.8100 -4.8100 -4.7065 -4.7065 -3.5623 -3.5623 -3.2293 -3.2293 -3.1461 -3.1461 -2.7224 -2.7224 -2.3691 -2.3691 -2.3042 -2.3042 -1.5473 -1.5473 -1.5084 -1.5084 -1.3325 -1.3325 -0.9391 -0.9391 -0.8359 -0.8359 0.1200 0.1200 0.4853 0.4853 0.6736 0.6736 0.7873 0.7873 1.2350 1.2350 1.2772 1.2772 1.3218 1.3218 1.3908 1.3908 1.4112 1.4112 4.1271 4.1271 5.0527 5.0527 5.0621 5.0621 5.1184 5.1184 5.1476 5.1476 5.2134 5.2134 5.5131 5.5131 5.6685 5.6685 6.0811 6.0811 6.5896 6.5896 k = 0.2683 0.5000 0.2683 ( 5950 PWs) bands (ev): -20.7729 -20.7729 -17.6110 -17.6110 -17.5799 -17.5799 -17.5243 -17.5243 -15.7962 -15.7962 -15.7373 -15.7373 -15.7366 -15.7366 -7.5084 -7.5084 -7.4783 -7.4783 -7.1602 -7.1602 -5.5351 -5.5351 -4.8006 -4.8006 -4.6923 -4.6923 -3.5726 -3.5726 -3.2017 -3.2017 -3.1200 -3.1200 -2.7041 -2.7041 -2.3554 -2.3554 -2.2872 -2.2872 -1.5558 -1.5558 -1.5179 -1.5179 -1.3327 -1.3327 -0.9556 -0.9556 -0.8445 -0.8445 0.1102 0.1102 0.4557 0.4557 0.6560 0.6560 0.8194 0.8194 1.2507 1.2507 1.2927 1.2927 1.3235 1.3235 1.3985 1.3985 1.4325 1.4325 4.0953 4.0953 5.0345 5.0345 5.0421 5.0421 5.1118 5.1118 5.1355 5.1355 5.2107 5.2107 5.4763 5.4763 5.6264 5.6264 6.0689 6.0689 6.5795 6.5795 k = 0.2561 0.5000 0.2561 ( 5946 PWs) bands (ev): -20.7732 -20.7732 -17.6162 -17.6162 -17.5824 -17.5824 -17.5223 -17.5223 -15.7954 -15.7954 -15.7316 -15.7316 -15.7310 -15.7310 -7.5349 -7.5349 -7.5012 -7.5012 -7.1614 -7.1614 -5.5298 -5.5298 -4.7919 -4.7919 -4.6791 -4.6791 -3.5832 -3.5832 -3.1725 -3.1725 -3.0933 -3.0933 -2.6871 -2.6871 -2.3405 -2.3405 -2.2689 -2.2689 -1.5637 -1.5637 -1.5272 -1.5272 -1.3327 -1.3327 -0.9718 -0.9718 -0.8533 -0.8533 0.1002 0.1002 0.4262 0.4262 0.6379 0.6379 0.8515 0.8515 1.2660 1.2660 1.3069 1.3069 1.3257 1.3257 1.4049 1.4049 1.4544 1.4544 4.0624 4.0624 5.0157 5.0157 5.0218 5.0218 5.1058 5.1058 5.1233 5.1233 5.2076 5.2076 5.4422 5.4422 5.5842 5.5842 6.0550 6.0550 6.5701 6.5701 k = 0.2439 0.5000 0.2439 ( 5950 PWs) bands (ev): -20.7735 -20.7735 -17.6215 -17.6215 -17.5849 -17.5849 -17.5202 -17.5202 -15.7946 -15.7946 -15.7260 -15.7260 -15.7255 -15.7255 -7.5610 -7.5610 -7.5236 -7.5236 -7.1626 -7.1626 -5.5250 -5.5250 -4.7840 -4.7840 -4.6666 -4.6666 -3.5939 -3.5939 -3.1419 -3.1419 -3.0660 -3.0660 -2.6715 -2.6715 -2.3246 -2.3246 -2.2490 -2.2490 -1.5710 -1.5710 -1.5364 -1.5364 -1.3326 -1.3326 -0.9875 -0.9875 -0.8622 -0.8622 0.0901 0.0901 0.3969 0.3969 0.6195 0.6195 0.8833 0.8833 1.2808 1.2808 1.3181 1.3181 1.3299 1.3299 1.4111 1.4111 1.4759 1.4759 4.0287 4.0287 4.9962 4.9962 5.0016 5.0016 5.1005 5.1005 5.1110 5.1110 5.2038 5.2038 5.4110 5.4110 5.5421 5.5421 6.0395 6.0395 6.5615 6.5615 k = 0.2317 0.5000 0.2317 ( 5946 PWs) bands (ev): -20.7738 -20.7738 -17.6266 -17.6266 -17.5873 -17.5873 -17.5182 -17.5182 -15.7938 -15.7938 -15.7204 -15.7204 -15.7200 -15.7200 -7.5864 -7.5864 -7.5453 -7.5453 -7.1638 -7.1638 -5.5208 -5.5208 -4.7769 -4.7769 -4.6550 -4.6550 -3.6046 -3.6046 -3.1101 -3.1101 -3.0385 -3.0385 -2.6573 -2.6573 -2.3081 -2.3081 -2.2274 -2.2274 -1.5777 -1.5777 -1.5453 -1.5453 -1.3324 -1.3324 -1.0025 -1.0025 -0.8713 -0.8713 0.0799 0.0799 0.3679 0.3679 0.6007 0.6007 0.9146 0.9146 1.2951 1.2951 1.3235 1.3235 1.3384 1.3384 1.4175 1.4175 1.4966 1.4966 3.9944 3.9944 4.9762 4.9762 4.9814 4.9814 5.0957 5.0957 5.0987 5.0987 5.1991 5.1991 5.3834 5.3834 5.5005 5.5005 6.0226 6.0226 6.5539 6.5539 k = 0.2195 0.5000 0.2195 ( 5962 PWs) bands (ev): -20.7741 -20.7741 -17.6317 -17.6317 -17.5897 -17.5897 -17.5161 -17.5161 -15.7930 -15.7930 -15.7149 -15.7149 -15.7146 -15.7146 -7.6112 -7.6112 -7.5662 -7.5662 -7.1649 -7.1649 -5.5172 -5.5172 -4.7708 -4.7708 -4.6441 -4.6441 -3.6152 -3.6152 -3.0774 -3.0774 -3.0108 -3.0108 -2.6448 -2.6448 -2.2913 -2.2913 -2.2041 -2.2041 -1.5837 -1.5837 -1.5539 -1.5539 -1.3324 -1.3324 -1.0167 -1.0167 -0.8805 -0.8805 0.0696 0.0696 0.3394 0.3394 0.5815 0.5815 0.9453 0.9453 1.3086 1.3086 1.3261 1.3261 1.3480 1.3480 1.4247 1.4247 1.5165 1.5165 3.9598 3.9598 4.9556 4.9556 4.9616 4.9616 5.0852 5.0852 5.0926 5.0926 5.1931 5.1931 5.3595 5.3595 5.4596 5.4596 6.0045 6.0045 6.5473 6.5473 k = 0.2073 0.5000 0.2073 ( 5958 PWs) bands (ev): -20.7744 -20.7744 -17.6367 -17.6367 -17.5920 -17.5920 -17.5141 -17.5141 -15.7922 -15.7922 -15.7095 -15.7095 -15.7094 -15.7094 -7.6352 -7.6352 -7.5862 -7.5862 -7.1661 -7.1661 -5.5141 -5.5141 -4.7655 -4.7655 -4.6338 -4.6338 -3.6257 -3.6257 -3.0441 -3.0441 -2.9833 -2.9833 -2.6337 -2.6337 -2.2744 -2.2744 -2.1791 -2.1791 -1.5891 -1.5891 -1.5620 -1.5620 -1.3328 -1.3328 -1.0296 -1.0296 -0.8898 -0.8898 0.0591 0.0591 0.3115 0.3115 0.5621 0.5621 0.9751 0.9751 1.3200 1.3200 1.3293 1.3293 1.3561 1.3561 1.4330 1.4330 1.5355 1.5355 3.9250 3.9250 4.9345 4.9345 4.9422 4.9422 5.0722 5.0722 5.0894 5.0894 5.1855 5.1855 5.3399 5.3399 5.4199 5.4199 5.9854 5.9854 6.5416 6.5416 k = 0.1951 0.5000 0.1951 ( 5956 PWs) bands (ev): -20.7747 -20.7747 -17.6416 -17.6416 -17.5942 -17.5942 -17.5122 -17.5122 -15.7914 -15.7914 -15.7043 -15.7043 -15.7043 -15.7043 -7.6583 -7.6583 -7.6053 -7.6053 -7.1672 -7.1672 -5.5116 -5.5116 -4.7611 -4.7611 -4.6242 -4.6242 -3.6359 -3.6359 -3.0105 -3.0105 -2.9560 -2.9560 -2.6239 -2.6239 -2.2578 -2.2578 -2.1527 -2.1527 -1.5940 -1.5940 -1.5696 -1.5696 -1.3336 -1.3336 -1.0413 -1.0413 -0.8989 -0.8989 0.0485 0.0485 0.2844 0.2844 0.5425 0.5425 1.0040 1.0040 1.3249 1.3249 1.3380 1.3380 1.3624 1.3624 1.4424 1.4424 1.5534 1.5534 3.8904 3.8904 4.9131 4.9131 4.9234 4.9234 5.0588 5.0588 5.0871 5.0871 5.1765 5.1765 5.3245 5.3245 5.3815 5.3815 5.9655 5.9655 6.5367 6.5367 k = 0.1829 0.5000 0.1829 ( 5948 PWs) bands (ev): -20.7750 -20.7750 -17.6463 -17.6463 -17.5963 -17.5963 -17.5103 -17.5103 -15.7906 -15.7906 -15.6994 -15.6994 -15.6992 -15.6992 -7.6804 -7.6804 -7.6234 -7.6234 -7.1682 -7.1682 -5.5095 -5.5095 -4.7576 -4.7576 -4.6151 -4.6151 -3.6459 -3.6459 -2.9768 -2.9768 -2.9292 -2.9292 -2.6154 -2.6154 -2.2415 -2.2415 -2.1252 -2.1252 -1.5984 -1.5984 -1.5764 -1.5764 -1.3351 -1.3351 -1.0514 -1.0514 -0.9080 -0.9080 0.0377 0.0377 0.2584 0.2584 0.5228 0.5228 1.0317 1.0317 1.3260 1.3260 1.3493 1.3493 1.3669 1.3669 1.4528 1.4528 1.5702 1.5702 3.8562 3.8562 4.8913 4.8913 4.9055 4.9055 5.0450 5.0450 5.0854 5.0854 5.1662 5.1662 5.3128 5.3128 5.3451 5.3451 5.9453 5.9453 6.5326 6.5326 k = 0.1707 0.5000 0.1707 ( 5944 PWs) bands (ev): -20.7753 -20.7753 -17.6509 -17.6509 -17.5983 -17.5983 -17.5084 -17.5084 -15.7899 -15.7899 -15.6947 -15.6947 -15.6943 -15.6943 -7.7014 -7.7014 -7.6405 -7.6405 -7.1693 -7.1693 -5.5079 -5.5079 -4.7548 -4.7548 -4.6065 -4.6065 -3.6555 -3.6555 -2.9434 -2.9434 -2.9031 -2.9031 -2.6080 -2.6080 -2.2256 -2.2256 -2.0971 -2.0971 -1.6027 -1.6027 -1.5821 -1.5821 -1.3374 -1.3374 -1.0600 -1.0600 -0.9167 -0.9167 0.0268 0.0268 0.2335 0.2335 0.5031 0.5031 1.0582 1.0582 1.3261 1.3261 1.3603 1.3603 1.3702 1.3702 1.4639 1.4639 1.5858 1.5858 3.8227 3.8227 4.8694 4.8694 4.8883 4.8883 5.0310 5.0310 5.0844 5.0844 5.1551 5.1551 5.3018 5.3018 5.3133 5.3133 5.9248 5.9248 6.5293 6.5293 k = 0.1585 0.5000 0.1585 ( 5946 PWs) bands (ev): -20.7756 -20.7756 -17.6552 -17.6552 -17.6002 -17.6002 -17.5066 -17.5066 -15.7892 -15.7892 -15.6902 -15.6902 -15.6896 -15.6896 -7.7213 -7.7213 -7.6565 -7.6565 -7.1703 -7.1703 -5.5068 -5.5068 -4.7528 -4.7528 -4.5984 -4.5984 -3.6646 -3.6646 -2.9105 -2.9105 -2.8778 -2.8778 -2.6016 -2.6016 -2.2102 -2.2102 -2.0688 -2.0688 -1.6072 -1.6072 -1.5864 -1.5864 -1.3405 -1.3405 -1.0671 -1.0671 -0.9251 -0.9251 0.0156 0.0156 0.2100 0.2100 0.4835 0.4835 1.0832 1.0832 1.3254 1.3254 1.3687 1.3687 1.3747 1.3747 1.4753 1.4753 1.6003 1.6003 3.7902 3.7902 4.8475 4.8475 4.8722 4.8722 5.0169 5.0169 5.0838 5.0838 5.1439 5.1439 5.2749 5.2749 5.3021 5.3021 5.9044 5.9044 6.5266 6.5266 k = 0.1463 0.5000 0.1463 ( 5946 PWs) bands (ev): -20.7758 -20.7758 -17.6593 -17.6593 -17.6019 -17.6019 -17.5049 -17.5049 -15.7885 -15.7885 -15.6859 -15.6859 -15.6852 -15.6852 -7.7400 -7.7400 -7.6715 -7.6715 -7.1712 -7.1712 -5.5060 -5.5060 -4.7513 -4.7513 -4.5908 -4.5908 -3.6734 -3.6734 -2.8786 -2.8786 -2.8536 -2.8536 -2.5960 -2.5960 -2.1952 -2.1952 -2.0410 -2.0410 -1.6120 -1.6120 -1.5890 -1.5890 -1.3443 -1.3443 -1.0727 -1.0727 -0.9328 -0.9328 0.0042 0.0042 0.1881 0.1881 0.4642 0.4642 1.1067 1.1067 1.3241 1.3241 1.3718 1.3718 1.3833 1.3833 1.4867 1.4867 1.6136 1.6136 3.7590 3.7590 4.8258 4.8258 4.8571 4.8571 5.0027 5.0027 5.0837 5.0837 5.1329 5.1329 5.2448 5.2448 5.2985 5.2985 5.8844 5.8844 6.5244 6.5244 k = 0.1341 0.5000 0.1341 ( 5942 PWs) bands (ev): -20.7761 -20.7761 -17.6631 -17.6631 -17.6036 -17.6036 -17.5033 -17.5033 -15.7879 -15.7879 -15.6820 -15.6820 -15.6811 -15.6811 -7.7574 -7.7574 -7.6853 -7.6853 -7.1721 -7.1721 -5.5056 -5.5056 -4.7504 -4.7504 -4.5838 -4.5838 -3.6816 -3.6816 -2.8479 -2.8479 -2.8305 -2.8305 -2.5912 -2.5912 -2.1809 -2.1809 -2.0140 -2.0140 -1.6171 -1.6171 -1.5900 -1.5900 -1.3489 -1.3489 -1.0772 -1.0772 -0.9396 -0.9396 -0.0075 -0.0075 0.1680 0.1680 0.4452 0.4452 1.1284 1.1284 1.3221 1.3221 1.3734 1.3734 1.3926 1.3926 1.4978 1.4978 1.6258 1.6258 3.7292 3.7292 4.8044 4.8044 4.8432 4.8432 4.9886 4.9886 5.0840 5.0840 5.1227 5.1227 5.2167 5.2167 5.2969 5.2969 5.8650 5.8650 6.5227 6.5227 k = 0.1220 0.5000 0.1220 ( 5948 PWs) bands (ev): -20.7763 -20.7763 -17.6667 -17.6667 -17.6051 -17.6051 -17.5019 -17.5019 -15.7873 -15.7873 -15.6783 -15.6783 -15.6772 -15.6772 -7.7734 -7.7734 -7.6979 -7.6979 -7.1729 -7.1729 -5.5054 -5.5054 -4.7498 -4.7498 -4.5773 -4.5773 -3.6892 -3.6892 -2.8191 -2.8191 -2.8084 -2.8084 -2.5871 -2.5871 -2.1671 -2.1671 -1.9885 -1.9885 -1.6222 -1.6222 -1.5894 -1.5894 -1.3541 -1.3541 -1.0810 -1.0810 -0.9452 -0.9452 -0.0194 -0.0194 0.1498 0.1498 0.4269 0.4269 1.1484 1.1484 1.3194 1.3194 1.3749 1.3749 1.4013 1.4013 1.5084 1.5084 1.6368 1.6368 3.7013 3.7013 4.7838 4.7838 4.8304 4.8304 4.9748 4.9748 5.0844 5.0844 5.1133 5.1133 5.1911 5.1911 5.2965 5.2965 5.8463 5.8463 6.5213 6.5213 k = 0.1098 0.5000 0.1098 ( 5944 PWs) bands (ev): -20.7765 -20.7765 -17.6700 -17.6700 -17.6065 -17.6065 -17.5005 -17.5005 -15.7868 -15.7868 -15.6750 -15.6750 -15.6737 -15.6737 -7.7881 -7.7881 -7.7094 -7.7094 -7.1736 -7.1736 -5.5055 -5.5055 -4.7496 -4.7496 -4.5713 -4.5713 -3.6963 -3.6963 -2.7933 -2.7933 -2.7866 -2.7866 -2.5835 -2.5835 -2.1540 -2.1540 -1.9649 -1.9649 -1.6272 -1.6272 -1.5876 -1.5876 -1.3595 -1.3595 -1.0844 -1.0844 -0.9494 -0.9494 -0.0313 -0.0313 0.1336 0.1336 0.4093 0.4093 1.1664 1.1664 1.3162 1.3162 1.3765 1.3765 1.4093 1.4093 1.5184 1.5184 1.6467 1.6467 3.6753 3.6753 4.7640 4.7640 4.8188 4.8188 4.9617 4.9617 5.0848 5.0848 5.1049 5.1049 5.1681 5.1681 5.2969 5.2969 5.8288 5.8288 6.5203 6.5203 k = 0.0976 0.5000 0.0976 ( 5948 PWs) bands (ev): -20.7767 -20.7767 -17.6730 -17.6730 -17.6077 -17.6077 -17.4992 -17.4992 -15.7863 -15.7863 -15.6719 -15.6719 -15.6705 -15.6705 -7.8014 -7.8014 -7.7197 -7.7197 -7.1743 -7.1743 -5.5057 -5.5057 -4.7496 -4.7496 -4.5658 -4.5658 -3.7027 -3.7027 -2.7727 -2.7727 -2.7634 -2.7634 -2.5804 -2.5804 -2.1417 -2.1417 -1.9437 -1.9437 -1.6318 -1.6318 -1.5847 -1.5847 -1.3650 -1.3650 -1.0880 -1.0880 -0.9521 -0.9521 -0.0432 -0.0432 0.1194 0.1194 0.3928 0.3928 1.1825 1.1825 1.3126 1.3126 1.3784 1.3784 1.4166 1.4166 1.5277 1.5277 1.6554 1.6554 3.6515 3.6515 4.7454 4.7454 4.8084 4.8084 4.9493 4.9493 5.0849 5.0849 5.0977 5.0977 5.1480 5.1480 5.2979 5.2979 5.8125 5.8125 6.5195 6.5195 k = 0.0854 0.5000 0.0854 ( 5948 PWs) bands (ev): -20.7769 -20.7769 -17.6756 -17.6756 -17.6088 -17.6088 -17.4981 -17.4981 -15.7858 -15.7858 -15.6692 -15.6692 -15.6676 -15.6676 -7.8131 -7.8131 -7.7289 -7.7289 -7.1749 -7.1749 -5.5061 -5.5061 -4.7498 -4.7498 -4.5610 -4.5610 -3.7084 -3.7084 -2.7556 -2.7556 -2.7408 -2.7408 -2.5777 -2.5777 -2.1303 -2.1303 -1.9251 -1.9251 -1.6360 -1.6360 -1.5809 -1.5809 -1.3703 -1.3703 -1.0919 -1.0919 -0.9531 -0.9531 -0.0547 -0.0547 0.1072 0.1072 0.3775 0.3775 1.1967 1.1967 1.3088 1.3088 1.3804 1.3804 1.4231 1.4231 1.5361 1.5361 1.6630 1.6630 3.6301 3.6301 4.7282 4.7282 4.7993 4.7993 4.9379 4.9379 5.0837 5.0837 5.0921 5.0921 5.1311 5.1311 5.2991 5.2991 5.7977 5.7977 6.5190 6.5190 k = 0.0732 0.5000 0.0732 ( 5950 PWs) bands (ev): -20.7771 -20.7771 -17.6780 -17.6780 -17.6098 -17.6098 -17.4971 -17.4971 -15.7854 -15.7854 -15.6668 -15.6668 -15.6650 -15.6650 -7.8234 -7.8234 -7.7368 -7.7368 -7.1755 -7.1755 -5.5065 -5.5065 -4.7501 -4.7501 -4.5567 -4.5567 -3.7135 -3.7135 -2.7408 -2.7408 -2.7204 -2.7204 -2.5755 -2.5755 -2.1199 -2.1199 -1.9093 -1.9093 -1.6396 -1.6396 -1.5764 -1.5764 -1.3752 -1.3752 -1.0962 -1.0962 -0.9527 -0.9527 -0.0656 -0.0656 0.0969 0.0969 0.3637 0.3637 1.2089 1.2089 1.3048 1.3048 1.3826 1.3826 1.4288 1.4288 1.5435 1.5435 1.6696 1.6696 3.6112 3.6112 4.7128 4.7128 4.7915 4.7915 4.9276 4.9276 5.0800 5.0800 5.0888 5.0888 5.1179 5.1179 5.3006 5.3006 5.7844 5.7844 6.5186 6.5186 k = 0.0610 0.5000 0.0610 ( 5934 PWs) bands (ev): -20.7772 -20.7772 -17.6800 -17.6800 -17.6106 -17.6106 -17.4962 -17.4962 -15.7851 -15.7851 -15.6648 -15.6648 -15.6629 -15.6629 -7.8322 -7.8322 -7.7435 -7.7435 -7.1759 -7.1759 -5.5070 -5.5070 -4.7505 -4.7505 -4.5531 -4.5531 -3.7178 -3.7178 -2.7282 -2.7282 -2.7027 -2.7027 -2.5736 -2.5736 -2.1107 -2.1107 -1.8965 -1.8965 -1.6426 -1.6426 -1.5716 -1.5716 -1.3795 -1.3795 -1.1008 -1.1008 -0.9512 -0.9512 -0.0756 -0.0756 0.0885 0.0885 0.3515 0.3515 1.2192 1.2192 1.3010 1.3010 1.3848 1.3848 1.4337 1.4337 1.5500 1.5500 1.6751 1.6751 3.5950 3.5950 4.6993 4.6993 4.7848 4.7848 4.9187 4.9187 5.0747 5.0747 5.0862 5.0862 5.1090 5.1090 5.3020 5.3020 5.7730 5.7730 6.5183 6.5183 k = 0.0488 0.5000 0.0488 ( 5938 PWs) bands (ev): -20.7773 -20.7773 -17.6816 -17.6816 -17.6113 -17.6113 -17.4955 -17.4955 -15.7848 -15.7848 -15.6631 -15.6631 -15.6611 -15.6611 -7.8394 -7.8394 -7.7490 -7.7490 -7.1763 -7.1763 -5.5074 -5.5074 -4.7508 -4.7508 -4.5501 -4.5501 -3.7214 -3.7214 -2.7178 -2.7178 -2.6879 -2.6879 -2.5721 -2.5721 -2.1028 -2.1028 -1.8865 -1.8865 -1.6450 -1.6450 -1.5669 -1.5669 -1.3831 -1.3831 -1.1053 -1.1053 -0.9491 -0.9491 -0.0843 -0.0843 0.0817 0.0817 0.3412 0.3412 1.2276 1.2276 1.2975 1.2975 1.3868 1.3868 1.4376 1.4376 1.5553 1.5553 1.6795 1.6795 3.5815 3.5815 4.6879 4.6879 4.7794 4.7794 4.9112 4.9112 5.0689 5.0689 5.0831 5.0831 5.1043 5.1043 5.3034 5.3034 5.7634 5.7634 6.5181 6.5181 k = 0.0366 0.5000 0.0366 ( 5922 PWs) bands (ev): -20.7774 -20.7774 -17.6829 -17.6829 -17.6118 -17.6118 -17.4950 -17.4950 -15.7846 -15.7846 -15.6618 -15.6618 -15.6597 -15.6597 -7.8450 -7.8450 -7.7532 -7.7532 -7.1766 -7.1766 -5.5078 -5.5078 -4.7511 -4.7511 -4.5477 -4.5477 -3.7242 -3.7242 -2.7096 -2.7096 -2.6763 -2.6763 -2.5710 -2.5710 -2.0964 -2.0964 -1.8790 -1.8790 -1.6468 -1.6468 -1.5627 -1.5627 -1.3859 -1.3859 -1.1094 -1.1094 -0.9468 -0.9468 -0.0915 -0.0915 0.0766 0.0766 0.3331 0.3331 1.2343 1.2343 1.2944 1.2944 1.3885 1.3885 1.4407 1.4407 1.5595 1.5595 1.6830 1.6830 3.5710 3.5710 4.6789 4.6789 4.7752 4.7752 4.9052 4.9052 5.0636 5.0636 5.0799 5.0799 5.1024 5.1024 5.3046 5.3046 5.7558 5.7558 6.5180 6.5180 k = 0.0244 0.5000 0.0244 ( 5926 PWs) bands (ev): -20.7775 -20.7775 -17.6839 -17.6839 -17.6122 -17.6122 -17.4946 -17.4946 -15.7844 -15.7844 -15.6609 -15.6609 -15.6587 -15.6587 -7.8490 -7.8490 -7.7563 -7.7563 -7.1768 -7.1768 -5.5081 -5.5081 -4.7513 -4.7513 -4.5460 -4.5460 -3.7262 -3.7262 -2.7037 -2.7037 -2.6679 -2.6679 -2.5701 -2.5701 -2.0918 -2.0918 -1.8740 -1.8740 -1.6481 -1.6481 -1.5594 -1.5594 -1.3878 -1.3878 -1.1127 -1.1127 -0.9449 -0.9449 -0.0968 -0.0968 0.0729 0.0729 0.3271 0.3271 1.2391 1.2391 1.2920 1.2920 1.3899 1.3899 1.4430 1.4430 1.5626 1.5626 1.6854 1.6854 3.5634 3.5634 4.6723 4.6723 4.7722 4.7722 4.9009 4.9009 5.0592 5.0592 5.0776 5.0776 5.1017 5.1017 5.3055 5.3055 5.7503 5.7503 6.5179 6.5179 k = 0.0122 0.5000 0.0122 ( 5926 PWs) bands (ev): -20.7775 -20.7775 -17.6844 -17.6844 -17.6124 -17.6124 -17.4943 -17.4943 -15.7843 -15.7843 -15.6603 -15.6603 -15.6581 -15.6581 -7.8514 -7.8514 -7.7581 -7.7581 -7.1769 -7.1769 -5.5083 -5.5083 -4.7515 -4.7515 -4.5450 -4.5450 -3.7274 -3.7274 -2.7002 -2.7002 -2.6628 -2.6628 -2.5696 -2.5696 -2.0889 -2.0889 -1.8711 -1.8711 -1.6488 -1.6488 -1.5573 -1.5573 -1.3889 -1.3889 -1.1148 -1.1148 -0.9435 -0.9435 -0.1001 -0.1001 0.0708 0.0708 0.3235 0.3235 1.2421 1.2421 1.2904 1.2904 1.3907 1.3907 1.4443 1.4443 1.5644 1.5644 1.6869 1.6869 3.5589 3.5589 4.6683 4.6683 4.7705 4.7705 4.8983 4.8983 5.0565 5.0565 5.0761 5.0761 5.1015 5.1015 5.3060 5.3060 5.7470 5.7470 6.5178 6.5178 k = 0.0000 0.5000-0.0000 ( 5942 PWs) bands (ev): -20.7775 -20.7775 -17.6846 -17.6846 -17.6125 -17.6125 -17.4943 -17.4943 -15.7843 -15.7843 -15.6601 -15.6601 -15.6579 -15.6579 -7.8522 -7.8522 -7.7587 -7.7587 -7.1770 -7.1770 -5.5084 -5.5084 -4.7515 -4.7515 -4.5447 -4.5447 -3.7279 -3.7279 -2.6990 -2.6990 -2.6611 -2.6611 -2.5695 -2.5695 -2.0880 -2.0880 -1.8701 -1.8701 -1.6491 -1.6491 -1.5566 -1.5566 -1.3893 -1.3893 -1.1156 -1.1156 -0.9431 -0.9431 -0.1012 -0.1012 0.0701 0.0701 0.3222 0.3222 1.2431 1.2431 1.2899 1.2899 1.3910 1.3910 1.4447 1.4447 1.5650 1.5650 1.6874 1.6874 3.5574 3.5574 4.6669 4.6669 4.7699 4.7699 4.8974 4.8974 5.0555 5.0555 5.0756 5.0756 5.1014 5.1014 5.3062 5.3062 5.7459 5.7459 6.5178 6.5178 k = 0.5000 0.5000-0.0000 ( 5912 PWs) bands (ev): -20.7731 -20.7731 -17.6166 -17.6166 -17.5557 -17.5557 -17.5541 -17.5541 -15.7950 -15.7950 -15.7929 -15.7929 -15.6588 -15.6588 -7.8475 -7.8475 -7.1726 -7.1726 -7.1559 -7.1559 -5.5251 -5.5251 -4.8135 -4.8135 -4.6027 -4.6027 -3.7981 -3.7981 -3.3923 -3.3923 -2.7558 -2.7558 -2.6829 -2.6829 -2.4560 -2.4560 -1.8765 -1.8765 -1.6466 -1.6466 -1.5143 -1.5143 -1.3410 -1.3410 -1.2193 -1.2193 -0.8322 -0.8322 0.1176 0.1176 0.1637 0.1637 0.8409 0.8409 1.0109 1.0109 1.0732 1.0732 1.1525 1.1525 1.4526 1.4526 1.5248 1.5248 1.5764 1.5764 4.1078 4.1078 4.8786 4.8786 4.9016 4.9016 5.0451 5.0451 5.0940 5.0940 5.1858 5.1858 5.3698 5.3698 5.8001 5.8001 6.0501 6.0501 6.7218 6.7218 k = 0.5000 0.5000 0.0172 ( 5936 PWs) bands (ev): -20.7731 -20.7731 -17.6164 -17.6164 -17.5557 -17.5557 -17.5541 -17.5541 -15.7951 -15.7951 -15.7930 -15.7930 -15.6592 -15.6592 -7.8458 -7.8458 -7.1725 -7.1725 -7.1559 -7.1559 -5.5253 -5.5253 -4.8140 -4.8140 -4.6034 -4.6034 -3.7969 -3.7969 -3.3924 -3.3924 -2.7561 -2.7561 -2.6855 -2.6855 -2.4559 -2.4559 -1.8795 -1.8795 -1.6493 -1.6493 -1.5130 -1.5130 -1.3376 -1.3376 -1.2181 -1.2181 -0.8319 -0.8319 0.1179 0.1179 0.1658 0.1658 0.8409 0.8409 1.0073 1.0073 1.0731 1.0731 1.1548 1.1548 1.4516 1.4516 1.5241 1.5241 1.5750 1.5750 4.1087 4.1087 4.8810 4.8810 4.9026 4.9026 5.0458 5.0458 5.0946 5.0946 5.1859 5.1859 5.3706 5.3706 5.8006 5.8006 6.0503 6.0503 6.7217 6.7217 k = 0.5000 0.5000 0.0345 ( 5960 PWs) bands (ev): -20.7731 -20.7731 -17.6158 -17.6158 -17.5556 -17.5556 -17.5540 -17.5540 -15.7951 -15.7951 -15.7931 -15.7931 -15.6605 -15.6605 -7.8409 -7.8409 -7.1723 -7.1723 -7.1558 -7.1558 -5.5262 -5.5262 -4.8154 -4.8154 -4.6056 -4.6056 -3.7933 -3.7933 -3.3927 -3.3927 -2.7571 -2.7571 -2.6930 -2.6930 -2.4559 -2.4559 -1.8887 -1.8887 -1.6560 -1.6560 -1.5097 -1.5097 -1.3285 -1.3285 -1.2142 -1.2142 -0.8311 -0.8311 0.1187 0.1187 0.1718 0.1718 0.8411 0.8411 0.9972 0.9972 1.0728 1.0728 1.1612 1.1612 1.4488 1.4488 1.5221 1.5221 1.5709 1.5709 4.1113 4.1113 4.8882 4.8882 4.9056 4.9056 5.0479 5.0479 5.0963 5.0963 5.1861 5.1861 5.3729 5.3729 5.8022 5.8022 6.0511 6.0511 6.7215 6.7215 k = 0.5000 0.5000 0.0517 ( 5948 PWs) bands (ev): -20.7730 -20.7730 -17.6149 -17.6149 -17.5555 -17.5555 -17.5539 -17.5539 -15.7953 -15.7953 -15.7933 -15.7933 -15.6626 -15.6626 -7.8328 -7.8328 -7.1719 -7.1719 -7.1556 -7.1556 -5.5275 -5.5275 -4.8178 -4.8178 -4.6091 -4.6091 -3.7875 -3.7875 -3.3932 -3.3932 -2.7587 -2.7587 -2.7054 -2.7054 -2.4558 -2.4558 -1.9042 -1.9042 -1.6635 -1.6635 -1.5055 -1.5055 -1.3163 -1.3163 -1.2065 -1.2065 -0.8298 -0.8298 0.1200 0.1200 0.1819 0.1819 0.8414 0.8414 0.9821 0.9821 1.0723 1.0723 1.1703 1.1703 1.4441 1.4441 1.5187 1.5187 1.5641 1.5641 4.1157 4.1157 4.9000 4.9000 4.9106 4.9106 5.0514 5.0514 5.0992 5.0992 5.1865 5.1865 5.3769 5.3769 5.8049 5.8049 6.0524 6.0524 6.7212 6.7212 k = 0.5000 0.5000 0.0690 ( 5956 PWs) bands (ev): -20.7729 -20.7729 -17.6136 -17.6136 -17.5554 -17.5554 -17.5538 -17.5538 -15.7955 -15.7955 -15.7935 -15.7935 -15.6655 -15.6655 -7.8214 -7.8214 -7.1714 -7.1714 -7.1554 -7.1554 -5.5295 -5.5295 -4.8210 -4.8210 -4.6140 -4.6140 -3.7795 -3.7795 -3.3938 -3.3938 -2.7610 -2.7610 -2.7223 -2.7223 -2.4557 -2.4557 -1.9260 -1.9260 -1.6692 -1.6692 -1.5010 -1.5010 -1.3044 -1.3044 -1.1936 -1.1936 -0.8279 -0.8279 0.1218 0.1218 0.1958 0.1958 0.8417 0.8417 0.9634 0.9634 1.0715 1.0715 1.1808 1.1808 1.4376 1.4376 1.5141 1.5141 1.5547 1.5547 4.1218 4.1218 4.9158 4.9158 4.9175 4.9175 5.0563 5.0563 5.1031 5.1031 5.1870 5.1870 5.3826 5.3826 5.8087 5.8087 6.0541 6.0541 6.7207 6.7207 k = 0.5000 0.5000 0.0862 ( 5956 PWs) bands (ev): -20.7729 -20.7729 -17.6119 -17.6119 -17.5552 -17.5552 -17.5536 -17.5536 -15.7958 -15.7958 -15.7938 -15.7938 -15.6692 -15.6692 -7.8069 -7.8069 -7.1707 -7.1707 -7.1552 -7.1552 -5.5319 -5.5319 -4.8251 -4.8251 -4.6203 -4.6203 -3.7694 -3.7694 -3.3946 -3.3946 -2.7647 -2.7647 -2.7430 -2.7430 -2.4555 -2.4555 -1.9534 -1.9534 -1.6716 -1.6716 -1.4965 -1.4965 -1.2955 -1.2955 -1.1749 -1.1749 -0.8256 -0.8256 0.1242 0.1242 0.2133 0.2133 0.8421 0.8421 0.9420 0.9420 1.0704 1.0704 1.1918 1.1918 1.4294 1.4294 1.5082 1.5082 1.5427 1.5427 4.1295 4.1295 4.9261 4.9261 4.9355 4.9355 5.0624 5.0624 5.1081 5.1081 5.1877 5.1877 5.3905 5.3905 5.8136 5.8136 6.0564 6.0564 6.7202 6.7202 k = 0.5000 0.5000 0.1034 ( 5960 PWs) bands (ev): -20.7728 -20.7728 -17.6100 -17.6100 -17.5550 -17.5550 -17.5534 -17.5534 -15.7961 -15.7961 -15.7942 -15.7942 -15.6736 -15.6736 -7.7894 -7.7894 -7.1699 -7.1699 -7.1549 -7.1549 -5.5349 -5.5349 -4.8299 -4.8299 -4.6279 -4.6279 -3.7575 -3.7575 -3.3955 -3.3955 -2.7751 -2.7751 -2.7617 -2.7617 -2.4553 -2.4553 -1.9852 -1.9852 -1.6703 -1.6703 -1.4920 -1.4920 -1.2901 -1.2901 -1.1512 -1.1512 -0.8228 -0.8228 0.1270 0.1270 0.2342 0.2342 0.8423 0.8423 0.9187 0.9187 1.0692 1.0692 1.2028 1.2028 1.4195 1.4195 1.5012 1.5012 1.5284 1.5284 4.1388 4.1388 4.9365 4.9365 4.9582 4.9582 5.0698 5.0698 5.1142 5.1142 5.1886 5.1886 5.4006 5.4006 5.8196 5.8196 6.0590 6.0590 6.7195 6.7195 k = 0.5000 0.5000 0.1207 ( 5956 PWs) bands (ev): -20.7726 -20.7726 -17.6077 -17.6077 -17.5547 -17.5547 -17.5532 -17.5532 -15.7964 -15.7964 -15.7947 -15.7947 -15.6786 -15.6786 -7.7690 -7.7690 -7.1690 -7.1690 -7.1545 -7.1545 -5.5383 -5.5383 -4.8354 -4.8354 -4.6367 -4.6367 -3.7440 -3.7440 -3.3966 -3.3966 -2.8013 -2.8013 -2.7691 -2.7691 -2.4551 -2.4551 -2.0200 -2.0200 -1.6657 -1.6657 -1.4874 -1.4874 -1.2877 -1.2877 -1.1241 -1.1241 -0.8197 -0.8197 0.1303 0.1303 0.2582 0.2582 0.8420 0.8420 0.8945 0.8945 1.0678 1.0678 1.2135 1.2135 1.4080 1.4080 1.4931 1.4931 1.5117 1.5117 4.1496 4.1496 4.9483 4.9483 4.9831 4.9831 5.0781 5.0781 5.1212 5.1212 5.1897 5.1897 5.4136 5.4136 5.8268 5.8268 6.0620 6.0620 6.7186 6.7186 k = 0.5000 0.5000 0.1379 ( 5956 PWs) bands (ev): -20.7725 -20.7725 -17.6051 -17.6051 -17.5544 -17.5544 -17.5529 -17.5529 -15.7968 -15.7968 -15.7951 -15.7951 -15.6843 -15.6843 -7.7458 -7.7458 -7.1680 -7.1680 -7.1541 -7.1541 -5.5422 -5.5422 -4.8415 -4.8415 -4.6468 -4.6468 -3.7290 -3.7290 -3.3978 -3.3978 -2.8332 -2.8332 -2.7747 -2.7747 -2.4549 -2.4549 -2.0565 -2.0565 -1.6581 -1.6581 -1.4827 -1.4827 -1.2873 -1.2873 -1.0952 -1.0952 -0.8162 -0.8162 0.1341 0.1341 0.2849 0.2849 0.8392 0.8392 0.8715 0.8715 1.0661 1.0661 1.2235 1.2235 1.3949 1.3949 1.4841 1.4841 1.4930 1.4930 4.1617 4.1617 4.9616 4.9616 5.0094 5.0094 5.0875 5.0875 5.1291 5.1291 5.1909 5.1909 5.4299 5.4299 5.8351 5.8351 6.0654 6.0654 6.7177 6.7177 k = 0.5000 0.5000 0.1552 ( 5948 PWs) bands (ev): -20.7724 -20.7724 -17.6022 -17.6022 -17.5541 -17.5541 -17.5526 -17.5526 -15.7973 -15.7973 -15.7957 -15.7957 -15.6906 -15.6906 -7.7199 -7.7199 -7.1669 -7.1669 -7.1537 -7.1537 -5.5466 -5.5466 -4.8480 -4.8480 -4.6582 -4.6582 -3.7129 -3.7129 -3.3990 -3.3990 -2.8681 -2.8681 -2.7808 -2.7808 -2.4546 -2.4546 -2.0936 -2.0936 -1.6482 -1.6482 -1.4777 -1.4777 -1.2882 -1.2882 -1.0658 -1.0658 -0.8125 -0.8125 0.1382 0.1382 0.3142 0.3142 0.8268 0.8268 0.8573 0.8573 1.0643 1.0643 1.2330 1.2330 1.3805 1.3805 1.4716 1.4716 1.4750 1.4750 4.1750 4.1750 4.9761 4.9761 5.0360 5.0360 5.0977 5.0977 5.1378 5.1378 5.1924 5.1924 5.4500 5.4500 5.8446 5.8446 6.0690 6.0690 6.7167 6.7167 k = 0.5000 0.5000 0.1724 ( 5948 PWs) bands (ev): -20.7722 -20.7722 -17.5991 -17.5991 -17.5537 -17.5537 -17.5523 -17.5523 -15.7978 -15.7978 -15.7963 -15.7963 -15.6973 -15.6973 -7.6917 -7.6917 -7.1657 -7.1657 -7.1533 -7.1533 -5.5514 -5.5514 -4.8550 -4.8550 -4.6707 -4.6707 -3.6958 -3.6958 -3.4004 -3.4004 -2.9053 -2.9053 -2.7878 -2.7878 -2.4544 -2.4544 -2.1304 -2.1304 -1.6363 -1.6363 -1.4725 -1.4725 -1.2900 -1.2900 -1.0365 -1.0365 -0.8085 -0.8085 0.1427 0.1427 0.3454 0.3454 0.8027 0.8027 0.8539 0.8539 1.0624 1.0624 1.2417 1.2417 1.3649 1.3649 1.4496 1.4496 1.4642 1.4642 4.1894 4.1894 4.9917 4.9917 5.0620 5.0620 5.1086 5.1086 5.1472 5.1472 5.1940 5.1940 5.4742 5.4742 5.8553 5.8553 6.0727 6.0727 6.7155 6.7155 k = 0.5000 0.5000 0.1897 ( 5964 PWs) bands (ev): -20.7720 -20.7720 -17.5958 -17.5958 -17.5534 -17.5534 -17.5520 -17.5520 -15.7983 -15.7983 -15.7969 -15.7969 -15.7045 -15.7045 -7.6611 -7.6611 -7.1644 -7.1644 -7.1528 -7.1528 -5.5565 -5.5565 -4.8622 -4.8622 -4.6844 -4.6844 -3.6781 -3.6781 -3.4017 -3.4017 -2.9441 -2.9441 -2.7957 -2.7957 -2.4541 -2.4541 -2.1664 -2.1664 -1.6229 -1.6229 -1.4672 -1.4672 -1.2922 -1.2922 -1.0080 -1.0080 -0.8044 -0.8044 0.1476 0.1476 0.3784 0.3784 0.7749 0.7749 0.8540 0.8540 1.0603 1.0603 1.2498 1.2498 1.3480 1.3480 1.4257 1.4257 1.4531 1.4531 4.2048 4.2048 5.0080 5.0080 5.0864 5.0864 5.1201 5.1201 5.1571 5.1571 5.1958 5.1958 5.5030 5.5030 5.8671 5.8671 6.0766 6.0766 6.7142 6.7142 k = 0.5000 0.5000 0.2069 ( 5956 PWs) bands (ev): -20.7719 -20.7719 -17.5924 -17.5924 -17.5530 -17.5530 -17.5516 -17.5516 -15.7988 -15.7988 -15.7975 -15.7975 -15.7120 -15.7120 -7.6286 -7.6286 -7.1630 -7.1630 -7.1522 -7.1522 -5.5621 -5.5621 -4.8696 -4.8696 -4.6993 -4.6993 -3.6601 -3.6601 -3.4030 -3.4030 -2.9839 -2.9839 -2.8046 -2.8046 -2.4538 -2.4538 -2.2008 -2.2008 -1.6082 -1.6082 -1.4618 -1.4618 -1.2947 -1.2947 -0.9804 -0.9804 -0.8001 -0.8001 0.1528 0.1528 0.4126 0.4126 0.7458 0.7458 0.8550 0.8550 1.0581 1.0581 1.2571 1.2571 1.3301 1.3301 1.4005 1.4005 1.4417 1.4417 4.2209 4.2209 5.0250 5.0250 5.1086 5.1086 5.1321 5.1321 5.1675 5.1675 5.1979 5.1979 5.5364 5.5364 5.8802 5.8802 6.0806 6.0806 6.7128 6.7128 k = 0.5000 0.5000 0.2241 ( 5960 PWs) bands (ev): -20.7717 -20.7717 -17.5888 -17.5888 -17.5526 -17.5526 -17.5512 -17.5512 -15.7994 -15.7994 -15.7982 -15.7982 -15.7197 -15.7197 -7.5944 -7.5944 -7.1616 -7.1616 -7.1517 -7.1517 -5.5680 -5.5680 -4.8772 -4.8772 -4.7152 -4.7152 -3.6419 -3.6419 -3.4042 -3.4042 -3.0242 -3.0242 -2.8145 -2.8145 -2.4536 -2.4536 -2.2333 -2.2333 -1.5926 -1.5926 -1.4563 -1.4563 -1.2971 -1.2971 -0.9541 -0.9541 -0.7957 -0.7957 0.1582 0.1582 0.4478 0.4478 0.7161 0.7161 0.8565 0.8565 1.0558 1.0558 1.2637 1.2637 1.3112 1.3112 1.3744 1.3744 1.4300 1.4300 4.2375 4.2375 5.0424 5.0424 5.1283 5.1283 5.1444 5.1444 5.1782 5.1782 5.2000 5.2000 5.5741 5.5741 5.8943 5.8943 6.0847 6.0847 6.7113 6.7113 k = 0.5000 0.5000 0.2414 ( 5952 PWs) bands (ev): -20.7715 -20.7715 -17.5851 -17.5851 -17.5522 -17.5522 -17.5508 -17.5508 -15.7999 -15.7999 -15.7988 -15.7988 -15.7275 -15.7275 -7.5587 -7.5587 -7.1602 -7.1602 -7.1512 -7.1512 -5.5742 -5.5742 -4.8847 -4.8847 -4.7321 -4.7321 -3.6240 -3.6240 -3.4053 -3.4053 -3.0643 -3.0643 -2.8253 -2.8253 -2.4533 -2.4533 -2.2636 -2.2636 -1.5763 -1.5763 -1.4508 -1.4508 -1.2994 -1.2994 -0.9292 -0.9292 -0.7912 -0.7912 0.1638 0.1638 0.4835 0.4835 0.6864 0.6864 0.8583 0.8583 1.0535 1.0535 1.2695 1.2695 1.2913 1.2913 1.3478 1.3478 1.4182 1.4182 4.2545 4.2545 5.0600 5.0600 5.1453 5.1453 5.1569 5.1569 5.1890 5.1890 5.2024 5.2024 5.6155 5.6155 5.9096 5.9096 6.0887 6.0887 6.7096 6.7096 k = 0.5000 0.5000 0.2586 ( 5952 PWs) bands (ev): -20.7713 -20.7713 -17.5814 -17.5814 -17.5518 -17.5518 -17.5504 -17.5504 -15.8005 -15.8005 -15.7995 -15.7995 -15.7355 -15.7355 -7.5219 -7.5219 -7.1588 -7.1588 -7.1506 -7.1506 -5.5807 -5.5807 -4.8921 -4.8921 -4.7499 -4.7499 -3.6066 -3.6066 -3.4062 -3.4062 -3.1037 -3.1037 -2.8370 -2.8370 -2.4530 -2.4530 -2.2915 -2.2915 -1.5596 -1.5596 -1.4455 -1.4455 -1.3013 -1.3013 -0.9057 -0.9057 -0.7867 -0.7867 0.1696 0.1696 0.5194 0.5194 0.6568 0.6568 0.8603 0.8603 1.0511 1.0511 1.2704 1.2704 1.2749 1.2749 1.3210 1.3210 1.4064 1.4064 4.2717 4.2717 5.0776 5.0776 5.1599 5.1599 5.1695 5.1695 5.1997 5.1997 5.2051 5.2051 5.6599 5.6599 5.9258 5.9258 6.0927 6.0927 6.7079 6.7079 k = 0.5000 0.5000 0.2759 ( 5940 PWs) bands (ev): -20.7711 -20.7711 -17.5777 -17.5777 -17.5514 -17.5514 -17.5500 -17.5500 -15.8010 -15.8010 -15.8002 -15.8002 -15.7434 -15.7434 -7.4844 -7.4844 -7.1574 -7.1574 -7.1500 -7.1500 -5.5874 -5.5874 -4.8994 -4.8994 -4.7685 -4.7685 -3.5902 -3.5902 -3.4067 -3.4067 -3.1418 -3.1418 -2.8495 -2.8495 -2.4527 -2.4527 -2.3168 -2.3168 -1.5429 -1.5429 -1.4404 -1.4404 -1.3026 -1.3026 -0.8838 -0.8838 -0.7822 -0.7822 0.1755 0.1755 0.5553 0.5553 0.6278 0.6278 0.8624 0.8624 1.0487 1.0487 1.2491 1.2491 1.2780 1.2780 1.2955 1.2955 1.3947 1.3947 4.2888 4.2888 5.0951 5.0951 5.1722 5.1722 5.1820 5.1820 5.2073 5.2073 5.2110 5.2110 5.7062 5.7062 5.9429 5.9429 6.0967 6.0967 6.7061 6.7061 k = 0.5000 0.5000 0.2931 ( 5944 PWs) bands (ev): -20.7709 -20.7709 -17.5740 -17.5740 -17.5510 -17.5510 -17.5497 -17.5497 -15.8016 -15.8016 -15.8008 -15.8008 -15.7511 -15.7511 -7.4464 -7.4464 -7.1560 -7.1560 -7.1495 -7.1495 -5.5943 -5.5943 -4.9064 -4.9064 -4.7877 -4.7877 -3.5750 -3.5750 -3.4069 -3.4069 -3.1780 -3.1780 -2.8625 -2.8625 -2.4525 -2.4525 -2.3396 -2.3396 -1.5264 -1.5264 -1.4357 -1.4357 -1.3033 -1.3033 -0.8634 -0.8634 -0.7777 -0.7777 0.1814 0.1814 0.5907 0.5907 0.5994 0.5994 0.8647 0.8647 1.0464 1.0464 1.2268 1.2268 1.2649 1.2649 1.2863 1.2863 1.3833 1.3833 4.3057 4.3057 5.1121 5.1121 5.1826 5.1826 5.1939 5.1939 5.2107 5.2107 5.2210 5.2210 5.7535 5.7535 5.9607 5.9607 6.1005 6.1005 6.7042 6.7042 k = 0.5000 0.5000 0.3103 ( 5944 PWs) bands (ev): -20.7708 -20.7708 -17.5704 -17.5704 -17.5507 -17.5507 -17.5493 -17.5493 -15.8021 -15.8021 -15.8015 -15.8015 -15.7587 -15.7587 -7.4086 -7.4086 -7.1546 -7.1546 -7.1489 -7.1489 -5.6014 -5.6014 -4.9131 -4.9131 -4.8073 -4.8073 -3.5615 -3.5615 -3.4064 -3.4064 -3.2120 -3.2120 -2.8759 -2.8759 -2.4522 -2.4522 -2.3598 -2.3598 -1.5103 -1.5103 -1.4314 -1.4314 -1.3032 -1.3032 -0.8445 -0.8445 -0.7734 -0.7734 0.1873 0.1873 0.5719 0.5719 0.6257 0.6257 0.8672 0.8672 1.0440 1.0440 1.2039 1.2039 1.2401 1.2401 1.2890 1.2890 1.3722 1.3722 4.3220 4.3220 5.1285 5.1285 5.1913 5.1913 5.2043 5.2043 5.2152 5.2152 5.2308 5.2308 5.8008 5.8008 5.9791 5.9791 6.1043 6.1043 6.7022 6.7022 k = 0.5000 0.5000 0.3276 ( 5960 PWs) bands (ev): -20.7706 -20.7706 -17.5670 -17.5670 -17.5503 -17.5503 -17.5489 -17.5489 -15.8026 -15.8026 -15.8021 -15.8021 -15.7659 -15.7659 -7.3712 -7.3712 -7.1533 -7.1533 -7.1484 -7.1484 -5.6086 -5.6086 -4.9194 -4.9194 -4.8270 -4.8270 -3.5502 -3.5502 -3.4052 -3.4052 -3.2433 -3.2433 -2.8894 -2.8894 -2.4520 -2.4520 -2.3775 -2.3775 -1.4950 -1.4950 -1.4277 -1.4277 -1.3022 -1.3022 -0.8273 -0.8273 -0.7691 -0.7691 0.1932 0.1932 0.5457 0.5457 0.6597 0.6597 0.8698 0.8698 1.0417 1.0417 1.1806 1.1806 1.2154 1.2154 1.2921 1.2921 1.3617 1.3617 4.3377 4.3377 5.1442 5.1442 5.1987 5.1987 5.2109 5.2109 5.2230 5.2230 5.2401 5.2401 5.8471 5.8471 5.9977 5.9977 6.1079 6.1079 6.7002 6.7002 k = 0.5000 0.5000 0.3448 ( 5956 PWs) bands (ev): -20.7704 -20.7704 -17.5637 -17.5637 -17.5500 -17.5500 -17.5486 -17.5486 -15.8031 -15.8031 -15.8026 -15.8026 -15.7728 -15.7728 -7.3349 -7.3349 -7.1521 -7.1521 -7.1479 -7.1479 -5.6158 -5.6158 -4.9253 -4.9253 -4.8464 -4.8464 -3.5413 -3.5413 -3.4031 -3.4031 -3.2713 -3.2713 -2.9027 -2.9027 -2.4517 -2.4517 -2.3928 -2.3928 -1.4806 -1.4806 -1.4246 -1.4246 -1.3003 -1.3003 -0.8117 -0.8117 -0.7651 -0.7651 0.1988 0.1988 0.5210 0.5210 0.6926 0.6926 0.8725 0.8725 1.0395 1.0395 1.1573 1.1573 1.1916 1.1916 1.2948 1.2948 1.3518 1.3518 4.3525 4.3525 5.1589 5.1589 5.2050 5.2050 5.2146 5.2146 5.2330 5.2330 5.2487 5.2487 5.8914 5.8914 6.0164 6.0164 6.1115 6.1115 6.6982 6.6982 k = 0.5000 0.5000 0.3621 ( 5948 PWs) bands (ev): -20.7703 -20.7703 -17.5606 -17.5606 -17.5496 -17.5496 -17.5482 -17.5482 -15.8036 -15.8036 -15.8032 -15.8032 -15.7792 -15.7792 -7.3002 -7.3002 -7.1510 -7.1510 -7.1474 -7.1474 -5.6229 -5.6229 -4.9307 -4.9307 -4.8654 -4.8654 -3.5352 -3.5352 -3.4002 -3.4002 -3.2959 -3.2959 -2.9155 -2.9155 -2.4515 -2.4515 -2.4060 -2.4060 -1.4675 -1.4675 -1.4221 -1.4221 -1.2976 -1.2976 -0.7977 -0.7977 -0.7612 -0.7612 0.2042 0.2042 0.4980 0.4980 0.7244 0.7244 0.8754 0.8754 1.0374 1.0374 1.1345 1.1345 1.1686 1.1686 1.2972 1.2972 1.3427 1.3427 4.3663 4.3663 5.1726 5.1726 5.2102 5.2102 5.2174 5.2174 5.2432 5.2432 5.2565 5.2565 5.9328 5.9328 6.0349 6.0349 6.1150 6.1150 6.6961 6.6961 k = 0.5000 0.5000 0.3793 ( 5948 PWs) bands (ev): -20.7702 -20.7702 -17.5578 -17.5578 -17.5493 -17.5493 -17.5480 -17.5480 -15.8040 -15.8040 -15.8037 -15.8037 -15.7850 -15.7850 -7.2676 -7.2676 -7.1500 -7.1500 -7.1469 -7.1469 -5.6298 -5.6298 -4.9355 -4.9355 -4.8834 -4.8834 -3.5317 -3.5317 -3.3964 -3.3964 -3.3167 -3.3167 -2.9275 -2.9275 -2.4513 -2.4513 -2.4172 -2.4172 -1.4556 -1.4556 -1.4202 -1.4202 -1.2943 -1.2943 -0.7853 -0.7853 -0.7577 -0.7577 0.2092 0.2092 0.4771 0.4771 0.7548 0.7548 0.8783 0.8783 1.0354 1.0354 1.1128 1.1128 1.1463 1.1463 1.2993 1.2993 1.3344 1.3344 4.3788 4.3788 5.1849 5.1849 5.2146 5.2146 5.2198 5.2198 5.2527 5.2527 5.2636 5.2636 5.9703 5.9703 6.0531 6.0531 6.1185 6.1185 6.6942 6.6942 k = 0.5000 0.5000 0.3966 ( 5940 PWs) bands (ev): -20.7700 -20.7700 -17.5553 -17.5553 -17.5490 -17.5490 -17.5477 -17.5477 -15.8044 -15.8044 -15.8041 -15.8041 -15.7902 -15.7902 -7.2377 -7.2377 -7.1491 -7.1491 -7.1465 -7.1465 -5.6364 -5.6364 -4.9398 -4.9398 -4.9001 -4.9001 -3.5307 -3.5307 -3.3922 -3.3922 -3.3339 -3.3339 -2.9385 -2.9385 -2.4511 -2.4511 -2.4265 -2.4265 -1.4453 -1.4453 -1.4188 -1.4188 -1.2906 -1.2906 -0.7746 -0.7746 -0.7544 -0.7544 0.2139 0.2139 0.4583 0.4583 0.7836 0.7836 0.8812 0.8812 1.0334 1.0334 1.0927 1.0927 1.1249 1.1249 1.3010 1.3010 1.3270 1.3270 4.3899 4.3899 5.1959 5.1959 5.2183 5.2183 5.2219 5.2219 5.2614 5.2614 5.2698 5.2698 6.0030 6.0030 6.0707 6.0707 6.1221 6.1221 6.6923 6.6923 k = 0.5000 0.5000 0.4138 ( 5940 PWs) bands (ev): -20.7699 -20.7699 -17.5532 -17.5532 -17.5487 -17.5487 -17.5475 -17.5475 -15.8047 -15.8047 -15.8044 -15.8044 -15.7947 -15.7947 -7.2112 -7.2112 -7.1484 -7.1484 -7.1460 -7.1460 -5.6424 -5.6424 -4.9435 -4.9435 -4.9150 -4.9150 -3.5315 -3.5315 -3.3877 -3.3877 -3.3476 -3.3476 -2.9482 -2.9482 -2.4509 -2.4509 -2.4341 -2.4341 -1.4365 -1.4365 -1.4179 -1.4179 -1.2867 -1.2867 -0.7655 -0.7655 -0.7516 -0.7516 0.2180 0.2180 0.4420 0.4420 0.8107 0.8107 0.8841 0.8841 1.0313 1.0313 1.0749 1.0749 1.1042 1.1042 1.3024 1.3024 1.3206 1.3206 4.3996 4.3996 5.2055 5.2055 5.2212 5.2212 5.2237 5.2237 5.2691 5.2691 5.2751 5.2751 6.0297 6.0297 6.0878 6.0878 6.1258 6.1258 6.6905 6.6905 k = 0.5000 0.5000 0.4310 ( 5948 PWs) bands (ev): -20.7698 -20.7698 -17.5516 -17.5516 -17.5484 -17.5484 -17.5473 -17.5473 -15.8050 -15.8050 -15.8048 -15.8048 -15.7985 -15.7985 -7.1885 -7.1885 -7.1478 -7.1478 -7.1456 -7.1456 -5.6477 -5.6477 -4.9466 -4.9466 -4.9278 -4.9278 -3.5335 -3.5335 -3.3834 -3.3834 -3.3580 -3.3580 -2.9565 -2.9565 -2.4508 -2.4508 -2.4402 -2.4402 -1.4293 -1.4293 -1.4173 -1.4173 -1.2830 -1.2830 -0.7580 -0.7580 -0.7492 -0.7492 0.2215 0.2215 0.4284 0.4284 0.8356 0.8356 0.8869 0.8869 1.0288 1.0288 1.0600 1.0600 1.0848 1.0848 1.3036 1.3036 1.3152 1.3152 4.4076 4.4076 5.2134 5.2134 5.2236 5.2236 5.2253 5.2253 5.2755 5.2755 5.2795 5.2795 6.0500 6.0500 6.1039 6.1039 6.1296 6.1296 6.6890 6.6890 k = 0.5000 0.5000 0.4483 ( 5940 PWs) bands (ev): -20.7698 -20.7698 -17.5504 -17.5504 -17.5479 -17.5479 -17.5471 -17.5471 -15.8052 -15.8052 -15.8050 -15.8050 -15.8015 -15.8015 -7.1703 -7.1703 -7.1474 -7.1474 -7.1453 -7.1453 -5.6520 -5.6520 -4.9489 -4.9489 -4.9382 -4.9382 -3.5360 -3.5360 -3.3798 -3.3798 -3.3655 -3.3655 -2.9631 -2.9631 -2.4507 -2.4507 -2.4448 -2.4448 -1.4237 -1.4237 -1.4169 -1.4169 -1.2798 -1.2798 -0.7522 -0.7522 -0.7472 -0.7472 0.2243 0.2243 0.4176 0.4176 0.8578 0.8578 0.8895 0.8895 1.0256 1.0256 1.0489 1.0489 1.0670 1.0670 1.3044 1.3044 1.3110 1.3110 4.4140 4.4140 5.2196 5.2196 5.2253 5.2253 5.2265 5.2265 5.2806 5.2806 5.2829 5.2829 6.0642 6.0642 6.1183 6.1183 6.1333 6.1333 6.6877 6.6877 k = 0.5000 0.5000 0.4655 ( 5920 PWs) bands (ev): -20.7697 -20.7697 -17.5497 -17.5497 -17.5474 -17.5474 -17.5470 -17.5470 -15.8053 -15.8053 -15.8052 -15.8052 -15.8036 -15.8036 -7.1570 -7.1570 -7.1469 -7.1469 -7.1450 -7.1450 -5.6553 -5.6553 -4.9507 -4.9507 -4.9458 -4.9458 -3.5382 -3.5382 -3.3769 -3.3769 -3.3706 -3.3706 -2.9679 -2.9679 -2.4506 -2.4506 -2.4480 -2.4480 -1.4197 -1.4197 -1.4167 -1.4167 -1.2772 -1.2772 -0.7480 -0.7480 -0.7458 -0.7458 0.2264 0.2264 0.4097 0.4097 0.8761 0.8761 0.8916 0.8916 1.0214 1.0214 1.0421 1.0421 1.0521 1.0521 1.3051 1.3051 1.3080 1.3080 4.4186 4.4186 5.2241 5.2241 5.2265 5.2265 5.2275 5.2275 5.2843 5.2843 5.2854 5.2854 6.0733 6.0733 6.1296 6.1296 6.1365 6.1365 6.6867 6.6867 k = 0.5000 0.5000 0.4828 ( 5904 PWs) bands (ev): -20.7697 -20.7697 -17.5494 -17.5494 -17.5471 -17.5471 -17.5469 -17.5469 -15.8055 -15.8055 -15.8052 -15.8052 -15.8049 -15.8049 -7.1495 -7.1495 -7.1461 -7.1461 -7.1449 -7.1449 -5.6574 -5.6574 -4.9517 -4.9517 -4.9505 -4.9505 -3.5397 -3.5397 -3.3751 -3.3751 -3.3736 -3.3736 -2.9708 -2.9708 -2.4505 -2.4505 -2.4499 -2.4499 -1.4173 -1.4173 -1.4166 -1.4166 -1.2757 -1.2757 -0.7455 -0.7455 -0.7450 -0.7450 0.2277 0.2277 0.4050 0.4050 0.8888 0.8888 0.8929 0.8929 1.0175 1.0175 1.0390 1.0390 1.0418 1.0418 1.3054 1.3054 1.3062 1.3062 4.4214 4.4214 5.2267 5.2267 5.2272 5.2272 5.2283 5.2283 5.2866 5.2866 5.2869 5.2869 6.0782 6.0782 6.1369 6.1369 6.1386 6.1386 6.6861 6.6861 k = 0.5000 0.5000 0.5000 ( 5904 PWs) bands (ev): -20.7697 -20.7697 -17.5493 -17.5493 -17.5469 -17.5469 -17.5469 -17.5469 -15.8056 -15.8056 -15.8053 -15.8053 -15.8053 -15.8053 -7.1480 -7.1480 -7.1448 -7.1448 -7.1448 -7.1448 -5.6580 -5.6580 -4.9521 -4.9521 -4.9521 -4.9521 -3.5403 -3.5403 -3.3745 -3.3745 -3.3745 -3.3745 -2.9718 -2.9718 -2.4505 -2.4505 -2.4505 -2.4505 -1.4165 -1.4165 -1.4165 -1.4165 -1.2751 -1.2751 -0.7447 -0.7447 -0.7447 -0.7447 0.2281 0.2281 0.4034 0.4034 0.8934 0.8934 0.8934 0.8934 1.0159 1.0159 1.0381 1.0381 1.0381 1.0381 1.3055 1.3055 1.3055 1.3055 4.4223 4.4223 5.2274 5.2274 5.2274 5.2274 5.2287 5.2287 5.2873 5.2873 5.2873 5.2873 6.0798 6.0798 6.1394 6.1394 6.1394 6.1394 6.6859 6.6859 Writing output data file RbHgxNO2x3.save init_run : 0.55s CPU 0.73s WALL ( 1 calls) electrons : 239.34s CPU 242.39s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.04s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 239.33s CPU 242.38s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.11s CPU 0.19s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.08s WALL ( 225 calls) cegterg : 221.23s CPU 223.55s WALL ( 225 calls) Called by sum_band: Called by *egterg: h_psi : 130.41s CPU 132.10s WALL ( 3975 calls) s_psi : 8.44s CPU 8.38s WALL ( 3975 calls) g_psi : 0.44s CPU 0.41s WALL ( 3525 calls) cdiaghg : 63.10s CPU 63.92s WALL ( 3750 calls) cegterg:over : 13.66s CPU 13.73s WALL ( 3525 calls) cegterg:upda : 10.01s CPU 10.09s WALL ( 3525 calls) cegterg:last : 7.30s CPU 7.27s WALL ( 898 calls) cdiaghg:chol : 3.62s CPU 3.84s WALL ( 3750 calls) cdiaghg:inve : 2.82s CPU 2.79s WALL ( 3750 calls) cdiaghg:para : 4.93s CPU 5.02s WALL ( 7500 calls) Called by h_psi: h_psi:vloc : 110.98s CPU 112.54s WALL ( 3975 calls) h_psi:vnl : 19.01s CPU 19.12s WALL ( 3975 calls) add_vuspsi : 9.43s CPU 9.40s WALL ( 3975 calls) General routines calbec : 9.56s CPU 9.70s WALL ( 3975 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 102.76s CPU 104.39s WALL ( 957256 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.20s CPU 0.32s WALL ( 450 calls) Parallel routines fft_scatter : 34.59s CPU 34.64s WALL ( 957279 calls) PWSCF : 4m21.22s CPU 4m34.88s WALL This run was terminated on: 19:45:50 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=