Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:14:48 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: ./CaxSbO3x2.save/ file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 61 35 10 2203 967 152 Max 62 36 11 2207 985 155 Sum 2197 1273 367 79339 35081 5489 bravais-lattice index = 14 lattice parameter (alat) = 9.9031 a.u. unit-cell volume = 806.0425 (a.u.)^3 number of atoms/cell = 9 number of atomic types = 3 number of electrons = 56.00 number of Kohn-Sham states= 68 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.903109 celldm(2)= 1.000000 celldm(3)= 0.958325 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 0.958325 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 1.043488 ) PseudoPot. # 1 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. # 2 for Sb read from file: /users/gautes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 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 1243 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. # 3 for Ca read from file: /users/gautes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1169 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 atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Sb 5.00 121.76000 Sb( 1.00) Ca 10.00 40.07800 Ca( 1.00) 12 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 [0,1,0] cryst. s( 2) = ( -1 0 0 ) ( 1 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 = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 5) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.5000000 -0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [2,1,0] cryst. s( 6) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 8) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 8) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [1,-1,0] cryst. s(11) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(11) = ( -0.5000000 0.8660254 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(12) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(12) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 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_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 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_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 -6 -5 180 deg rotation - cart. axis [0,1,0] 3C2' 5 6 -2 180 deg rotation - cryst. axis [1,-1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 -12 -11 inv. 180 deg rotation - cart. axis [0,1,0] 3s_v 11 12 -8 inv. 180 deg rotation - cryst. axis [1,-1,0] Cartesian axes number of k points= 295 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033898 k( 2) = ( 0.0142857 0.0082479 -0.0000000), wk = 0.0033898 k( 3) = ( 0.0285714 0.0164957 -0.0000000), wk = 0.0033898 k( 4) = ( 0.0428571 0.0247436 -0.0000000), wk = 0.0033898 k( 5) = ( 0.0571429 0.0329914 -0.0000000), wk = 0.0033898 k( 6) = ( 0.0714286 0.0412393 -0.0000000), wk = 0.0033898 k( 7) = ( 0.0857143 0.0494872 -0.0000000), wk = 0.0033898 k( 8) = ( 0.1000000 0.0577350 -0.0000000), wk = 0.0033898 k( 9) = ( 0.1142857 0.0659829 -0.0000000), wk = 0.0033898 k( 10) = ( 0.1285714 0.0742307 -0.0000000), wk = 0.0033898 k( 11) = ( 0.1428571 0.0824786 -0.0000000), wk = 0.0033898 k( 12) = ( 0.1571429 0.0907265 -0.0000000), wk = 0.0033898 k( 13) = ( 0.1714286 0.0989743 -0.0000000), wk = 0.0033898 k( 14) = ( 0.1857143 0.1072222 -0.0000000), wk = 0.0033898 k( 15) = ( 0.2000000 0.1154701 -0.0000000), wk = 0.0033898 k( 16) = ( 0.2142857 0.1237179 -0.0000000), wk = 0.0033898 k( 17) = ( 0.2285714 0.1319658 -0.0000000), wk = 0.0033898 k( 18) = ( 0.2428571 0.1402136 -0.0000000), wk = 0.0033898 k( 19) = ( 0.2571429 0.1484615 -0.0000000), wk = 0.0033898 k( 20) = ( 0.2714286 0.1567094 -0.0000000), wk = 0.0033898 k( 21) = ( 0.2857143 0.1649572 -0.0000000), wk = 0.0033898 k( 22) = ( 0.3000000 0.1732051 -0.0000000), wk = 0.0033898 k( 23) = ( 0.3142857 0.1814529 -0.0000000), wk = 0.0033898 k( 24) = ( 0.3285714 0.1897008 -0.0000000), wk = 0.0033898 k( 25) = ( 0.3428571 0.1979487 -0.0000000), wk = 0.0033898 k( 26) = ( 0.3571429 0.2061965 -0.0000000), wk = 0.0033898 k( 27) = ( 0.3714286 0.2144444 -0.0000000), wk = 0.0033898 k( 28) = ( 0.3857143 0.2226922 -0.0000000), wk = 0.0033898 k( 29) = ( 0.4000000 0.2309401 -0.0000000), wk = 0.0033898 k( 30) = ( 0.4142857 0.2391880 -0.0000000), wk = 0.0033898 k( 31) = ( 0.4285714 0.2474358 -0.0000000), wk = 0.0033898 k( 32) = ( 0.4428571 0.2556837 -0.0000000), wk = 0.0033898 k( 33) = ( 0.4571429 0.2639316 -0.0000000), wk = 0.0033898 k( 34) = ( 0.4714286 0.2721794 -0.0000000), wk = 0.0033898 k( 35) = ( 0.4857143 0.2804273 -0.0000000), wk = 0.0033898 k( 36) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033898 k( 37) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033898 k( 38) = ( 0.4916667 0.3031089 -0.0000000), wk = 0.0033898 k( 39) = ( 0.4833333 0.3175426 -0.0000000), wk = 0.0033898 k( 40) = ( 0.4750000 0.3319764 -0.0000000), wk = 0.0033898 k( 41) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0033898 k( 42) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0033898 k( 43) = ( 0.4500000 0.3752777 -0.0000000), wk = 0.0033898 k( 44) = ( 0.4416667 0.3897114 -0.0000000), wk = 0.0033898 k( 45) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0033898 k( 46) = ( 0.4250000 0.4185789 -0.0000000), wk = 0.0033898 k( 47) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0033898 k( 48) = ( 0.4083333 0.4474465 -0.0000000), wk = 0.0033898 k( 49) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0033898 k( 50) = ( 0.3916667 0.4763140 -0.0000000), wk = 0.0033898 k( 51) = ( 0.3833333 0.4907477 -0.0000000), wk = 0.0033898 k( 52) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0033898 k( 53) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0033898 k( 54) = ( 0.3583333 0.5340490 -0.0000000), wk = 0.0033898 k( 55) = ( 0.3500000 0.5484828 -0.0000000), wk = 0.0033898 k( 56) = ( 0.3416667 0.5629165 -0.0000000), wk = 0.0033898 k( 57) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033898 k( 58) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033898 k( 59) = ( 0.3250000 0.5629165 -0.0000000), wk = 0.0033898 k( 60) = ( 0.3166667 0.5484828 -0.0000000), wk = 0.0033898 k( 61) = ( 0.3083333 0.5340490 -0.0000000), wk = 0.0033898 k( 62) = ( 0.3000000 0.5196152 -0.0000000), wk = 0.0033898 k( 63) = ( 0.2916667 0.5051815 -0.0000000), wk = 0.0033898 k( 64) = ( 0.2833333 0.4907477 -0.0000000), wk = 0.0033898 k( 65) = ( 0.2750000 0.4763140 -0.0000000), wk = 0.0033898 k( 66) = ( 0.2666667 0.4618802 -0.0000000), wk = 0.0033898 k( 67) = ( 0.2583333 0.4474465 -0.0000000), wk = 0.0033898 k( 68) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0033898 k( 69) = ( 0.2416667 0.4185790 -0.0000000), wk = 0.0033898 k( 70) = ( 0.2333333 0.4041452 -0.0000000), wk = 0.0033898 k( 71) = ( 0.2250000 0.3897114 -0.0000000), wk = 0.0033898 k( 72) = ( 0.2166667 0.3752777 -0.0000000), wk = 0.0033898 k( 73) = ( 0.2083333 0.3608439 -0.0000000), wk = 0.0033898 k( 74) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0033898 k( 75) = ( 0.1916667 0.3319764 -0.0000000), wk = 0.0033898 k( 76) = ( 0.1833333 0.3175426 -0.0000000), wk = 0.0033898 k( 77) = ( 0.1750000 0.3031089 -0.0000000), wk = 0.0033898 k( 78) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0033898 k( 79) = ( 0.1583333 0.2742414 -0.0000000), wk = 0.0033898 k( 80) = ( 0.1500000 0.2598076 -0.0000000), wk = 0.0033898 k( 81) = ( 0.1416667 0.2453739 -0.0000000), wk = 0.0033898 k( 82) = ( 0.1333333 0.2309401 -0.0000000), wk = 0.0033898 k( 83) = ( 0.1250000 0.2165064 -0.0000000), wk = 0.0033898 k( 84) = ( 0.1166667 0.2020726 -0.0000000), wk = 0.0033898 k( 85) = ( 0.1083333 0.1876388 -0.0000000), wk = 0.0033898 k( 86) = ( 0.1000000 0.1732051 -0.0000000), wk = 0.0033898 k( 87) = ( 0.0916667 0.1587713 -0.0000000), wk = 0.0033898 k( 88) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0033898 k( 89) = ( 0.0750000 0.1299038 -0.0000000), wk = 0.0033898 k( 90) = ( 0.0666667 0.1154701 -0.0000000), wk = 0.0033898 k( 91) = ( 0.0583333 0.1010363 -0.0000000), wk = 0.0033898 k( 92) = ( 0.0500000 0.0866025 -0.0000000), wk = 0.0033898 k( 93) = ( 0.0416667 0.0721688 -0.0000000), wk = 0.0033898 k( 94) = ( 0.0333333 0.0577350 -0.0000000), wk = 0.0033898 k( 95) = ( 0.0250000 0.0433013 -0.0000000), wk = 0.0033898 k( 96) = ( 0.0166667 0.0288675 -0.0000000), wk = 0.0033898 k( 97) = ( 0.0083333 0.0144338 -0.0000000), wk = 0.0033898 k( 98) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033898 k( 99) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033898 k( 100) = ( 0.0000000 0.0000000 0.0163045), wk = 0.0033898 k( 101) = ( 0.0000000 0.0000000 0.0326090), wk = 0.0033898 k( 102) = ( 0.0000000 0.0000000 0.0489135), wk = 0.0033898 k( 103) = ( 0.0000000 0.0000000 0.0652180), wk = 0.0033898 k( 104) = ( 0.0000000 0.0000000 0.0815225), wk = 0.0033898 k( 105) = ( 0.0000000 0.0000000 0.0978270), wk = 0.0033898 k( 106) = ( 0.0000000 0.0000000 0.1141315), wk = 0.0033898 k( 107) = ( 0.0000000 0.0000000 0.1304360), wk = 0.0033898 k( 108) = ( 0.0000000 0.0000000 0.1467405), wk = 0.0033898 k( 109) = ( 0.0000000 0.0000000 0.1630450), wk = 0.0033898 k( 110) = ( 0.0000000 0.0000000 0.1793495), wk = 0.0033898 k( 111) = ( 0.0000000 0.0000000 0.1956540), wk = 0.0033898 k( 112) = ( 0.0000000 0.0000000 0.2119585), wk = 0.0033898 k( 113) = ( 0.0000000 0.0000000 0.2282630), wk = 0.0033898 k( 114) = ( 0.0000000 0.0000000 0.2445674), wk = 0.0033898 k( 115) = ( 0.0000000 0.0000000 0.2608719), wk = 0.0033898 k( 116) = ( 0.0000000 0.0000000 0.2771764), wk = 0.0033898 k( 117) = ( 0.0000000 0.0000000 0.2934809), wk = 0.0033898 k( 118) = ( 0.0000000 0.0000000 0.3097854), wk = 0.0033898 k( 119) = ( 0.0000000 0.0000000 0.3260899), wk = 0.0033898 k( 120) = ( 0.0000000 0.0000000 0.3423944), wk = 0.0033898 k( 121) = ( 0.0000000 0.0000000 0.3586989), wk = 0.0033898 k( 122) = ( 0.0000000 0.0000000 0.3750034), wk = 0.0033898 k( 123) = ( 0.0000000 0.0000000 0.3913079), wk = 0.0033898 k( 124) = ( 0.0000000 0.0000000 0.4076124), wk = 0.0033898 k( 125) = ( 0.0000000 0.0000000 0.4239169), wk = 0.0033898 k( 126) = ( 0.0000000 0.0000000 0.4402214), wk = 0.0033898 k( 127) = ( 0.0000000 0.0000000 0.4565259), wk = 0.0033898 k( 128) = ( 0.0000000 0.0000000 0.4728304), wk = 0.0033898 k( 129) = ( 0.0000000 0.0000000 0.4891349), wk = 0.0033898 k( 130) = ( 0.0000000 0.0000000 0.5054394), wk = 0.0033898 k( 131) = ( 0.0000000 0.0000000 0.5217439), wk = 0.0033898 k( 132) = ( 0.0000000 0.0000000 0.5217439), wk = 0.0033898 k( 133) = ( 0.0142857 0.0082479 0.5217439), wk = 0.0033898 k( 134) = ( 0.0285714 0.0164957 0.5217439), wk = 0.0033898 k( 135) = ( 0.0428571 0.0247436 0.5217439), wk = 0.0033898 k( 136) = ( 0.0571429 0.0329914 0.5217439), wk = 0.0033898 k( 137) = ( 0.0714286 0.0412393 0.5217439), wk = 0.0033898 k( 138) = ( 0.0857143 0.0494872 0.5217439), wk = 0.0033898 k( 139) = ( 0.1000000 0.0577350 0.5217439), wk = 0.0033898 k( 140) = ( 0.1142857 0.0659829 0.5217439), wk = 0.0033898 k( 141) = ( 0.1285714 0.0742307 0.5217439), wk = 0.0033898 k( 142) = ( 0.1428571 0.0824786 0.5217439), wk = 0.0033898 k( 143) = ( 0.1571429 0.0907265 0.5217439), wk = 0.0033898 k( 144) = ( 0.1714286 0.0989743 0.5217439), wk = 0.0033898 k( 145) = ( 0.1857143 0.1072222 0.5217439), wk = 0.0033898 k( 146) = ( 0.2000000 0.1154701 0.5217439), wk = 0.0033898 k( 147) = ( 0.2142857 0.1237179 0.5217439), wk = 0.0033898 k( 148) = ( 0.2285714 0.1319658 0.5217439), wk = 0.0033898 k( 149) = ( 0.2428571 0.1402136 0.5217439), wk = 0.0033898 k( 150) = ( 0.2571429 0.1484615 0.5217439), wk = 0.0033898 k( 151) = ( 0.2714286 0.1567094 0.5217439), wk = 0.0033898 k( 152) = ( 0.2857143 0.1649572 0.5217439), wk = 0.0033898 k( 153) = ( 0.3000000 0.1732051 0.5217439), wk = 0.0033898 k( 154) = ( 0.3142857 0.1814529 0.5217439), wk = 0.0033898 k( 155) = ( 0.3285714 0.1897008 0.5217439), wk = 0.0033898 k( 156) = ( 0.3428571 0.1979487 0.5217439), wk = 0.0033898 k( 157) = ( 0.3571429 0.2061965 0.5217439), wk = 0.0033898 k( 158) = ( 0.3714286 0.2144444 0.5217439), wk = 0.0033898 k( 159) = ( 0.3857143 0.2226922 0.5217439), wk = 0.0033898 k( 160) = ( 0.4000000 0.2309401 0.5217439), wk = 0.0033898 k( 161) = ( 0.4142857 0.2391880 0.5217439), wk = 0.0033898 k( 162) = ( 0.4285714 0.2474358 0.5217439), wk = 0.0033898 k( 163) = ( 0.4428571 0.2556837 0.5217439), wk = 0.0033898 k( 164) = ( 0.4571429 0.2639316 0.5217439), wk = 0.0033898 k( 165) = ( 0.4714286 0.2721794 0.5217439), wk = 0.0033898 k( 166) = ( 0.4857143 0.2804273 0.5217439), wk = 0.0033898 k( 167) = ( 0.5000000 0.2886751 0.5217439), wk = 0.0033898 k( 168) = ( 0.5000000 0.2886751 0.5217439), wk = 0.0033898 k( 169) = ( 0.4916667 0.3031089 0.5217439), wk = 0.0033898 k( 170) = ( 0.4833333 0.3175426 0.5217439), wk = 0.0033898 k( 171) = ( 0.4750000 0.3319764 0.5217439), wk = 0.0033898 k( 172) = ( 0.4666667 0.3464102 0.5217439), wk = 0.0033898 k( 173) = ( 0.4583333 0.3608439 0.5217439), wk = 0.0033898 k( 174) = ( 0.4500000 0.3752777 0.5217439), wk = 0.0033898 k( 175) = ( 0.4416667 0.3897114 0.5217439), wk = 0.0033898 k( 176) = ( 0.4333333 0.4041452 0.5217439), wk = 0.0033898 k( 177) = ( 0.4250000 0.4185789 0.5217439), wk = 0.0033898 k( 178) = ( 0.4166667 0.4330127 0.5217439), wk = 0.0033898 k( 179) = ( 0.4083333 0.4474465 0.5217439), wk = 0.0033898 k( 180) = ( 0.4000000 0.4618802 0.5217439), wk = 0.0033898 k( 181) = ( 0.3916667 0.4763140 0.5217439), wk = 0.0033898 k( 182) = ( 0.3833333 0.4907477 0.5217439), wk = 0.0033898 k( 183) = ( 0.3750000 0.5051815 0.5217439), wk = 0.0033898 k( 184) = ( 0.3666667 0.5196152 0.5217439), wk = 0.0033898 k( 185) = ( 0.3583333 0.5340490 0.5217439), wk = 0.0033898 k( 186) = ( 0.3500000 0.5484828 0.5217439), wk = 0.0033898 k( 187) = ( 0.3416667 0.5629165 0.5217439), wk = 0.0033898 k( 188) = ( 0.3333333 0.5773503 0.5217439), wk = 0.0033898 k( 189) = ( 0.3333333 0.5773503 0.5217439), wk = 0.0033898 k( 190) = ( 0.3250000 0.5629165 0.5217439), wk = 0.0033898 k( 191) = ( 0.3166667 0.5484828 0.5217439), wk = 0.0033898 k( 192) = ( 0.3083333 0.5340490 0.5217439), wk = 0.0033898 k( 193) = ( 0.3000000 0.5196152 0.5217439), wk = 0.0033898 k( 194) = ( 0.2916667 0.5051815 0.5217439), wk = 0.0033898 k( 195) = ( 0.2833333 0.4907477 0.5217439), wk = 0.0033898 k( 196) = ( 0.2750000 0.4763140 0.5217439), wk = 0.0033898 k( 197) = ( 0.2666667 0.4618802 0.5217439), wk = 0.0033898 k( 198) = ( 0.2583333 0.4474465 0.5217439), wk = 0.0033898 k( 199) = ( 0.2500000 0.4330127 0.5217439), wk = 0.0033898 k( 200) = ( 0.2416667 0.4185790 0.5217439), wk = 0.0033898 k( 201) = ( 0.2333333 0.4041452 0.5217439), wk = 0.0033898 k( 202) = ( 0.2250000 0.3897114 0.5217439), wk = 0.0033898 k( 203) = ( 0.2166667 0.3752777 0.5217439), wk = 0.0033898 k( 204) = ( 0.2083333 0.3608439 0.5217439), wk = 0.0033898 k( 205) = ( 0.2000000 0.3464102 0.5217439), wk = 0.0033898 k( 206) = ( 0.1916667 0.3319764 0.5217439), wk = 0.0033898 k( 207) = ( 0.1833333 0.3175426 0.5217439), wk = 0.0033898 k( 208) = ( 0.1750000 0.3031089 0.5217439), wk = 0.0033898 k( 209) = ( 0.1666667 0.2886751 0.5217439), wk = 0.0033898 k( 210) = ( 0.1583333 0.2742414 0.5217439), wk = 0.0033898 k( 211) = ( 0.1500000 0.2598076 0.5217439), wk = 0.0033898 k( 212) = ( 0.1416667 0.2453739 0.5217439), wk = 0.0033898 k( 213) = ( 0.1333333 0.2309401 0.5217439), wk = 0.0033898 k( 214) = ( 0.1250000 0.2165064 0.5217439), wk = 0.0033898 k( 215) = ( 0.1166667 0.2020726 0.5217439), wk = 0.0033898 k( 216) = ( 0.1083333 0.1876388 0.5217439), wk = 0.0033898 k( 217) = ( 0.1000000 0.1732051 0.5217439), wk = 0.0033898 k( 218) = ( 0.0916667 0.1587713 0.5217439), wk = 0.0033898 k( 219) = ( 0.0833333 0.1443376 0.5217439), wk = 0.0033898 k( 220) = ( 0.0750000 0.1299038 0.5217439), wk = 0.0033898 k( 221) = ( 0.0666667 0.1154701 0.5217439), wk = 0.0033898 k( 222) = ( 0.0583333 0.1010363 0.5217439), wk = 0.0033898 k( 223) = ( 0.0500000 0.0866025 0.5217439), wk = 0.0033898 k( 224) = ( 0.0416667 0.0721688 0.5217439), wk = 0.0033898 k( 225) = ( 0.0333333 0.0577350 0.5217439), wk = 0.0033898 k( 226) = ( 0.0250000 0.0433013 0.5217439), wk = 0.0033898 k( 227) = ( 0.0166667 0.0288675 0.5217439), wk = 0.0033898 k( 228) = ( 0.0083333 0.0144338 0.5217439), wk = 0.0033898 k( 229) = ( 0.0000000 0.0000000 0.5217439), wk = 0.0033898 k( 230) = ( 0.5000000 0.2886751 0.5217439), wk = 0.0033898 k( 231) = ( 0.5000000 0.2886751 0.5054394), wk = 0.0033898 k( 232) = ( 0.5000000 0.2886751 0.4891349), wk = 0.0033898 k( 233) = ( 0.5000000 0.2886751 0.4728304), wk = 0.0033898 k( 234) = ( 0.5000000 0.2886751 0.4565259), wk = 0.0033898 k( 235) = ( 0.5000000 0.2886751 0.4402214), wk = 0.0033898 k( 236) = ( 0.5000000 0.2886751 0.4239169), wk = 0.0033898 k( 237) = ( 0.5000000 0.2886751 0.4076124), wk = 0.0033898 k( 238) = ( 0.5000000 0.2886751 0.3913079), wk = 0.0033898 k( 239) = ( 0.5000000 0.2886751 0.3750034), wk = 0.0033898 k( 240) = ( 0.5000000 0.2886751 0.3586989), wk = 0.0033898 k( 241) = ( 0.5000000 0.2886751 0.3423944), wk = 0.0033898 k( 242) = ( 0.5000000 0.2886751 0.3260899), wk = 0.0033898 k( 243) = ( 0.5000000 0.2886751 0.3097854), wk = 0.0033898 k( 244) = ( 0.5000000 0.2886751 0.2934809), wk = 0.0033898 k( 245) = ( 0.5000000 0.2886751 0.2771764), wk = 0.0033898 k( 246) = ( 0.5000000 0.2886751 0.2608719), wk = 0.0033898 k( 247) = ( 0.5000000 0.2886751 0.2445674), wk = 0.0033898 k( 248) = ( 0.5000000 0.2886751 0.2282630), wk = 0.0033898 k( 249) = ( 0.5000000 0.2886751 0.2119585), wk = 0.0033898 k( 250) = ( 0.5000000 0.2886751 0.1956540), wk = 0.0033898 k( 251) = ( 0.5000000 0.2886751 0.1793495), wk = 0.0033898 k( 252) = ( 0.5000000 0.2886751 0.1630450), wk = 0.0033898 k( 253) = ( 0.5000000 0.2886751 0.1467405), wk = 0.0033898 k( 254) = ( 0.5000000 0.2886751 0.1304360), wk = 0.0033898 k( 255) = ( 0.5000000 0.2886751 0.1141315), wk = 0.0033898 k( 256) = ( 0.5000000 0.2886751 0.0978270), wk = 0.0033898 k( 257) = ( 0.5000000 0.2886751 0.0815225), wk = 0.0033898 k( 258) = ( 0.5000000 0.2886751 0.0652180), wk = 0.0033898 k( 259) = ( 0.5000000 0.2886751 0.0489135), wk = 0.0033898 k( 260) = ( 0.5000000 0.2886751 0.0326090), wk = 0.0033898 k( 261) = ( 0.5000000 0.2886751 0.0163045), wk = 0.0033898 k( 262) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033898 k( 263) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033898 k( 264) = ( 0.3333333 0.5773503 0.0163045), wk = 0.0033898 k( 265) = ( 0.3333333 0.5773503 0.0326090), wk = 0.0033898 k( 266) = ( 0.3333333 0.5773503 0.0489135), wk = 0.0033898 k( 267) = ( 0.3333333 0.5773503 0.0652180), wk = 0.0033898 k( 268) = ( 0.3333333 0.5773503 0.0815225), wk = 0.0033898 k( 269) = ( 0.3333333 0.5773503 0.0978270), wk = 0.0033898 k( 270) = ( 0.3333333 0.5773503 0.1141315), wk = 0.0033898 k( 271) = ( 0.3333333 0.5773503 0.1304360), wk = 0.0033898 k( 272) = ( 0.3333333 0.5773503 0.1467405), wk = 0.0033898 k( 273) = ( 0.3333333 0.5773503 0.1630450), wk = 0.0033898 k( 274) = ( 0.3333333 0.5773503 0.1793495), wk = 0.0033898 k( 275) = ( 0.3333333 0.5773503 0.1956540), wk = 0.0033898 k( 276) = ( 0.3333333 0.5773503 0.2119585), wk = 0.0033898 k( 277) = ( 0.3333333 0.5773503 0.2282630), wk = 0.0033898 k( 278) = ( 0.3333333 0.5773503 0.2445674), wk = 0.0033898 k( 279) = ( 0.3333333 0.5773503 0.2608719), wk = 0.0033898 k( 280) = ( 0.3333333 0.5773503 0.2771764), wk = 0.0033898 k( 281) = ( 0.3333333 0.5773503 0.2934809), wk = 0.0033898 k( 282) = ( 0.3333333 0.5773503 0.3097854), wk = 0.0033898 k( 283) = ( 0.3333333 0.5773503 0.3260899), wk = 0.0033898 k( 284) = ( 0.3333333 0.5773503 0.3423944), wk = 0.0033898 k( 285) = ( 0.3333333 0.5773503 0.3586989), wk = 0.0033898 k( 286) = ( 0.3333333 0.5773503 0.3750034), wk = 0.0033898 k( 287) = ( 0.3333333 0.5773503 0.3913079), wk = 0.0033898 k( 288) = ( 0.3333333 0.5773503 0.4076124), wk = 0.0033898 k( 289) = ( 0.3333333 0.5773503 0.4239169), wk = 0.0033898 k( 290) = ( 0.3333333 0.5773503 0.4402214), wk = 0.0033898 k( 291) = ( 0.3333333 0.5773503 0.4565259), wk = 0.0033898 k( 292) = ( 0.3333333 0.5773503 0.4728304), wk = 0.0033898 k( 293) = ( 0.3333333 0.5773503 0.4891349), wk = 0.0033898 k( 294) = ( 0.3333333 0.5773503 0.5054394), wk = 0.0033898 k( 295) = ( 0.3333333 0.5773503 0.5217439), wk = 0.0033898 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033898 k( 2) = ( 0.0142857 -0.0000000 -0.0000000), wk = 0.0033898 k( 3) = ( 0.0285714 -0.0000000 -0.0000000), wk = 0.0033898 k( 4) = ( 0.0428571 -0.0000000 -0.0000000), wk = 0.0033898 k( 5) = ( 0.0571429 -0.0000000 -0.0000000), wk = 0.0033898 k( 6) = ( 0.0714286 -0.0000000 0.0000000), wk = 0.0033898 k( 7) = ( 0.0857143 -0.0000000 -0.0000000), wk = 0.0033898 k( 8) = ( 0.1000000 -0.0000000 -0.0000000), wk = 0.0033898 k( 9) = ( 0.1142857 -0.0000000 -0.0000000), wk = 0.0033898 k( 10) = ( 0.1285714 -0.0000000 -0.0000000), wk = 0.0033898 k( 11) = ( 0.1428571 -0.0000000 0.0000000), wk = 0.0033898 k( 12) = ( 0.1571429 -0.0000000 -0.0000000), wk = 0.0033898 k( 13) = ( 0.1714286 -0.0000000 -0.0000000), wk = 0.0033898 k( 14) = ( 0.1857143 -0.0000000 -0.0000000), wk = 0.0033898 k( 15) = ( 0.2000000 -0.0000000 -0.0000000), wk = 0.0033898 k( 16) = ( 0.2142857 -0.0000000 -0.0000000), wk = 0.0033898 k( 17) = ( 0.2285714 -0.0000000 -0.0000000), wk = 0.0033898 k( 18) = ( 0.2428571 -0.0000000 -0.0000000), wk = 0.0033898 k( 19) = ( 0.2571429 -0.0000000 -0.0000000), wk = 0.0033898 k( 20) = ( 0.2714286 -0.0000000 -0.0000000), wk = 0.0033898 k( 21) = ( 0.2857143 -0.0000000 -0.0000000), wk = 0.0033898 k( 22) = ( 0.3000000 -0.0000000 -0.0000000), wk = 0.0033898 k( 23) = ( 0.3142857 -0.0000000 0.0000000), wk = 0.0033898 k( 24) = ( 0.3285714 -0.0000000 0.0000000), wk = 0.0033898 k( 25) = ( 0.3428571 -0.0000000 -0.0000000), wk = 0.0033898 k( 26) = ( 0.3571429 -0.0000000 0.0000000), wk = 0.0033898 k( 27) = ( 0.3714286 -0.0000000 0.0000000), wk = 0.0033898 k( 28) = ( 0.3857143 -0.0000000 -0.0000000), wk = 0.0033898 k( 29) = ( 0.4000000 -0.0000000 -0.0000000), wk = 0.0033898 k( 30) = ( 0.4142857 -0.0000000 -0.0000000), wk = 0.0033898 k( 31) = ( 0.4285714 -0.0000000 -0.0000000), wk = 0.0033898 k( 32) = ( 0.4428571 -0.0000000 -0.0000000), wk = 0.0033898 k( 33) = ( 0.4571429 -0.0000000 -0.0000000), wk = 0.0033898 k( 34) = ( 0.4714286 -0.0000000 -0.0000000), wk = 0.0033898 k( 35) = ( 0.4857143 -0.0000000 -0.0000000), wk = 0.0033898 k( 36) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0033898 k( 37) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0033898 k( 38) = ( 0.4916667 0.0166667 -0.0000000), wk = 0.0033898 k( 39) = ( 0.4833333 0.0333333 -0.0000000), wk = 0.0033898 k( 40) = ( 0.4750000 0.0500000 -0.0000000), wk = 0.0033898 k( 41) = ( 0.4666667 0.0666667 -0.0000000), wk = 0.0033898 k( 42) = ( 0.4583333 0.0833333 -0.0000000), wk = 0.0033898 k( 43) = ( 0.4500000 0.1000000 -0.0000000), wk = 0.0033898 k( 44) = ( 0.4416667 0.1166667 -0.0000000), wk = 0.0033898 k( 45) = ( 0.4333333 0.1333333 -0.0000000), wk = 0.0033898 k( 46) = ( 0.4250000 0.1500000 -0.0000000), wk = 0.0033898 k( 47) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0033898 k( 48) = ( 0.4083333 0.1833333 -0.0000000), wk = 0.0033898 k( 49) = ( 0.4000000 0.2000000 -0.0000000), wk = 0.0033898 k( 50) = ( 0.3916667 0.2166667 0.0000000), wk = 0.0033898 k( 51) = ( 0.3833333 0.2333333 -0.0000000), wk = 0.0033898 k( 52) = ( 0.3750000 0.2500000 -0.0000000), wk = 0.0033898 k( 53) = ( 0.3666667 0.2666667 0.0000000), wk = 0.0033898 k( 54) = ( 0.3583333 0.2833333 -0.0000000), wk = 0.0033898 k( 55) = ( 0.3500000 0.3000000 -0.0000000), wk = 0.0033898 k( 56) = ( 0.3416667 0.3166667 -0.0000000), wk = 0.0033898 k( 57) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0033898 k( 58) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0033898 k( 59) = ( 0.3250000 0.3250000 -0.0000000), wk = 0.0033898 k( 60) = ( 0.3166667 0.3166667 -0.0000000), wk = 0.0033898 k( 61) = ( 0.3083333 0.3083333 -0.0000000), wk = 0.0033898 k( 62) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0033898 k( 63) = ( 0.2916667 0.2916667 0.0000000), wk = 0.0033898 k( 64) = ( 0.2833333 0.2833333 0.0000000), wk = 0.0033898 k( 65) = ( 0.2750000 0.2750000 -0.0000000), wk = 0.0033898 k( 66) = ( 0.2666667 0.2666667 0.0000000), wk = 0.0033898 k( 67) = ( 0.2583333 0.2583333 -0.0000000), wk = 0.0033898 k( 68) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0033898 k( 69) = ( 0.2416667 0.2416667 -0.0000000), wk = 0.0033898 k( 70) = ( 0.2333333 0.2333333 -0.0000000), wk = 0.0033898 k( 71) = ( 0.2250000 0.2250000 -0.0000000), wk = 0.0033898 k( 72) = ( 0.2166667 0.2166667 -0.0000000), wk = 0.0033898 k( 73) = ( 0.2083333 0.2083333 -0.0000000), wk = 0.0033898 k( 74) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0033898 k( 75) = ( 0.1916667 0.1916667 -0.0000000), wk = 0.0033898 k( 76) = ( 0.1833333 0.1833333 -0.0000000), wk = 0.0033898 k( 77) = ( 0.1750000 0.1750000 -0.0000000), wk = 0.0033898 k( 78) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0033898 k( 79) = ( 0.1583333 0.1583333 0.0000000), wk = 0.0033898 k( 80) = ( 0.1500000 0.1500000 -0.0000000), wk = 0.0033898 k( 81) = ( 0.1416667 0.1416667 -0.0000000), wk = 0.0033898 k( 82) = ( 0.1333333 0.1333333 -0.0000000), wk = 0.0033898 k( 83) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0033898 k( 84) = ( 0.1166667 0.1166667 0.0000000), wk = 0.0033898 k( 85) = ( 0.1083333 0.1083333 -0.0000000), wk = 0.0033898 k( 86) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0033898 k( 87) = ( 0.0916667 0.0916667 0.0000000), wk = 0.0033898 k( 88) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0033898 k( 89) = ( 0.0750000 0.0750000 -0.0000000), wk = 0.0033898 k( 90) = ( 0.0666667 0.0666667 -0.0000000), wk = 0.0033898 k( 91) = ( 0.0583333 0.0583333 -0.0000000), wk = 0.0033898 k( 92) = ( 0.0500000 0.0500000 0.0000000), wk = 0.0033898 k( 93) = ( 0.0416667 0.0416667 0.0000000), wk = 0.0033898 k( 94) = ( 0.0333333 0.0333333 -0.0000000), wk = 0.0033898 k( 95) = ( 0.0250000 0.0250000 0.0000000), wk = 0.0033898 k( 96) = ( 0.0166667 0.0166667 -0.0000000), wk = 0.0033898 k( 97) = ( 0.0083333 0.0083333 0.0000000), wk = 0.0033898 k( 98) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033898 k( 99) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033898 k( 100) = ( 0.0000000 0.0000000 0.0156250), wk = 0.0033898 k( 101) = ( 0.0000000 0.0000000 0.0312500), wk = 0.0033898 k( 102) = ( 0.0000000 0.0000000 0.0468750), wk = 0.0033898 k( 103) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0033898 k( 104) = ( 0.0000000 0.0000000 0.0781250), wk = 0.0033898 k( 105) = ( 0.0000000 0.0000000 0.0937500), wk = 0.0033898 k( 106) = ( 0.0000000 0.0000000 0.1093750), wk = 0.0033898 k( 107) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0033898 k( 108) = ( 0.0000000 0.0000000 0.1406250), wk = 0.0033898 k( 109) = ( 0.0000000 0.0000000 0.1562500), wk = 0.0033898 k( 110) = ( 0.0000000 0.0000000 0.1718750), wk = 0.0033898 k( 111) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0033898 k( 112) = ( 0.0000000 0.0000000 0.2031250), wk = 0.0033898 k( 113) = ( 0.0000000 0.0000000 0.2187500), wk = 0.0033898 k( 114) = ( 0.0000000 0.0000000 0.2343750), wk = 0.0033898 k( 115) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0033898 k( 116) = ( 0.0000000 0.0000000 0.2656250), wk = 0.0033898 k( 117) = ( 0.0000000 0.0000000 0.2812500), wk = 0.0033898 k( 118) = ( 0.0000000 0.0000000 0.2968750), wk = 0.0033898 k( 119) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0033898 k( 120) = ( 0.0000000 0.0000000 0.3281250), wk = 0.0033898 k( 121) = ( 0.0000000 0.0000000 0.3437500), wk = 0.0033898 k( 122) = ( 0.0000000 0.0000000 0.3593750), wk = 0.0033898 k( 123) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0033898 k( 124) = ( 0.0000000 0.0000000 0.3906250), wk = 0.0033898 k( 125) = ( 0.0000000 0.0000000 0.4062500), wk = 0.0033898 k( 126) = ( 0.0000000 0.0000000 0.4218750), wk = 0.0033898 k( 127) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0033898 k( 128) = ( 0.0000000 0.0000000 0.4531250), wk = 0.0033898 k( 129) = ( 0.0000000 0.0000000 0.4687500), wk = 0.0033898 k( 130) = ( 0.0000000 0.0000000 0.4843750), wk = 0.0033898 k( 131) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033898 k( 132) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033898 k( 133) = ( 0.0142857 -0.0000000 0.5000000), wk = 0.0033898 k( 134) = ( 0.0285714 -0.0000000 0.5000000), wk = 0.0033898 k( 135) = ( 0.0428571 -0.0000000 0.5000000), wk = 0.0033898 k( 136) = ( 0.0571429 -0.0000000 0.5000000), wk = 0.0033898 k( 137) = ( 0.0714286 -0.0000000 0.5000000), wk = 0.0033898 k( 138) = ( 0.0857143 -0.0000000 0.5000000), wk = 0.0033898 k( 139) = ( 0.1000000 -0.0000000 0.5000000), wk = 0.0033898 k( 140) = ( 0.1142857 -0.0000000 0.5000000), wk = 0.0033898 k( 141) = ( 0.1285714 -0.0000000 0.5000000), wk = 0.0033898 k( 142) = ( 0.1428571 -0.0000000 0.5000000), wk = 0.0033898 k( 143) = ( 0.1571429 -0.0000000 0.5000000), wk = 0.0033898 k( 144) = ( 0.1714286 -0.0000000 0.5000000), wk = 0.0033898 k( 145) = ( 0.1857143 -0.0000000 0.5000000), wk = 0.0033898 k( 146) = ( 0.2000000 -0.0000000 0.5000000), wk = 0.0033898 k( 147) = ( 0.2142857 -0.0000000 0.5000000), wk = 0.0033898 k( 148) = ( 0.2285714 -0.0000000 0.5000000), wk = 0.0033898 k( 149) = ( 0.2428571 -0.0000000 0.5000000), wk = 0.0033898 k( 150) = ( 0.2571429 -0.0000000 0.5000000), wk = 0.0033898 k( 151) = ( 0.2714286 -0.0000000 0.5000000), wk = 0.0033898 k( 152) = ( 0.2857143 -0.0000000 0.5000000), wk = 0.0033898 k( 153) = ( 0.3000000 -0.0000000 0.5000000), wk = 0.0033898 k( 154) = ( 0.3142857 -0.0000000 0.5000000), wk = 0.0033898 k( 155) = ( 0.3285714 -0.0000000 0.5000000), wk = 0.0033898 k( 156) = ( 0.3428571 -0.0000000 0.5000000), wk = 0.0033898 k( 157) = ( 0.3571429 -0.0000000 0.5000000), wk = 0.0033898 k( 158) = ( 0.3714286 -0.0000000 0.5000000), wk = 0.0033898 k( 159) = ( 0.3857143 -0.0000000 0.5000000), wk = 0.0033898 k( 160) = ( 0.4000000 -0.0000000 0.5000000), wk = 0.0033898 k( 161) = ( 0.4142857 -0.0000000 0.5000000), wk = 0.0033898 k( 162) = ( 0.4285714 -0.0000000 0.5000000), wk = 0.0033898 k( 163) = ( 0.4428571 -0.0000000 0.5000000), wk = 0.0033898 k( 164) = ( 0.4571429 -0.0000000 0.5000000), wk = 0.0033898 k( 165) = ( 0.4714286 -0.0000000 0.5000000), wk = 0.0033898 k( 166) = ( 0.4857143 -0.0000000 0.5000000), wk = 0.0033898 k( 167) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0033898 k( 168) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0033898 k( 169) = ( 0.4916667 0.0166667 0.5000000), wk = 0.0033898 k( 170) = ( 0.4833333 0.0333333 0.5000000), wk = 0.0033898 k( 171) = ( 0.4750000 0.0500000 0.5000000), wk = 0.0033898 k( 172) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0033898 k( 173) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0033898 k( 174) = ( 0.4500000 0.1000000 0.5000000), wk = 0.0033898 k( 175) = ( 0.4416667 0.1166667 0.5000000), wk = 0.0033898 k( 176) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0033898 k( 177) = ( 0.4250000 0.1500000 0.5000000), wk = 0.0033898 k( 178) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0033898 k( 179) = ( 0.4083333 0.1833333 0.5000000), wk = 0.0033898 k( 180) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0033898 k( 181) = ( 0.3916667 0.2166667 0.5000000), wk = 0.0033898 k( 182) = ( 0.3833333 0.2333333 0.5000000), wk = 0.0033898 k( 183) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0033898 k( 184) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0033898 k( 185) = ( 0.3583333 0.2833333 0.5000000), wk = 0.0033898 k( 186) = ( 0.3500000 0.3000000 0.5000000), wk = 0.0033898 k( 187) = ( 0.3416667 0.3166667 0.5000000), wk = 0.0033898 k( 188) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033898 k( 189) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033898 k( 190) = ( 0.3250000 0.3250000 0.5000000), wk = 0.0033898 k( 191) = ( 0.3166667 0.3166667 0.5000000), wk = 0.0033898 k( 192) = ( 0.3083333 0.3083333 0.5000000), wk = 0.0033898 k( 193) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0033898 k( 194) = ( 0.2916667 0.2916667 0.5000000), wk = 0.0033898 k( 195) = ( 0.2833333 0.2833333 0.5000000), wk = 0.0033898 k( 196) = ( 0.2750000 0.2750000 0.5000000), wk = 0.0033898 k( 197) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0033898 k( 198) = ( 0.2583333 0.2583333 0.5000000), wk = 0.0033898 k( 199) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0033898 k( 200) = ( 0.2416667 0.2416667 0.5000000), wk = 0.0033898 k( 201) = ( 0.2333333 0.2333333 0.5000000), wk = 0.0033898 k( 202) = ( 0.2250000 0.2250000 0.5000000), wk = 0.0033898 k( 203) = ( 0.2166667 0.2166667 0.5000000), wk = 0.0033898 k( 204) = ( 0.2083333 0.2083333 0.5000000), wk = 0.0033898 k( 205) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0033898 k( 206) = ( 0.1916667 0.1916667 0.5000000), wk = 0.0033898 k( 207) = ( 0.1833333 0.1833333 0.5000000), wk = 0.0033898 k( 208) = ( 0.1750000 0.1750000 0.5000000), wk = 0.0033898 k( 209) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0033898 k( 210) = ( 0.1583333 0.1583333 0.5000000), wk = 0.0033898 k( 211) = ( 0.1500000 0.1500000 0.5000000), wk = 0.0033898 k( 212) = ( 0.1416667 0.1416667 0.5000000), wk = 0.0033898 k( 213) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0033898 k( 214) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0033898 k( 215) = ( 0.1166667 0.1166667 0.5000000), wk = 0.0033898 k( 216) = ( 0.1083333 0.1083333 0.5000000), wk = 0.0033898 k( 217) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0033898 k( 218) = ( 0.0916667 0.0916667 0.5000000), wk = 0.0033898 k( 219) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0033898 k( 220) = ( 0.0750000 0.0750000 0.5000000), wk = 0.0033898 k( 221) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0033898 k( 222) = ( 0.0583333 0.0583333 0.5000000), wk = 0.0033898 k( 223) = ( 0.0500000 0.0500000 0.5000000), wk = 0.0033898 k( 224) = ( 0.0416667 0.0416667 0.5000000), wk = 0.0033898 k( 225) = ( 0.0333333 0.0333333 0.5000000), wk = 0.0033898 k( 226) = ( 0.0250000 0.0250000 0.5000000), wk = 0.0033898 k( 227) = ( 0.0166667 0.0166667 0.5000000), wk = 0.0033898 k( 228) = ( 0.0083333 0.0083333 0.5000000), wk = 0.0033898 k( 229) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033898 k( 230) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0033898 k( 231) = ( 0.5000000 -0.0000000 0.4843750), wk = 0.0033898 k( 232) = ( 0.5000000 -0.0000000 0.4687500), wk = 0.0033898 k( 233) = ( 0.5000000 -0.0000000 0.4531250), wk = 0.0033898 k( 234) = ( 0.5000000 -0.0000000 0.4375000), wk = 0.0033898 k( 235) = ( 0.5000000 -0.0000000 0.4218750), wk = 0.0033898 k( 236) = ( 0.5000000 -0.0000000 0.4062500), wk = 0.0033898 k( 237) = ( 0.5000000 -0.0000000 0.3906250), wk = 0.0033898 k( 238) = ( 0.5000000 -0.0000000 0.3750000), wk = 0.0033898 k( 239) = ( 0.5000000 -0.0000000 0.3593750), wk = 0.0033898 k( 240) = ( 0.5000000 -0.0000000 0.3437500), wk = 0.0033898 k( 241) = ( 0.5000000 -0.0000000 0.3281250), wk = 0.0033898 k( 242) = ( 0.5000000 -0.0000000 0.3125000), wk = 0.0033898 k( 243) = ( 0.5000000 -0.0000000 0.2968750), wk = 0.0033898 k( 244) = ( 0.5000000 -0.0000000 0.2812500), wk = 0.0033898 k( 245) = ( 0.5000000 -0.0000000 0.2656250), wk = 0.0033898 k( 246) = ( 0.5000000 -0.0000000 0.2500000), wk = 0.0033898 k( 247) = ( 0.5000000 -0.0000000 0.2343750), wk = 0.0033898 k( 248) = ( 0.5000000 -0.0000000 0.2187500), wk = 0.0033898 k( 249) = ( 0.5000000 -0.0000000 0.2031250), wk = 0.0033898 k( 250) = ( 0.5000000 -0.0000000 0.1875000), wk = 0.0033898 k( 251) = ( 0.5000000 -0.0000000 0.1718750), wk = 0.0033898 k( 252) = ( 0.5000000 -0.0000000 0.1562500), wk = 0.0033898 k( 253) = ( 0.5000000 -0.0000000 0.1406250), wk = 0.0033898 k( 254) = ( 0.5000000 -0.0000000 0.1250000), wk = 0.0033898 k( 255) = ( 0.5000000 -0.0000000 0.1093750), wk = 0.0033898 k( 256) = ( 0.5000000 -0.0000000 0.0937500), wk = 0.0033898 k( 257) = ( 0.5000000 -0.0000000 0.0781250), wk = 0.0033898 k( 258) = ( 0.5000000 -0.0000000 0.0625000), wk = 0.0033898 k( 259) = ( 0.5000000 -0.0000000 0.0468750), wk = 0.0033898 k( 260) = ( 0.5000000 -0.0000000 0.0312500), wk = 0.0033898 k( 261) = ( 0.5000000 -0.0000000 0.0156250), wk = 0.0033898 k( 262) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0033898 k( 263) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0033898 k( 264) = ( 0.3333333 0.3333333 0.0156250), wk = 0.0033898 k( 265) = ( 0.3333333 0.3333333 0.0312500), wk = 0.0033898 k( 266) = ( 0.3333333 0.3333333 0.0468750), wk = 0.0033898 k( 267) = ( 0.3333333 0.3333333 0.0625000), wk = 0.0033898 k( 268) = ( 0.3333333 0.3333333 0.0781250), wk = 0.0033898 k( 269) = ( 0.3333333 0.3333333 0.0937500), wk = 0.0033898 k( 270) = ( 0.3333333 0.3333333 0.1093750), wk = 0.0033898 k( 271) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0033898 k( 272) = ( 0.3333333 0.3333333 0.1406250), wk = 0.0033898 k( 273) = ( 0.3333333 0.3333333 0.1562500), wk = 0.0033898 k( 274) = ( 0.3333333 0.3333333 0.1718750), wk = 0.0033898 k( 275) = ( 0.3333333 0.3333333 0.1875000), wk = 0.0033898 k( 276) = ( 0.3333333 0.3333333 0.2031250), wk = 0.0033898 k( 277) = ( 0.3333333 0.3333333 0.2187500), wk = 0.0033898 k( 278) = ( 0.3333333 0.3333333 0.2343750), wk = 0.0033898 k( 279) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0033898 k( 280) = ( 0.3333333 0.3333333 0.2656250), wk = 0.0033898 k( 281) = ( 0.3333333 0.3333333 0.2812500), wk = 0.0033898 k( 282) = ( 0.3333333 0.3333333 0.2968750), wk = 0.0033898 k( 283) = ( 0.3333333 0.3333333 0.3125000), wk = 0.0033898 k( 284) = ( 0.3333333 0.3333333 0.3281250), wk = 0.0033898 k( 285) = ( 0.3333333 0.3333333 0.3437500), wk = 0.0033898 k( 286) = ( 0.3333333 0.3333333 0.3593750), wk = 0.0033898 k( 287) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0033898 k( 288) = ( 0.3333333 0.3333333 0.3906250), wk = 0.0033898 k( 289) = ( 0.3333333 0.3333333 0.4062500), wk = 0.0033898 k( 290) = ( 0.3333333 0.3333333 0.4218750), wk = 0.0033898 k( 291) = ( 0.3333333 0.3333333 0.4375000), wk = 0.0033898 k( 292) = ( 0.3333333 0.3333333 0.4531250), wk = 0.0033898 k( 293) = ( 0.3333333 0.3333333 0.4687500), wk = 0.0033898 k( 294) = ( 0.3333333 0.3333333 0.4843750), wk = 0.0033898 k( 295) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033898 Dense grid: 79339 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 35081 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.25 Mb ( 244, 68) NL pseudopotentials 0.35 Mb ( 122, 186) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 2205) G-vector shells 0.01 Mb ( 967) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.01 Mb ( 244, 272) Each subspace H/S matrix 0.07 Mb ( 68, 68) Each matrix 0.39 Mb ( 186, 2, 68) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./CaxSbO3x2.save/charge-density.dat Starting wfc are 80 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 5.3 secs Computing kpt #: 2 total cpu time spent up to now is 6.3 secs Computing kpt #: 3 total cpu time spent up to now is 7.3 secs Computing kpt #: 4 total cpu time spent up to now is 8.3 secs Computing kpt #: 5 total cpu time spent up to now is 9.6 secs Computing kpt #: 6 total cpu time spent up to now is 10.8 secs Computing kpt #: 7 total cpu time spent up to now is 12.0 secs Computing kpt #: 8 total cpu time spent up to now is 13.2 secs Computing kpt #: 9 total cpu time spent up to now is 14.4 secs Computing kpt #: 10 total cpu time spent up to now is 15.6 secs Computing kpt #: 11 total cpu time spent up to now is 19.5 secs Computing kpt #: 12 total cpu time spent up to now is 20.7 secs Computing kpt #: 13 total cpu time spent up to now is 21.8 secs Computing kpt #: 14 total cpu time spent up to now is 23.0 secs Computing kpt #: 15 total cpu time spent up to now is 24.2 secs Computing kpt #: 16 total cpu time spent up to now is 25.2 secs Computing kpt #: 17 total cpu time spent up to now is 26.3 secs Computing kpt #: 18 total cpu time spent up to now is 27.5 secs Computing kpt #: 19 total cpu time spent up to now is 28.6 secs Computing kpt #: 20 total cpu time spent up to now is 29.6 secs Computing kpt #: 21 total cpu time spent up to now is 30.7 secs Computing kpt #: 22 total cpu time spent up to now is 31.8 secs Computing kpt #: 23 total cpu time spent up to now is 32.9 secs Computing kpt #: 24 total cpu time spent up to now is 33.9 secs Computing kpt #: 25 total cpu time spent up to now is 35.0 secs Computing kpt #: 26 total cpu time spent up to now is 36.0 secs Computing kpt #: 27 total cpu time spent up to now is 37.0 secs Computing kpt #: 28 total cpu time spent up to now is 38.1 secs Computing kpt #: 29 total cpu time spent up to now is 39.1 secs Computing kpt #: 30 total cpu time spent up to now is 40.2 secs Computing kpt #: 31 total cpu time spent up to now is 41.2 secs Computing kpt #: 32 total cpu time spent up to now is 42.3 secs Computing kpt #: 33 total cpu time spent up to now is 43.3 secs Computing kpt #: 34 total cpu time spent up to now is 44.3 secs Computing kpt #: 35 total cpu time spent up to now is 45.4 secs Computing kpt #: 36 total cpu time spent up to now is 46.6 secs Computing kpt #: 37 total cpu time spent up to now is 48.1 secs Computing kpt #: 38 total cpu time spent up to now is 49.0 secs Computing kpt #: 39 total cpu time spent up to now is 50.1 secs Computing kpt #: 40 total cpu time spent up to now is 51.1 secs Computing kpt #: 41 total cpu time spent up to now is 52.2 secs Computing kpt #: 42 total cpu time spent up to now is 53.6 secs Computing kpt #: 43 total cpu time spent up to now is 54.7 secs Computing kpt #: 44 total cpu time spent up to now is 55.9 secs Computing kpt #: 45 total cpu time spent up to now is 57.0 secs Computing kpt #: 46 total cpu time spent up to now is 58.9 secs Computing kpt #: 47 total cpu time spent up to now is 60.1 secs Computing kpt #: 48 total cpu time spent up to now is 61.8 secs Computing kpt #: 49 total cpu time spent up to now is 63.1 secs Computing kpt #: 50 total cpu time spent up to now is 64.2 secs Computing kpt #: 51 total cpu time spent up to now is 65.3 secs Computing kpt #: 52 total cpu time spent up to now is 66.5 secs Computing kpt #: 53 total cpu time spent up to now is 67.7 secs Computing kpt #: 54 total cpu time spent up to now is 69.0 secs Computing kpt #: 55 total cpu time spent up to now is 70.6 secs Computing kpt #: 56 total cpu time spent up to now is 71.7 secs Computing kpt #: 57 total cpu time spent up to now is 72.9 secs Computing kpt #: 58 total cpu time spent up to now is 74.1 secs Computing kpt #: 59 total cpu time spent up to now is 75.3 secs Computing kpt #: 60 total cpu time spent up to now is 76.7 secs Computing kpt #: 61 total cpu time spent up to now is 79.2 secs Computing kpt #: 62 total cpu time spent up to now is 80.5 secs Computing kpt #: 63 total cpu time spent up to now is 81.9 secs Computing kpt #: 64 total cpu time spent up to now is 83.5 secs Computing kpt #: 65 total cpu time spent up to now is 84.9 secs Computing kpt #: 66 total cpu time spent up to now is 86.0 secs Computing kpt #: 67 total cpu time spent up to now is 87.3 secs Computing kpt #: 68 total cpu time spent up to now is 88.5 secs Computing kpt #: 69 total cpu time spent up to now is 89.8 secs Computing kpt #: 70 total cpu time spent up to now is 91.2 secs Computing kpt #: 71 total cpu time spent up to now is 92.4 secs Computing kpt #: 72 total cpu time spent up to now is 93.6 secs Computing kpt #: 73 total cpu time spent up to now is 94.6 secs Computing kpt #: 74 total cpu time spent up to now is 95.7 secs Computing kpt #: 75 total cpu time spent up to now is 96.9 secs Computing kpt #: 76 total cpu time spent up to now is 98.0 secs Computing kpt #: 77 total cpu time spent up to now is 99.2 secs Computing kpt #: 78 total cpu time spent up to now is 100.2 secs Computing kpt #: 79 total cpu time spent up to now is 101.3 secs Computing kpt #: 80 total cpu time spent up to now is 102.4 secs Computing kpt #: 81 total cpu time spent up to now is 103.6 secs Computing kpt #: 82 total cpu time spent up to now is 104.8 secs Computing kpt #: 83 total cpu time spent up to now is 105.9 secs Computing kpt #: 84 total cpu time spent up to now is 107.1 secs Computing kpt #: 85 total cpu time spent up to now is 108.2 secs Computing kpt #: 86 total cpu time spent up to now is 109.2 secs Computing kpt #: 87 total cpu time spent up to now is 110.4 secs Computing kpt #: 88 total cpu time spent up to now is 111.6 secs Computing kpt #: 89 total cpu time spent up to now is 112.7 secs Computing kpt #: 90 total cpu time spent up to now is 113.9 secs Computing kpt #: 91 total cpu time spent up to now is 115.1 secs Computing kpt #: 92 total cpu time spent up to now is 116.3 secs Computing kpt #: 93 total cpu time spent up to now is 117.5 secs Computing kpt #: 94 total cpu time spent up to now is 118.7 secs Computing kpt #: 95 total cpu time spent up to now is 119.9 secs Computing kpt #: 96 total cpu time spent up to now is 120.9 secs Computing kpt #: 97 total cpu time spent up to now is 121.9 secs Computing kpt #: 98 total cpu time spent up to now is 123.1 secs Computing kpt #: 99 total cpu time spent up to now is 124.4 secs Computing kpt #: 100 total cpu time spent up to now is 125.4 secs Computing kpt #: 101 total cpu time spent up to now is 126.4 secs Computing kpt #: 102 total cpu time spent up to now is 127.4 secs Computing kpt #: 103 total cpu time spent up to now is 128.4 secs Computing kpt #: 104 total cpu time spent up to now is 129.5 secs Computing kpt #: 105 total cpu time spent up to now is 130.5 secs Computing kpt #: 106 total cpu time spent up to now is 131.6 secs Computing kpt #: 107 total cpu time spent up to now is 132.7 secs Computing kpt #: 108 total cpu time spent up to now is 133.8 secs Computing kpt #: 109 total cpu time spent up to now is 134.8 secs Computing kpt #: 110 total cpu time spent up to now is 135.8 secs Computing kpt #: 111 total cpu time spent up to now is 136.9 secs Computing kpt #: 112 total cpu time spent up to now is 137.9 secs Computing kpt #: 113 total cpu time spent up to now is 138.9 secs Computing kpt #: 114 total cpu time spent up to now is 140.0 secs Computing kpt #: 115 total cpu time spent up to now is 141.0 secs Computing kpt #: 116 total cpu time spent up to now is 142.0 secs Computing kpt #: 117 total cpu time spent up to now is 143.1 secs Computing kpt #: 118 total cpu time spent up to now is 144.2 secs Computing kpt #: 119 total cpu time spent up to now is 145.3 secs Computing kpt #: 120 total cpu time spent up to now is 146.4 secs Computing kpt #: 121 total cpu time spent up to now is 147.6 secs Computing kpt #: 122 total cpu time spent up to now is 148.7 secs Computing kpt #: 123 total cpu time spent up to now is 149.7 secs Computing kpt #: 124 total cpu time spent up to now is 150.8 secs Computing kpt #: 125 total cpu time spent up to now is 151.8 secs Computing kpt #: 126 total cpu time spent up to now is 152.8 secs Computing kpt #: 127 total cpu time spent up to now is 153.8 secs Computing kpt #: 128 total cpu time spent up to now is 154.8 secs Computing kpt #: 129 total cpu time spent up to now is 155.8 secs Computing kpt #: 130 total cpu time spent up to now is 156.8 secs Computing kpt #: 131 total cpu time spent up to now is 158.0 secs Computing kpt #: 132 total cpu time spent up to now is 159.2 secs Computing kpt #: 133 total cpu time spent up to now is 160.2 secs Computing kpt #: 134 total cpu time spent up to now is 161.2 secs Computing kpt #: 135 total cpu time spent up to now is 162.2 secs Computing kpt #: 136 total cpu time spent up to now is 163.2 secs Computing kpt #: 137 total cpu time spent up to now is 164.2 secs Computing kpt #: 138 total cpu time spent up to now is 165.3 secs Computing kpt #: 139 total cpu time spent up to now is 166.3 secs Computing kpt #: 140 total cpu time spent up to now is 167.5 secs Computing kpt #: 141 total cpu time spent up to now is 168.6 secs Computing kpt #: 142 total cpu time spent up to now is 169.8 secs Computing kpt #: 143 total cpu time spent up to now is 171.1 secs Computing kpt #: 144 total cpu time spent up to now is 172.3 secs Computing kpt #: 145 total cpu time spent up to now is 173.5 secs Computing kpt #: 146 total cpu time spent up to now is 174.7 secs Computing kpt #: 147 total cpu time spent up to now is 175.9 secs Computing kpt #: 148 total cpu time spent up to now is 177.0 secs Computing kpt #: 149 total cpu time spent up to now is 178.3 secs Computing kpt #: 150 total cpu time spent up to now is 179.4 secs Computing kpt #: 151 total cpu time spent up to now is 180.6 secs Computing kpt #: 152 total cpu time spent up to now is 181.7 secs Computing kpt #: 153 total cpu time spent up to now is 183.0 secs Computing kpt #: 154 total cpu time spent up to now is 184.1 secs Computing kpt #: 155 total cpu time spent up to now is 185.1 secs Computing kpt #: 156 total cpu time spent up to now is 186.4 secs Computing kpt #: 157 total cpu time spent up to now is 187.4 secs Computing kpt #: 158 total cpu time spent up to now is 188.7 secs Computing kpt #: 159 total cpu time spent up to now is 189.8 secs Computing kpt #: 160 total cpu time spent up to now is 190.9 secs Computing kpt #: 161 total cpu time spent up to now is 192.1 secs Computing kpt #: 162 total cpu time spent up to now is 193.3 secs Computing kpt #: 163 total cpu time spent up to now is 194.4 secs Computing kpt #: 164 total cpu time spent up to now is 195.5 secs Computing kpt #: 165 total cpu time spent up to now is 196.5 secs Computing kpt #: 166 total cpu time spent up to now is 197.6 secs Computing kpt #: 167 total cpu time spent up to now is 198.9 secs Computing kpt #: 168 total cpu time spent up to now is 200.3 secs Computing kpt #: 169 total cpu time spent up to now is 201.3 secs Computing kpt #: 170 total cpu time spent up to now is 202.4 secs Computing kpt #: 171 total cpu time spent up to now is 203.4 secs Computing kpt #: 172 total cpu time spent up to now is 204.5 secs Computing kpt #: 173 total cpu time spent up to now is 205.6 secs Computing kpt #: 174 total cpu time spent up to now is 206.8 secs Computing kpt #: 175 total cpu time spent up to now is 208.0 secs Computing kpt #: 176 total cpu time spent up to now is 209.1 secs Computing kpt #: 177 total cpu time spent up to now is 210.3 secs Computing kpt #: 178 total cpu time spent up to now is 211.4 secs Computing kpt #: 179 total cpu time spent up to now is 212.5 secs Computing kpt #: 180 total cpu time spent up to now is 213.6 secs Computing kpt #: 181 total cpu time spent up to now is 214.7 secs Computing kpt #: 182 total cpu time spent up to now is 215.8 secs Computing kpt #: 183 total cpu time spent up to now is 216.9 secs Computing kpt #: 184 total cpu time spent up to now is 218.1 secs Computing kpt #: 185 total cpu time spent up to now is 219.2 secs Computing kpt #: 186 total cpu time spent up to now is 220.2 secs Computing kpt #: 187 total cpu time spent up to now is 221.3 secs Computing kpt #: 188 total cpu time spent up to now is 222.4 secs Computing kpt #: 189 total cpu time spent up to now is 223.5 secs Computing kpt #: 190 total cpu time spent up to now is 224.5 secs Computing kpt #: 191 total cpu time spent up to now is 225.7 secs Computing kpt #: 192 total cpu time spent up to now is 226.7 secs Computing kpt #: 193 total cpu time spent up to now is 227.8 secs Computing kpt #: 194 total cpu time spent up to now is 228.9 secs Computing kpt #: 195 total cpu time spent up to now is 230.0 secs Computing kpt #: 196 total cpu time spent up to now is 231.1 secs Computing kpt #: 197 total cpu time spent up to now is 232.3 secs Computing kpt #: 198 total cpu time spent up to now is 233.4 secs Computing kpt #: 199 total cpu time spent up to now is 234.5 secs Computing kpt #: 200 total cpu time spent up to now is 235.6 secs Computing kpt #: 201 total cpu time spent up to now is 236.7 secs Computing kpt #: 202 total cpu time spent up to now is 237.8 secs Computing kpt #: 203 total cpu time spent up to now is 238.9 secs Computing kpt #: 204 total cpu time spent up to now is 240.1 secs Computing kpt #: 205 total cpu time spent up to now is 241.2 secs Computing kpt #: 206 total cpu time spent up to now is 242.4 secs Computing kpt #: 207 total cpu time spent up to now is 243.5 secs Computing kpt #: 208 total cpu time spent up to now is 244.8 secs Computing kpt #: 209 total cpu time spent up to now is 246.0 secs Computing kpt #: 210 total cpu time spent up to now is 247.3 secs Computing kpt #: 211 total cpu time spent up to now is 248.4 secs Computing kpt #: 212 total cpu time spent up to now is 249.5 secs Computing kpt #: 213 total cpu time spent up to now is 250.6 secs Computing kpt #: 214 total cpu time spent up to now is 251.8 secs Computing kpt #: 215 total cpu time spent up to now is 252.9 secs Computing kpt #: 216 total cpu time spent up to now is 254.1 secs Computing kpt #: 217 total cpu time spent up to now is 255.2 secs Computing kpt #: 218 total cpu time spent up to now is 256.2 secs Computing kpt #: 219 total cpu time spent up to now is 257.4 secs Computing kpt #: 220 total cpu time spent up to now is 258.5 secs Computing kpt #: 221 total cpu time spent up to now is 259.6 secs Computing kpt #: 222 total cpu time spent up to now is 260.7 secs Computing kpt #: 223 total cpu time spent up to now is 261.7 secs Computing kpt #: 224 total cpu time spent up to now is 262.7 secs Computing kpt #: 225 total cpu time spent up to now is 263.8 secs Computing kpt #: 226 total cpu time spent up to now is 264.8 secs Computing kpt #: 227 total cpu time spent up to now is 265.7 secs Computing kpt #: 228 total cpu time spent up to now is 266.7 secs Computing kpt #: 229 total cpu time spent up to now is 267.7 secs Computing kpt #: 230 total cpu time spent up to now is 269.0 secs Computing kpt #: 231 total cpu time spent up to now is 270.1 secs Computing kpt #: 232 total cpu time spent up to now is 271.1 secs Computing kpt #: 233 total cpu time spent up to now is 272.5 secs Computing kpt #: 234 total cpu time spent up to now is 273.6 secs Computing kpt #: 235 total cpu time spent up to now is 274.7 secs Computing kpt #: 236 total cpu time spent up to now is 275.9 secs Computing kpt #: 237 total cpu time spent up to now is 276.9 secs Computing kpt #: 238 total cpu time spent up to now is 278.0 secs Computing kpt #: 239 total cpu time spent up to now is 279.1 secs Computing kpt #: 240 total cpu time spent up to now is 280.3 secs Computing kpt #: 241 total cpu time spent up to now is 281.5 secs Computing kpt #: 242 total cpu time spent up to now is 282.6 secs Computing kpt #: 243 total cpu time spent up to now is 283.9 secs Computing kpt #: 244 total cpu time spent up to now is 285.2 secs Computing kpt #: 245 total cpu time spent up to now is 286.4 secs Computing kpt #: 246 total cpu time spent up to now is 287.6 secs Computing kpt #: 247 total cpu time spent up to now is 289.0 secs Computing kpt #: 248 total cpu time spent up to now is 290.2 secs Computing kpt #: 249 total cpu time spent up to now is 291.5 secs Computing kpt #: 250 total cpu time spent up to now is 292.7 secs Computing kpt #: 251 total cpu time spent up to now is 293.8 secs Computing kpt #: 252 total cpu time spent up to now is 295.2 secs Computing kpt #: 253 total cpu time spent up to now is 296.6 secs Computing kpt #: 254 total cpu time spent up to now is 298.0 secs Computing kpt #: 255 total cpu time spent up to now is 299.4 secs Computing kpt #: 256 total cpu time spent up to now is 300.8 secs Computing kpt #: 257 total cpu time spent up to now is 302.1 secs Computing kpt #: 258 total cpu time spent up to now is 303.3 secs Computing kpt #: 259 total cpu time spent up to now is 304.4 secs Computing kpt #: 260 total cpu time spent up to now is 305.5 secs Computing kpt #: 261 total cpu time spent up to now is 306.5 secs Computing kpt #: 262 total cpu time spent up to now is 307.8 secs Computing kpt #: 263 total cpu time spent up to now is 309.0 secs Computing kpt #: 264 total cpu time spent up to now is 310.1 secs Computing kpt #: 265 total cpu time spent up to now is 311.2 secs Computing kpt #: 266 total cpu time spent up to now is 312.3 secs Computing kpt #: 267 total cpu time spent up to now is 313.4 secs Computing kpt #: 268 total cpu time spent up to now is 314.7 secs Computing kpt #: 269 total cpu time spent up to now is 316.2 secs Computing kpt #: 270 total cpu time spent up to now is 317.2 secs Computing kpt #: 271 total cpu time spent up to now is 318.3 secs Computing kpt #: 272 total cpu time spent up to now is 319.8 secs Computing kpt #: 273 total cpu time spent up to now is 321.1 secs Computing kpt #: 274 total cpu time spent up to now is 322.3 secs Computing kpt #: 275 total cpu time spent up to now is 323.6 secs Computing kpt #: 276 total cpu time spent up to now is 324.7 secs Computing kpt #: 277 total cpu time spent up to now is 325.8 secs Computing kpt #: 278 total cpu time spent up to now is 327.2 secs Computing kpt #: 279 total cpu time spent up to now is 328.2 secs Computing kpt #: 280 total cpu time spent up to now is 329.4 secs Computing kpt #: 281 total cpu time spent up to now is 330.5 secs Computing kpt #: 282 total cpu time spent up to now is 331.7 secs Computing kpt #: 283 total cpu time spent up to now is 333.4 secs Computing kpt #: 284 total cpu time spent up to now is 334.6 secs Computing kpt #: 285 total cpu time spent up to now is 335.8 secs Computing kpt #: 286 total cpu time spent up to now is 336.8 secs Computing kpt #: 287 total cpu time spent up to now is 338.0 secs Computing kpt #: 288 total cpu time spent up to now is 339.3 secs Computing kpt #: 289 total cpu time spent up to now is 340.5 secs Computing kpt #: 290 total cpu time spent up to now is 341.6 secs Computing kpt #: 291 total cpu time spent up to now is 342.8 secs Computing kpt #: 292 total cpu time spent up to now is 343.9 secs Computing kpt #: 293 total cpu time spent up to now is 344.9 secs Computing kpt #: 294 total cpu time spent up to now is 346.0 secs Computing kpt #: 295 total cpu time spent up to now is 347.0 secs ethr = 1.79E-08, avg # of iterations = 33.7 total cpu time spent up to now is 347.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4389 PWs) bands (ev): -32.2869 -32.2869 -14.0386 -14.0386 -13.6466 -13.6466 -13.3061 -13.3061 -13.2694 -13.2694 -11.7553 -11.7553 -11.6987 -11.6987 -11.2988 -11.2988 -10.4700 -10.4700 -10.4461 -10.4461 -3.8859 -3.8859 -0.4087 -0.4087 0.4657 0.4657 0.8454 0.8454 0.9350 0.9350 1.4263 1.4263 1.5726 1.5726 3.4268 3.4268 3.9043 3.9043 3.9118 3.9118 4.1667 4.1667 4.4718 4.4718 4.5116 4.5116 4.8414 4.8414 4.8536 4.8536 4.9063 4.9063 4.9124 4.9124 5.0171 5.0171 8.6750 8.6750 11.9696 11.9696 12.7855 12.7855 12.9894 12.9894 13.0005 13.0005 13.0104 13.0104 k = 0.0143 0.0082-0.0000 ( 4381 PWs) bands (ev): -32.2868 -32.2868 -14.0382 -14.0382 -13.6464 -13.6464 -13.3060 -13.3060 -13.2693 -13.2693 -11.7561 -11.7561 -11.6996 -11.6996 -11.2982 -11.2982 -10.4702 -10.4702 -10.4464 -10.4464 -3.8839 -3.8839 -0.4094 -0.4094 0.4645 0.4645 0.8455 0.8455 0.9356 0.9356 1.4279 1.4279 1.5740 1.5740 3.4284 3.4284 3.8970 3.8970 3.9089 3.9089 4.1745 4.1745 4.4705 4.4705 4.5103 4.5103 4.8342 4.8342 4.8460 4.8460 4.9114 4.9114 4.9180 4.9180 5.0193 5.0193 8.6794 8.6794 11.9685 11.9685 12.7870 12.7870 12.9891 12.9891 13.0007 13.0007 13.0106 13.0106 k = 0.0286 0.0165-0.0000 ( 4373 PWs) bands (ev): -32.2868 -32.2868 -14.0368 -14.0368 -13.6459 -13.6459 -13.3057 -13.3057 -13.2690 -13.2690 -11.7586 -11.7586 -11.7023 -11.7023 -11.2963 -11.2963 -10.4708 -10.4708 -10.4471 -10.4471 -3.8779 -3.8779 -0.4114 -0.4114 0.4611 0.4611 0.8458 0.8458 0.9374 0.9374 1.4324 1.4324 1.5785 1.5785 3.4333 3.4333 3.8714 3.8714 3.9066 3.9066 4.1951 4.1951 4.4661 4.4661 4.5070 4.5070 4.8167 4.8167 4.8288 4.8288 4.9223 4.9223 4.9292 4.9292 5.0261 5.0261 8.6922 8.6922 11.9651 11.9651 12.7912 12.7912 12.9881 12.9881 13.0008 13.0008 13.0115 13.0115 k = 0.0429 0.0247-0.0000 ( 4377 PWs) bands (ev): -32.2868 -32.2868 -14.0347 -14.0347 -13.6451 -13.6451 -13.3053 -13.3053 -13.2686 -13.2686 -11.7630 -11.7630 -11.7066 -11.7066 -11.2933 -11.2933 -10.4718 -10.4718 -10.4482 -10.4482 -3.8679 -3.8679 -0.4148 -0.4148 0.4556 0.4556 0.8465 0.8465 0.9404 0.9404 1.4386 1.4386 1.5870 1.5870 3.4414 3.4414 3.8341 3.8341 3.9040 3.9040 4.2226 4.2226 4.4570 4.4570 4.5034 4.5034 4.7944 4.7944 4.8077 4.8077 4.9334 4.9334 4.9408 4.9408 5.0373 5.0373 8.7134 8.7134 11.9595 11.9595 12.7983 12.7983 12.9863 12.9863 13.0002 13.0002 13.0139 13.0139 k = 0.0571 0.0330-0.0000 ( 4371 PWs) bands (ev): -32.2868 -32.2868 -14.0316 -14.0316 -13.6440 -13.6440 -13.3047 -13.3047 -13.2680 -13.2680 -11.7695 -11.7695 -11.7120 -11.7120 -11.2892 -11.2892 -10.4733 -10.4733 -10.4498 -10.4498 -3.8539 -3.8539 -0.4196 -0.4196 0.4482 0.4482 0.8478 0.8478 0.9446 0.9446 1.4450 1.4450 1.6005 1.6005 3.4525 3.4525 3.7899 3.7899 3.9008 3.9008 4.2526 4.2526 4.4418 4.4418 4.5012 4.5012 4.7699 4.7699 4.7848 4.7848 4.9419 4.9419 4.9523 4.9523 5.0523 5.0523 8.7427 8.7427 11.9517 11.9517 12.8081 12.8081 12.9837 12.9837 12.9985 12.9985 13.0181 13.0181 k = 0.0714 0.0412-0.0000 ( 4365 PWs) bands (ev): -32.2868 -32.2868 -14.0278 -14.0278 -13.6425 -13.6425 -13.3040 -13.3040 -13.2671 -13.2671 -11.7785 -11.7785 -11.7182 -11.7182 -11.2841 -11.2841 -10.4752 -10.4752 -10.4517 -10.4517 -3.8362 -3.8362 -0.4259 -0.4259 0.4393 0.4393 0.8497 0.8497 0.9500 0.9500 1.4501 1.4501 1.6199 1.6199 3.4662 3.4662 3.7413 3.7413 3.8968 3.8968 4.2823 4.2823 4.4203 4.4203 4.5008 4.5008 4.7447 4.7447 4.7609 4.7609 4.9474 4.9474 4.9636 4.9636 5.0698 5.0698 8.7796 8.7796 11.9418 11.9418 12.8205 12.8205 12.9802 12.9802 12.9958 12.9958 13.0238 13.0238 k = 0.0857 0.0495-0.0000 ( 4361 PWs) bands (ev): -32.2868 -32.2868 -14.0232 -14.0232 -13.6407 -13.6407 -13.3033 -13.3033 -13.2659 -13.2659 -11.7903 -11.7903 -11.7245 -11.7245 -11.2781 -11.2781 -10.4776 -10.4776 -10.4539 -10.4539 -3.8146 -3.8146 -0.4336 -0.4336 0.4292 0.4292 0.8525 0.8525 0.9568 0.9568 1.4531 1.4531 1.6455 1.6455 3.4822 3.4822 3.6900 3.6900 3.8921 3.8921 4.3092 4.3092 4.3938 4.3938 4.5019 4.5019 4.7196 4.7196 4.7365 4.7365 4.9510 4.9510 4.9741 4.9741 5.0886 5.0886 8.8237 8.8237 11.9299 11.9299 12.8354 12.8354 12.9760 12.9760 12.9925 12.9925 13.0307 13.0307 k = 0.1000 0.0577-0.0000 ( 4361 PWs) bands (ev): -32.2868 -32.2868 -14.0178 -14.0178 -13.6386 -13.6386 -13.3025 -13.3025 -13.2643 -13.2643 -11.8050 -11.8050 -11.7306 -11.7306 -11.2714 -11.2714 -10.4806 -10.4806 -10.4564 -10.4564 -3.7893 -3.7893 -0.4429 -0.4429 0.4184 0.4184 0.8561 0.8561 0.9648 0.9648 1.4539 1.4539 1.6768 1.6768 3.4998 3.4998 3.6369 3.6369 3.8870 3.8870 4.3281 4.3281 4.3670 4.3670 4.5043 4.5043 4.6956 4.6956 4.7120 4.7120 4.9535 4.9535 4.9837 4.9837 5.1079 5.1079 8.8744 8.8744 11.9159 11.9159 12.8523 12.8523 12.9711 12.9711 12.9888 12.9888 13.0383 13.0383 k = 0.1143 0.0660-0.0000 ( 4371 PWs) bands (ev): -32.2868 -32.2868 -14.0117 -14.0117 -13.6361 -13.6361 -13.3018 -13.3018 -13.2622 -13.2622 -11.8228 -11.8228 -11.7363 -11.7363 -11.2642 -11.2642 -10.4840 -10.4840 -10.4590 -10.4590 -3.7605 -3.7605 -0.4537 -0.4537 0.4072 0.4072 0.8607 0.8607 0.9741 0.9741 1.4528 1.4528 1.7129 1.7129 3.5180 3.5180 3.5833 3.5833 3.8816 3.8816 4.3138 4.3138 4.3651 4.3651 4.5069 4.5069 4.6740 4.6740 4.6876 4.6876 4.9555 4.9555 4.9923 4.9923 5.1270 5.1270 8.9311 8.9311 11.8999 11.8999 12.8707 12.8707 12.9656 12.9656 12.9853 12.9853 13.0462 13.0462 k = 0.1286 0.0742-0.0000 ( 4371 PWs) bands (ev): -32.2868 -32.2868 -14.0050 -14.0050 -13.6333 -13.6333 -13.3012 -13.3012 -13.2596 -13.2596 -11.8434 -11.8434 -11.7415 -11.7415 -11.2565 -11.2565 -10.4881 -10.4881 -10.4618 -10.4618 -3.7282 -3.7282 -0.4662 -0.4662 0.3960 0.3960 0.8661 0.8661 0.9847 0.9847 1.4502 1.4502 1.7526 1.7526 3.5207 3.5207 3.5446 3.5446 3.8766 3.8766 4.2766 4.2766 4.3781 4.3781 4.5081 4.5081 4.6562 4.6562 4.6638 4.6638 4.9575 4.9575 4.9997 4.9997 5.1454 5.1454 8.9933 8.9933 11.8821 11.8821 12.8894 12.8894 12.9596 12.9596 12.9831 12.9831 13.0542 13.0542 k = 0.1429 0.0825-0.0000 ( 4371 PWs) bands (ev): -32.2868 -32.2868 -13.9976 -13.9976 -13.6302 -13.6302 -13.3007 -13.3007 -13.2564 -13.2564 -11.8667 -11.8667 -11.7463 -11.7463 -11.2486 -11.2486 -10.4925 -10.4925 -10.4646 -10.4646 -3.6927 -3.6927 -0.4804 -0.4804 0.3852 0.3852 0.8722 0.8722 0.9966 0.9966 1.4466 1.4466 1.7951 1.7951 3.4700 3.4700 3.5583 3.5583 3.8726 3.8726 4.2345 4.2345 4.3890 4.3890 4.5052 4.5052 4.6378 4.6378 4.6474 4.6474 4.9597 4.9597 5.0061 5.0061 5.1630 5.1630 9.0603 9.0603 11.8625 11.8625 12.9060 12.9060 12.9533 12.9533 12.9842 12.9842 13.0620 13.0620 k = 0.1571 0.0907-0.0000 ( 4367 PWs) bands (ev): -32.2868 -32.2868 -13.9898 -13.9898 -13.6267 -13.6267 -13.3004 -13.3004 -13.2525 -13.2525 -11.8923 -11.8923 -11.7506 -11.7506 -11.2405 -11.2405 -10.4975 -10.4975 -10.4675 -10.4675 -3.6540 -3.6540 -0.4964 -0.4964 0.3750 0.3750 0.8790 0.8790 1.0098 1.0098 1.4425 1.4425 1.8393 1.8393 3.4158 3.4158 3.5733 3.5733 3.8706 3.8706 4.1907 4.1907 4.3966 4.3966 4.4963 4.4963 4.6147 4.6147 4.6440 4.6440 4.9625 4.9625 5.0114 5.0114 5.1796 5.1796 9.1315 9.1315 11.8411 11.8411 12.9166 12.9166 12.9467 12.9467 12.9921 12.9921 13.0696 13.0696 k = 0.1714 0.0990-0.0000 ( 4367 PWs) bands (ev): -32.2868 -32.2868 -13.9815 -13.9815 -13.6228 -13.6228 -13.3002 -13.3002 -13.2479 -13.2479 -11.9202 -11.9202 -11.7544 -11.7544 -11.2324 -11.2324 -10.5028 -10.5028 -10.4705 -10.4705 -3.6123 -3.6123 -0.5142 -0.5142 0.3659 0.3659 0.8863 0.8863 1.0243 1.0243 1.4380 1.4380 1.8844 1.8844 3.3623 3.3623 3.5839 3.5839 3.8720 3.8720 4.1465 4.1465 4.4013 4.4013 4.4813 4.4813 4.5915 4.5915 4.6478 4.6478 4.9661 4.9661 5.0157 5.0157 5.1950 5.1950 9.2064 9.2064 11.8180 11.8180 12.9193 12.9193 12.9400 12.9400 13.0078 13.0078 13.0776 13.0776 k = 0.1857 0.1072-0.0000 ( 4371 PWs) bands (ev): -32.2868 -32.2868 -13.9729 -13.9729 -13.6186 -13.6186 -13.3001 -13.3001 -13.2425 -13.2425 -11.9501 -11.9501 -11.7577 -11.7577 -11.2244 -11.2244 -10.5083 -10.5083 -10.4736 -10.4736 -3.5679 -3.5679 -0.5338 -0.5338 0.3579 0.3579 0.8941 0.8941 1.0399 1.0399 1.4335 1.4335 1.9293 1.9293 3.3103 3.3103 3.5878 3.5878 3.8782 3.8782 4.1031 4.1031 4.4035 4.4035 4.4623 4.4623 4.5687 4.5687 4.6559 4.6559 4.9707 4.9707 5.0189 5.0189 5.2091 5.2091 9.2844 9.2844 11.7932 11.7932 12.9160 12.9160 12.9332 12.9332 13.0267 13.0267 13.0881 13.0881 k = 0.2000 0.1155-0.0000 ( 4363 PWs) bands (ev): -32.2868 -32.2868 -13.9640 -13.9640 -13.6141 -13.6141 -13.3002 -13.3002 -13.2363 -13.2363 -11.9818 -11.9818 -11.7605 -11.7605 -11.2167 -11.2167 -10.5141 -10.5141 -10.4767 -10.4767 -3.5209 -3.5209 -0.5552 -0.5552 0.3513 0.3513 0.9021 0.9021 1.0566 1.0566 1.4291 1.4291 1.9731 1.9731 3.2608 3.2608 3.5831 3.5831 3.8903 3.8903 4.0618 4.0618 4.4031 4.4031 4.4418 4.4418 4.5464 4.5464 4.6657 4.6657 4.9765 4.9765 5.0210 5.0210 5.2219 5.2219 9.3649 9.3649 11.7668 11.7668 12.9097 12.9097 12.9263 12.9263 13.0415 13.0415 13.1054 13.1054 k = 0.2143 0.1237-0.0000 ( 4373 PWs) bands (ev): -32.2868 -32.2868 -13.9549 -13.9549 -13.6093 -13.6093 -13.3003 -13.3003 -13.2292 -13.2292 -12.0152 -12.0152 -11.7628 -11.7628 -11.2094 -11.2094 -10.5200 -10.5200 -10.4799 -10.4799 -3.4715 -3.4715 -0.5785 -0.5785 0.3463 0.3463 0.9102 0.9102 1.0743 1.0743 1.4249 1.4249 2.0148 2.0148 3.2145 3.2145 3.5694 3.5694 3.9080 3.9080 4.0233 4.0233 4.3979 4.3979 4.4238 4.4238 4.5247 4.5247 4.6753 4.6753 4.9836 4.9836 5.0222 5.0222 5.2334 5.2334 9.4475 9.4475 11.7389 11.7389 12.9016 12.9016 12.9195 12.9195 13.0477 13.0477 13.1320 13.1320 k = 0.2286 0.1320-0.0000 ( 4379 PWs) bands (ev): -32.2868 -32.2868 -13.9458 -13.9458 -13.6041 -13.6041 -13.3006 -13.3006 -13.2212 -13.2212 -12.0500 -12.0500 -11.7647 -11.7647 -11.2025 -11.2025 -10.5259 -10.5259 -10.4832 -10.4832 -3.4201 -3.4201 -0.6036 -0.6036 0.3428 0.3428 0.9183 0.9183 1.0928 1.0928 1.4210 1.4210 2.0534 2.0534 3.1724 3.1724 3.5472 3.5472 3.9304 3.9304 3.9887 3.9887 4.3823 4.3823 4.4149 4.4149 4.5037 4.5037 4.6838 4.6838 4.9920 4.9920 5.0224 5.0224 5.2435 5.2435 9.5316 9.5316 11.7096 11.7096 12.8927 12.8927 12.9128 12.9128 13.0467 13.0467 13.1656 13.1656 k = 0.2429 0.1402-0.0000 ( 4383 PWs) bands (ev): -32.2867 -32.2867 -13.9367 -13.9367 -13.5987 -13.5987 -13.3009 -13.3009 -13.2122 -13.2122 -12.0861 -12.0861 -11.7660 -11.7660 -11.1962 -11.1962 -10.5317 -10.5317 -10.4864 -10.4864 -3.3668 -3.3668 -0.6306 -0.6306 0.3411 0.3411 0.9264 0.9264 1.1121 1.1121 1.4176 1.4176 2.0875 2.0875 3.1357 3.1357 3.5178 3.5178 3.9504 3.9504 3.9638 3.9638 4.3604 4.3604 4.4117 4.4117 4.4838 4.4838 4.6906 4.6906 5.0016 5.0016 5.0215 5.0215 5.2523 5.2523 9.6168 9.6168 11.6790 11.6790 12.8831 12.8831 12.9066 12.9066 13.0406 13.0406 13.2034 13.2034 k = 0.2571 0.1485-0.0000 ( 4387 PWs) bands (ev): -32.2867 -32.2867 -13.9277 -13.9277 -13.5930 -13.5930 -13.3012 -13.3012 -13.2021 -13.2021 -12.1234 -12.1234 -11.7668 -11.7668 -11.1904 -11.1904 -10.5374 -10.5374 -10.4897 -10.4897 -3.3119 -3.3119 -0.6593 -0.6593 0.3410 0.3410 0.9342 0.9342 1.1320 1.1320 1.4147 1.4147 2.1161 2.1161 3.1054 3.1054 3.4826 3.4826 3.9285 3.9285 3.9867 3.9867 4.3368 4.3368 4.4102 4.4102 4.4652 4.4652 4.6953 4.6953 5.0122 5.0122 5.0198 5.0198 5.2598 5.2598 9.7027 9.7027 11.6471 11.6471 12.8733 12.8733 12.9007 12.9007 13.0305 13.0305 13.2440 13.2440 k = 0.2714 0.1567-0.0000 ( 4391 PWs) bands (ev): -32.2867 -32.2867 -13.9188 -13.9188 -13.5872 -13.5872 -13.3015 -13.3015 -13.1909 -13.1909 -12.1617 -12.1617 -11.7672 -11.7672 -11.1854 -11.1854 -10.5429 -10.5429 -10.4930 -10.4930 -3.2557 -3.2557 -0.6896 -0.6896 0.3427 0.3427 0.9416 0.9416 1.1522 1.1522 1.4123 1.4123 2.1381 2.1381 3.0826 3.0826 3.4433 3.4433 3.9048 3.9048 4.0155 4.0155 4.3130 4.3130 4.4094 4.4094 4.4484 4.4484 4.6979 4.6979 5.0166 5.0166 5.0243 5.0243 5.2660 5.2660 9.7889 9.7889 11.6141 11.6141 12.8633 12.8633 12.8954 12.8954 13.0168 13.0168 13.2869 13.2869 k = 0.2857 0.1650-0.0000 ( 4383 PWs) bands (ev): -32.2867 -32.2867 -13.9103 -13.9103 -13.5812 -13.5812 -13.3018 -13.3018 -13.1784 -13.1784 -12.2009 -12.2009 -11.7670 -11.7670 -11.1810 -11.1810 -10.5482 -10.5482 -10.4963 -10.4963 -3.1986 -3.1986 -0.7215 -0.7215 0.3461 0.3461 0.9486 0.9486 1.1726 1.1726 1.4104 1.4104 2.1525 2.1525 3.0679 3.0679 3.4013 3.4013 3.8840 3.8840 4.0441 4.0441 4.2894 4.2894 4.4090 4.4090 4.4338 4.4338 4.6985 4.6985 5.0130 5.0130 5.0364 5.0364 5.2710 5.2710 9.8748 9.8748 11.5801 11.5801 12.8532 12.8532 12.8906 12.8906 13.0000 13.0000 13.3315 13.3315 k = 0.3000 0.1732-0.0000 ( 4377 PWs) bands (ev): -32.2867 -32.2867 -13.9021 -13.9021 -13.5752 -13.5752 -13.3020 -13.3020 -13.1646 -13.1646 -12.2407 -12.2407 -11.7665 -11.7665 -11.1773 -11.1773 -10.5531 -10.5531 -10.4995 -10.4995 -3.1409 -3.1409 -0.7547 -0.7547 0.3510 0.3510 0.9551 0.9551 1.1929 1.1929 1.4091 1.4091 2.1591 2.1591 3.0618 3.0618 3.3580 3.3580 3.8657 3.8657 4.0710 4.0710 4.2662 4.2662 4.4091 4.4091 4.4222 4.4222 4.6971 4.6971 5.0083 5.0083 5.0491 5.0491 5.2750 5.2750 9.9603 9.9603 11.5453 11.5453 12.8433 12.8433 12.8864 12.8864 12.9804 12.9804 13.3777 13.3777 k = 0.3143 0.1815-0.0000 ( 4373 PWs) bands (ev): -32.2867 -32.2867 -13.8944 -13.8944 -13.5692 -13.5692 -13.3023 -13.3023 -13.1494 -13.1494 -12.2812 -12.2812 -11.7656 -11.7656 -11.1743 -11.1743 -10.5576 -10.5576 -10.5027 -10.5027 -3.0829 -3.0829 -0.7891 -0.7891 0.3575 0.3575 0.9610 0.9610 1.2130 1.2130 1.4084 1.4084 2.1581 2.1581 3.0639 3.0639 3.3144 3.3144 3.8496 3.8496 4.0950 4.0950 4.2436 4.2436 4.4098 4.4098 4.4146 4.4146 4.6939 4.6939 5.0027 5.0027 5.0619 5.0619 5.2778 5.2778 10.0448 10.0448 11.5099 11.5099 12.8334 12.8334 12.8828 12.8828 12.9586 12.9586 13.4252 13.4252 k = 0.3286 0.1897-0.0000 ( 4387 PWs) bands (ev): -32.2867 -32.2867 -13.8872 -13.8872 -13.5633 -13.5633 -13.3025 -13.3025 -13.1328 -13.1328 -12.3220 -12.3220 -11.7643 -11.7643 -11.1721 -11.1721 -10.5618 -10.5618 -10.5057 -10.5057 -3.0251 -3.0251 -0.8244 -0.8244 0.3653 0.3653 0.9661 0.9661 1.2325 1.2325 1.4082 1.4082 2.1502 2.1502 3.0734 3.0734 3.2714 3.2714 3.8355 3.8355 4.1146 4.1146 4.2217 4.2217 4.4107 4.4107 4.4121 4.4121 4.6891 4.6891 4.9963 4.9963 5.0745 5.0745 5.2798 5.2798 10.1281 10.1281 11.4738 11.4738 12.8235 12.8235 12.8796 12.8796 12.9352 12.9352 13.4739 13.4739 k = 0.3429 0.1979-0.0000 ( 4375 PWs) bands (ev): -32.2867 -32.2867 -13.8804 -13.8804 -13.5576 -13.5576 -13.3027 -13.3027 -13.1146 -13.1146 -12.3631 -12.3631 -11.7628 -11.7628 -11.1704 -11.1704 -10.5655 -10.5655 -10.5086 -10.5086 -2.9680 -2.9680 -0.8603 -0.8603 0.3742 0.3742 0.9705 0.9705 1.2513 1.2513 1.4086 1.4086 2.1368 2.1368 3.0889 3.0889 3.2299 3.2299 3.8231 3.8231 4.1291 4.1291 4.2006 4.2006 4.4131 4.4131 4.4144 4.4144 4.6827 4.6827 4.9891 4.9891 5.0868 5.0868 5.2809 5.2809 10.2097 10.2097 11.4374 11.4374 12.8137 12.8137 12.8764 12.8764 12.9113 12.9113 13.5237 13.5237 k = 0.3571 0.2062-0.0000 ( 4383 PWs) bands (ev): -32.2867 -32.2867 -13.8743 -13.8743 -13.5521 -13.5521 -13.3028 -13.3028 -13.0949 -13.0949 -12.4043 -12.4043 -11.7610 -11.7610 -11.1693 -11.1693 -10.5689 -10.5689 -10.5114 -10.5114 -2.9120 -2.9120 -0.8965 -0.8965 0.3841 0.3841 0.9741 0.9741 1.2690 1.2690 1.4095 1.4095 2.1192 2.1192 3.1086 3.1086 3.1906 3.1906 3.8123 3.8123 4.1379 4.1379 4.1805 4.1805 4.4165 4.4165 4.4221 4.4221 4.6751 4.6751 4.9812 4.9812 5.0985 5.0985 5.2814 5.2814 10.2894 10.2894 11.4006 11.4006 12.8037 12.8037 12.8707 12.8707 12.8900 12.8900 13.5744 13.5744 k = 0.3714 0.2144-0.0000 ( 4390 PWs) bands (ev): -32.2867 -32.2867 -13.8687 -13.8687 -13.5470 -13.5470 -13.3029 -13.3029 -13.0736 -13.0736 -12.4455 -12.4455 -11.7591 -11.7591 -11.1688 -11.1688 -10.5718 -10.5718 -10.5140 -10.5140 -2.8577 -2.8577 -0.9324 -0.9324 0.3947 0.3947 0.9768 0.9768 1.2853 1.2853 1.4110 1.4110 2.0990 2.0990 3.1284 3.1284 3.1569 3.1569 3.8030 3.8030 4.1415 4.1415 4.1616 4.1616 4.4205 4.4205 4.4351 4.4351 4.6664 4.6664 4.9727 4.9727 5.1096 5.1096 5.2812 5.2812 10.3668 10.3668 11.3635 11.3635 12.7931 12.7931 12.8552 12.8552 12.8800 12.8800 13.6260 13.6260 k = 0.3857 0.2227-0.0000 ( 4386 PWs) bands (ev): -32.2867 -32.2867 -13.8637 -13.8637 -13.5423 -13.5423 -13.3029 -13.3029 -13.0506 -13.0506 -12.4866 -12.4866 -11.7572 -11.7572 -11.1686 -11.1686 -10.5743 -10.5743 -10.5164 -10.5164 -2.8058 -2.8058 -0.9676 -0.9676 0.4056 0.4056 0.9788 0.9788 1.3001 1.3001 1.4131 1.4131 2.0776 2.0776 3.1145 3.1145 3.1613 3.1613 3.7949 3.7949 4.1399 4.1399 4.1450 4.1450 4.4253 4.4253 4.4516 4.4516 4.6567 4.6567 4.9638 4.9638 5.1198 5.1198 5.2806 5.2806 10.4416 10.4416 11.3263 11.3263 12.7809 12.7809 12.8353 12.8353 12.8773 12.8773 13.6783 13.6783 k = 0.4000 0.2309-0.0000 ( 4382 PWs) bands (ev): -32.2867 -32.2867 -13.8593 -13.8593 -13.5380 -13.5380 -13.3029 -13.3029 -13.0261 -13.0261 -12.5273 -12.5273 -11.7552 -11.7552 -11.1688 -11.1688 -10.5765 -10.5765 -10.5186 -10.5186 -2.7571 -2.7571 -1.0013 -1.0013 0.4166 0.4166 0.9799 0.9799 1.3131 1.3131 1.4157 1.4157 2.0561 2.0561 3.0848 3.0848 3.1851 3.1851 3.7881 3.7881 4.1264 4.1264 4.1391 4.1391 4.4309 4.4309 4.4703 4.4703 4.6463 4.6463 4.9545 4.9545 5.1291 5.1291 5.2797 5.2797 10.5133 10.5133 11.2889 11.2889 12.7663 12.7663 12.8183 12.8183 12.8762 12.8762 13.7312 13.7312 k = 0.4143 0.2392-0.0000 ( 4390 PWs) bands (ev): -32.2867 -32.2867 -13.8555 -13.8555 -13.5343 -13.5343 -13.3029 -13.3029 -13.0001 -13.0001 -12.5676 -12.5676 -11.7533 -11.7533 -11.1693 -11.1693 -10.5783 -10.5783 -10.5205 -10.5205 -2.7122 -2.7122 -1.0331 -1.0331 0.4273 0.4273 0.9804 0.9804 1.3241 1.3241 1.4188 1.4188 2.0356 2.0356 3.0575 3.0575 3.2091 3.2091 3.7823 3.7823 4.1116 4.1116 4.1343 4.1343 4.4371 4.4371 4.4896 4.4896 4.6355 4.6355 4.9452 4.9452 5.1374 5.1374 5.2786 5.2786 10.5817 10.5817 11.2514 11.2514 12.7494 12.7494 12.8056 12.8056 12.8757 12.8757 13.7847 13.7847 k = 0.4286 0.2474-0.0000 ( 4378 PWs) bands (ev): -32.2866 -32.2866 -13.8523 -13.8523 -13.5311 -13.5311 -13.3029 -13.3029 -12.9727 -12.9727 -12.6071 -12.6071 -11.7515 -11.7515 -11.1698 -11.1698 -10.5797 -10.5797 -10.5222 -10.5222 -2.6720 -2.6720 -1.0620 -1.0620 0.4373 0.4373 0.9804 0.9804 1.3331 1.3331 1.4221 1.4221 2.0169 2.0169 3.0338 3.0338 3.2314 3.2314 3.7777 3.7777 4.0984 4.0984 4.1290 4.1290 4.4440 4.4440 4.5083 4.5083 4.6246 4.6246 4.9362 4.9362 5.1446 5.1446 5.2774 5.2774 10.6461 10.6461 11.2139 11.2139 12.7317 12.7317 12.7967 12.7967 12.8756 12.8756 13.8385 13.8385 k = 0.4429 0.2557-0.0000 ( 4388 PWs) bands (ev): -32.2866 -32.2866 -13.8497 -13.8497 -13.5284 -13.5284 -13.3029 -13.3029 -12.9442 -12.9442 -12.6457 -12.6457 -11.7500 -11.7500 -11.1704 -11.1704 -10.5809 -10.5809 -10.5236 -10.5236 -2.6375 -2.6375 -1.0872 -1.0872 0.4462 0.4462 0.9799 0.9799 1.3402 1.3402 1.4255 1.4255 2.0007 2.0007 3.0140 3.0140 3.2510 3.2510 3.7740 3.7740 4.0872 4.0872 4.1239 4.1239 4.4510 4.4510 4.5254 4.5254 4.6141 4.6141 4.9278 4.9278 5.1506 5.1506 5.2763 5.2763 10.7059 10.7059 11.1768 11.1768 12.7152 12.7152 12.7904 12.7904 12.8756 12.8756 13.8923 13.8923 k = 0.4571 0.2639-0.0000 ( 4378 PWs) bands (ev): -32.2866 -32.2866 -13.8477 -13.8477 -13.5263 -13.5263 -13.3029 -13.3029 -12.9149 -12.9149 -12.6828 -12.6828 -11.7488 -11.7488 -11.1710 -11.1710 -10.5817 -10.5817 -10.5247 -10.5247 -2.6094 -2.6094 -1.1079 -1.1079 0.4536 0.4536 0.9793 0.9793 1.3454 1.3454 1.4285 1.4285 1.9877 1.9877 2.9984 2.9984 3.2670 3.2670 3.7712 3.7712 4.0782 4.0782 4.1194 4.1194 4.4577 4.4577 4.5397 4.5397 4.6046 4.6046 4.9206 4.9206 5.1553 5.1553 5.2753 5.2753 10.7599 10.7599 11.1409 11.1409 12.7011 12.7011 12.7859 12.7859 12.8757 12.8757 13.9456 13.9456 k = 0.4714 0.2722-0.0000 ( 4382 PWs) bands (ev): -32.2866 -32.2866 -13.8462 -13.8462 -13.5249 -13.5249 -13.3029 -13.3029 -12.8860 -12.8860 -12.7173 -12.7173 -11.7478 -11.7478 -11.1714 -11.1714 -10.5823 -10.5823 -10.5254 -10.5254 -2.5887 -2.5887 -1.1234 -1.1234 0.4592 0.4592 0.9787 0.9787 1.3490 1.3490 1.4310 1.4310 1.9781 1.9781 2.9872 2.9872 3.2790 3.2790 3.7693 3.7693 4.0715 4.0715 4.1159 4.1159 4.4635 4.4635 4.5506 4.5506 4.5970 4.5970 4.9149 4.9149 5.1587 5.1587 5.2745 5.2745 10.8059 10.8059 11.1081 11.1081 12.6905 12.6905 12.7829 12.7829 12.8758 12.8758 13.9972 13.9972 k = 0.4857 0.2804-0.0000 ( 4382 PWs) bands (ev): -32.2866 -32.2866 -13.8454 -13.8454 -13.5240 -13.5240 -13.3028 -13.3028 -12.8605 -12.8605 -12.7462 -12.7462 -11.7472 -11.7472 -11.1717 -11.1717 -10.5827 -10.5827 -10.5259 -10.5259 -2.5760 -2.5760 -1.1330 -1.1330 0.4626 0.4626 0.9783 0.9783 1.3511 1.3511 1.4325 1.4325 1.9722 1.9722 2.9804 2.9804 3.2863 3.2863 3.7682 3.7682 4.0674 4.0674 4.1138 4.1138 4.4675 4.4675 4.5573 4.5573 4.5919 4.5919 4.9113 4.9113 5.1608 5.1608 5.2740 5.2740 10.8391 10.8391 11.0829 11.0829 12.6839 12.6839 12.7812 12.7812 12.8759 12.8759 14.0442 14.0442 k = 0.5000 0.2887-0.0000 ( 4384 PWs) bands (ev): -32.2866 -32.2866 -13.8451 -13.8451 -13.5237 -13.5237 -13.3028 -13.3028 -12.8484 -12.8484 -12.7594 -12.7594 -11.7471 -11.7471 -11.1718 -11.1718 -10.5828 -10.5828 -10.5261 -10.5261 -2.5717 -2.5717 -1.1362 -1.1362 0.4638 0.4638 0.9782 0.9782 1.3517 1.3517 1.4331 1.4331 1.9702 1.9702 2.9781 2.9781 3.2888 3.2888 3.7678 3.7678 4.0661 4.0661 4.1130 4.1130 4.4689 4.4689 4.5595 4.5595 4.5902 4.5902 4.9100 4.9100 5.1615 5.1615 5.2738 5.2738 10.8517 10.8517 11.0729 11.0729 12.6817 12.6817 12.7806 12.7806 12.8759 12.8759 14.0712 14.0712 k = 0.5000 0.2887-0.0000 ( 4384 PWs) bands (ev): -32.2866 -32.2866 -13.8451 -13.8451 -13.5237 -13.5237 -13.3028 -13.3028 -12.8484 -12.8484 -12.7594 -12.7594 -11.7471 -11.7471 -11.1718 -11.1718 -10.5828 -10.5828 -10.5261 -10.5261 -2.5717 -2.5717 -1.1362 -1.1362 0.4638 0.4638 0.9782 0.9782 1.3517 1.3517 1.4331 1.4331 1.9702 1.9702 2.9781 2.9781 3.2888 3.2888 3.7678 3.7678 4.0661 4.0661 4.1130 4.1130 4.4689 4.4689 4.5595 4.5595 4.5902 4.5902 4.9100 4.9100 5.1615 5.1615 5.2738 5.2738 10.8517 10.8517 11.0729 11.0729 12.6817 12.6817 12.7806 12.7806 12.8759 12.8759 14.0712 14.0712 k = 0.4917 0.3031-0.0000 ( 4380 PWs) bands (ev): -32.2866 -32.2866 -13.8447 -13.8447 -13.5238 -13.5238 -13.3033 -13.3033 -12.8483 -12.8483 -12.7585 -12.7585 -11.7483 -11.7483 -11.1713 -11.1713 -10.5907 -10.5907 -10.5185 -10.5185 -2.5697 -2.5697 -1.1385 -1.1385 0.4644 0.4644 0.9766 0.9766 1.3509 1.3509 1.4371 1.4371 1.9709 1.9709 2.9769 2.9769 3.2802 3.2802 3.7752 3.7752 4.0665 4.0665 4.1135 4.1135 4.4689 4.4689 4.5587 4.5587 4.5902 4.5902 4.9104 4.9104 5.1615 5.1615 5.2736 5.2736 10.8518 10.8518 11.0730 11.0730 12.6818 12.6818 12.7803 12.7803 12.8752 12.8752 14.0693 14.0693 k = 0.4833 0.3175-0.0000 ( 4378 PWs) bands (ev): -32.2866 -32.2866 -13.8436 -13.8436 -13.5244 -13.5244 -13.3048 -13.3048 -12.8479 -12.8479 -12.7557 -12.7557 -11.7519 -11.7519 -11.1697 -11.1697 -10.6079 -10.6079 -10.5023 -10.5023 -2.5637 -2.5637 -1.1452 -1.1452 0.4660 0.4660 0.9720 0.9720 1.3490 1.3490 1.4483 1.4483 1.9731 1.9731 2.9734 2.9734 3.2558 3.2558 3.7960 3.7960 4.0676 4.0676 4.1150 4.1150 4.4691 4.4691 4.5562 4.5562 4.5904 4.5904 4.9116 4.9116 5.1614 5.1614 5.2732 5.2732 10.8520 10.8520 11.0734 11.0734 12.6823 12.6823 12.7792 12.7792 12.8732 12.8732 14.0638 14.0638 k = 0.4750 0.3320-0.0000 ( 4380 PWs) bands (ev): -32.2866 -32.2866 -13.8417 -13.8417 -13.5253 -13.5253 -13.3071 -13.3071 -12.8471 -12.8471 -12.7513 -12.7513 -11.7578 -11.7578 -11.1671 -11.1671 -10.6282 -10.6282 -10.4836 -10.4836 -2.5536 -2.5536 -1.1564 -1.1564 0.4687 0.4687 0.9647 0.9647 1.3471 1.3471 1.4653 1.4653 1.9768 1.9768 2.9675 2.9675 3.2191 3.2191 3.8267 3.8267 4.0691 4.0691 4.1178 4.1178 4.4693 4.4693 4.5522 4.5522 4.5907 4.5907 4.9136 4.9136 5.1613 5.1613 5.2726 5.2726 10.8524 10.8524 11.0738 11.0738 12.6829 12.6829 12.7776 12.7776 12.8699 12.8699 14.0553 14.0553 k = 0.4667 0.3464-0.0000 ( 4388 PWs) bands (ev): -32.2866 -32.2866 -13.8391 -13.8391 -13.5265 -13.5265 -13.3102 -13.3102 -12.8460 -12.8460 -12.7453 -12.7453 -11.7660 -11.7660 -11.1634 -11.1634 -10.6497 -10.6497 -10.4644 -10.4644 -2.5397 -2.5397 -1.1720 -1.1720 0.4725 0.4725 0.9551 0.9551 1.3458 1.3458 1.4870 1.4870 1.9820 1.9820 2.9595 2.9595 3.1736 3.1736 3.8638 3.8638 4.0706 4.0706 4.1221 4.1221 4.4695 4.4695 4.5468 4.5468 4.5910 4.5910 4.9163 4.9163 5.1609 5.1609 5.2717 5.2717 10.8530 10.8530 11.0744 11.0744 12.6837 12.6837 12.7753 12.7753 12.8654 12.8654 14.0444 14.0444 k = 0.4583 0.3608-0.0000 ( 4388 PWs) bands (ev): -32.2866 -32.2866 -13.8358 -13.8358 -13.5282 -13.5282 -13.3140 -13.3140 -12.8444 -12.8444 -12.7382 -12.7382 -11.7762 -11.7762 -11.1587 -11.1587 -10.6717 -10.6717 -10.4455 -10.4455 -2.5218 -2.5218 -1.1917 -1.1917 0.4775 0.4775 0.9435 0.9435 1.3453 1.3453 1.5122 1.5122 1.9888 1.9888 2.9495 2.9495 3.1220 3.1220 3.9047 3.9047 4.0716 4.0716 4.1281 4.1281 4.4695 4.4695 4.5402 4.5402 4.5916 4.5916 4.9197 4.9197 5.1602 5.1602 5.2707 5.2707 10.8539 10.8539 11.0750 11.0750 12.6844 12.6844 12.7724 12.7724 12.8597 12.8597 14.0316 14.0316 k = 0.4500 0.3753-0.0000 ( 4388 PWs) bands (ev): -32.2866 -32.2866 -13.8319 -13.8319 -13.5301 -13.5301 -13.3183 -13.3183 -12.8422 -12.8422 -12.7301 -12.7301 -11.7883 -11.7883 -11.1530 -11.1530 -10.6939 -10.6939 -10.4271 -10.4271 -2.5000 -2.5000 -1.2156 -1.2156 0.4835 0.4835 0.9306 0.9306 1.3458 1.3458 1.5403 1.5403 1.9973 1.9973 2.9377 2.9377 3.0662 3.0662 3.9474 3.9474 4.0720 4.0720 4.1361 4.1361 4.4692 4.4692 4.5330 4.5330 4.5922 4.5922 4.9239 4.9239 5.1589 5.1589 5.2695 5.2695 10.8552 10.8552 11.0756 11.0756 12.6849 12.6849 12.7692 12.7692 12.8531 12.8531 14.0172 14.0172 k = 0.4417 0.3897-0.0000 ( 4384 PWs) bands (ev): -32.2866 -32.2866 -13.8275 -13.8275 -13.5324 -13.5324 -13.3229 -13.3229 -12.8395 -12.8395 -12.7214 -12.7214 -11.8019 -11.8019 -11.1463 -11.1463 -10.7161 -10.7161 -10.4095 -10.4095 -2.4746 -2.4746 -1.2433 -1.2433 0.4906 0.4906 0.9165 0.9165 1.3470 1.3470 1.5707 1.5707 2.0075 2.0075 2.9243 2.9243 3.0076 3.0076 3.9906 3.9906 4.0717 4.0717 4.1457 4.1457 4.4679 4.4679 4.5256 4.5256 4.5929 4.5929 4.9287 4.9287 5.1570 5.1570 5.2683 5.2683 10.8571 10.8571 11.0760 11.0760 12.6849 12.6849 12.7658 12.7658 12.8458 12.8458 14.0016 14.0016 k = 0.4333 0.4041-0.0000 ( 4384 PWs) bands (ev): -32.2866 -32.2866 -13.8225 -13.8225 -13.5351 -13.5351 -13.3277 -13.3277 -12.8361 -12.8361 -12.7124 -12.7124 -11.8168 -11.8168 -11.1386 -11.1386 -10.7382 -10.7382 -10.3928 -10.3928 -2.4455 -2.4455 -1.2747 -1.2747 0.4988 0.4988 0.9017 0.9017 1.3487 1.3487 1.6028 1.6028 2.0194 2.0194 2.9094 2.9094 2.9475 2.9475 4.0333 4.0333 4.0708 4.0708 4.1568 4.1568 4.4652 4.4652 4.5191 4.5191 4.5935 4.5935 4.9342 4.9342 5.1541 5.1541 5.2670 5.2670 10.8597 10.8597 11.0761 11.0761 12.6842 12.6842 12.7625 12.7625 12.8378 12.8378 13.9854 13.9854 k = 0.4250 0.4186-0.0000 ( 4388 PWs) bands (ev): -32.2866 -32.2866 -13.8172 -13.8172 -13.5380 -13.5380 -13.3326 -13.3326 -12.8320 -12.8320 -12.7034 -12.7034 -11.8327 -11.8327 -11.1299 -11.1299 -10.7602 -10.7602 -10.3772 -10.3772 -2.4128 -2.4128 -1.3097 -1.3097 0.5081 0.5081 0.8863 0.8863 1.3508 1.3508 1.6364 1.6364 2.0331 2.0331 2.8820 2.8820 2.8976 2.8976 4.0671 4.0671 4.0771 4.0771 4.1690 4.1690 4.4601 4.4601 4.5144 4.5144 4.5940 4.5940 4.9403 4.9403 5.1503 5.1503 5.2656 5.2656 10.8631 10.8631 11.0757 11.0757 12.6825 12.6825 12.7593 12.7593 12.8294 12.8294 13.9693 13.9693 k = 0.4167 0.4330-0.0000 ( 4380 PWs) bands (ev): -32.2866 -32.2866 -13.8115 -13.8115 -13.5412 -13.5412 -13.3373 -13.3373 -12.8272 -12.8272 -12.6949 -12.6949 -11.8492 -11.8492 -11.1203 -11.1203 -10.7819 -10.7819 -10.3628 -10.3628 -2.3767 -2.3767 -1.3479 -1.3479 0.5185 0.5185 0.8705 0.8705 1.3531 1.3531 1.6709 1.6709 2.0487 2.0487 2.8215 2.8215 2.8795 2.8795 4.0663 4.0663 4.1160 4.1160 4.1820 4.1820 4.4524 4.4524 4.5121 4.5121 4.5943 4.5943 4.9470 4.9470 5.1452 5.1452 5.2644 5.2644 10.8674 10.8674 11.0747 11.0747 12.6798 12.6798 12.7567 12.7567 12.8208 12.8208 13.9540 13.9540 k = 0.4083 0.4474-0.0000 ( 4382 PWs) bands (ev): -32.2866 -32.2866 -13.8057 -13.8057 -13.5446 -13.5446 -13.3419 -13.3419 -12.8217 -12.8217 -12.6871 -12.6871 -11.8658 -11.8658 -11.1098 -11.1098 -10.8034 -10.8034 -10.3496 -10.3496 -2.3374 -2.3374 -1.3892 -1.3892 0.5299 0.5299 0.8544 0.8544 1.3554 1.3554 1.7060 1.7060 2.0660 2.0660 2.7589 2.7589 2.8629 2.8629 4.0640 4.0640 4.1538 4.1538 4.1956 4.1956 4.4423 4.4423 4.5123 4.5123 4.5943 4.5943 4.9544 4.9544 5.1389 5.1389 5.2632 5.2632 10.8728 10.8728 11.0729 11.0729 12.6760 12.6760 12.7544 12.7544 12.8124 12.8124 13.9401 13.9401 k = 0.4000 0.4619-0.0000 ( 4399 PWs) bands (ev): -32.2866 -32.2866 -13.7998 -13.7998 -13.5481 -13.5481 -13.3461 -13.3461 -12.8155 -12.8155 -12.6804 -12.6804 -11.8822 -11.8822 -11.0984 -11.0984 -10.8247 -10.8247 -10.3377 -10.3377 -2.2950 -2.2950 -1.4333 -1.4333 0.5422 0.5422 0.8381 0.8381 1.3576 1.3576 1.7412 1.7412 2.0851 2.0851 2.6964 2.6964 2.8465 2.8465 4.0614 4.0614 4.1891 4.1891 4.2095 4.2095 4.4307 4.4307 4.5144 4.5144 4.5938 4.5938 4.9624 4.9624 5.1313 5.1313 5.2621 5.2621 10.8795 10.8795 11.0701 11.0701 12.6713 12.6713 12.7525 12.7525 12.8043 12.8043 13.9283 13.9283 k = 0.3917 0.4763-0.0000 ( 4387 PWs) bands (ev): -32.2866 -32.2866 -13.7940 -13.7940 -13.5515 -13.5515 -13.3499 -13.3499 -12.8084 -12.8084 -12.6753 -12.6753 -11.8978 -11.8978 -11.0862 -11.0862 -10.8456 -10.8456 -10.3272 -10.3272 -2.2496 -2.2496 -1.4801 -1.4801 0.5555 0.5555 0.8216 0.8216 1.3596 1.3596 1.7762 1.7762 2.1058 2.1058 2.6345 2.6345 2.8304 2.8304 4.0587 4.0587 4.2192 4.2192 4.2254 4.2254 4.4181 4.4181 4.5181 4.5181 4.5928 4.5928 4.9710 4.9710 5.1224 5.1224 5.2611 5.2611 10.8874 10.8874 11.0661 11.0661 12.6663 12.6663 12.7507 12.7507 12.7970 12.7970 13.9187 13.9187 k = 0.3833 0.4907-0.0000 ( 4389 PWs) bands (ev): -32.2866 -32.2866 -13.7885 -13.7885 -13.5549 -13.5549 -13.3532 -13.3532 -12.8007 -12.8007 -12.6719 -12.6719 -11.9123 -11.9123 -11.0731 -11.0731 -10.8661 -10.8661 -10.3181 -10.3181 -2.2015 -2.2015 -1.5293 -1.5293 0.5695 0.5695 0.8051 0.8051 1.3614 1.3614 1.8105 1.8105 2.1281 2.1281 2.5736 2.5736 2.8150 2.8150 4.0560 4.0560 4.2354 4.2354 4.2513 4.2513 4.4053 4.4053 4.5232 4.5232 4.5912 4.5912 4.9801 4.9801 5.1122 5.1122 5.2602 5.2602 10.8968 10.8968 11.0607 11.0607 12.6613 12.6613 12.7488 12.7488 12.7904 12.7904 13.9115 13.9115 k = 0.3750 0.5052-0.0000 ( 4399 PWs) bands (ev): -32.2866 -32.2866 -13.7834 -13.7834 -13.5580 -13.5580 -13.3561 -13.3561 -12.7922 -12.7922 -12.6707 -12.6707 -11.9252 -11.9252 -11.0593 -11.0593 -10.8863 -10.8863 -10.3104 -10.3104 -2.1508 -2.1508 -1.5808 -1.5808 0.5842 0.5842 0.7886 0.7886 1.3629 1.3629 1.8434 1.8434 2.1517 2.1517 2.5144 2.5144 2.8007 2.8007 4.0534 4.0534 4.2486 4.2486 4.2755 4.2755 4.3930 4.3930 4.5294 4.5294 4.5890 4.5890 4.9898 4.9898 5.1011 5.1011 5.2595 5.2595 10.9076 10.9076 11.0536 11.0536 12.6566 12.6566 12.7465 12.7465 12.7849 12.7849 13.9065 13.9065 k = 0.3667 0.5196-0.0000 ( 4397 PWs) bands (ev): -32.2866 -32.2866 -13.7790 -13.7790 -13.5607 -13.5607 -13.3584 -13.3584 -12.7832 -12.7832 -12.6717 -12.6717 -11.9362 -11.9362 -11.0447 -11.0447 -10.9060 -10.9060 -10.3041 -10.3041 -2.0978 -2.0978 -1.6343 -1.6343 0.5992 0.5992 0.7724 0.7724 1.3640 1.3640 1.8743 1.8743 2.1762 2.1762 2.4577 2.4577 2.7879 2.7879 4.0511 4.0511 4.2611 4.2611 4.2947 4.2947 4.3820 4.3820 4.5365 4.5365 4.5860 4.5860 4.9998 4.9998 5.0891 5.0891 5.2589 5.2589 10.9201 10.9201 11.0447 11.0447 12.6527 12.6527 12.7441 12.7441 12.7803 12.7803 13.9035 13.9035 k = 0.3583 0.5340-0.0000 ( 4405 PWs) bands (ev): -32.2866 -32.2866 -13.7753 -13.7753 -13.5630 -13.5630 -13.3602 -13.3602 -12.7737 -12.7737 -12.6749 -12.6749 -11.9449 -11.9449 -11.0295 -11.0295 -10.9253 -10.9253 -10.2993 -10.2993 -2.0427 -2.0427 -1.6896 -1.6896 0.6140 0.6140 0.7568 0.7568 1.3649 1.3649 1.9021 1.9021 2.2014 2.2014 2.4046 2.4046 2.7770 2.7770 4.0491 4.0491 4.2727 4.2727 4.3073 4.3073 4.3737 4.3737 4.5442 4.5442 4.5823 4.5823 5.0101 5.0101 5.0767 5.0767 5.2584 5.2584 10.9341 10.9341 11.0338 11.0338 12.6498 12.6498 12.7415 12.7415 12.7768 12.7768 13.9021 13.9021 k = 0.3500 0.5485-0.0000 ( 4409 PWs) bands (ev): -32.2866 -32.2866 -13.7726 -13.7726 -13.5646 -13.5646 -13.3615 -13.3615 -12.7645 -12.7645 -12.6798 -12.6798 -11.9512 -11.9512 -11.0136 -11.0136 -10.9441 -10.9441 -10.2958 -10.2958 -1.9858 -1.9858 -1.7466 -1.7466 0.6276 0.6276 0.7427 0.7427 1.3655 1.3655 1.9251 1.9251 2.2265 2.2265 2.3569 2.3569 2.7686 2.7686 4.0475 4.0475 4.2835 4.2835 4.3120 4.3120 4.3696 4.3696 4.5520 4.5520 4.5780 4.5780 5.0204 5.0204 5.0643 5.0643 5.2580 5.2580 10.9499 10.9499 11.0205 11.0205 12.6480 12.6480 12.7392 12.7392 12.7741 12.7741 13.9019 13.9019 k = 0.3417 0.5629-0.0000 ( 4417 PWs) bands (ev): -32.2866 -32.2866 -13.7709 -13.7709 -13.5656 -13.5656 -13.3623 -13.3623 -12.7569 -12.7569 -12.6849 -12.6849 -11.9549 -11.9549 -10.9971 -10.9971 -10.9623 -10.9623 -10.2938 -10.2938 -1.9276 -1.9276 -1.8048 -1.8048 0.6382 0.6382 0.7319 0.7319 1.3658 1.3658 1.9411 1.9411 2.2498 2.2498 2.3183 2.3183 2.7631 2.7631 4.0465 4.0465 4.2931 4.2931 4.3095 4.3095 4.3693 4.3693 4.5593 4.5593 4.5733 4.5733 5.0305 5.0305 5.0528 5.0528 5.2577 5.2577 10.9672 10.9672 11.0048 11.0048 12.6472 12.6472 12.7375 12.7375 12.7724 12.7724 13.9022 13.9022 k = 0.3333 0.5774-0.0000 ( 4413 PWs) bands (ev): -32.2866 -32.2866 -13.7703 -13.7703 -13.5659 -13.5659 -13.3625 -13.3625 -12.7535 -12.7535 -12.6875 -12.6875 -11.9561 -11.9561 -10.9810 -10.9810 -10.9789 -10.9789 -10.2931 -10.2931 -1.8783 -1.8783 -1.8540 -1.8540 0.6424 0.6424 0.7277 0.7277 1.3659 1.3659 1.9471 1.9471 2.2623 2.2623 2.3000 2.3000 2.7611 2.7611 4.0461 4.0461 4.2997 4.2997 4.3046 4.3046 4.3698 4.3698 4.5635 4.5635 4.5700 4.5700 5.0376 5.0376 5.0451 5.0451 5.2576 5.2576 10.9856 10.9856 10.9870 10.9870 12.6470 12.6470 12.7368 12.7368 12.7718 12.7718 13.9024 13.9024 k = 0.3333 0.5774-0.0000 ( 4413 PWs) bands (ev): -32.2866 -32.2866 -13.7703 -13.7703 -13.5659 -13.5659 -13.3625 -13.3625 -12.7535 -12.7535 -12.6875 -12.6875 -11.9561 -11.9561 -10.9810 -10.9810 -10.9789 -10.9789 -10.2931 -10.2931 -1.8783 -1.8783 -1.8540 -1.8540 0.6424 0.6424 0.7277 0.7277 1.3659 1.3659 1.9471 1.9471 2.2623 2.2623 2.3000 2.3000 2.7611 2.7611 4.0461 4.0461 4.2997 4.2997 4.3046 4.3046 4.3698 4.3698 4.5635 4.5635 4.5700 4.5700 5.0376 5.0376 5.0451 5.0451 5.2576 5.2576 10.9856 10.9856 10.9870 10.9870 12.6470 12.6470 12.7368 12.7368 12.7718 12.7718 13.9024 13.9024 k = 0.3250 0.5629-0.0000 ( 4419 PWs) bands (ev): -32.2866 -32.2866 -13.7709 -13.7709 -13.5656 -13.5656 -13.3623 -13.3623 -12.7577 -12.7577 -12.6841 -12.6841 -11.9550 -11.9550 -10.9970 -10.9970 -10.9623 -10.9623 -10.2938 -10.2938 -1.9288 -1.9288 -1.8036 -1.8036 0.6380 0.6380 0.7321 0.7321 1.3658 1.3658 1.9405 1.9405 2.2553 2.2553 2.3131 2.3131 2.7633 2.7633 4.0465 4.0465 4.2932 4.2932 4.3100 4.3100 4.3687 4.3687 4.5596 4.5596 4.5728 4.5728 5.0316 5.0316 5.0518 5.0518 5.2577 5.2577 10.9649 10.9649 11.0070 11.0070 12.6470 12.6470 12.7377 12.7377 12.7725 12.7725 13.9020 13.9020 k = 0.3167 0.5485-0.0000 ( 4415 PWs) bands (ev): -32.2866 -32.2866 -13.7726 -13.7726 -13.5648 -13.5648 -13.3615 -13.3615 -12.7695 -12.7695 -12.6740 -12.6740 -11.9516 -11.9516 -11.0133 -11.0133 -10.9443 -10.9443 -10.2957 -10.2957 -1.9908 -1.9908 -1.7419 -1.7419 0.6265 0.6265 0.7435 0.7435 1.3656 1.3656 1.9209 1.9209 2.2518 2.2518 2.3345 2.3345 2.7700 2.7700 4.0477 4.0477 4.2844 4.2844 4.3158 4.3158 4.3648 4.3648 4.5534 4.5534 4.5759 4.5759 5.0251 5.0251 5.0605 5.0605 5.2581 5.2581 10.9404 10.9404 11.0293 11.0293 12.6464 12.6464 12.7408 12.7408 12.7747 12.7747 13.9002 13.9002 k = 0.3083 0.5340-0.0000 ( 4411 PWs) bands (ev): -32.2866 -32.2866 -13.7753 -13.7753 -13.5636 -13.5636 -13.3604 -13.3604 -12.7868 -12.7868 -12.6594 -12.6594 -11.9464 -11.9464 -11.0289 -11.0289 -10.9259 -10.9259 -10.2988 -10.2988 -2.0542 -2.0542 -1.6792 -1.6792 0.6110 0.6110 0.7587 0.7587 1.3653 1.3653 1.8908 1.8908 2.2568 2.2568 2.3560 2.3560 2.7818 2.7818 4.0499 4.0499 4.2757 4.2757 4.3202 4.3202 4.3577 4.3577 4.5468 4.5468 4.5776 4.5776 5.0209 5.0209 5.0684 5.0684 5.2587 5.2587 10.9126 10.9126 11.0531 11.0531 12.6449 12.6449 12.7465 12.7465 12.7787 12.7787 13.8965 13.8965 k = 0.3000 0.5196-0.0000 ( 4405 PWs) bands (ev): -32.2866 -32.2866 -13.7790 -13.7790 -13.5621 -13.5621 -13.3588 -13.3588 -12.8074 -12.8074 -12.6418 -12.6418 -11.9397 -11.9397 -11.0437 -11.0437 -10.9071 -10.9071 -10.3030 -10.3030 -2.1187 -2.1187 -1.6160 -1.6160 0.5934 0.5934 0.7757 0.7757 1.3649 1.3649 1.8536 1.8536 2.2680 2.2680 2.3766 2.3766 2.7988 2.7988 4.0531 4.0531 4.2673 4.2673 4.3226 4.3226 4.3471 4.3471 4.5403 4.5403 4.5778 4.5778 5.0193 5.0193 5.0752 5.0752 5.2596 5.2596 10.8813 10.8813 11.0785 11.0785 12.6421 12.6421 12.7550 12.7550 12.7846 12.7846 13.8903 13.8903 k = 0.2917 0.5052-0.0000 ( 4407 PWs) bands (ev): -32.2866 -32.2866 -13.7835 -13.7835 -13.5605 -13.5605 -13.3569 -13.3569 -12.8303 -12.8303 -12.6220 -12.6220 -11.9316 -11.9316 -11.0577 -11.0577 -10.8881 -10.8881 -10.3083 -10.3083 -2.1839 -2.1839 -1.5527 -1.5527 0.5746 0.5746 0.7935 0.7935 1.3645 1.3645 1.8123 1.8123 2.2825 2.2825 2.3961 2.3961 2.8211 2.8211 4.0573 4.0573 4.2590 4.2590 4.3224 4.3224 4.3338 4.3338 4.5342 4.5342 4.5769 4.5769 5.0201 5.0201 5.0807 5.0807 5.2609 5.2609 10.8463 10.8463 11.1051 11.1051 12.6383 12.6383 12.7659 12.7659 12.7927 12.7927 13.8807 13.8807 k = 0.2833 0.4907-0.0000 ( 4411 PWs) bands (ev): -32.2866 -32.2866 -13.7888 -13.7888 -13.5591 -13.5591 -13.3546 -13.3546 -12.8547 -12.8547 -12.6004 -12.6004 -11.9227 -11.9227 -11.0708 -11.0708 -10.8688 -10.8688 -10.3145 -10.3145 -2.2499 -2.2499 -1.4895 -1.4895 0.5553 0.5553 0.8112 0.8112 1.3642 1.3642 1.7689 1.7689 2.2982 2.2982 2.4147 2.4147 2.8484 2.8484 4.0627 4.0627 4.2500 4.2500 4.3150 4.3150 4.3232 4.3232 4.5291 4.5291 4.5755 4.5755 5.0231 5.0231 5.0845 5.0845 5.2626 5.2626 10.8075 10.8075 11.1331 11.1331 12.6339 12.6339 12.7781 12.7781 12.8036 12.8036 13.8671 13.8671 k = 0.2750 0.4763-0.0000 ( 4413 PWs) bands (ev): -32.2866 -32.2866 -13.7947 -13.7947 -13.5578 -13.5578 -13.3520 -13.3520 -12.8800 -12.8800 -12.5772 -12.5772 -11.9130 -11.9130 -11.0831 -11.0831 -10.8494 -10.8494 -10.3215 -10.3215 -2.3165 -2.3165 -1.4267 -1.4267 0.5357 0.5357 0.8287 0.8287 1.3638 1.3638 1.7247 1.7247 2.3138 2.3138 2.4330 2.4330 2.8802 2.8802 4.0692 4.0692 4.2383 4.2383 4.3004 4.3004 4.3172 4.3172 4.5253 4.5253 4.5738 4.5738 5.0279 5.0279 5.0866 5.0866 5.2647 5.2647 10.7648 10.7648 11.1622 11.1622 12.6297 12.6297 12.7906 12.7906 12.8178 12.8178 13.8487 13.8487 k = 0.2667 0.4619-0.0000 ( 4417 PWs) bands (ev): -32.2866 -32.2866 -13.8011 -13.8011 -13.5569 -13.5569 -13.3492 -13.3492 -12.9058 -12.9058 -12.5524 -12.5524 -11.9030 -11.9030 -11.0944 -11.0944 -10.8299 -10.8299 -10.3293 -10.3293 -2.3835 -2.3835 -1.3646 -1.3646 0.5162 0.5162 0.8454 0.8454 1.3636 1.3636 1.6805 1.6805 2.3282 2.3282 2.4515 2.4515 2.9163 2.9163 4.0770 4.0770 4.2213 4.2213 4.2885 4.2885 4.3090 4.3090 4.5231 4.5231 4.5723 4.5723 5.0340 5.0340 5.0870 5.0870 5.2671 5.2671 10.7182 10.7182 11.1924 11.1924 12.6262 12.6262 12.8028 12.8028 12.8352 12.8352 13.8252 13.8252 k = 0.2583 0.4474-0.0000 ( 4417 PWs) bands (ev): -32.2866 -32.2866 -13.8080 -13.8080 -13.5564 -13.5564 -13.3462 -13.3462 -12.9318 -12.9318 -12.5263 -12.5263 -11.8928 -11.8928 -11.1049 -11.1049 -10.8103 -10.8103 -10.3376 -10.3376 -2.4508 -2.4508 -1.3034 -1.3034 0.4969 0.4969 0.8611 0.8611 1.3634 1.3634 1.6369 1.6369 2.3408 2.3408 2.4708 2.4708 2.9560 2.9560 4.0859 4.0859 4.1979 4.1979 4.2817 4.2817 4.2977 4.2977 4.5228 4.5228 4.5711 4.5711 5.0410 5.0410 5.0855 5.0855 5.2696 5.2696 10.6675 10.6675 11.2236 11.2236 12.6237 12.6237 12.8147 12.8147 12.8550 12.8550 13.7969 13.7969 k = 0.2500 0.4330-0.0000 ( 4397 PWs) bands (ev): -32.2866 -32.2866 -13.8153 -13.8153 -13.5564 -13.5564 -13.3429 -13.3429 -12.9577 -12.9577 -12.4988 -12.4988 -11.8826 -11.8826 -11.1145 -11.1145 -10.7908 -10.7908 -10.3465 -10.3465 -2.5184 -2.5184 -1.2433 -1.2433 0.4781 0.4781 0.8756 0.8756 1.3632 1.3632 1.5942 1.5942 2.3511 2.3511 2.4916 2.4916 2.9989 2.9989 4.0961 4.0961 4.1696 4.1696 4.2789 4.2789 4.2840 4.2840 4.5243 4.5243 4.5701 4.5701 5.0485 5.0485 5.0823 5.0823 5.2722 5.2722 10.6129 10.6129 11.2556 11.2556 12.6229 12.6229 12.8266 12.8266 12.8765 12.8765 13.7642 13.7642 k = 0.2417 0.4186-0.0000 ( 4405 PWs) bands (ev): -32.2867 -32.2867 -13.8230 -13.8230 -13.5569 -13.5569 -13.3397 -13.3397 -12.9831 -12.9831 -12.4702 -12.4702 -11.8726 -11.8726 -11.1232 -11.1232 -10.7713 -10.7713 -10.3558 -10.3558 -2.5860 -2.5860 -1.1847 -1.1847 0.4598 0.4598 0.8887 0.8887 1.3629 1.3629 1.5527 1.5527 2.3584 2.3584 2.5143 2.5143 3.0446 3.0446 4.1071 4.1071 4.1386 4.1386 4.2653 4.2653 4.2817 4.2817 4.5276 4.5276 4.5695 4.5695 5.0560 5.0560 5.0775 5.0775 5.2747 5.2747 10.5542 10.5542 11.2882 11.2882 12.6240 12.6240 12.8386 12.8386 12.8987 12.8987 13.7278 13.7278 k = 0.2333 0.4041-0.0000 ( 4405 PWs) bands (ev): -32.2867 -32.2867 -13.8309 -13.8309 -13.5581 -13.5581 -13.3364 -13.3364 -13.0080 -13.0080 -12.4404 -12.4404 -11.8629 -11.8629 -11.1311 -11.1311 -10.7520 -10.7520 -10.3653 -10.3653 -2.6536 -2.6536 -1.1276 -1.1276 0.4423 0.4423 0.9003 0.9003 1.3623 1.3623 1.5130 1.5130 2.3624 2.3624 2.5395 2.5395 3.0927 3.0927 4.1048 4.1048 4.1207 4.1207 4.2455 4.2455 4.2856 4.2856 4.5324 4.5324 4.5692 4.5692 5.0628 5.0628 5.0717 5.0717 5.2769 5.2769 10.4918 10.4918 11.3213 11.3213 12.6271 12.6271 12.8506 12.8506 12.9212 12.9212 13.6884 13.6884 k = 0.2250 0.3897-0.0000 ( 4409 PWs) bands (ev): -32.2867 -32.2867 -13.8392 -13.8392 -13.5598 -13.5598 -13.3331 -13.3331 -13.0320 -13.0320 -12.4096 -12.4096 -11.8536 -11.8536 -11.1383 -11.1383 -10.7330 -10.7330 -10.3749 -10.3749 -2.7211 -2.7211 -1.0724 -1.0724 0.4258 0.4258 0.9102 0.9102 1.3608 1.3608 1.4755 1.4755 2.3626 2.3626 2.5676 2.5676 3.1430 3.1430 4.0730 4.0730 4.1324 4.1324 4.2241 4.2241 4.2918 4.2918 4.5384 4.5384 4.5692 4.5692 5.0617 5.0617 5.0720 5.0720 5.2786 5.2786 10.4258 10.4258 11.3549 11.3549 12.6325 12.6325 12.8626 12.8626 12.9435 12.9435 13.6469 13.6469 k = 0.2167 0.3753-0.0000 ( 4409 PWs) bands (ev): -32.2867 -32.2867 -13.8478 -13.8478 -13.5620 -13.5620 -13.3298 -13.3298 -13.0550 -13.0550 -12.3779 -12.3779 -11.8448 -11.8448 -11.1449 -11.1449 -10.7142 -10.7142 -10.3845 -10.3845 -2.7883 -2.7883 -1.0190 -1.0190 0.4104 0.4104 0.9183 0.9183 1.3570 1.3570 1.4420 1.4420 2.3586 2.3586 2.5987 2.5987 3.1951 3.1951 4.0413 4.0413 4.1429 4.1429 4.2034 4.2034 4.2999 4.2999 4.5453 4.5453 4.5697 4.5697 5.0531 5.0531 5.0780 5.0780 5.2797 5.2797 10.3563 10.3563 11.3887 11.3887 12.6402 12.6402 12.8745 12.8745 12.9651 12.9651 13.6037 13.6037 k = 0.2083 0.3608-0.0000 ( 4413 PWs) bands (ev): -32.2867 -32.2867 -13.8565 -13.8565 -13.5649 -13.5649 -13.3266 -13.3266 -13.0770 -13.0770 -12.3454 -12.3454 -11.8365 -11.8365 -11.1510 -11.1510 -10.6957 -10.6957 -10.3940 -10.3940 -2.8550 -2.8550 -0.9678 -0.9678 0.3963 0.3963 0.9246 0.9246 1.3475 1.3475 1.4157 1.4157 2.3503 2.3503 2.6331 2.6331 3.2488 3.2488 4.0112 4.0112 4.1433 4.1433 4.1922 4.1922 4.3098 4.3098 4.5524 4.5524 4.5708 4.5708 5.0429 5.0429 5.0838 5.0838 5.2801 5.2801 10.2836 10.2836 11.4226 11.4226 12.6501 12.6501 12.8861 12.8861 12.9855 12.9855 13.5593 13.5593 k = 0.2000 0.3464-0.0000 ( 4405 PWs) bands (ev): -32.2867 -32.2867 -13.8655 -13.8655 -13.5682 -13.5682 -13.3235 -13.3235 -13.0977 -13.0977 -12.3122 -12.3122 -11.8287 -11.8287 -11.1566 -11.1566 -10.6777 -10.6777 -10.4031 -10.4031 -2.9211 -2.9211 -0.9188 -0.9188 0.3835 0.3835 0.9291 0.9291 1.3285 1.3285 1.4008 1.4008 2.3374 2.3374 2.6709 2.6709 3.3038 3.3038 3.9832 3.9832 4.1253 4.1253 4.1989 4.1989 4.3213 4.3213 4.5587 4.5587 4.5733 4.5733 5.0316 5.0316 5.0888 5.0888 5.2796 5.2796 10.2080 10.2080 11.4565 11.4565 12.6621 12.6621 12.8973 12.8973 13.0045 13.0045 13.5143 13.5143 k = 0.1917 0.3320-0.0000 ( 4395 PWs) bands (ev): -32.2867 -32.2867 -13.8748 -13.8748 -13.5719 -13.5719 -13.3205 -13.3205 -13.1171 -13.1171 -12.2785 -12.2785 -11.8214 -11.8214 -11.1620 -11.1620 -10.6601 -10.6601 -10.4119 -10.4119 -2.9865 -2.9865 -0.8720 -0.8720 0.3723 0.3723 0.9319 0.9319 1.3019 1.3019 1.3951 1.3951 2.3199 2.3199 2.7119 2.7119 3.3599 3.3599 3.9577 3.9577 4.0986 4.0986 4.2142 4.2142 4.3342 4.3342 4.5629 4.5629 4.5784 4.5784 5.0194 5.0194 5.0929 5.0929 5.2782 5.2782 10.1298 10.1298 11.4903 11.4903 12.6761 12.6761 12.9080 12.9080 13.0218 13.0218 13.4689 13.4689 k = 0.1833 0.3175-0.0000 ( 4391 PWs) bands (ev): -32.2867 -32.2867 -13.8842 -13.8842 -13.5761 -13.5761 -13.3177 -13.3177 -13.1351 -13.1351 -12.2444 -12.2444 -11.8146 -11.8146 -11.1672 -11.1672 -10.6431 -10.6431 -10.4202 -10.4202 -3.0509 -3.0509 -0.8277 -0.8277 0.3626 0.3626 0.9331 0.9331 1.2724 1.2724 1.3941 1.3941 2.2979 2.2979 2.7561 2.7561 3.4165 3.4165 3.9352 3.9352 4.0691 4.0691 4.2326 4.2326 4.3483 4.3483 4.5650 4.5650 4.5855 4.5855 5.0067 5.0067 5.0961 5.0961 5.2758 5.2758 10.0494 10.0494 11.5237 11.5237 12.6919 12.6919 12.9182 12.9182 13.0369 13.0369 13.4236 13.4236 k = 0.1750 0.3031-0.0000 ( 4383 PWs) bands (ev): -32.2867 -32.2867 -13.8937 -13.8937 -13.5805 -13.5805 -13.3151 -13.3151 -13.1519 -13.1519 -12.2101 -12.2101 -11.8082 -11.8082 -11.1724 -11.1724 -10.6266 -10.6266 -10.4279 -10.4279 -3.1143 -3.1143 -0.7858 -0.7858 0.3547 0.3547 0.9327 0.9327 1.2425 1.2425 1.3952 1.3952 2.2713 2.2713 2.8034 2.8034 3.4733 3.4733 3.9157 3.9157 4.0387 4.0387 4.2525 4.2525 4.3635 4.3635 4.5663 4.5663 4.5933 4.5933 4.9937 4.9937 5.0982 5.0982 5.2723 5.2723 9.9672 9.9672 11.5567 11.5567 12.7091 12.7091 12.9276 12.9276 13.0498 13.0498 13.3785 13.3785 k = 0.1667 0.2887-0.0000 ( 4383 PWs) bands (ev): -32.2867 -32.2867 -13.9035 -13.9035 -13.5852 -13.5852 -13.3127 -13.3127 -13.1673 -13.1673 -12.1756 -12.1756 -11.8022 -11.8022 -11.1777 -11.1777 -10.6108 -10.6108 -10.4348 -10.4348 -3.1764 -3.1764 -0.7463 -0.7463 0.3486 0.3486 0.9309 0.9309 1.2133 1.2133 1.3977 1.3977 2.2406 2.2406 2.8534 2.8534 3.5293 3.5293 3.8994 3.8994 4.0088 4.0088 4.2734 4.2734 4.3796 4.3796 4.5674 4.5674 4.6008 4.6008 4.9806 4.9806 5.0993 5.0993 5.2677 5.2677 9.8835 9.8835 11.5892 11.5892 12.7275 12.7275 12.9364 12.9364 13.0602 13.0602 13.3340 13.3340 k = 0.1583 0.2742-0.0000 ( 4375 PWs) bands (ev): -32.2867 -32.2867 -13.9133 -13.9133 -13.5901 -13.5901 -13.3104 -13.3104 -13.1813 -13.1813 -12.1413 -12.1413 -11.7965 -11.7965 -11.1833 -11.1833 -10.5956 -10.5956 -10.4411 -10.4411 -3.2371 -3.2371 -0.7094 -0.7094 0.3443 0.3443 0.9279 0.9279 1.1851 1.1851 1.4009 1.4009 2.2059 2.2059 2.9059 2.9059 3.5833 3.5833 3.8863 3.8863 3.9808 3.9808 4.2950 4.2950 4.3962 4.3962 4.5687 4.5687 4.6074 4.6074 4.9679 4.9679 5.0992 5.0992 5.2620 5.2620 9.7988 9.7988 11.6211 11.6211 12.7468 12.7468 12.9443 12.9443 13.0682 13.0682 13.2904 13.2904 k = 0.1500 0.2598-0.0000 ( 4379 PWs) bands (ev): -32.2867 -32.2867 -13.9231 -13.9231 -13.5950 -13.5950 -13.3084 -13.3084 -13.1940 -13.1940 -12.1072 -12.1072 -11.7910 -11.7910 -11.1891 -11.1891 -10.5812 -10.5812 -10.4465 -10.4465 -3.2962 -3.2962 -0.6749 -0.6749 0.3419 0.3419 0.9238 0.9238 1.1582 1.1582 1.4047 1.4047 2.1677 2.1677 2.9606 2.9606 3.6328 3.6328 3.8761 3.8761 3.9575 3.9575 4.3169 4.3169 4.4130 4.4130 4.5706 4.5706 4.6127 4.6127 4.9558 4.9558 5.0979 5.0979 5.2551 5.2551 9.7135 9.7135 11.6522 11.6522 12.7666 12.7666 12.9514 12.9514 13.0734 13.0734 13.2480 13.2480 k = 0.1417 0.2454-0.0000 ( 4373 PWs) bands (ev): -32.2867 -32.2867 -13.9330 -13.9330 -13.6000 -13.6000 -13.3066 -13.3066 -13.2055 -13.2055 -12.0736 -12.0736 -11.7857 -11.7857 -11.1952 -11.1952 -10.5676 -10.5676 -10.4511 -10.4511 -3.3535 -3.3535 -0.6428 -0.6428 0.3413 0.3413 0.9187 0.9187 1.1327 1.1327 1.4091 1.4091 2.1265 2.1265 3.0172 3.0172 3.6734 3.6734 3.8688 3.8688 3.9432 3.9432 4.3389 4.3389 4.4296 4.4296 4.5734 4.5734 4.6164 4.6164 4.9449 4.9449 5.0955 5.0955 5.2470 5.2470 9.6280 9.6280 11.6824 11.6824 12.7867 12.7867 12.9576 12.9576 13.0758 13.0758 13.2074 13.2074 k = 0.1333 0.2309-0.0000 ( 4377 PWs) bands (ev): -32.2868 -32.2868 -13.9428 -13.9428 -13.6049 -13.6049 -13.3051 -13.3051 -13.2158 -13.2158 -12.0405 -12.0405 -11.7806 -11.7806 -11.2018 -11.2018 -10.5548 -10.5548 -10.4548 -10.4548 -3.4088 -3.4088 -0.6132 -0.6132 0.3426 0.3426 0.9129 0.9129 1.1088 1.1088 1.4138 1.4138 2.0829 2.0829 3.0752 3.0752 3.6984 3.6984 3.8640 3.8640 3.9444 3.9444 4.3605 4.3605 4.4453 4.4453 4.5775 4.5775 4.6182 4.6182 4.9356 4.9356 5.0919 5.0919 5.2377 5.2377 9.5428 9.5428 11.7116 11.7116 12.8067 12.8067 12.9628 12.9628 13.0751 13.0751 13.1692 13.1692 k = 0.1250 0.2165-0.0000 ( 4367 PWs) bands (ev): -32.2868 -32.2868 -13.9525 -13.9525 -13.6096 -13.6096 -13.3038 -13.3038 -13.2250 -13.2250 -12.0083 -12.0083 -11.7755 -11.7755 -11.2088 -11.2088 -10.5428 -10.5428 -10.4577 -10.4577 -3.4620 -3.4620 -0.5859 -0.5859 0.3457 0.3457 0.9065 0.9065 1.0865 1.0865 1.4189 1.4189 2.0372 2.0372 3.1345 3.1345 3.7039 3.7039 3.8615 3.8615 3.9653 3.9653 4.3811 4.3811 4.4596 4.4596 4.5837 4.5837 4.6181 4.6181 4.9282 4.9282 5.0871 5.0871 5.2273 5.2273 9.4584 9.4584 11.7398 11.7398 12.8263 12.8263 12.9670 12.9670 13.0704 13.0704 13.1350 13.1350 k = 0.1167 0.2021-0.0000 ( 4377 PWs) bands (ev): -32.2868 -32.2868 -13.9620 -13.9620 -13.6142 -13.6142 -13.3027 -13.3027 -13.2331 -13.2331 -11.9771 -11.9771 -11.7704 -11.7704 -11.2161 -11.2161 -10.5317 -10.5317 -10.4597 -10.4597 -3.5127 -3.5127 -0.5609 -0.5609 0.3505 0.3505 0.8997 0.8997 1.0657 1.0657 1.4242 1.4242 1.9903 1.9903 3.1945 3.1945 3.6932 3.6932 3.8610 3.8610 4.0022 4.0022 4.3999 4.3999 4.4718 4.4718 4.5923 4.5923 4.6169 4.6169 4.9229 4.9229 5.0811 5.0811 5.2157 5.2157 9.3754 9.3754 11.7668 11.7668 12.8451 12.8451 12.9698 12.9698 13.0591 13.0591 13.1079 13.1079 k = 0.1083 0.1876-0.0000 ( 4379 PWs) bands (ev): -32.2868 -32.2868 -13.9713 -13.9713 -13.6186 -13.6186 -13.3019 -13.3019 -13.2401 -13.2401 -11.9471 -11.9471 -11.7652 -11.7652 -11.2238 -11.2238 -10.5216 -10.5216 -10.4611 -10.4611 -3.5610 -3.5610 -0.5381 -0.5381 0.3569 0.3569 0.8927 0.8927 1.0466 1.0466 1.4296 1.4296 1.9426 1.9426 3.2548 3.2548 3.6732 3.6732 3.8622 3.8622 4.0483 4.0483 4.4153 4.4153 4.4814 4.4814 4.6036 4.6036 4.6159 4.6159 4.9198 4.9198 5.0739 5.0739 5.2030 5.2030 9.2941 9.2941 11.7925 11.7925 12.8626 12.8626 12.9707 12.9707 13.0403 13.0403 13.0906 13.0906 k = 0.1000 0.1732-0.0000 ( 4373 PWs) bands (ev): -32.2868 -32.2868 -13.9802 -13.9802 -13.6226 -13.6226 -13.3014 -13.3014 -13.2461 -13.2461 -11.9186 -11.9186 -11.7600 -11.7600 -11.2317 -11.2317 -10.5124 -10.5124 -10.4616 -10.4616 -3.6065 -3.6065 -0.5175 -0.5175 0.3648 0.3648 0.8857 0.8857 1.0292 1.0292 1.4350 1.4350 1.8947 1.8947 3.3149 3.3149 3.6492 3.6492 3.8647 3.8647 4.0982 4.0982 4.4257 4.4257 4.4885 4.4885 4.6134 4.6134 4.6212 4.6212 4.9187 4.9187 5.0656 5.0656 5.1891 5.1891 9.2153 9.2153 11.8169 11.8169 12.8782 12.8782 12.9679 12.9679 13.0200 13.0200 13.0794 13.0794 k = 0.0917 0.1588-0.0000 ( 4369 PWs) bands (ev): -32.2868 -32.2868 -13.9887 -13.9887 -13.6264 -13.6264 -13.3012 -13.3012 -13.2513 -13.2513 -11.8917 -11.8917 -11.7547 -11.7547 -11.2398 -11.2398 -10.5041 -10.5041 -10.4615 -10.4615 -3.6491 -3.6491 -0.4990 -0.4990 0.3739 0.3739 0.8788 0.8788 1.0134 1.0134 1.4402 1.4402 1.8475 1.8475 3.3741 3.3741 3.6243 3.6243 3.8683 3.8683 4.1487 4.1487 4.4291 4.4291 4.4934 4.4934 4.6188 4.6188 4.6373 4.6373 4.9194 4.9194 5.0561 5.0561 5.1742 5.1742 9.1395 9.1395 11.8398 11.8398 12.8903 12.8903 12.9596 12.9596 13.0061 13.0061 13.0702 13.0702 k = 0.0833 0.1443-0.0000 ( 4369 PWs) bands (ev): -32.2868 -32.2868 -13.9968 -13.9968 -13.6299 -13.6299 -13.3012 -13.3012 -13.2556 -13.2556 -11.8667 -11.8667 -11.7493 -11.7493 -11.2479 -11.2479 -10.4969 -10.4969 -10.4608 -10.4608 -3.6887 -3.6887 -0.4824 -0.4824 0.3841 0.3841 0.8723 0.8723 0.9991 0.9991 1.4450 1.4450 1.8015 1.8015 3.4306 3.4306 3.6016 3.6016 3.8726 3.8726 4.1978 4.1978 4.4249 4.4249 4.4965 4.4965 4.6288 4.6288 4.6563 4.6563 4.9213 4.9213 5.0455 5.0455 5.1583 5.1583 9.0672 9.0672 11.8611 11.8611 12.8947 12.8947 12.9503 12.9503 13.0002 13.0002 13.0616 13.0616 k = 0.0750 0.1299-0.0000 ( 4365 PWs) bands (ev): -32.2868 -32.2868 -14.0042 -14.0042 -13.6331 -13.6331 -13.3014 -13.3014 -13.2591 -13.2591 -11.8438 -11.8438 -11.7436 -11.7436 -11.2559 -11.2559 -10.4908 -10.4908 -10.4596 -10.4596 -3.7250 -3.7250 -0.4677 -0.4677 0.3949 0.3949 0.8662 0.8662 0.9865 0.9865 1.4491 1.4491 1.7576 1.7576 3.4790 3.4790 3.5869 3.5869 3.8775 3.8775 4.2431 4.2431 4.4141 4.4141 4.4981 4.4981 4.6442 4.6442 4.6769 4.6769 4.9241 4.9241 5.0338 5.0338 5.1415 5.1415 8.9992 8.9992 11.8808 11.8808 12.8869 12.8869 12.9493 12.9493 12.9984 12.9984 13.0531 13.0531 k = 0.0667 0.1155-0.0000 ( 4361 PWs) bands (ev): -32.2868 -32.2868 -14.0111 -14.0111 -13.6359 -13.6359 -13.3019 -13.3019 -13.2619 -13.2619 -11.8234 -11.8234 -11.7377 -11.7377 -11.2636 -11.2636 -10.4856 -10.4856 -10.4579 -10.4579 -3.7579 -3.7579 -0.4548 -0.4548 0.4062 0.4062 0.8609 0.8609 0.9753 0.9753 1.4521 1.4521 1.7167 1.7167 3.5026 3.5026 3.5975 3.5975 3.8825 3.8825 4.2817 4.2817 4.4005 4.4005 4.4987 4.4987 4.6643 4.6643 4.6984 4.6984 4.9273 4.9273 5.0210 5.0210 5.1240 5.1240 8.9360 8.9360 11.8988 11.8988 12.8709 12.8709 12.9554 12.9554 12.9980 12.9980 13.0448 13.0448 k = 0.0583 0.1010-0.0000 ( 4361 PWs) bands (ev): -32.2868 -32.2868 -14.0173 -14.0173 -13.6384 -13.6384 -13.3025 -13.3025 -13.2641 -13.2641 -11.8057 -11.8057 -11.7315 -11.7315 -11.2710 -11.2710 -10.4814 -10.4814 -10.4560 -10.4560 -3.7874 -3.7874 -0.4436 -0.4436 0.4176 0.4176 0.8563 0.8563 0.9656 0.9656 1.4536 1.4536 1.6796 1.6796 3.4969 3.4969 3.6380 3.6380 3.8876 3.8876 4.3054 4.3054 4.3924 4.3924 4.4988 4.4988 4.6876 4.6876 4.7205 4.7205 4.9304 4.9304 5.0073 5.0073 5.1059 5.1059 8.8782 8.8782 11.9149 11.9149 12.8532 12.8532 12.9634 12.9634 12.9982 12.9982 13.0369 13.0369 k = 0.0500 0.0866-0.0000 ( 4369 PWs) bands (ev): -32.2868 -32.2868 -14.0228 -14.0228 -13.6406 -13.6406 -13.3033 -13.3033 -13.2658 -13.2658 -11.7909 -11.7909 -11.7251 -11.7251 -11.2777 -11.2777 -10.4780 -10.4780 -10.4538 -10.4538 -3.8131 -3.8131 -0.4341 -0.4341 0.4286 0.4286 0.8526 0.8526 0.9573 0.9573 1.4531 1.4531 1.6474 1.6474 3.4821 3.4821 3.6881 3.6881 3.8924 3.8924 4.3031 4.3031 4.4018 4.4018 4.4989 4.4989 4.7131 4.7131 4.7428 4.7428 4.9328 4.9328 4.9927 4.9927 5.0875 5.0875 8.8266 8.8266 11.9291 11.9291 12.8362 12.8362 12.9710 12.9710 12.9986 12.9986 13.0295 13.0295 k = 0.0417 0.0722-0.0000 ( 4377 PWs) bands (ev): -32.2868 -32.2868 -14.0276 -14.0276 -13.6424 -13.6424 -13.3040 -13.3040 -13.2670 -13.2670 -11.7789 -11.7789 -11.7186 -11.7186 -11.2838 -11.2838 -10.4754 -10.4754 -10.4517 -10.4517 -3.8351 -3.8351 -0.4262 -0.4262 0.4388 0.4388 0.8498 0.8498 0.9504 0.9504 1.4503 1.4503 1.6211 1.6211 3.4667 3.4667 3.7390 3.7390 3.8969 3.8969 4.2818 4.2818 4.4221 4.4221 4.4993 4.4993 4.7397 4.7397 4.7650 4.7650 4.9341 4.9341 4.9773 4.9773 5.0694 5.0694 8.7817 8.7817 11.9413 11.9413 12.8212 12.8212 12.9776 12.9776 12.9992 12.9992 13.0230 13.0230 k = 0.0333 0.0577-0.0000 ( 4373 PWs) bands (ev): -32.2868 -32.2868 -14.0315 -14.0315 -13.6439 -13.6439 -13.3047 -13.3047 -13.2679 -13.2679 -11.7698 -11.7698 -11.7123 -11.7123 -11.2890 -11.2890 -10.4733 -10.4733 -10.4498 -10.4498 -3.8533 -3.8533 -0.4198 -0.4198 0.4479 0.4479 0.8479 0.8479 0.9448 0.9448 1.4452 1.4452 1.6012 1.6012 3.4529 3.4529 3.7880 3.7880 3.9008 3.9008 4.2534 4.2534 4.4418 4.4418 4.5006 4.5006 4.7667 4.7667 4.7870 4.7870 4.9332 4.9332 4.9614 4.9614 5.0524 5.0524 8.7441 8.7441 11.9514 11.9514 12.8086 12.8086 12.9826 12.9826 13.0000 13.0000 13.0177 13.0177 k = 0.0250 0.0433-0.0000 ( 4373 PWs) bands (ev): -32.2868 -32.2868 -14.0346 -14.0346 -13.6451 -13.6451 -13.3053 -13.3053 -13.2686 -13.2686 -11.7632 -11.7632 -11.7067 -11.7067 -11.2932 -11.2932 -10.4718 -10.4718 -10.4483 -10.4483 -3.8675 -3.8675 -0.4149 -0.4149 0.4554 0.4554 0.8466 0.8466 0.9405 0.9405 1.4388 1.4388 1.5873 1.5873 3.4417 3.4417 3.8328 3.8328 3.9040 3.9040 4.2234 4.2234 4.4568 4.4568 4.5032 4.5032 4.7927 4.7927 4.8084 4.8084 4.9292 4.9292 4.9455 4.9455 5.0376 5.0376 8.7142 8.7142 11.9593 11.9593 12.7986 12.7986 12.9860 12.9860 13.0006 13.0006 13.0138 13.0138 k = 0.0167 0.0289-0.0000 ( 4375 PWs) bands (ev): -32.2868 -32.2868 -14.0368 -14.0368 -13.6459 -13.6459 -13.3057 -13.3057 -13.2690 -13.2690 -11.7587 -11.7587 -11.7024 -11.7024 -11.2963 -11.2963 -10.4708 -10.4708 -10.4471 -10.4471 -3.8777 -3.8777 -0.4115 -0.4115 0.4610 0.4610 0.8458 0.8458 0.9375 0.9375 1.4325 1.4325 1.5786 1.5786 3.4335 3.4335 3.8708 3.8708 3.9065 3.9065 4.1956 4.1956 4.4660 4.4660 4.5069 4.5069 4.8161 4.8161 4.8287 4.8287 4.9215 4.9215 4.9304 4.9304 5.0263 5.0263 8.6926 8.6926 11.9650 11.9650 12.7914 12.7914 12.9881 12.9881 13.0009 13.0009 13.0115 13.0115 k = 0.0083 0.0144-0.0000 ( 4381 PWs) bands (ev): -32.2868 -32.2868 -14.0381 -14.0381 -13.6464 -13.6464 -13.3060 -13.3060 -13.2693 -13.2693 -11.7561 -11.7561 -11.6996 -11.6996 -11.2981 -11.2981 -10.4702 -10.4702 -10.4464 -10.4464 -3.8838 -3.8838 -0.4094 -0.4094 0.4645 0.4645 0.8455 0.8455 0.9356 0.9356 1.4280 1.4280 1.5740 1.5740 3.4284 3.4284 3.8968 3.8968 3.9089 3.9089 4.1747 4.1747 4.4705 4.4705 4.5103 4.5103 4.8340 4.8340 4.8459 4.8459 4.9115 4.9115 4.9181 4.9181 5.0194 5.0194 8.6794 8.6794 11.9684 11.9684 12.7870 12.7870 12.9891 12.9891 13.0007 13.0007 13.0106 13.0106 k = 0.0000 0.0000 0.0000 ( 4389 PWs) bands (ev): -32.2869 -32.2869 -14.0386 -14.0386 -13.6466 -13.6466 -13.3061 -13.3061 -13.2694 -13.2694 -11.7553 -11.7553 -11.6987 -11.6987 -11.2988 -11.2988 -10.4700 -10.4700 -10.4461 -10.4461 -3.8859 -3.8859 -0.4087 -0.4087 0.4657 0.4657 0.8454 0.8454 0.9350 0.9350 1.4263 1.4263 1.5726 1.5726 3.4268 3.4268 3.9043 3.9043 3.9118 3.9118 4.1667 4.1667 4.4718 4.4718 4.5116 4.5116 4.8414 4.8414 4.8536 4.8536 4.9063 4.9063 4.9124 4.9124 5.0171 5.0171 8.6750 8.6750 11.9696 11.9696 12.7855 12.7855 12.9894 12.9894 13.0005 13.0005 13.0104 13.0104 k = 0.0000 0.0000 0.0000 ( 4389 PWs) bands (ev): -32.2869 -32.2869 -14.0386 -14.0386 -13.6466 -13.6466 -13.3061 -13.3061 -13.2694 -13.2694 -11.7553 -11.7553 -11.6987 -11.6987 -11.2988 -11.2988 -10.4700 -10.4700 -10.4461 -10.4461 -3.8859 -3.8859 -0.4087 -0.4087 0.4657 0.4657 0.8454 0.8454 0.9350 0.9350 1.4263 1.4263 1.5726 1.5726 3.4268 3.4268 3.9043 3.9043 3.9118 3.9118 4.1667 4.1667 4.4718 4.4718 4.5116 4.5116 4.8414 4.8414 4.8536 4.8536 4.9063 4.9063 4.9124 4.9124 5.0171 5.0171 8.6750 8.6750 11.9696 11.9696 12.7855 12.7855 12.9894 12.9894 13.0005 13.0005 13.0104 13.0104 k = 0.0000 0.0000 0.0163 ( 4389 PWs) bands (ev): -32.2868 -32.2868 -14.0393 -14.0393 -13.6460 -13.6460 -13.3055 -13.3055 -13.2694 -13.2694 -11.7550 -11.7550 -11.6983 -11.6983 -11.2994 -11.2994 -10.4703 -10.4703 -10.4465 -10.4465 -3.8857 -3.8857 -0.4076 -0.4076 0.4653 0.4653 0.8455 0.8455 0.9353 0.9353 1.4258 1.4258 1.5720 1.5720 3.4273 3.4273 3.9050 3.9050 3.9125 3.9125 4.1660 4.1660 4.4712 4.4712 4.5110 4.5110 4.8412 4.8412 4.8531 4.8531 4.9074 4.9074 4.9132 4.9132 5.0146 5.0146 8.6778 8.6778 11.9706 11.9706 12.7824 12.7824 12.9915 12.9915 13.0002 13.0002 13.0104 13.0104 k = 0.0000 0.0000 0.0326 ( 4365 PWs) bands (ev): -32.2868 -32.2868 -14.0413 -14.0413 -13.6444 -13.6444 -13.3038 -13.3038 -13.2695 -13.2695 -11.7540 -11.7540 -11.6972 -11.6972 -11.3013 -11.3013 -10.4714 -10.4714 -10.4476 -10.4476 -3.8852 -3.8852 -0.4041 -0.4041 0.4641 0.4641 0.8459 0.8459 0.9360 0.9360 1.4244 1.4244 1.5705 1.5705 3.4291 3.4291 3.9070 3.9070 3.9145 3.9145 4.1640 4.1640 4.4695 4.4695 4.5093 4.5093 4.8406 4.8406 4.8517 4.8517 4.9106 4.9106 4.9156 4.9156 5.0070 5.0070 8.6859 8.6859 11.9736 11.9736 12.7735 12.7735 12.9968 12.9968 12.9995 12.9995 13.0113 13.0113 k = 0.0000 0.0000 0.0489 ( 4371 PWs) bands (ev): -32.2868 -32.2868 -14.0446 -14.0446 -13.6418 -13.6418 -13.3011 -13.3011 -13.2698 -13.2698 -11.7524 -11.7524 -11.6955 -11.6955 -11.3045 -11.3045 -10.4731 -10.4731 -10.4494 -10.4494 -3.8844 -3.8844 -0.3985 -0.3985 0.4622 0.4622 0.8465 0.8465 0.9371 0.9371 1.4220 1.4220 1.5680 1.5680 3.4321 3.4321 3.9103 3.9103 3.9178 3.9178 4.1607 4.1607 4.4667 4.4667 4.5064 4.5064 4.8397 4.8397 4.8496 4.8496 4.9156 4.9156 4.9195 4.9195 4.9944 4.9944 8.6994 8.6994 11.9785 11.9785 12.7598 12.7598 12.9982 12.9982 13.0006 13.0006 13.0164 13.0164 k = 0.0000 0.0000 0.0652 ( 4377 PWs) bands (ev): -32.2868 -32.2868 -14.0491 -14.0491 -13.6384 -13.6384 -13.2973 -13.2973 -13.2702 -13.2702 -11.7501 -11.7501 -11.6930 -11.6930 -11.3089 -11.3089 -10.4755 -10.4755 -10.4519 -10.4519 -3.8833 -3.8833 -0.3906 -0.3906 0.4595 0.4595 0.8474 0.8474 0.9387 0.9387 1.4188 1.4188 1.5645 1.5645 3.4363 3.4363 3.9149 3.9149 3.9223 3.9223 4.1560 4.1560 4.4628 4.4628 4.5025 4.5025 4.8383 4.8383 4.8469 4.8469 4.9223 4.9223 4.9248 4.9248 4.9772 4.9772 8.7179 8.7179 11.9853 11.9853 12.7425 12.7425 12.9965 12.9965 13.0003 13.0003 13.0272 13.0272 k = 0.0000 0.0000 0.0815 ( 4395 PWs) bands (ev): -32.2868 -32.2868 -14.0547 -14.0547 -13.6343 -13.6343 -13.2924 -13.2924 -13.2707 -13.2707 -11.7472 -11.7472 -11.6898 -11.6898 -11.3146 -11.3146 -10.4786 -10.4786 -10.4551 -10.4551 -3.8820 -3.8820 -0.3806 -0.3806 0.4561 0.4561 0.8485 0.8485 0.9407 0.9407 1.4146 1.4146 1.5602 1.5602 3.4416 3.4416 3.9208 3.9208 3.9281 3.9281 4.1499 4.1499 4.4580 4.4580 4.4976 4.4976 4.8366 4.8366 4.8439 4.8439 4.9302 4.9302 4.9313 4.9313 4.9557 4.9557 8.7413 8.7413 11.9940 11.9940 12.7226 12.7226 12.9942 12.9942 12.9979 12.9979 13.0406 13.0406 k = 0.0000 0.0000 0.0978 ( 4383 PWs) bands (ev): -32.2868 -32.2868 -14.0612 -14.0612 -13.6296 -13.6296 -13.2863 -13.2863 -13.2712 -13.2712 -11.7437 -11.7437 -11.6860 -11.6860 -11.3214 -11.3214 -10.4823 -10.4823 -10.4590 -10.4590 -3.8803 -3.8803 -0.3685 -0.3685 0.4519 0.4519 0.8499 0.8499 0.9431 0.9431 1.4096 1.4096 1.5549 1.5549 3.4481 3.4481 3.9278 3.9278 3.9350 3.9350 4.1425 4.1425 4.4524 4.4524 4.4919 4.4919 4.8345 4.8345 4.8405 4.8405 4.9283 4.9283 4.9394 4.9394 4.9407 4.9407 8.7693 8.7693 12.0044 12.0044 12.7008 12.7008 12.9914 12.9914 12.9945 12.9945 13.0553 13.0553 k = 0.0000 0.0000 0.1141 ( 4383 PWs) bands (ev): -32.2868 -32.2868 -14.0684 -14.0684 -13.6246 -13.6246 -13.2791 -13.2791 -13.2719 -13.2719 -11.7397 -11.7397 -11.6816 -11.6816 -11.3293 -11.3293 -10.4866 -10.4866 -10.4636 -10.4636 -3.8783 -3.8783 -0.3544 -0.3544 0.4471 0.4471 0.8516 0.8516 0.9459 0.9459 1.4039 1.4039 1.5488 1.5488 3.4556 3.4556 3.9360 3.9360 3.9431 3.9431 4.1338 4.1338 4.4460 4.4460 4.4854 4.4854 4.8321 4.8321 4.8369 4.8369 4.8994 4.8994 4.9490 4.9490 4.9495 4.9495 8.8014 8.8014 12.0165 12.0165 12.6775 12.6775 12.9882 12.9882 12.9903 12.9903 13.0701 13.0701 k = 0.0000 0.0000 0.1304 ( 4365 PWs) bands (ev): -32.2868 -32.2868 -14.0762 -14.0762 -13.6193 -13.6193 -13.2726 -13.2726 -13.2707 -13.2707 -11.7351 -11.7351 -11.6765 -11.6765 -11.3383 -11.3383 -10.4915 -10.4915 -10.4687 -10.4687 -3.8761 -3.8761 -0.3383 -0.3383 0.4416 0.4416 0.8535 0.8535 0.9491 0.9491 1.3975 1.3975 1.5420 1.5420 3.4643 3.4643 3.9452 3.9452 3.9522 3.9522 4.1237 4.1237 4.4389 4.4389 4.4782 4.4782 4.8293 4.8293 4.8331 4.8331 4.8665 4.8665 4.9590 4.9590 4.9605 4.9605 8.8374 8.8374 12.0301 12.0301 12.6533 12.6533 12.9845 12.9845 12.9853 12.9853 13.0848 13.0848 k = 0.0000 0.0000 0.1467 ( 4395 PWs) bands (ev): -32.2868 -32.2868 -14.0845 -14.0845 -13.6141 -13.6141 -13.2735 -13.2735 -13.2614 -13.2614 -11.7300 -11.7300 -11.6709 -11.6709 -11.3484 -11.3484 -10.4969 -10.4969 -10.4744 -10.4744 -3.8737 -3.8737 -0.3205 -0.3205 0.4355 0.4355 0.8557 0.8557 0.9527 0.9527 1.3904 1.3904 1.5346 1.5346 3.4741 3.4741 3.9554 3.9554 3.9623 3.9623 4.1121 4.1121 4.4313 4.4313 4.4704 4.4704 4.8261 4.8261 4.8290 4.8290 4.8307 4.8307 4.9698 4.9698 4.9722 4.9722 8.8767 8.8767 12.0451 12.0451 12.6282 12.6282 12.9796 12.9796 12.9803 12.9803 13.0988 13.0988 k = 0.0000 0.0000 0.1630 ( 4395 PWs) bands (ev): -32.2868 -32.2868 -14.0932 -14.0932 -13.6089 -13.6089 -13.2744 -13.2744 -13.2509 -13.2509 -11.7244 -11.7244 -11.6648 -11.6648 -11.3593 -11.3593 -10.5029 -10.5029 -10.4807 -10.4807 -3.8711 -3.8711 -0.3010 -0.3010 0.4288 0.4288 0.8582 0.8582 0.9565 0.9565 1.3827 1.3827 1.5265 1.5265 3.4848 3.4848 3.9664 3.9664 3.9732 3.9732 4.0993 4.0993 4.4232 4.4232 4.4621 4.4621 4.7922 4.7922 4.8228 4.8228 4.8246 4.8246 4.9814 4.9814 4.9846 4.9846 8.9190 8.9190 12.0614 12.0614 12.6026 12.6026 12.9734 12.9734 12.9757 12.9757 13.1122 13.1122 k = 0.0000 0.0000 0.1793 ( 4389 PWs) bands (ev): -32.2868 -32.2868 -14.1020 -14.1020 -13.6039 -13.6039 -13.2753 -13.2753 -13.2395 -13.2395 -11.7183 -11.7183 -11.6582 -11.6582 -11.3711 -11.3711 -10.5093 -10.5093 -10.4875 -10.4875 -3.8682 -3.8682 -0.2800 -0.2800 0.4216 0.4216 0.8609 0.8609 0.9607 0.9607 1.3746 1.3746 1.5179 1.5179 3.4966 3.4966 3.9783 3.9783 3.9849 3.9849 4.0851 4.0851 4.4148 4.4148 4.4535 4.4535 4.7519 4.7519 4.8191 4.8191 4.8201 4.8201 4.9937 4.9937 4.9974 4.9974 8.9638 8.9638 12.0788 12.0788 12.5766 12.5766 12.9666 12.9666 12.9706 12.9706 13.1246 13.1246 k = 0.0000 0.0000 0.1957 ( 4383 PWs) bands (ev): -32.2868 -32.2868 -14.1109 -14.1109 -13.5992 -13.5992 -13.2763 -13.2763 -13.2271 -13.2271 -11.7119 -11.7119 -11.6511 -11.6511 -11.3837 -11.3837 -10.5161 -10.5161 -10.4947 -10.4947 -3.8652 -3.8652 -0.2576 -0.2576 0.4140 0.4140 0.8639 0.8639 0.9651 0.9651 1.3661 1.3661 1.5090 1.5090 3.5093 3.5093 3.9908 3.9908 3.9973 3.9973 4.0695 4.0695 4.4061 4.4061 4.4446 4.4446 4.7101 4.7101 4.8151 4.8151 4.8153 4.8153 5.0063 5.0063 5.0106 5.0106 9.0107 9.0107 12.0971 12.0971 12.5502 12.5502 12.9594 12.9594 12.9653 12.9653 13.1360 13.1360 k = 0.0000 0.0000 0.2120 ( 4389 PWs) bands (ev): -32.2868 -32.2868 -14.1199 -14.1199 -13.5947 -13.5947 -13.2773 -13.2773 -13.2139 -13.2139 -11.7052 -11.7052 -11.6437 -11.6437 -11.3969 -11.3969 -10.5232 -10.5232 -10.5022 -10.5022 -3.8621 -3.8621 -0.2339 -0.2339 0.4060 0.4060 0.8671 0.8671 0.9697 0.9697 1.3572 1.3572 1.4997 1.4997 3.5228 3.5228 4.0040 4.0040 4.0103 4.0103 4.0526 4.0526 4.3972 4.3972 4.4355 4.4355 4.6673 4.6673 4.8103 4.8103 4.8107 4.8107 5.0193 5.0193 5.0241 5.0241 9.0592 9.0592 12.1162 12.1162 12.5237 12.5237 12.9517 12.9517 12.9595 12.9595 13.1463 13.1463 k = 0.0000 0.0000 0.2283 ( 4389 PWs) bands (ev): -32.2868 -32.2868 -14.1287 -14.1287 -13.5907 -13.5907 -13.2784 -13.2784 -13.2001 -13.2001 -11.6981 -11.6981 -11.6360 -11.6360 -11.4107 -11.4107 -10.5307 -10.5307 -10.5101 -10.5101 -3.8589 -3.8589 -0.2093 -0.2093 0.3977 0.3977 0.8705 0.8705 0.9745 0.9745 1.3481 1.3481 1.4902 1.4902 3.5372 3.5372 4.0177 4.0177 4.0237 4.0237 4.0345 4.0345 4.3883 4.3883 4.4262 4.4262 4.6239 4.6239 4.8052 4.8052 4.8062 4.8062 5.0325 5.0325 5.0378 5.0378 9.1089 9.1089 12.1358 12.1358 12.4971 12.4971 12.9436 12.9436 12.9536 12.9536 13.1554 13.1554 k = 0.0000 0.0000 0.2446 ( 4377 PWs) bands (ev): -32.2868 -32.2868 -14.1374 -14.1374 -13.5870 -13.5870 -13.2794 -13.2794 -13.1856 -13.1856 -11.6909 -11.6909 -11.6280 -11.6280 -11.4249 -11.4249 -10.5384 -10.5384 -10.5183 -10.5183 -3.8556 -3.8556 -0.1839 -0.1839 0.3892 0.3892 0.8740 0.8740 0.9794 0.9794 1.3389 1.3389 1.4805 1.4805 3.5522 3.5522 4.0153 4.0153 4.0317 4.0317 4.0376 4.0376 4.3793 4.3793 4.4168 4.4168 4.5803 4.5803 4.7998 4.7998 4.8014 4.8014 5.0458 5.0458 5.0515 5.0515 9.1593 9.1593 12.1559 12.1559 12.4706 12.4706 12.9353 12.9353 12.9474 12.9474 13.1634 13.1634 k = 0.0000 0.0000 0.2609 ( 4383 PWs) bands (ev): -32.2868 -32.2868 -14.1459 -14.1459 -13.5837 -13.5837 -13.2805 -13.2805 -13.1707 -13.1707 -11.6834 -11.6834 -11.6198 -11.6198 -11.4395 -11.4395 -10.5462 -10.5462 -10.5266 -10.5266 -3.8522 -3.8522 -0.1578 -0.1578 0.3805 0.3805 0.8777 0.8777 0.9844 0.9844 1.3296 1.3296 1.4708 1.4708 3.5679 3.5679 3.9951 3.9951 4.0461 4.0461 4.0517 4.0517 4.3703 4.3703 4.4073 4.4073 4.5369 4.5369 4.7943 4.7943 4.7964 4.7964 5.0591 5.0591 5.0651 5.0651 9.2100 9.2100 12.1761 12.1761 12.4442 12.4442 12.9267 12.9267 12.9410 12.9410 13.1701 13.1701 k = 0.0000 0.0000 0.2772 ( 4383 PWs) bands (ev): -32.2868 -32.2868 -14.1540 -14.1540 -13.5807 -13.5807 -13.2816 -13.2816 -13.1555 -13.1555 -11.6759 -11.6759 -11.6115 -11.6115 -11.4543 -11.4543 -10.5542 -10.5542 -10.5351 -10.5351 -3.8489 -3.8489 -0.1314 -0.1314 0.3718 0.3718 0.8815 0.8815 0.9895 0.9895 1.3203 1.3203 1.4611 1.4611 3.5839 3.5839 3.9741 3.9741 4.0608 4.0608 4.0660 4.0660 4.3615 4.3615 4.3978 4.3978 4.4940 4.4940 4.7887 4.7887 4.7912 4.7912 5.0723 5.0723 5.0786 5.0786 9.2606 9.2606 12.1963 12.1963 12.4182 12.4182 12.9180 12.9180 12.9346 12.9346 13.1757 13.1757 k = 0.0000 0.0000 0.2935 ( 4383 PWs) bands (ev): -32.2868 -32.2868 -14.1619 -14.1619 -13.5781 -13.5781 -13.2826 -13.2826 -13.1402 -13.1402 -11.6684 -11.6684 -11.6032 -11.6032 -11.4691 -11.4691 -10.5622 -10.5622 -10.5436 -10.5436 -3.8455 -3.8455 -0.1049 -0.1049 0.3631 0.3631 0.8854 0.8854 0.9946 0.9946 1.3111 1.3111 1.4516 1.4516 3.6003 3.6003 3.9527 3.9527 4.0755 4.0755 4.0803 4.0803 4.3527 4.3527 4.3884 4.3884 4.4520 4.4520 4.7831 4.7831 4.7858 4.7858 5.0852 5.0852 5.0918 5.0918 9.3106 9.3106 12.2163 12.2163 12.3925 12.3925 12.9093 12.9093 12.9281 12.9281 13.1803 13.1803 k = 0.0000 0.0000 0.3098 ( 4401 PWs) bands (ev): -32.2868 -32.2868 -14.1693 -14.1693 -13.5759 -13.5759 -13.2837 -13.2837 -13.1250 -13.1250 -11.6609 -11.6609 -11.5949 -11.5949 -11.4839 -11.4839 -10.5701 -10.5701 -10.5521 -10.5521 -3.8423 -3.8423 -0.0785 -0.0785 0.3546 0.3546 0.8894 0.8894 0.9996 0.9996 1.3021 1.3021 1.4423 1.4423 3.6166 3.6166 3.9314 3.9314 4.0903 4.0903 4.0946 4.0946 4.3442 4.3442 4.3789 4.3789 4.4109 4.4109 4.7774 4.7774 4.7804 4.7804 5.0978 5.0978 5.1046 5.1046 9.3597 9.3597 12.2359 12.2359 12.3674 12.3674 12.9006 12.9006 12.9215 12.9215 13.1838 13.1838 k = 0.0000 0.0000 0.3261 ( 4401 PWs) bands (ev): -32.2867 -32.2867 -14.1764 -14.1764 -13.5739 -13.5739 -13.2847 -13.2847 -13.1099 -13.1099 -11.6535 -11.6535 -11.5868 -11.5868 -11.4985 -11.4985 -10.5779 -10.5779 -10.5604 -10.5604 -3.8391 -3.8391 -0.0524 -0.0524 0.3463 0.3463 0.8933 0.8933 1.0046 1.0046 1.2934 1.2934 1.4332 1.4332 3.6324 3.6324 3.9108 3.9108 4.1051 4.1051 4.1087 4.1087 4.3358 4.3358 4.3696 4.3696 4.3711 4.3711 4.7717 4.7717 4.7749 4.7749 5.1099 5.1099 5.1169 5.1169 9.4073 9.4073 12.2549 12.2549 12.3431 12.3431 12.8920 12.8920 12.9152 12.9152 13.1864 13.1864 k = 0.0000 0.0000 0.3424 ( 4389 PWs) bands (ev): -32.2867 -32.2867 -14.1829 -14.1829 -13.5722 -13.5722 -13.2856 -13.2856 -13.0952 -13.0952 -11.6464 -11.6464 -11.5788 -11.5788 -11.5126 -11.5126 -10.5854 -10.5854 -10.5686 -10.5686 -3.8360 -3.8360 -0.0271 -0.0271 0.3383 0.3383 0.8971 0.8971 1.0094 1.0094 1.2850 1.2850 1.4246 1.4246 3.6473 3.6473 3.8917 3.8917 4.1197 4.1197 4.1226 4.1226 4.3277 4.3277 4.3326 4.3326 4.3603 4.3603 4.7661 4.7661 4.7695 4.7695 5.1215 5.1215 5.1287 5.1287 9.4532 9.4532 12.2731 12.2731 12.3197 12.3197 12.8838 12.8838 12.9090 12.9090 13.1882 13.1882 k = 0.0000 0.0000 0.3587 ( 4389 PWs) bands (ev): -32.2867 -32.2867 -14.1890 -14.1890 -13.5707 -13.5707 -13.2865 -13.2865 -13.0810 -13.0810 -11.6395 -11.6395 -11.5712 -11.5712 -11.5263 -11.5263 -10.5927 -10.5927 -10.5764 -10.5764 -3.8331 -3.8331 -0.0027 -0.0027 0.3306 0.3306 0.9009 0.9009 1.0140 1.0140 1.2770 1.2770 1.4164 1.4164 3.6603 3.6603 3.8754 3.8754 4.1342 4.1342 4.1361 4.1361 4.2954 4.2954 4.3199 4.3199 4.3512 4.3512 4.7607 4.7607 4.7642 4.7642 5.1324 5.1324 5.1398 5.1398 9.4968 9.4968 12.2897 12.2897 12.2980 12.2980 12.8758 12.8758 12.9031 12.9031 13.1893 13.1893 k = 0.0000 0.0000 0.3750 ( 4388 PWs) bands (ev): -32.2867 -32.2867 -14.1946 -14.1946 -13.5695 -13.5695 -13.2874 -13.2874 -13.0675 -13.0675 -11.6330 -11.6330 -11.5639 -11.5639 -11.5393 -11.5393 -10.5996 -10.5996 -10.5838 -10.5838 -3.8303 -3.8303 0.0205 0.0205 0.3234 0.3234 0.9045 0.9045 1.0184 1.0184 1.2695 1.2695 1.4087 1.4087 3.6702 3.6702 3.8633 3.8633 4.1484 4.1484 4.1492 4.1492 4.2595 4.2595 4.3124 4.3124 4.3421 4.3421 4.7555 4.7555 4.7590 4.7590 5.1426 5.1426 5.1501 5.1501 9.5378 9.5378 12.2757 12.2757 12.3071 12.3071 12.8683 12.8683 12.8975 12.8975 13.1898 13.1898 k = 0.0000 0.0000 0.3913 ( 4376 PWs) bands (ev): -32.2867 -32.2867 -14.1996 -14.1996 -13.5684 -13.5684 -13.2881 -13.2881 -13.0549 -13.0549 -11.6269 -11.6269 -11.5571 -11.5571 -11.5514 -11.5514 -10.6060 -10.6060 -10.5907 -10.5907 -3.8278 -3.8278 0.0421 0.0421 0.3168 0.3168 0.9079 0.9079 1.0225 1.0225 1.2626 1.2626 1.4015 1.4015 3.6759 3.6759 3.8571 3.8571 4.1617 4.1617 4.1623 4.1623 4.2249 4.2249 4.3051 4.3051 4.3330 4.3330 4.7506 4.7506 4.7540 4.7540 5.1519 5.1519 5.1596 5.1596 9.5758 9.5758 12.2561 12.2561 12.3219 12.3219 12.8613 12.8613 12.8923 12.8923 13.1899 13.1899 k = 0.0000 0.0000 0.4076 ( 4376 PWs) bands (ev): -32.2867 -32.2867 -14.2041 -14.2041 -13.5675 -13.5675 -13.2888 -13.2888 -13.0433 -13.0433 -11.6213 -11.6213 -11.5625 -11.5625 -11.5509 -11.5509 -10.6119 -10.6119 -10.5971 -10.5971 -3.8255 -3.8255 0.0620 0.0620 0.3108 0.3108 0.9110 0.9110 1.0262 1.0262 1.2563 1.2563 1.3951 1.3951 3.6768 3.6768 3.8578 3.8578 4.1736 4.1736 4.1758 4.1758 4.1915 4.1915 4.2982 4.2982 4.3240 4.3240 4.7460 4.7460 4.7494 4.7494 5.1604 5.1604 5.1682 5.1682 9.6103 9.6103 12.2381 12.2381 12.3354 12.3354 12.8550 12.8550 12.8875 12.8875 13.1895 13.1895 k = 0.0000 0.0000 0.4239 ( 4388 PWs) bands (ev): -32.2867 -32.2867 -14.2080 -14.2080 -13.5668 -13.5668 -13.2894 -13.2894 -13.0330 -13.0330 -11.6163 -11.6163 -11.5725 -11.5725 -11.5453 -11.5453 -10.6172 -10.6172 -10.6028 -10.6028 -3.8234 -3.8234 0.0799 0.0799 0.3054 0.3054 0.9139 0.9139 1.0296 1.0296 1.2507 1.2507 1.3894 1.3894 3.6733 3.6733 3.8652 3.8652 4.1592 4.1592 4.1849 4.1849 4.1889 4.1889 4.2915 4.2915 4.3150 4.3150 4.7418 4.7418 4.7452 4.7452 5.1678 5.1678 5.1758 5.1758 9.6412 9.6412 12.2219 12.2219 12.3474 12.3474 12.8492 12.8492 12.8832 12.8832 13.1889 13.1889 k = 0.0000 0.0000 0.4402 ( 4388 PWs) bands (ev): -32.2867 -32.2867 -14.2114 -14.2114 -13.5663 -13.5663 -13.2900 -13.2900 -13.0239 -13.0239 -11.6119 -11.6119 -11.5813 -11.5813 -11.5405 -11.5405 -10.6218 -10.6218 -10.6078 -10.6078 -3.8216 -3.8216 0.0954 0.0954 0.3008 0.3008 0.9164 0.9164 1.0325 1.0325 1.2459 1.2459 1.3844 1.3844 3.6671 3.6671 3.8781 3.8781 4.1281 4.1281 4.1953 4.1953 4.2016 4.2016 4.2851 4.2851 4.3059 4.3059 4.7381 4.7381 4.7414 4.7414 5.1743 5.1743 5.1823 5.1823 9.6679 9.6679 12.2078 12.2078 12.3578 12.3578 12.8442 12.8442 12.8795 12.8795 13.1882 13.1882 k = 0.0000 0.0000 0.4565 ( 4388 PWs) bands (ev): -32.2867 -32.2867 -14.2141 -14.2141 -13.5658 -13.5658 -13.2904 -13.2904 -13.0164 -13.0164 -11.6083 -11.6083 -11.5886 -11.5886 -11.5364 -11.5364 -10.6256 -10.6256 -10.6120 -10.6120 -3.8202 -3.8202 0.1085 0.1085 0.2970 0.2970 0.9185 0.9185 1.0350 1.0350 1.2418 1.2418 1.3803 1.3803 3.6598 3.6598 3.8951 3.8951 4.0981 4.0981 4.2048 4.2048 4.2138 4.2138 4.2790 4.2790 4.2968 4.2968 4.7350 4.7350 4.7382 4.7382 5.1796 5.1796 5.1877 5.1877 9.6902 9.6902 12.1960 12.1960 12.3664 12.3664 12.8401 12.8401 12.8764 12.8764 13.1876 13.1876 k = 0.0000 0.0000 0.4728 ( 4400 PWs) bands (ev): -32.2867 -32.2867 -14.2163 -14.2163 -13.5655 -13.5655 -13.2908 -13.2908 -13.0104 -13.0104 -11.6054 -11.6054 -11.5944 -11.5944 -11.5331 -11.5331 -10.6287 -10.6287 -10.6153 -10.6153 -3.8190 -3.8190 0.1188 0.1188 0.2939 0.2939 0.9202 0.9202 1.0369 1.0369 1.2386 1.2386 1.3770 1.3770 3.6528 3.6528 3.9149 3.9149 4.0690 4.0690 4.2132 4.2132 4.2256 4.2256 4.2733 4.2733 4.2875 4.2875 4.7325 4.7325 4.7356 4.7356 5.1838 5.1838 5.1920 5.1920 9.7078 9.7078 12.1865 12.1865 12.3732 12.3732 12.8368 12.8368 12.8740 12.8740 13.1868 13.1868 k = 0.0000 0.0000 0.4891 ( 4412 PWs) bands (ev): -32.2867 -32.2867 -14.2179 -14.2179 -13.5653 -13.5653 -13.2910 -13.2910 -13.0060 -13.0060 -11.6033 -11.6033 -11.5986 -11.5986 -11.5308 -11.5308 -10.6309 -10.6309 -10.6177 -10.6177 -3.8182 -3.8182 0.1263 0.1263 0.2917 0.2917 0.9214 0.9214 1.0383 1.0383 1.2363 1.2363 1.3747 1.3747 3.6472 3.6472 3.9369 3.9369 4.0410 4.0410 4.2202 4.2202 4.2368 4.2368 4.2683 4.2683 4.2780 4.2780 4.7306 4.7306 4.7337 4.7337 5.1868 5.1868 5.1950 5.1950 9.7206 9.7206 12.1797 12.1797 12.3781 12.3781 12.8344 12.8344 12.8722 12.8722 13.1863 13.1863 k = 0.0000 0.0000 0.5054 ( 4412 PWs) bands (ev): -32.2867 -32.2867 -14.2188 -14.2188 -13.5651 -13.5651 -13.2912 -13.2912 -13.0034 -13.0034 -11.6023 -11.6023 -11.6009 -11.6009 -11.5293 -11.5293 -10.6322 -10.6322 -10.6192 -10.6192 -3.8177 -3.8177 0.1309 0.1309 0.2904 0.2904 0.9221 0.9221 1.0392 1.0392 1.2349 1.2349 1.3732 1.3732 3.6437 3.6437 3.9599 3.9599 4.0145 4.0145 4.2252 4.2252 4.2477 4.2477 4.2646 4.2646 4.2682 4.2682 4.7295 4.7295 4.7325 4.7325 5.1887 5.1887 5.1969 5.1969 9.7283 9.7283 12.1756 12.1756 12.3810 12.3810 12.8330 12.8330 12.8711 12.8711 13.1860 13.1860 k = 0.0000 0.0000 0.5217 ( 4400 PWs) bands (ev): -32.2867 -32.2867 -14.2191 -14.2191 -13.5650 -13.5650 -13.2912 -13.2912 -13.0025 -13.0025 -11.6025 -11.6025 -11.6011 -11.6011 -11.5288 -11.5288 -10.6327 -10.6327 -10.6197 -10.6197 -3.8175 -3.8175 0.1324 0.1324 0.2900 0.2900 0.9224 0.9224 1.0395 1.0395 1.2344 1.2344 1.3728 1.3728 3.6424 3.6424 3.9776 3.9776 3.9957 3.9957 4.2270 4.2270 4.2580 4.2580 4.2583 4.2583 4.2631 4.2631 4.7292 4.7292 4.7322 4.7322 5.1893 5.1893 5.1975 5.1975 9.7309 9.7309 12.1742 12.1742 12.3820 12.3820 12.8325 12.8325 12.8708 12.8708 13.1859 13.1859 k = 0.0000 0.0000 0.5217 ( 4400 PWs) bands (ev): -32.2867 -32.2867 -14.2191 -14.2191 -13.5650 -13.5650 -13.2912 -13.2912 -13.0025 -13.0025 -11.6025 -11.6025 -11.6011 -11.6011 -11.5288 -11.5288 -10.6327 -10.6327 -10.6197 -10.6197 -3.8175 -3.8175 0.1324 0.1324 0.2900 0.2900 0.9224 0.9224 1.0395 1.0395 1.2344 1.2344 1.3728 1.3728 3.6424 3.6424 3.9776 3.9776 3.9957 3.9957 4.2270 4.2270 4.2580 4.2580 4.2583 4.2583 4.2631 4.2631 4.7292 4.7292 4.7322 4.7322 5.1893 5.1893 5.1975 5.1975 9.7309 9.7309 12.1742 12.1742 12.3820 12.3820 12.8325 12.8325 12.8708 12.8708 13.1859 13.1859 k = 0.0143 0.0082 0.5217 ( 4408 PWs) bands (ev): -32.2867 -32.2867 -14.2183 -14.2183 -13.5651 -13.5651 -13.2913 -13.2913 -13.0027 -13.0027 -11.6039 -11.6039 -11.6003 -11.6003 -11.5302 -11.5302 -10.6323 -10.6323 -10.6193 -10.6193 -3.8155 -3.8155 0.1298 0.1298 0.2885 0.2885 0.9221 0.9221 1.0394 1.0394 1.2374 1.2374 1.3754 1.3754 3.6432 3.6432 3.9782 3.9782 3.9881 3.9881 4.2199 4.2199 4.2452 4.2452 4.2676 4.2676 4.2794 4.2794 4.7277 4.7277 4.7308 4.7308 5.1894 5.1894 5.1976 5.1976 9.7329 9.7329 12.1768 12.1768 12.3808 12.3808 12.8324 12.8324 12.8705 12.8705 13.1857 13.1857 k = 0.0286 0.0165 0.5217 ( 4408 PWs) bands (ev): -32.2867 -32.2867 -14.2161 -14.2161 -13.5652 -13.5652 -13.2915 -13.2915 -13.0031 -13.0031 -11.6077 -11.6077 -11.5982 -11.5982 -11.5342 -11.5342 -10.6311 -10.6311 -10.6182 -10.6182 -3.8095 -3.8095 0.1222 0.1222 0.2843 0.2843 0.9211 0.9211 1.0394 1.0394 1.2461 1.2461 1.3833 1.3833 3.6455 3.6455 3.9659 3.9659 3.9805 3.9805 4.2074 4.2074 4.2336 4.2336 4.2838 4.2838 4.3028 4.3028 4.7229 4.7229 4.7274 4.7274 5.1897 5.1897 5.1979 5.1979 9.7388 9.7388 12.1847 12.1847 12.3772 12.3772 12.8320 12.8320 12.8700 12.8700 13.1853 13.1853 k = 0.0429 0.0247 0.5217 ( 4408 PWs) bands (ev): -32.2867 -32.2867 -14.2123 -14.2123 -13.5653 -13.5653 -13.2917 -13.2917 -13.0039 -13.0039 -11.6143 -11.6143 -11.5949 -11.5949 -11.5405 -11.5405 -10.6295 -10.6295 -10.6161 -10.6161 -3.7996 -3.7996 0.1096 0.1096 0.2775 0.2775 0.9194 0.9194 1.0395 1.0395 1.2597 1.2597 1.3967 1.3967 3.6492 3.6492 3.9331 3.9331 3.9837 3.9837 4.1927 4.1927 4.2273 4.2273 4.2990 4.2990 4.3309 4.3309 4.7146 4.7146 4.7222 4.7222 5.1902 5.1902 5.1983 5.1983 9.7486 9.7486 12.1976 12.1976 12.3712 12.3712 12.8313 12.8313 12.8692 12.8692 13.1847 13.1847 k = 0.0571 0.0330 0.5217 ( 4408 PWs) bands (ev): -32.2867 -32.2867 -14.2071 -14.2071 -13.5655 -13.5655 -13.2921 -13.2921 -13.0049 -13.0049 -11.6236 -11.6236 -11.5904 -11.5904 -11.5486 -11.5486 -10.6277 -10.6277 -10.6127 -10.6127 -3.7859 -3.7859 0.0923 0.0923 0.2686 0.2686 0.9170 0.9170 1.0402 1.0402 1.2772 1.2772 1.4156 1.4156 3.6542 3.6542 3.8924 3.8924 3.9877 3.9877 4.1760 4.1760 4.2261 4.2261 4.3129 4.3129 4.3612 4.3612 4.7033 4.7033 4.7153 4.7153 5.1907 5.1907 5.1987 5.1987 9.7621 9.7621 12.2156 12.2156 12.3628 12.3628 12.8301 12.8301 12.8684 12.8684 13.1838 13.1838 k = 0.0714 0.0412 0.5217 ( 4406 PWs) bands (ev): -32.2867 -32.2867 -14.2004 -14.2004 -13.5657 -13.5657 -13.2926 -13.2926 -13.0063 -13.0063 -11.6361 -11.6361 -11.5858 -11.5858 -11.5572 -11.5572 -10.6262 -10.6262 -10.6081 -10.6081 -3.7682 -3.7682 0.0705 0.0705 0.2581 0.2581 0.9137 0.9137 1.0418 1.0418 1.2973 1.2973 1.4405 1.4405 3.6602 3.6602 3.8464 3.8464 3.9921 3.9921 4.1584 4.1584 4.2283 4.2283 4.3255 4.3255 4.3922 4.3922 4.6896 4.6896 4.7068 4.7068 5.1912 5.1912 5.1992 5.1992 9.7793 9.7793 12.2383 12.2383 12.3520 12.3520 12.8282 12.8282 12.8681 12.8681 13.1828 13.1828 k = 0.0857 0.0495 0.5217 ( 4404 PWs) bands (ev): -32.2867 -32.2867 -14.1922 -14.1922 -13.5659 -13.5659 -13.2932 -13.2932 -13.0080 -13.0080 -11.6517 -11.6517 -11.5841 -11.5841 -11.5626 -11.5626 -10.6249 -10.6249 -10.6022 -10.6022 -3.7469 -3.7469 0.0445 0.0445 0.2465 0.2465 0.9094 0.9094 1.0448 1.0448 1.3189 1.3189 1.4710 1.4710 3.6662 3.6662 3.7971 3.7971 3.9955 3.9955 4.1414 4.1414 4.2330 4.2330 4.3369 4.3369 4.4230 4.4230 4.6743 4.6743 4.6967 4.6967 5.1917 5.1917 5.1996 5.1996 9.7998 9.7998 12.2654 12.2654 12.3389 12.3389 12.8255 12.8255 12.8684 12.8684 13.1815 13.1815 k = 0.1000 0.0577 0.5217 ( 4400 PWs) bands (ev): -32.2867 -32.2867 -14.1825 -14.1825 -13.5661 -13.5661 -13.2938 -13.2938 -13.0100 -13.0100 -11.6707 -11.6707 -11.5908 -11.5908 -11.5593 -11.5593 -10.6239 -10.6239 -10.5953 -10.5953 -3.7219 -3.7219 0.0147 0.0147 0.2343 0.2343 0.9040 0.9040 1.0495 1.0495 1.3414 1.3414 1.5071 1.5071 3.6693 3.6693 3.7486 3.7486 3.9963 3.9963 4.1268 4.1268 4.2393 4.2393 4.3466 4.3466 4.4532 4.4532 4.6579 4.6579 4.6853 4.6853 5.1919 5.1919 5.1998 5.1998 9.8234 9.8234 12.2965 12.2965 12.3236 12.3236 12.8220 12.8220 12.8697 12.8697 13.1801 13.1801 k = 0.1143 0.0660 0.5217 ( 4400 PWs) bands (ev): -32.2867 -32.2867 -14.1714 -14.1714 -13.5664 -13.5664 -13.2946 -13.2946 -13.0124 -13.0124 -11.6929 -11.6929 -11.6021 -11.6021 -11.5504 -11.5504 -10.6232 -10.6232 -10.5876 -10.5876 -3.6934 -3.6934 -0.0186 -0.0186 0.2219 0.2219 0.8975 0.8975 1.0560 1.0560 1.3642 1.3642 1.5481 1.5481 3.6538 3.6538 3.7170 3.7170 3.9917 3.9917 4.1171 4.1171 4.2470 4.2470 4.3545 4.3545 4.4824 4.4824 4.6416 4.6416 4.6727 4.6727 5.1920 5.1920 5.1998 5.1998 9.8500 9.8500 12.3054 12.3054 12.3318 12.3318 12.8178 12.8178 12.8720 12.8720 13.1786 13.1786 k = 0.1286 0.0742 0.5217 ( 4400 PWs) bands (ev): -32.2867 -32.2867 -14.1590 -14.1590 -13.5667 -13.5667 -13.2954 -13.2954 -13.0151 -13.0151 -11.7181 -11.7181 -11.6150 -11.6150 -11.5392 -11.5392 -10.6228 -10.6228 -10.5793 -10.5793 -3.6615 -3.6615 -0.0551 -0.0551 0.2099 0.2099 0.8899 0.8899 1.0646 1.0646 1.3871 1.3871 1.5932 1.5932 3.6072 3.6072 3.7152 3.7152 3.9795 3.9795 4.1143 4.1143 4.2556 4.2556 4.3601 4.3601 4.5104 4.5104 4.6262 4.6262 4.6593 4.6593 5.1918 5.1918 5.1993 5.1993 9.8792 9.8792 12.2854 12.2854 12.3697 12.3697 12.8132 12.8132 12.8753 12.8753 13.1770 13.1770 k = 0.1429 0.0825 0.5217 ( 4392 PWs) bands (ev): -32.2867 -32.2867 -14.1451 -14.1451 -13.5669 -13.5669 -13.2963 -13.2963 -13.0181 -13.0181 -11.7460 -11.7460 -11.6286 -11.6286 -11.5264 -11.5264 -10.6229 -10.6229 -10.5705 -10.5705 -3.6264 -3.6264 -0.0944 -0.0944 0.1985 0.1985 0.8813 0.8813 1.0752 1.0752 1.4100 1.4100 1.6416 1.6416 3.5493 3.5493 3.7238 3.7238 3.9595 3.9595 4.1184 4.1184 4.2649 4.2649 4.3630 4.3630 4.5368 4.5368 4.6127 4.6127 4.6455 4.6455 5.1913 5.1913 5.1985 5.1985 9.9107 9.9107 12.2632 12.2632 12.4102 12.4102 12.8085 12.8085 12.8798 12.8798 13.1754 13.1754 k = 0.1571 0.0907 0.5217 ( 4396 PWs) bands (ev): -32.2866 -32.2866 -14.1299 -14.1299 -13.5671 -13.5671 -13.2972 -13.2972 -13.0216 -13.0216 -11.7763 -11.7763 -11.6427 -11.6427 -11.5123 -11.5123 -10.6234 -10.6234 -10.5614 -10.5614 -3.5882 -3.5882 -0.1362 -0.1362 0.1882 0.1882 0.8720 0.8720 1.0877 1.0877 1.4328 1.4328 1.6925 1.6925 3.4880 3.4880 3.7352 3.7352 3.9331 3.9331 4.1274 4.1274 4.2745 4.2745 4.3630 4.3630 4.5604 4.5604 4.6021 4.6021 4.6328 4.6328 5.1905 5.1905 5.1972 5.1972 9.9443 9.9443 12.2387 12.2387 12.4526 12.4526 12.8040 12.8040 12.8856 12.8856 13.1739 13.1739 k = 0.1714 0.0990 0.5217 ( 4380 PWs) bands (ev): -32.2866 -32.2866 -14.1133 -14.1133 -13.5673 -13.5673 -13.2981 -13.2981 -13.0255 -13.0255 -11.8087 -11.8087 -11.6571 -11.6571 -11.4969 -11.4969 -10.6245 -10.6245 -10.5521 -10.5521 -3.5471 -3.5471 -0.1804 -0.1804 0.1790 0.1790 0.8622 0.8622 1.1021 1.1021 1.4554 1.4554 1.7451 1.7451 3.4252 3.4252 3.7477 3.7477 3.9022 3.9022 4.1395 4.1395 4.2844 4.2844 4.3602 4.3602 4.5760 4.5760 4.5957 4.5957 4.6255 4.6255 5.1893 5.1893 5.1956 5.1956 9.9797 9.9797 12.2122 12.2122 12.4958 12.4958 12.8000 12.8000 12.8930 12.8930 13.1725 13.1725 k = 0.1857 0.1072 0.5217 ( 4380 PWs) bands (ev): -32.2866 -32.2866 -14.0956 -14.0956 -13.5673 -13.5673 -13.2991 -13.2991 -13.0298 -13.0298 -11.8427 -11.8427 -11.6718 -11.6718 -11.4805 -11.4805 -10.6261 -10.6261 -10.5428 -10.5428 -3.5033 -3.5033 -0.2266 -0.2266 0.1712 0.1712 0.8522 0.8522 1.1183 1.1183 1.4778 1.4778 1.7984 1.7984 3.3619 3.3619 3.7603 3.7603 3.8681 3.8681 4.1531 4.1531 4.2941 4.2941 4.3552 4.3552 4.5748 4.5748 4.5931 4.5931 4.6334 4.6334 5.1877 5.1877 5.1935 5.1935 10.0165 10.0165 12.1836 12.1836 12.5389 12.5389 12.7968 12.7968 12.9024 12.9024 13.1713 13.1713 k = 0.2000 0.1155 0.5217 ( 4386 PWs) bands (ev): -32.2866 -32.2866 -14.0766 -14.0766 -13.5673 -13.5673 -13.3002 -13.3002 -13.0346 -13.0346 -11.8782 -11.8782 -11.6866 -11.6866 -11.4630 -11.4630 -10.6284 -10.6284 -10.5335 -10.5335 -3.4571 -3.4571 -0.2746 -0.2746 0.1649 0.1649 0.8423 0.8423 1.1361 1.1361 1.4998 1.4998 1.8516 1.8516 3.2991 3.2991 3.7712 3.7712 3.8331 3.8331 4.1667 4.1667 4.3034 4.3034 4.3491 4.3491 4.5631 4.5631 4.5921 4.5921 4.6523 4.6523 5.1855 5.1855 5.1912 5.1912 10.0544 10.0544 12.1532 12.1532 12.5805 12.5805 12.7947 12.7947 12.9141 12.9141 13.1704 13.1704 k = 0.2143 0.1237 0.5217 ( 4386 PWs) bands (ev): -32.2866 -32.2866 -14.0564 -14.0564 -13.5672 -13.5672 -13.3012 -13.3012 -13.0399 -13.0399 -11.9147 -11.9147 -11.7015 -11.7015 -11.4447 -11.4447 -10.6314 -10.6314 -10.5243 -10.5243 -3.4085 -3.4085 -0.3242 -0.3242 0.1602 0.1602 0.8327 0.8327 1.1555 1.1555 1.5214 1.5214 1.9038 1.9038 3.2375 3.2375 3.7687 3.7687 3.8091 3.8091 4.1787 4.1787 4.3120 4.3120 4.3438 4.3438 4.5477 4.5477 4.5938 4.5938 4.6740 4.6740 5.1827 5.1827 5.1888 5.1888 10.0933 10.0933 12.1210 12.1210 12.6191 12.6191 12.7940 12.7940 12.9291 12.9291 13.1699 13.1699 k = 0.2286 0.1320 0.5217 ( 4390 PWs) bands (ev): -32.2866 -32.2866 -14.0352 -14.0352 -13.5669 -13.5669 -13.3022 -13.3022 -13.0458 -13.0458 -11.9521 -11.9521 -11.7164 -11.7164 -11.4254 -11.4254 -10.6353 -10.6353 -10.5152 -10.5152 -3.3579 -3.3579 -0.3752 -0.3752 0.1570 0.1570 0.8237 0.8237 1.1762 1.1762 1.5424 1.5424 1.9536 1.9536 3.1783 3.1783 3.7364 3.7364 3.8128 3.8128 4.1875 4.1875 4.3197 4.3197 4.3413 4.3413 4.5309 4.5309 4.5978 4.5978 4.6963 4.6963 5.1793 5.1793 5.1864 5.1864 10.1328 10.1328 12.0871 12.0871 12.6531 12.6531 12.7951 12.7951 12.9480 12.9480 13.1701 13.1701 k = 0.2429 0.1402 0.5217 ( 4394 PWs) bands (ev): -32.2866 -32.2866 -14.0130 -14.0130 -13.5663 -13.5663 -13.3032 -13.3032 -13.0523 -13.0523 -11.9899 -11.9899 -11.7312 -11.7312 -11.4055 -11.4055 -10.6399 -10.6399 -10.5064 -10.5064 -3.3055 -3.3055 -0.4273 -0.4273 0.1553 0.1553 0.8157 0.8157 1.1982 1.1982 1.5627 1.5627 1.9999 1.9999 3.1229 3.1229 3.6941 3.6941 3.8246 3.8246 4.1915 4.1915 4.3264 4.3264 4.3436 4.3436 4.5137 4.5137 4.6033 4.6033 4.7184 4.7184 5.1752 5.1752 5.1839 5.1839 10.1728 10.1728 12.0516 12.0516 12.6813 12.6813 12.7981 12.7981 12.9711 12.9711 13.1711 13.1711 k = 0.2571 0.1485 0.5217 ( 4382 PWs) bands (ev): -32.2866 -32.2866 -13.9898 -13.9898 -13.5655 -13.5655 -13.3042 -13.3042 -13.0594 -13.0594 -12.0280 -12.0280 -11.7459 -11.7459 -11.3848 -11.3848 -10.6454 -10.6454 -10.4979 -10.4979 -3.2516 -3.2516 -0.4803 -0.4803 0.1551 0.1551 0.8090 0.8090 1.2213 1.2213 1.5823 1.5823 2.0409 2.0409 3.0727 3.0727 3.6491 3.6491 3.8376 3.8376 4.1900 4.1900 4.3320 4.3320 4.3512 4.3512 4.4965 4.4965 4.6099 4.6099 4.7401 4.7401 5.1706 5.1706 5.1813 5.1813 10.2129 10.2129 12.0149 12.0149 12.7033 12.7033 12.8028 12.8028 12.9982 12.9982 13.1734 13.1734 k = 0.2714 0.1567 0.5217 ( 4388 PWs) bands (ev): -32.2866 -32.2866 -13.9659 -13.9659 -13.5644 -13.5644 -13.3052 -13.3052 -13.0674 -13.0674 -12.0660 -12.0660 -11.7602 -11.7602 -11.3637 -11.3637 -10.6517 -10.6517 -10.4896 -10.4896 -3.1963 -3.1963 -0.5341 -0.5341 0.1561 0.1561 0.8037 0.8037 1.2454 1.2454 1.6010 1.6010 2.0747 2.0747 3.0297 3.0297 3.6027 3.6027 3.8504 3.8504 4.1837 4.1837 4.3360 4.3360 4.3640 4.3640 4.4798 4.4798 4.6171 4.6171 4.7615 4.7615 5.1655 5.1655 5.1787 5.1787 10.2531 10.2531 11.9769 11.9769 12.7197 12.7197 12.8088 12.8088 13.0278 13.0278 13.1778 13.1778 k = 0.2857 0.1650 0.5217 ( 4380 PWs) bands (ev): -32.2866 -32.2866 -13.9414 -13.9414 -13.5628 -13.5628 -13.3061 -13.3061 -13.0761 -13.0761 -12.1036 -12.1036 -11.7742 -11.7742 -11.3420 -11.3420 -10.6589 -10.6589 -10.4818 -10.4818 -3.1401 -3.1401 -0.5884 -0.5884 0.1583 0.1583 0.8002 0.8002 1.2704 1.2704 1.6186 1.6186 2.0994 2.0994 2.9959 2.9959 3.5556 3.5556 3.8626 3.8626 4.1742 4.1742 4.3380 4.3380 4.3806 4.3806 4.4639 4.4639 4.6245 4.6245 4.7824 4.7824 5.1601 5.1601 5.1760 5.1760 10.2930 10.2930 11.9380 11.9380 12.7321 12.7321 12.8152 12.8152 13.0574 13.0574 13.1855 13.1855 k = 0.3000 0.1732 0.5217 ( 4384 PWs) bands (ev): -32.2866 -32.2866 -13.9164 -13.9164 -13.5607 -13.5607 -13.3070 -13.3070 -13.0858 -13.0858 -12.1406 -12.1406 -11.7877 -11.7877 -11.3200 -11.3200 -10.6669 -10.6669 -10.4743 -10.4743 -3.0832 -3.0832 -0.6429 -0.6429 0.1614 0.1614 0.7987 0.7987 1.2961 1.2961 1.6351 1.6351 2.1130 2.1130 2.9732 2.9732 3.5085 3.5085 3.8739 3.8739 4.1627 4.1627 4.3379 4.3379 4.3997 4.3997 4.4492 4.4492 4.6320 4.6320 4.8027 4.8027 5.1544 5.1544 5.1731 5.1731 10.3326 10.3326 11.8983 11.8983 12.7419 12.7419 12.8215 12.8215 13.0838 13.0838 13.1985 13.1985 k = 0.3143 0.1815 0.5217 ( 4380 PWs) bands (ev): -32.2865 -32.2865 -13.8911 -13.8911 -13.5580 -13.5580 -13.3079 -13.3079 -13.0965 -13.0965 -12.1766 -12.1766 -11.8006 -11.8006 -11.2977 -11.2977 -10.6758 -10.6758 -10.4672 -10.4672 -3.0261 -3.0261 -0.6975 -0.6975 0.1651 0.1651 0.7995 0.7995 1.3223 1.3223 1.6504 1.6504 2.1145 2.1145 2.9627 2.9627 3.4617 3.4617 3.8840 3.8840 4.1503 4.1503 4.3356 4.3356 4.4203 4.4203 4.4359 4.4359 4.6392 4.6392 4.8224 4.8224 5.1485 5.1485 5.1703 5.1703 10.3717 10.3717 11.8581 11.8581 12.7503 12.7503 12.8272 12.8272 13.1039 13.1039 13.2183 13.2183 k = 0.3286 0.1897 0.5217 ( 4392 PWs) bands (ev): -32.2865 -32.2865 -13.8658 -13.8658 -13.5544 -13.5544 -13.3087 -13.3087 -13.1083 -13.1083 -12.2114 -12.2114 -11.8130 -11.8130 -11.2754 -11.2754 -10.6855 -10.6855 -10.4606 -10.4606 -2.9689 -2.9689 -0.7517 -0.7517 0.1694 0.1694 0.8027 0.8027 1.3488 1.3488 1.6643 1.6643 2.1039 2.1039 2.9644 2.9644 3.4157 3.4157 3.8926 3.8926 4.1376 4.1376 4.3313 4.3313 4.4239 4.4239 4.4419 4.4419 4.6461 4.6461 4.8413 4.8413 5.1424 5.1424 5.1674 5.1674 10.4101 10.4101 11.8176 11.8176 12.7579 12.7579 12.8324 12.8324 13.1174 13.1174 13.2445 13.2445 k = 0.3429 0.1979 0.5217 ( 4400 PWs) bands (ev): -32.2865 -32.2865 -13.8409 -13.8409 -13.5498 -13.5498 -13.3095 -13.3095 -13.1212 -13.1212 -12.2447 -12.2447 -11.8246 -11.8246 -11.2531 -11.2531 -10.6959 -10.6959 -10.4544 -10.4544 -2.9123 -2.9123 -0.8053 -0.8053 0.1738 0.1738 0.8084 0.8084 1.3755 1.3755 1.6767 1.6767 2.0824 2.0824 2.9771 2.9771 3.3711 3.3711 3.8993 3.8993 4.1250 4.1250 4.3254 4.3254 4.4137 4.4137 4.4635 4.4635 4.6523 4.6523 4.8594 4.8594 5.1363 5.1363 5.1644 5.1644 10.4476 10.4476 11.7772 11.7772 12.7652 12.7652 12.8369 12.8369 13.1261 13.1261 13.2744 13.2744 k = 0.3571 0.2062 0.5217 ( 4392 PWs) bands (ev): -32.2865 -32.2865 -13.8167 -13.8167 -13.5438 -13.5438 -13.3103 -13.3103 -13.1355 -13.1355 -12.2762 -12.2762 -11.8355 -11.8355 -11.2309 -11.2309 -10.7070 -10.7070 -10.4487 -10.4487 -2.8567 -2.8567 -0.8579 -0.8579 0.1783 0.1783 0.8166 0.8166 1.4019 1.4019 1.6874 1.6874 2.0523 2.0523 2.9988 2.9988 3.3283 3.3283 3.9039 3.9039 4.1129 4.1129 4.3186 4.3186 4.4047 4.4047 4.4849 4.4849 4.6579 4.6579 4.8765 4.8765 5.1303 5.1303 5.1616 5.1616 10.4841 10.4841 11.7373 11.7373 12.7724 12.7724 12.8409 12.8409 13.1319 13.1319 13.3058 13.3058 k = 0.3714 0.2144 0.5217 ( 4396 PWs) bands (ev): -32.2865 -32.2865 -13.7937 -13.7937 -13.5363 -13.5363 -13.3110 -13.3110 -13.1510 -13.1510 -12.3055 -12.3055 -11.8456 -11.8456 -11.2091 -11.2091 -10.7185 -10.7185 -10.4436 -10.4436 -2.8025 -2.8025 -0.9089 -0.9089 0.1826 0.1826 0.8273 0.8273 1.4280 1.4280 1.6964 1.6964 2.0161 2.0161 3.0269 3.0269 3.2877 3.2877 3.9062 3.9062 4.1014 4.1014 4.3117 4.3117 4.3965 4.3965 4.5059 4.5059 4.6626 4.6626 4.8926 4.8926 5.1243 5.1243 5.1587 5.1587 10.5194 10.5194 11.6982 11.6982 12.7794 12.7794 12.8445 12.8445 13.1360 13.1360 13.3370 13.3370 k = 0.3857 0.2227 0.5217 ( 4396 PWs) bands (ev): -32.2865 -32.2865 -13.7723 -13.7723 -13.5267 -13.5267 -13.3117 -13.3117 -13.1679 -13.1679 -12.3325 -12.3325 -11.8547 -11.8547 -11.1880 -11.1880 -10.7304 -10.7304 -10.4389 -10.4389 -2.7505 -2.7505 -0.9580 -0.9580 0.1866 0.1866 0.8401 0.8401 1.4532 1.4532 1.7035 1.7035 1.9764 1.9764 3.0591 3.0591 3.2498 3.2498 3.9060 3.9060 4.0908 4.0908 4.3053 4.3053 4.3890 4.3890 4.5262 4.5262 4.6663 4.6663 4.9074 4.9074 5.1186 5.1186 5.1560 5.1560 10.5530 10.5530 11.6604 11.6604 12.7862 12.7862 12.8476 12.8476 13.1391 13.1391 13.3673 13.3673 k = 0.4000 0.2309 0.5217 ( 4400 PWs) bands (ev): -32.2865 -32.2865 -13.7530 -13.7530 -13.5148 -13.5148 -13.3125 -13.3125 -13.1861 -13.1861 -12.3569 -12.3569 -11.8629 -11.8629 -11.1676 -11.1676 -10.7424 -10.7424 -10.4347 -10.4347 -2.7014 -2.7014 -1.0043 -1.0043 0.1902 0.1902 0.8548 0.8548 1.4771 1.4771 1.7089 1.7089 1.9354 1.9354 3.0930 3.0930 3.2154 3.2154 3.9034 3.9034 4.0812 4.0812 4.3001 4.3001 4.3817 4.3817 4.5456 4.5456 4.6690 4.6690 4.9209 4.9209 5.1132 5.1132 5.1535 5.1535 10.5848 10.5848 11.6244 11.6244 12.7926 12.7926 12.8504 12.8504 13.1415 13.1415 13.3964 13.3964 k = 0.4143 0.2392 0.5217 ( 4396 PWs) bands (ev): -32.2865 -32.2865 -13.7364 -13.7364 -13.5005 -13.5005 -13.3133 -13.3133 -13.2054 -13.2054 -12.3784 -12.3784 -11.8701 -11.8701 -11.1484 -11.1484 -10.7543 -10.7543 -10.4311 -10.4311 -2.6558 -2.6558 -1.0473 -1.0473 0.1933 0.1933 0.8706 0.8706 1.4993 1.4993 1.7124 1.7124 1.8952 1.8952 3.1258 3.1258 3.1856 3.1856 3.8986 3.8986 4.0726 4.0726 4.2964 4.2964 4.3747 4.3747 4.5639 4.5639 4.6704 4.6704 4.9329 4.9329 5.1082 5.1082 5.1511 5.1511 10.6143 10.6143 11.5908 11.5908 12.7985 12.7985 12.8528 12.8528 13.1436 13.1436 13.4243 13.4243 k = 0.4286 0.2474 0.5217 ( 4394 PWs) bands (ev): -32.2865 -32.2865 -13.7225 -13.7225 -13.4837 -13.4837 -13.3143 -13.3143 -13.2256 -13.2256 -12.3968 -12.3968 -11.8763 -11.8763 -11.1308 -11.1308 -10.7657 -10.7657 -10.4280 -10.4280 -2.6148 -2.6148 -1.0860 -1.0860 0.1959 0.1959 0.8869 0.8869 1.5190 1.5190 1.7145 1.7145 1.8577 1.8577 3.1449 3.1449 3.1720 3.1720 3.8921 3.8921 4.0652 4.0652 4.2942 4.2942 4.3679 4.3679 4.5809 4.5809 4.6706 4.6706 4.9433 4.9433 5.1038 5.1038 5.1489 5.1489 10.6410 10.6410 11.5604 11.5604 12.8038 12.8038 12.8549 12.8549 13.1453 13.1453 13.4512 13.4512 k = 0.4429 0.2557 0.5217 ( 4390 PWs) bands (ev): -32.2865 -32.2865 -13.7115 -13.7115 -13.4648 -13.4648 -13.3158 -13.3158 -13.2462 -13.2462 -12.4122 -12.4122 -11.8814 -11.8814 -11.1151 -11.1151 -10.7763 -10.7763 -10.4255 -10.4255 -2.5793 -2.5793 -1.1196 -1.1196 0.1980 0.1980 0.9026 0.9026 1.5355 1.5355 1.7158 1.7158 1.8244 1.8244 3.1293 3.1293 3.1943 3.1943 3.8847 3.8847 4.0591 4.0591 4.2935 4.2935 4.3614 4.3614 4.5965 4.5965 4.6695 4.6695 4.9521 4.9521 5.1000 5.1000 5.1470 5.1470 10.6642 10.6642 11.5339 11.5339 12.8084 12.8084 12.8567 12.8567 13.1466 13.1466 13.4773 13.4773 k = 0.4571 0.2639 0.5217 ( 4380 PWs) bands (ev): -32.2865 -32.2865 -13.7033 -13.7033 -13.4445 -13.4445 -13.3184 -13.3184 -13.2660 -13.2660 -12.4242 -12.4242 -11.8854 -11.8854 -11.1020 -11.1020 -10.7853 -10.7853 -10.4235 -10.4235 -2.5503 -2.5503 -1.1470 -1.1470 0.1995 0.1995 0.9167 0.9167 1.5481 1.5481 1.7172 1.7172 1.7964 1.7964 3.1121 3.1121 3.2183 3.2183 3.8773 3.8773 4.0542 4.0542 4.2940 4.2940 4.3556 4.3556 4.6104 4.6104 4.6670 4.6670 4.9590 4.9590 5.0969 5.0969 5.1455 5.1455 10.6833 10.6833 11.5121 11.5121 12.8120 12.8120 12.8582 12.8582 13.1477 13.1477 13.5026 13.5026 k = 0.4714 0.2722 0.5217 ( 4388 PWs) bands (ev): -32.2865 -32.2865 -13.6976 -13.6976 -13.4241 -13.4241 -13.3236 -13.3236 -13.2824 -13.2824 -12.4328 -12.4328 -11.8883 -11.8883 -11.0921 -11.0921 -10.7924 -10.7924 -10.4221 -10.4221 -2.5288 -2.5288 -1.1674 -1.1674 0.2006 0.2006 0.9279 0.9279 1.5565 1.5565 1.7199 1.7199 1.7742 1.7742 3.0992 3.0992 3.2370 3.2370 3.8711 3.8711 4.0507 4.0507 4.2950 4.2950 4.3508 4.3508 4.6223 4.6223 4.6634 4.6634 4.9640 4.9640 5.0946 5.0946 5.1444 5.1444 10.6976 10.6976 11.4957 11.4957 12.8146 12.8146 12.8592 12.8592 13.1485 13.1485 13.5270 13.5270 k = 0.4857 0.2804 0.5217 ( 4388 PWs) bands (ev): -32.2865 -32.2865 -13.6943 -13.6943 -13.4064 -13.4064 -13.3321 -13.3321 -13.2923 -13.2923 -12.4380 -12.4380 -11.8900 -11.8900 -11.0858 -11.0858 -10.7970 -10.7970 -10.4213 -10.4213 -2.5155 -2.5155 -1.1800 -1.1800 0.2013 0.2013 0.9352 0.9352 1.5610 1.5610 1.7242 1.7242 1.7581 1.7581 3.0912 3.0912 3.2489 3.2489 3.8668 3.8668 4.0486 4.0486 4.2961 4.2961 4.3476 4.3476 4.6315 4.6315 4.6592 4.6592 4.9670 4.9670 5.0933 5.0933 5.1437 5.1437 10.7065 10.7065 11.4856 11.4856 12.8162 12.8162 12.8599 12.8599 13.1490 13.1490 13.5484 13.5484 k = 0.5000 0.2887 0.5217 ( 4380 PWs) bands (ev): -32.2865 -32.2865 -13.6932 -13.6932 -13.3983 -13.3983 -13.3375 -13.3375 -13.2951 -13.2951 -12.4397 -12.4397 -11.8906 -11.8906 -11.0837 -11.0837 -10.7985 -10.7985 -10.4210 -10.4210 -2.5110 -2.5110 -1.1843 -1.1843 0.2015 0.2015 0.9377 0.9377 1.5624 1.5624 1.7272 1.7272 1.7513 1.7513 3.0886 3.0886 3.2529 3.2529 3.8653 3.8653 4.0479 4.0479 4.2965 4.2965 4.3465 4.3465 4.6354 4.6354 4.6570 4.6570 4.9681 4.9681 5.0928 5.0928 5.1435 5.1435 10.7095 10.7095 11.4822 11.4822 12.8168 12.8168 12.8601 12.8601 13.1491 13.1491 13.5588 13.5588 k = 0.5000 0.2887 0.5217 ( 4380 PWs) bands (ev): -32.2865 -32.2865 -13.6932 -13.6932 -13.3983 -13.3983 -13.3375 -13.3375 -13.2951 -13.2951 -12.4397 -12.4397 -11.8906 -11.8906 -11.0837 -11.0837 -10.7985 -10.7985 -10.4210 -10.4210 -2.5110 -2.5110 -1.1843 -1.1843 0.2015 0.2015 0.9377 0.9377 1.5624 1.5624 1.7272 1.7272 1.7513 1.7513 3.0886 3.0886 3.2529 3.2529 3.8653 3.8653 4.0479 4.0479 4.2965 4.2965 4.3465 4.3465 4.6354 4.6354 4.6570 4.6570 4.9681 4.9681 5.0928 5.0928 5.1435 5.1435 10.7095 10.7095 11.4822 11.4822 12.8168 12.8168 12.8601 12.8601 13.1491 13.1491 13.5588 13.5588 k = 0.4917 0.3031 0.5217 ( 4384 PWs) bands (ev): -32.2865 -32.2865 -13.6931 -13.6931 -13.3983 -13.3983 -13.3368 -13.3368 -13.2949 -13.2949 -12.4420 -12.4420 -11.8898 -11.8898 -11.0833 -11.0833 -10.7990 -10.7990 -10.4207 -10.4207 -2.5092 -2.5092 -1.1864 -1.1864 0.2029 0.2029 0.9366 0.9366 1.5630 1.5630 1.7085 1.7085 1.7716 1.7716 3.0867 3.0867 3.2487 3.2487 3.8673 3.8673 4.0500 4.0500 4.2974 4.2974 4.3462 4.3462 4.6351 4.6351 4.6567 4.6567 4.9687 4.9687 5.0912 5.0912 5.1451 5.1451 10.7104 10.7104 11.4809 11.4809 12.8146 12.8146 12.8597 12.8597 13.1491 13.1491 13.5585 13.5585 k = 0.4833 0.3175 0.5217 ( 4376 PWs) bands (ev): -32.2865 -32.2865 -13.6928 -13.6928 -13.3983 -13.3983 -13.3347 -13.3347 -13.2940 -13.2940 -12.4487 -12.4487 -11.8874 -11.8874 -11.0821 -11.0821 -10.8006 -10.8006 -10.4198 -10.4198 -2.5040 -2.5040 -1.1928 -1.1928 0.2071 0.2071 0.9333 0.9333 1.5642 1.5642 1.6843 1.6843 1.8015 1.8015 3.0810 3.0810 3.2363 3.2363 3.8731 3.8731 4.0561 4.0561 4.2999 4.2999 4.3453 4.3453 4.6342 4.6342 4.6560 4.6560 4.9707 4.9707 5.0870 5.0870 5.1493 5.1493 10.7131 10.7131 11.4771 11.4771 12.8082 12.8082 12.8588 12.8588 13.1490 13.1490 13.5575 13.5575 k = 0.4750 0.3320 0.5217 ( 4380 PWs) bands (ev): -32.2865 -32.2865 -13.6923 -13.6923 -13.3982 -13.3982 -13.3315 -13.3315 -13.2922 -13.2922 -12.4596 -12.4596 -11.8837 -11.8837 -11.0801 -11.0801 -10.8031 -10.8031 -10.4185 -10.4185 -2.4952 -2.4952 -1.2034 -1.2034 0.2142 0.2142 0.9280 0.9280 1.5630 1.5630 1.6653 1.6653 1.8328 1.8328 3.0718 3.0718 3.2161 3.2161 3.8825 3.8825 4.0656 4.0656 4.3039 4.3039 4.3438 4.3438 4.6328 4.6328 4.6549 4.6549 4.9739 4.9739 5.0813 5.0813 5.1553 5.1553 10.7176 10.7176 11.4708 11.4708 12.7974 12.7974 12.8576 12.8576 13.1488 13.1488 13.5553 13.5553 k = 0.4667 0.3464 0.5217 ( 4380 PWs) bands (ev): -32.2865 -32.2865 -13.6916 -13.6916 -13.3979 -13.3979 -13.3278 -13.3278 -13.2891 -13.2891 -12.4744 -12.4744 -11.8788 -11.8788 -11.0774 -11.0774 -10.8066 -10.8066 -10.4167 -10.4167 -2.4830 -2.4830 -1.2182 -1.2182 0.2239 0.2239 0.9206 0.9206 1.5552 1.5552 1.6564 1.6564 1.8649 1.8649 3.0594 3.0594 3.1890 3.1890 3.8952 3.8952 4.0781 4.0781 4.3094 4.3094 4.3417 4.3417 4.6308 4.6308 4.6534 4.6534 4.9780 4.9780 5.0748 5.0748 5.1620 5.1620 10.7240 10.7240 11.4619 11.4619 12.7829 12.7829 12.8564 12.8564 13.1484 13.1484 13.5512 13.5512 k = 0.4583 0.3608 0.5217 ( 4376 PWs) bands (ev): -32.2865 -32.2865 -13.6907 -13.6907 -13.3973 -13.3973 -13.3243 -13.3243 -13.2842 -13.2842 -12.4929 -12.4929 -11.8731 -11.8731 -11.0739 -11.0739 -10.8109 -10.8109 -10.4145 -10.4145 -2.4674 -2.4674 -1.2369 -1.2369 0.2364 0.2364 0.9115 0.9115 1.5384 1.5384 1.6599 1.6599 1.8976 1.8976 3.0441 3.0441 3.1558 3.1558 3.9109 3.9109 4.0927 4.0927 4.3162 4.3162 4.3392 4.3392 4.6283 4.6283 4.6518 4.6518 4.9829 4.9829 5.0681 5.0681 5.1691 5.1691 10.7322 10.7322 11.4507 11.4507 12.7655 12.7655 12.8548 12.8548 13.1479 13.1479 13.5450 13.5450 k = 0.4500 0.3753 0.5217 ( 4380 PWs) bands (ev): -32.2865 -32.2865 -13.6897 -13.6897 -13.3964 -13.3964 -13.3214 -13.3214 -13.2770 -13.2770 -12.5146 -12.5146 -11.8669 -11.8669 -11.0696 -11.0696 -10.8159 -10.8159 -10.4121 -10.4121 -2.4483 -2.4483 -1.2595 -1.2595 0.2514 0.2514 0.9008 0.9008 1.5154 1.5154 1.6727 1.6727 1.9309 1.9309 3.0263 3.0263 3.1174 3.1174 3.9291 3.9291 4.1087 4.1087 4.3239 4.3239 4.3362 4.3362 4.6254 4.6254 4.6502 4.6502 4.9881 4.9881 5.0615 5.0615 5.1762 5.1762 10.7422 10.7422 11.4372 11.4372 12.7459 12.7459 12.8528 12.8528 13.1471 13.1471 13.5365 13.5365 k = 0.4417 0.3897 0.5217 ( 4380 PWs) bands (ev): -32.2865 -32.2865 -13.6885 -13.6885 -13.3950 -13.3950 -13.3196 -13.3196 -13.2672 -13.2672 -12.5391 -12.5391 -11.8605 -11.8605 -11.0645 -11.0645 -10.8216 -10.8216 -10.4095 -10.4095 -2.4260 -2.4260 -1.2857 -1.2857 0.2690 0.2690 0.8886 0.8886 1.4893 1.4893 1.6915 1.6915 1.9648 1.9648 3.0063 3.0063 3.0748 3.0748 3.9493 3.9493 4.1254 4.1254 4.3310 4.3310 4.3343 4.3343 4.6221 4.6221 4.6488 4.6488 4.9935 4.9935 5.0553 5.0553 5.1831 5.1831 10.7540 10.7540 11.4214 11.4214 12.7254 12.7254 12.8500 12.8500 13.1461 13.1461 13.5263 13.5263 k = 0.4333 0.4041 0.5217 ( 4376 PWs) bands (ev): -32.2865 -32.2865 -13.6872 -13.6872 -13.3932 -13.3932 -13.3186 -13.3186 -13.2551 -13.2551 -12.5662 -12.5662 -11.8540 -11.8540 -11.0588 -11.0588 -10.8278 -10.8278 -10.4069 -10.4069 -2.4003 -2.4003 -1.3155 -1.3155 0.2889 0.2889 0.8751 0.8751 1.4620 1.4620 1.7142 1.7142 1.9993 1.9993 2.9842 2.9842 3.0291 3.0291 3.9712 3.9712 4.1421 4.1421 4.3283 4.3283 4.3422 4.3422 4.6186 4.6186 4.6475 4.6475 4.9987 4.9987 5.0496 5.0496 5.1897 5.1897 10.7676 10.7676 11.4035 11.4035 12.7048 12.7048 12.8461 12.8461 13.1449 13.1449 13.5150 13.5150 k = 0.4250 0.4186 0.5217 ( 4376 PWs) bands (ev): -32.2865 -32.2865 -13.6858 -13.6858 -13.3909 -13.3909 -13.3183 -13.3183 -13.2408 -13.2408 -12.5954 -12.5954 -11.8479 -11.8479 -11.0523 -11.0523 -10.8345 -10.8345 -10.4042 -10.4042 -2.3715 -2.3715 -1.3485 -1.3485 0.3110 0.3110 0.8605 0.8605 1.4344 1.4344 1.7397 1.7397 2.0344 2.0344 2.9588 2.9588 2.9826 2.9826 3.9943 3.9943 4.1585 4.1585 4.3242 4.3242 4.3513 4.3513 4.6151 4.6151 4.6465 4.6465 5.0035 5.0035 5.0445 5.0445 5.1959 5.1959 10.7830 10.7830 11.3836 11.3836 12.6850 12.6850 12.8407 12.8407 13.1434 13.1434 13.5035 13.5035 k = 0.4167 0.4330 0.5217 ( 4370 PWs) bands (ev): -32.2865 -32.2865 -13.6843 -13.6843 -13.3881 -13.3881 -13.3186 -13.3186 -13.2246 -13.2246 -12.6264 -12.6264 -11.8421 -11.8421 -11.0451 -11.0451 -10.8416 -10.8416 -10.4017 -10.4017 -2.3395 -2.3395 -1.3846 -1.3846 0.3352 0.3352 0.8447 0.8447 1.4071 1.4071 1.7671 1.7671 2.0702 2.0702 2.9207 2.9207 2.9458 2.9458 4.0182 4.0182 4.1740 4.1740 4.3197 4.3197 4.3601 4.3601 4.6118 4.6118 4.6459 4.6459 5.0077 5.0077 5.0400 5.0400 5.2016 5.2016 10.8002 10.8002 11.3618 11.3618 12.6667 12.6667 12.8336 12.8336 13.1417 13.1417 13.4924 13.4924 k = 0.4083 0.4474 0.5217 ( 4370 PWs) bands (ev): -32.2865 -32.2865 -13.6828 -13.6828 -13.3849 -13.3849 -13.3192 -13.3192 -13.2065 -13.2065 -12.6590 -12.6590 -11.8369 -11.8369 -11.0372 -11.0372 -10.8492 -10.8492 -10.3993 -10.3993 -2.3046 -2.3046 -1.4236 -1.4236 0.3613 0.3613 0.8280 0.8280 1.3804 1.3804 1.7958 1.7958 2.1065 2.1065 2.8702 2.8702 2.9194 2.9194 4.0427 4.0427 4.1884 4.1884 4.3152 4.3152 4.3682 4.3682 4.6089 4.6089 4.6456 4.6456 5.0110 5.0110 5.0362 5.0362 5.2068 5.2068 10.8191 10.8191 11.3382 11.3382 12.6506 12.6506 12.8246 12.8246 13.1399 13.1399 13.4823 13.4823 k = 0.4000 0.4619 0.5217 ( 4366 PWs) bands (ev): -32.2865 -32.2865 -13.6813 -13.6813 -13.3812 -13.3812 -13.3202 -13.3202 -13.1868 -13.1868 -12.6928 -12.6928 -11.8323 -11.8323 -11.0286 -11.0286 -10.8571 -10.8571 -10.3971 -10.3971 -2.2667 -2.2667 -1.4653 -1.4653 0.3889 0.3889 0.8103 0.8103 1.3547 1.3547 1.8252 1.8252 2.1435 2.1435 2.8167 2.8167 2.8948 2.8948 4.0674 4.0674 4.2012 4.2012 4.3106 4.3106 4.3750 4.3750 4.6069 4.6069 4.6455 4.6455 5.0134 5.0134 5.0331 5.0331 5.2115 5.2115 10.8398 10.8398 11.3130 11.3130 12.6373 12.6373 12.8135 12.8135 13.1381 13.1381 13.4735 13.4735 k = 0.3917 0.4763 0.5217 ( 4368 PWs) bands (ev): -32.2865 -32.2865 -13.6798 -13.6798 -13.3771 -13.3771 -13.3215 -13.3215 -13.1654 -13.1654 -12.7276 -12.7276 -11.8284 -11.8284 -11.0194 -11.0194 -10.8654 -10.8654 -10.3952 -10.3952 -2.2260 -2.2260 -1.5095 -1.5095 0.4178 0.4178 0.7918 0.7918 1.3304 1.3304 1.8548 1.8548 2.1810 2.1810 2.7624 2.7624 2.8708 2.8708 4.0919 4.0919 4.2123 4.2123 4.3062 4.3062 4.3801 4.3801 4.6060 4.6060 4.6455 4.6455 5.0149 5.0149 5.0307 5.0307 5.2156 5.2156 10.8623 10.8623 11.2863 11.2863 12.6272 12.6272 12.8004 12.8004 13.1364 13.1364 13.4662 13.4662 k = 0.3833 0.4907 0.5217 ( 4364 PWs) bands (ev): -32.2865 -32.2865 -13.6783 -13.6783 -13.3727 -13.3727 -13.3231 -13.3231 -13.1424 -13.1424 -12.7631 -12.7631 -11.8252 -11.8252 -11.0096 -11.0096 -10.8742 -10.8742 -10.3935 -10.3935 -2.1826 -2.1826 -1.5559 -1.5559 0.4476 0.4476 0.7725 0.7725 1.3078 1.3078 1.8840 1.8840 2.2189 2.2189 2.7081 2.7081 2.8476 2.8476 4.1159 4.1159 4.2215 4.2215 4.3020 4.3020 4.3831 4.3831 4.6064 4.6064 4.6454 4.6454 5.0156 5.0156 5.0289 5.0289 5.2191 5.2191 10.8865 10.8865 11.2581 11.2581 12.6207 12.6207 12.7855 12.7855 13.1348 13.1348 13.4604 13.4604 k = 0.3750 0.5052 0.5217 ( 4372 PWs) bands (ev): -32.2865 -32.2865 -13.6770 -13.6770 -13.3679 -13.3679 -13.3249 -13.3249 -13.1180 -13.1180 -12.7990 -12.7990 -11.8226 -11.8226 -10.9993 -10.9993 -10.8834 -10.8834 -10.3921 -10.3921 -2.1367 -2.1367 -1.6045 -1.6045 0.4779 0.4779 0.7526 0.7526 1.2873 1.2873 1.9121 1.9121 2.2569 2.2569 2.6548 2.6548 2.8255 2.8255 4.1391 4.1391 4.2284 4.2284 4.2983 4.2983 4.3840 4.3840 4.6082 4.6082 4.6452 4.6452 5.0156 5.0156 5.0275 5.0275 5.2220 5.2220 10.9123 10.9123 11.2287 11.2287 12.6179 12.6179 12.7691 12.7691 13.1335 13.1335 13.4560 13.4560 k = 0.3667 0.5196 0.5217 ( 4368 PWs) bands (ev): -32.2865 -32.2865 -13.6758 -13.6758 -13.3629 -13.3629 -13.3271 -13.3271 -13.0920 -13.0920 -12.8351 -12.8351 -11.8207 -11.8207 -10.9884 -10.9884 -10.8931 -10.8931 -10.3910 -10.3910 -2.0884 -2.0884 -1.6549 -1.6549 0.5079 0.5079 0.7323 0.7323 1.2692 1.2692 1.9382 1.9382 2.2947 2.2947 2.6035 2.6035 2.8051 2.8051 4.1610 4.1610 4.2329 4.2329 4.2951 4.2951 4.3830 4.3830 4.6115 4.6115 4.6444 4.6444 5.0152 5.0152 5.0263 5.0263 5.2244 5.2244 10.9399 10.9399 11.1981 11.1981 12.6189 12.6189 12.7515 12.7515 13.1326 13.1326 13.4527 13.4528 k = 0.3583 0.5340 0.5217 ( 4368 PWs) bands (ev): -32.2865 -32.2865 -13.6748 -13.6748 -13.3577 -13.3577 -13.3297 -13.3297 -13.0646 -13.0646 -12.8710 -12.8710 -11.8194 -11.8194 -10.9770 -10.9770 -10.9034 -10.9034 -10.3901 -10.3901 -2.0379 -2.0379 -1.7071 -1.7071 0.5369 0.5369 0.7119 0.7119 1.2542 1.2542 1.9613 1.9613 2.3314 2.3314 2.5554 2.5554 2.7869 2.7869 4.1811 4.1811 4.2349 4.2349 4.2927 4.2927 4.3804 4.3804 4.6158 4.6158 4.6429 4.6429 5.0147 5.0147 5.0254 5.0254 5.2262 5.2262 10.9691 10.9691 11.1664 11.1664 12.6236 12.6236 12.7334 12.7334 13.1319 13.1319 13.4504 13.4504 k = 0.3500 0.5485 0.5217 ( 4372 PWs) bands (ev): -32.2865 -32.2865 -13.6740 -13.6740 -13.3524 -13.3524 -13.3327 -13.3327 -13.0358 -13.0358 -12.9064 -12.9064 -11.8186 -11.8186 -10.9653 -10.9653 -10.9143 -10.9143 -10.3895 -10.3895 -1.9853 -1.9853 -1.7608 -1.7608 0.5632 0.5632 0.6924 0.6924 1.2428 1.2428 1.9801 1.9801 2.3656 2.3656 2.5125 2.5125 2.7720 2.7720 4.1985 4.1985 4.2344 4.2344 4.2911 4.2911 4.3771 4.3771 4.6210 4.6210 4.6405 4.6405 5.0144 5.0144 5.0245 5.0245 5.2275 5.2275 10.9998 10.9998 11.1338 11.1338 12.6314 12.6314 12.7157 12.7157 13.1315 13.1315 13.4489 13.4489 k = 0.3417 0.5629 0.5217 ( 4378 PWs) bands (ev): -32.2865 -32.2865 -13.6734 -13.6734 -13.3473 -13.3473 -13.3363 -13.3363 -13.0057 -13.0057 -12.9408 -12.9408 -11.8181 -11.8181 -10.9535 -10.9535 -10.9254 -10.9254 -10.3891 -10.3891 -1.9312 -1.9312 -1.8156 -1.8156 0.5840 0.5840 0.6762 0.6762 1.2355 1.2355 1.9927 1.9927 2.3938 2.3938 2.4790 2.4790 2.7618 2.7618 4.2118 4.2118 4.2319 4.2319 4.2902 4.2902 4.3742 4.3742 4.6265 4.6265 4.6370 4.6370 5.0142 5.0142 5.0238 5.0238 5.2282 5.2282 11.0321 11.0321 11.1003 11.1003 12.6407 12.6407 12.7004 12.7004 13.1312 13.1312 13.4479 13.4479 k = 0.3333 0.5774 0.5217 ( 4386 PWs) bands (ev): -32.2865 -32.2865 -13.6733 -13.6733 -13.3440 -13.3440 -13.3391 -13.3391 -12.9766 -12.9766 -12.9714 -12.9714 -11.8180 -11.8180 -10.9454 -10.9454 -10.9333 -10.9333 -10.3890 -10.3890 -1.8850 -1.8850 -1.8620 -1.8620 0.5925 0.5925 0.6693 0.6693 1.2329 1.2329 1.9973 1.9973 2.4060 2.4060 2.4651 2.4651 2.7579 2.7579 4.2176 4.2176 4.2300 4.2300 4.2899 4.2899 4.3729 4.3729 4.6310 4.6310 4.6333 4.6333 5.0142 5.0142 5.0235 5.0235 5.2284 5.2284 11.0643 11.0643 11.0677 11.0677 12.6459 12.6459 12.6932 12.6932 13.1311 13.1311 13.4476 13.4476 k = 0.3333 0.5774 0.5217 ( 4386 PWs) bands (ev): -32.2865 -32.2865 -13.6733 -13.6733 -13.3440 -13.3440 -13.3391 -13.3391 -12.9766 -12.9766 -12.9714 -12.9714 -11.8180 -11.8180 -10.9454 -10.9454 -10.9333 -10.9333 -10.3890 -10.3890 -1.8850 -1.8850 -1.8620 -1.8620 0.5925 0.5925 0.6693 0.6693 1.2329 1.2329 1.9973 1.9973 2.4060 2.4060 2.4651 2.4651 2.7579 2.7579 4.2176 4.2176 4.2300 4.2300 4.2899 4.2899 4.3729 4.3729 4.6310 4.6310 4.6333 4.6333 5.0142 5.0142 5.0235 5.0235 5.2284 5.2284 11.0643 11.0643 11.0677 11.0677 12.6459 12.6459 12.6932 12.6932 13.1311 13.1311 13.4476 13.4476 k = 0.3250 0.5629 0.5217 ( 4378 PWs) bands (ev): -32.2865 -32.2865 -13.6735 -13.6735 -13.3478 -13.3478 -13.3359 -13.3359 -13.0052 -13.0052 -12.9410 -12.9410 -11.8181 -11.8181 -10.9541 -10.9541 -10.9249 -10.9249 -10.3891 -10.3891 -1.9326 -1.9326 -1.8143 -1.8143 0.5845 0.5845 0.6755 0.6755 1.2356 1.2356 1.9923 1.9923 2.3988 2.3988 2.4738 2.4738 2.7624 2.7624 4.2128 4.2128 4.2307 4.2307 4.2902 4.2902 4.3745 4.3745 4.6261 4.6261 4.6374 4.6374 5.0140 5.0140 5.0240 5.0240 5.2282 5.2282 11.0311 11.0311 11.1014 11.1014 12.6399 12.6399 12.7011 12.7011 13.1312 13.1312 13.4480 13.4480 k = 0.3167 0.5485 0.5217 ( 4374 PWs) bands (ev): -32.2865 -32.2865 -13.6742 -13.6742 -13.3548 -13.3548 -13.3315 -13.3315 -13.0338 -13.0338 -12.9070 -12.9070 -11.8183 -11.8183 -10.9677 -10.9677 -10.9120 -10.9120 -10.3895 -10.3895 -1.9910 -1.9910 -1.7552 -1.7552 0.5661 0.5661 0.6882 0.6882 1.2439 1.2439 1.9771 1.9771 2.3904 2.3904 2.4861 2.4861 2.7769 2.7769 4.2027 4.2027 4.2285 4.2285 4.2911 4.2911 4.3794 4.3794 4.6191 4.6191 4.6417 4.6417 5.0128 5.0128 5.0262 5.0262 5.2275 5.2275 10.9956 10.9956 11.1381 11.1381 12.6272 12.6272 12.7196 12.7196 13.1313 13.1313 13.4494 13.4494 k = 0.3083 0.5340 0.5217 ( 4374 PWs) bands (ev): -32.2865 -32.2865 -13.6755 -13.6755 -13.3637 -13.3637 -13.3274 -13.3274 -13.0591 -13.0591 -12.8717 -12.8717 -11.8185 -11.8185 -10.9827 -10.9827 -10.8985 -10.8985 -10.3901 -10.3901 -2.0509 -2.0509 -1.6946 -1.6946 0.5434 0.5434 0.7011 0.7011 1.2578 1.2578 1.9525 1.9525 2.3876 2.3876 2.4941 2.4941 2.8014 2.8014 4.1896 4.1896 4.2217 4.2217 4.2926 4.2926 4.3871 4.3871 4.6112 4.6112 4.6450 4.6450 5.0106 5.0106 5.0300 5.0300 5.2264 5.2264 10.9596 10.9596 11.1762 11.1762 12.6133 12.6133 12.7426 12.7426 13.1315 13.1315 13.4522 13.4522 k = 0.3000 0.5196 0.5217 ( 4366 PWs) bands (ev): -32.2865 -32.2865 -13.6775 -13.6775 -13.3749 -13.3749 -13.3238 -13.3238 -13.0807 -13.0807 -12.8352 -12.8352 -11.8186 -11.8186 -10.9987 -10.9987 -10.8847 -10.8847 -10.3910 -10.3910 -2.1117 -2.1117 -1.6327 -1.6327 0.5187 0.5187 0.7120 0.7120 1.2771 1.2771 1.9206 1.9206 2.3901 2.3901 2.4975 2.4975 2.8349 2.8349 4.1737 4.1737 4.2110 4.2110 4.2948 4.2948 4.3967 4.3967 4.6026 4.6026 4.6472 4.6472 5.0073 5.0073 5.0353 5.0353 5.2249 5.2249 10.9232 10.9232 11.2156 11.2156 12.6000 12.6000 12.7679 12.7679 13.1316 13.1316 13.4566 13.4566 k = 0.2917 0.5052 0.5217 ( 4366 PWs) bands (ev): -32.2865 -32.2865 -13.6804 -13.6804 -13.3885 -13.3885 -13.3208 -13.3208 -13.0980 -13.0980 -12.7975 -12.7975 -11.8185 -11.8185 -11.0156 -11.0156 -10.8706 -10.8706 -10.3922 -10.3922 -2.1733 -2.1733 -1.5698 -1.5698 0.4932 0.4932 0.7203 0.7203 1.3010 1.3010 1.8834 1.8834 2.3961 2.3961 2.4979 2.4979 2.8752 2.8752 4.1555 4.1555 4.1975 4.1975 4.2979 4.2979 4.4072 4.4072 4.5937 4.5937 4.6481 4.6481 5.0030 5.0030 5.0418 5.0418 5.2230 5.2230 10.8864 10.8864 11.2561 11.2561 12.5880 12.5880 12.7938 12.7938 13.1317 13.1317 13.4626 13.4626 k = 0.2833 0.4907 0.5217 ( 4366 PWs) bands (ev): -32.2865 -32.2865 -13.6844 -13.6844 -13.4042 -13.4042 -13.3184 -13.3184 -13.1108 -13.1108 -12.7589 -12.7589 -11.8181 -11.8181 -11.0335 -11.0335 -10.8564 -10.8564 -10.3937 -10.3937 -2.2357 -2.2357 -1.5062 -1.5062 0.4671 0.4671 0.7263 0.7263 1.3288 1.3288 1.8430 1.8430 2.4035 2.4035 2.4971 2.4971 2.9208 2.9208 4.1351 4.1351 4.1819 4.1819 4.3020 4.3020 4.4177 4.4177 4.5848 4.5848 4.6475 4.6475 4.9978 4.9978 5.0494 5.0494 5.2208 5.2208 10.8492 10.8492 11.2978 11.2978 12.5777 12.5777 12.8194 12.8194 13.1318 13.1318 13.4700 13.4700 k = 0.2750 0.4763 0.5217 ( 4358 PWs) bands (ev): -32.2865 -32.2865 -13.6898 -13.6898 -13.4218 -13.4218 -13.3165 -13.3165 -13.1195 -13.1195 -12.7192 -12.7192 -11.8174 -11.8174 -11.0521 -11.0521 -10.8422 -10.8422 -10.3955 -10.3955 -2.2986 -2.2986 -1.4419 -1.4419 0.4409 0.4409 0.7303 0.7303 1.3592 1.3592 1.8006 1.8006 2.4110 2.4110 2.4967 2.4967 2.9702 2.9702 4.1130 4.1130 4.1648 4.1648 4.3070 4.3070 4.4276 4.4276 4.5759 4.5759 4.6456 4.6456 4.9915 4.9915 5.0578 5.0578 5.2182 5.2182 10.8118 10.8118 11.3405 11.3405 12.5691 12.5691 12.8436 12.8436 13.1318 13.1318 13.4774 13.4774 k = 0.2667 0.4619 0.5217 ( 4364 PWs) bands (ev): -32.2865 -32.2865 -13.6968 -13.6968 -13.4405 -13.4405 -13.3150 -13.3150 -13.1244 -13.1244 -12.6786 -12.6786 -11.8162 -11.8162 -11.0716 -11.0716 -10.8279 -10.8279 -10.3977 -10.3977 -2.3621 -2.3621 -1.3772 -1.3772 0.4149 0.4149 0.7329 0.7329 1.3911 1.3911 1.7574 1.7574 2.4176 2.4176 2.4975 2.4975 3.0224 3.0224 4.0896 4.0896 4.1467 4.1467 4.3131 4.3131 4.4366 4.4366 4.5674 4.5674 4.6423 4.6423 4.9840 4.9840 5.0668 5.0668 5.2154 5.2154 10.7741 10.7741 11.3841 11.3841 12.5624 12.5624 12.8655 12.8655 13.1318 13.1318 13.4828 13.4828 k = 0.2583 0.4474 0.5217 ( 4360 PWs) bands (ev): -32.2865 -32.2865 -13.7059 -13.7059 -13.4593 -13.4593 -13.3139 -13.3139 -13.1262 -13.1262 -12.6371 -12.6371 -11.8145 -11.8145 -11.0918 -11.0918 -10.8137 -10.8137 -10.4004 -10.4004 -2.4260 -2.4260 -1.3122 -1.3122 0.3891 0.3891 0.7346 0.7346 1.4232 1.4232 1.7142 1.7142 2.4226 2.4226 2.5004 2.5004 3.0766 3.0766 4.0657 4.0657 4.1279 4.1279 4.3203 4.3203 4.4442 4.4442 4.5591 4.5591 4.6377 4.6377 4.9754 4.9754 5.0762 5.0762 5.2124 5.2124 10.7362 10.7362 11.4284 11.4284 12.5576 12.5576 12.8844 12.8844 13.1317 13.1317 13.4842 13.4842 k = 0.2500 0.4330 0.5217 ( 4364 PWs) bands (ev): -32.2865 -32.2865 -13.7172 -13.7172 -13.4775 -13.4775 -13.3131 -13.3131 -13.1254 -13.1254 -12.5948 -12.5948 -11.8122 -11.8122 -11.1127 -11.1127 -10.7996 -10.7996 -10.4035 -10.4035 -2.4901 -2.4901 -1.2470 -1.2470 0.3640 0.3640 0.7359 0.7359 1.4543 1.4543 1.6715 1.6715 2.4255 2.4255 2.5059 2.5059 3.1325 3.1325 4.0419 4.0419 4.1086 4.1086 4.3285 4.3285 4.4500 4.4500 4.5513 4.5513 4.6322 4.6322 4.9656 4.9656 5.0860 5.0860 5.2092 5.2092 10.6981 10.6981 11.4734 11.4734 12.5545 12.5545 12.9000 12.9000 13.1315 13.1315 13.4803 13.4803 k = 0.2417 0.4186 0.5217 ( 4366 PWs) bands (ev): -32.2865 -32.2865 -13.7310 -13.7310 -13.4943 -13.4943 -13.3124 -13.3124 -13.1228 -13.1228 -12.5518 -12.5518 -11.8092 -11.8092 -11.1341 -11.1341 -10.7857 -10.7857 -10.4071 -10.4071 -2.5545 -2.5545 -1.1819 -1.1819 0.3395 0.3395 0.7372 0.7372 1.4827 1.4827 1.6303 1.6303 2.4254 2.4254 2.5151 2.5151 3.1895 3.1895 4.0189 4.0189 4.0889 4.0889 4.3378 4.3378 4.4537 4.4537 4.5438 4.5438 4.6261 4.6261 4.9544 4.9544 5.0959 5.0959 5.2059 5.2059 10.6597 10.6597 11.5188 11.5188 12.5531 12.5531 12.9122 12.9122 13.1312 13.1312 13.4708 13.4708 k = 0.2333 0.4041 0.5217 ( 4374 PWs) bands (ev): -32.2865 -32.2865 -13.7475 -13.7475 -13.5091 -13.5091 -13.3117 -13.3117 -13.1188 -13.1188 -12.5082 -12.5082 -11.8056 -11.8056 -11.1560 -11.1560 -10.7720 -10.7720 -10.4112 -10.4112 -2.6189 -2.6189 -1.1168 -1.1168 0.3161 0.3161 0.7387 0.7387 1.5059 1.5059 1.5922 1.5922 2.4212 2.4212 2.5293 2.5293 3.2473 3.2473 3.9974 3.9974 4.0691 4.0691 4.3481 4.3481 4.4550 4.4550 4.5367 4.5367 4.6196 4.6196 4.9419 4.9419 5.1058 5.1058 5.2026 5.2026 10.6211 10.6211 11.5646 11.5646 12.5533 12.5533 12.9210 12.9210 13.1308 13.1308 13.4559 13.4559 k = 0.2250 0.3897 0.5217 ( 4382 PWs) bands (ev): -32.2865 -32.2865 -13.7665 -13.7665 -13.5217 -13.5217 -13.3112 -13.3112 -13.1137 -13.1137 -12.4640 -12.4640 -11.8012 -11.8012 -11.1783 -11.1783 -10.7587 -10.7587 -10.4158 -10.4158 -2.6833 -2.6833 -1.0521 -1.0521 0.2937 0.2937 0.7407 0.7407 1.5145 1.5145 1.5662 1.5662 2.4118 2.4118 2.5497 2.5497 3.3056 3.3056 3.9779 3.9779 4.0491 4.0491 4.3595 4.3595 4.4536 4.4536 4.5297 4.5297 4.6133 4.6133 4.9280 4.9280 5.1156 5.1156 5.1993 5.1993 10.5822 10.5822 11.6106 11.6106 12.5549 12.5549 12.9269 12.9269 13.1302 13.1302 13.4356 13.4356 k = 0.2167 0.3753 0.5217 ( 4378 PWs) bands (ev): -32.2865 -32.2865 -13.7877 -13.7877 -13.5321 -13.5321 -13.3106 -13.3106 -13.1078 -13.1078 -12.4194 -12.4194 -11.7961 -11.7961 -11.2010 -11.2010 -10.7457 -10.7457 -10.4210 -10.4210 -2.7476 -2.7476 -0.9877 -0.9877 0.2727 0.2727 0.7434 0.7434 1.4928 1.4928 1.5674 1.5674 2.3967 2.3967 2.5766 2.5766 3.3640 3.3640 3.9610 3.9610 4.0292 4.0292 4.3718 4.3718 4.4491 4.4491 4.5230 4.5230 4.6074 4.6074 4.9127 4.9127 5.1251 5.1251 5.1961 5.1961 10.5431 10.5431 11.6565 11.6565 12.5576 12.5576 12.9301 12.9301 13.1294 13.1294 13.4100 13.4100 k = 0.2083 0.3608 0.5217 ( 4382 PWs) bands (ev): -32.2865 -32.2865 -13.8106 -13.8106 -13.5405 -13.5405 -13.3099 -13.3099 -13.1015 -13.1015 -12.3744 -12.3744 -11.7902 -11.7902 -11.2238 -11.2238 -10.7331 -10.7331 -10.4268 -10.4268 -2.8115 -2.8115 -0.9239 -0.9239 0.2531 0.2531 0.7469 0.7469 1.4589 1.4589 1.5776 1.5776 2.3760 2.3760 2.6102 2.6102 3.4222 3.4222 3.9471 3.9471 4.0095 4.0095 4.3851 4.3851 4.4417 4.4417 4.5164 4.5164 4.6023 4.6023 4.8961 4.8961 5.1343 5.1343 5.1932 5.1932 10.5037 10.5037 11.7023 11.7023 12.5614 12.5614 12.9312 12.9312 13.1283 13.1283 13.3796 13.3796 k = 0.2000 0.3464 0.5217 ( 4380 PWs) bands (ev): -32.2865 -32.2865 -13.8348 -13.8348 -13.5471 -13.5471 -13.3093 -13.3093 -13.0949 -13.0949 -12.3292 -12.3292 -11.7835 -11.7835 -11.2467 -11.2467 -10.7211 -10.7211 -10.4332 -10.4332 -2.8750 -2.8750 -0.8606 -0.8606 0.2352 0.2352 0.7512 0.7512 1.4236 1.4236 1.5859 1.5859 2.3497 2.3497 2.6501 2.6501 3.4800 3.4800 3.9364 3.9364 3.9902 3.9902 4.3991 4.3991 4.4313 4.4313 4.5099 4.5099 4.5979 4.5979 4.8781 4.8781 5.1430 5.1430 5.1905 5.1905 10.4640 10.4640 11.7477 11.7477 12.5659 12.5659 12.9304 12.9304 13.1264 13.1264 13.3449 13.3449 k = 0.1917 0.3320 0.5217 ( 4372 PWs) bands (ev): -32.2865 -32.2865 -13.8598 -13.8598 -13.5523 -13.5523 -13.3085 -13.3085 -13.0881 -13.0881 -12.2839 -12.2839 -11.7761 -11.7761 -11.2697 -11.2697 -10.7095 -10.7095 -10.4401 -10.4401 -2.9380 -2.9380 -0.7981 -0.7981 0.2190 0.2190 0.7565 0.7565 1.3889 1.3889 1.5905 1.5905 2.3179 2.3179 2.6960 2.6960 3.5367 3.5367 3.9287 3.9287 3.9715 3.9715 4.4126 4.4126 4.4197 4.4197 4.5033 4.5033 4.5942 4.5942 4.8589 4.8589 5.1513 5.1513 5.1881 5.1881 10.4240 10.4240 11.7926 11.7926 12.5710 12.5710 12.9282 12.9282 13.1233 13.1233 13.3070 13.3070 k = 0.1833 0.3175 0.5217 ( 4380 PWs) bands (ev): -32.2865 -32.2865 -13.8853 -13.8853 -13.5564 -13.5564 -13.3078 -13.3078 -13.0813 -13.0813 -12.2385 -12.2385 -11.7679 -11.7679 -11.2925 -11.2925 -10.6986 -10.6986 -10.4477 -10.4477 -3.0001 -3.0001 -0.7364 -0.7364 0.2048 0.2048 0.7627 0.7627 1.3553 1.3553 1.5911 1.5911 2.2812 2.2812 2.7472 2.7472 3.5921 3.5921 3.9237 3.9237 3.9542 3.9542 4.4024 4.4024 4.4305 4.4305 4.4967 4.4967 4.5911 4.5911 4.8385 4.8385 5.1590 5.1590 5.1861 5.1861 10.3837 10.3837 11.8368 11.8368 12.5763 12.5763 12.9246 12.9246 13.1176 13.1176 13.2678 13.2678 k = 0.1750 0.3031 0.5217 ( 4376 PWs) bands (ev): -32.2865 -32.2865 -13.9108 -13.9108 -13.5595 -13.5595 -13.3070 -13.3070 -13.0746 -13.0746 -12.1933 -12.1933 -11.7589 -11.7589 -11.3152 -11.3152 -10.6883 -10.6883 -10.4557 -10.4557 -3.0614 -3.0614 -0.6756 -0.6756 0.1925 0.1925 0.7698 0.7698 1.3230 1.3230 1.5880 1.5880 2.2400 2.2400 2.8030 2.8030 3.6455 3.6455 3.9190 3.9190 3.9406 3.9406 4.3857 4.3857 4.4466 4.4466 4.4900 4.4900 4.5882 4.5882 4.8171 4.8171 5.1661 5.1661 5.1845 5.1845 10.3432 10.3432 11.8802 11.8802 12.5814 12.5814 12.9202 12.9202 13.1067 13.1067 13.2311 13.2311 k = 0.1667 0.2887 0.5217 ( 4364 PWs) bands (ev): -32.2866 -32.2866 -13.9362 -13.9362 -13.5619 -13.5619 -13.3061 -13.3061 -13.0680 -13.0680 -12.1483 -12.1483 -11.7492 -11.7492 -11.3376 -11.3376 -10.6787 -10.6787 -10.4643 -10.4643 -3.1216 -3.1216 -0.6158 -0.6158 0.1824 0.1824 0.7778 0.7778 1.2922 1.2922 1.5816 1.5816 2.1946 2.1946 2.8627 2.8627 3.6958 3.6958 3.9099 3.9099 3.9360 3.9360 4.3677 4.3677 4.4632 4.4632 4.4833 4.4833 4.5857 4.5857 4.7948 4.7948 5.1724 5.1724 5.1835 5.1835 10.3025 10.3025 11.9227 11.9227 12.5860 12.5860 12.9148 12.9148 13.0864 13.0864 13.2020 13.2020 k = 0.1583 0.2742 0.5217 ( 4384 PWs) bands (ev): -32.2866 -32.2866 -13.9611 -13.9611 -13.5637 -13.5637 -13.3052 -13.3052 -13.0617 -13.0617 -12.1038 -12.1038 -11.7389 -11.7389 -11.3596 -11.3596 -10.6698 -10.6698 -10.4734 -10.4734 -3.1805 -3.1805 -0.5571 -0.5571 0.1744 0.1744 0.7865 0.7865 1.2630 1.2630 1.5722 1.5722 2.1458 2.1458 2.9256 2.9256 3.7413 3.7413 3.8987 3.8987 3.9392 3.9392 4.3491 4.3491 4.4741 4.4741 4.4825 4.4825 4.5832 4.5832 4.7717 4.7717 5.1776 5.1776 5.1833 5.1833 10.2616 10.2616 11.9639 11.9639 12.5894 12.5894 12.9085 12.9085 13.0546 13.0546 13.1841 13.1841 k = 0.1500 0.2598 0.5217 ( 4380 PWs) bands (ev): -32.2866 -32.2866 -13.9854 -13.9854 -13.5650 -13.5650 -13.3043 -13.3043 -13.0555 -13.0555 -12.0598 -12.0598 -11.7280 -11.7280 -11.3811 -11.3811 -10.6617 -10.6617 -10.4830 -10.4830 -3.2379 -3.2379 -0.4997 -0.4997 0.1686 0.1686 0.7960 0.7960 1.2353 1.2353 1.5603 1.5603 2.0941 2.0941 2.9910 2.9910 3.7781 3.7781 3.8922 3.8922 3.9465 3.9465 4.3304 4.3304 4.4678 4.4678 4.4991 4.4991 4.5811 4.5811 4.7480 4.7480 5.1803 5.1803 5.1854 5.1854 10.2207 10.2207 12.0038 12.0038 12.5909 12.5909 12.9012 12.9012 13.0156 13.0156 13.1750 13.1750 k = 0.1417 0.2454 0.5217 ( 4390 PWs) bands (ev): -32.2866 -32.2866 -14.0089 -14.0089 -13.5660 -13.5660 -13.3033 -13.3033 -13.0497 -13.0497 -12.0165 -12.0165 -11.7165 -11.7165 -11.4020 -11.4020 -10.6544 -10.6544 -10.4929 -10.4929 -3.2938 -3.2938 -0.4436 -0.4436 0.1651 0.1651 0.8061 0.8061 1.2092 1.2092 1.5462 1.5462 2.0401 2.0401 3.0583 3.0583 3.7985 3.7985 3.8983 3.8983 3.9567 3.9567 4.3121 4.3121 4.4601 4.4601 4.5169 4.5169 4.5793 4.5793 4.7238 4.7238 5.1810 5.1810 5.1891 5.1891 10.1799 10.1799 12.0422 12.0422 12.5892 12.5892 12.8920 12.8920 12.9759 12.9759 13.1707 13.1707 k = 0.1333 0.2309 0.5217 ( 4384 PWs) bands (ev): -32.2866 -32.2866 -14.0316 -14.0316 -13.5666 -13.5666 -13.3023 -13.3023 -13.0442 -13.0442 -11.9742 -11.9742 -11.7045 -11.7045 -11.4223 -11.4223 -10.6480 -10.6480 -10.5032 -10.5032 -3.3478 -3.3478 -0.3889 -0.3889 0.1638 0.1638 0.8166 0.8166 1.1848 1.1848 1.5302 1.5302 1.9844 1.9844 3.1269 3.1269 3.8002 3.8002 3.9190 3.9190 3.9690 3.9690 4.2948 4.2948 4.4520 4.4520 4.5348 4.5348 4.5785 4.5785 4.6992 4.6992 5.1816 5.1816 5.1927 5.1927 10.1394 10.1394 12.0791 12.0791 12.5829 12.5829 12.8793 12.8793 12.9418 12.9418 13.1691 13.1691 k = 0.1250 0.2165 0.5217 ( 4384 PWs) bands (ev): -32.2866 -32.2866 -14.0532 -14.0532 -13.5670 -13.5670 -13.3013 -13.3013 -13.0390 -13.0390 -11.9330 -11.9330 -11.6922 -11.6922 -11.4418 -11.4418 -10.6423 -10.6423 -10.5137 -10.5137 -3.3997 -3.3997 -0.3357 -0.3357 0.1647 0.1647 0.8275 0.8275 1.1622 1.1622 1.5127 1.5127 1.9276 1.9276 3.1962 3.1962 3.7915 3.7915 3.9453 3.9453 3.9833 3.9833 4.2789 4.2789 4.4434 4.4434 4.5525 4.5525 4.5790 4.5790 4.6742 4.6742 5.1825 5.1825 5.1957 5.1957 10.0993 10.0993 12.1142 12.1142 12.5703 12.5703 12.8617 12.8617 12.9183 12.9183 13.1688 13.1688 k = 0.1167 0.2021 0.5217 ( 4388 PWs) bands (ev): -32.2866 -32.2866 -14.0737 -14.0737 -13.5673 -13.5673 -13.3003 -13.3003 -13.0342 -13.0342 -11.8931 -11.8931 -11.6795 -11.6795 -11.4604 -11.4604 -10.6375 -10.6375 -10.5244 -10.5244 -3.4495 -3.4495 -0.2843 -0.2843 0.1676 0.1676 0.8385 0.8385 1.1413 1.1413 1.4939 1.4939 1.8703 1.8703 3.2657 3.2657 3.7790 3.7790 3.9698 3.9698 3.9991 3.9991 4.2652 4.2652 4.4345 4.4345 4.5688 4.5688 4.5823 4.5823 4.6489 4.6489 5.1835 5.1835 5.1981 5.1981 10.0599 10.0599 12.1475 12.1475 12.5501 12.5501 12.8428 12.8428 12.9041 12.9041 13.1694 13.1694 k = 0.1083 0.1876 0.5217 ( 4392 PWs) bands (ev): -32.2866 -32.2866 -14.0931 -14.0931 -13.5673 -13.5673 -13.2993 -13.2993 -13.0297 -13.0297 -11.8547 -11.8547 -11.6666 -11.6666 -11.4782 -11.4782 -10.6335 -10.6335 -10.5351 -10.5351 -3.4968 -3.4968 -0.2348 -0.2348 0.1726 0.1726 0.8495 0.8495 1.1222 1.1222 1.4740 1.4740 1.8132 1.8132 3.3350 3.3350 3.7652 3.7652 3.9898 3.9898 4.0157 4.0157 4.2540 4.2540 4.4250 4.4250 4.5798 4.5798 4.5924 4.5924 4.6236 4.6236 5.1848 5.1848 5.1999 5.1999 10.0214 10.0214 12.1789 12.1789 12.5223 12.5223 12.8279 12.8279 12.8949 12.8949 13.1705 13.1705 k = 0.1000 0.1732 0.5217 ( 4392 PWs) bands (ev): -32.2866 -32.2866 -14.1112 -14.1112 -13.5673 -13.5673 -13.2983 -13.2983 -13.0255 -13.0255 -11.8182 -11.8182 -11.6536 -11.6536 -11.4949 -11.4949 -10.6303 -10.6303 -10.5458 -10.5458 -3.5416 -3.5416 -0.1872 -0.1872 0.1795 0.1795 0.8602 0.8602 1.1050 1.1050 1.4533 1.4533 1.7569 1.7569 3.4034 3.4034 3.7514 3.7514 4.0045 4.0045 4.0326 4.0326 4.2454 4.2454 4.4151 4.4151 4.5860 4.5860 4.5969 4.5969 4.6104 4.6104 5.1861 5.1861 5.2011 5.2011 9.9841 9.9841 12.2082 12.2082 12.4883 12.4883 12.8187 12.8187 12.8881 12.8881 13.1718 13.1718 k = 0.0917 0.1588 0.5217 ( 4396 PWs) bands (ev): -32.2866 -32.2866 -14.1281 -14.1281 -13.5671 -13.5671 -13.2973 -13.2973 -13.0218 -13.0218 -11.7837 -11.7837 -11.6405 -11.6405 -11.5105 -11.5105 -10.6279 -10.6279 -10.5563 -10.5563 -3.5835 -3.5835 -0.1419 -0.1419 0.1880 0.1880 0.8705 0.8705 1.0899 1.0899 1.4319 1.4319 1.7019 1.7019 3.4705 3.4705 3.7380 3.7380 4.0133 4.0133 4.0498 4.0498 4.2392 4.2392 4.4046 4.4046 4.5681 4.5681 4.5987 4.5987 4.6256 4.6256 5.1875 5.1875 5.2018 5.2018 9.9482 9.9482 12.2355 12.2355 12.4504 12.4504 12.8147 12.8147 12.8826 12.8826 13.1734 13.1734 k = 0.0833 0.1443 0.5217 ( 4408 PWs) bands (ev): -32.2867 -32.2867 -14.1436 -14.1436 -13.5670 -13.5670 -13.2964 -13.2964 -13.0184 -13.0184 -11.7516 -11.7516 -11.6275 -11.6275 -11.5250 -11.5250 -10.6262 -10.6262 -10.5665 -10.5665 -3.6225 -3.6225 -0.0990 -0.0990 0.1980 0.1980 0.8802 0.8802 1.0767 1.0767 1.4100 1.4100 1.6490 1.6490 3.5355 3.5355 3.7258 3.7258 4.0166 4.0166 4.0676 4.0676 4.2348 4.2348 4.3937 4.3937 4.5411 4.5411 4.6103 4.6103 4.6415 4.6415 5.1887 5.1887 5.2020 5.2020 9.9141 9.9141 12.2605 12.2605 12.4108 12.4108 12.8142 12.8142 12.8780 12.8780 13.1750 13.1750 k = 0.0750 0.1299 0.5217 ( 4400 PWs) bands (ev): -32.2867 -32.2867 -14.1577 -14.1577 -13.5667 -13.5667 -13.2955 -13.2955 -13.0153 -13.0153 -11.7222 -11.7222 -11.6146 -11.6146 -11.5380 -11.5380 -10.6251 -10.6251 -10.5763 -10.5763 -3.6583 -3.6583 -0.0588 -0.0588 0.2091 0.2091 0.8891 0.8891 1.0657 1.0657 1.3877 1.3877 1.5990 1.5990 3.5968 3.5968 3.7162 3.7162 4.0157 4.0157 4.0858 4.0858 4.2315 4.2315 4.3821 4.3821 4.5131 4.5131 4.6245 4.6245 4.6567 4.6567 5.1898 5.1898 5.2019 5.2019 9.8820 9.8820 12.2833 12.2833 12.3716 12.3716 12.8160 12.8160 12.8744 12.8744 13.1767 13.1767 k = 0.0667 0.1155 0.5217 ( 4404 PWs) bands (ev): -32.2867 -32.2867 -14.1705 -14.1705 -13.5664 -13.5664 -13.2947 -13.2947 -13.0126 -13.0126 -11.6958 -11.6958 -11.6022 -11.6022 -11.5495 -11.5495 -10.6247 -10.6247 -10.5855 -10.5855 -3.6908 -3.6908 -0.0216 -0.0216 0.2211 0.2211 0.8969 0.8969 1.0568 1.0568 1.3652 1.3652 1.5525 1.5525 3.6479 3.6479 3.7154 3.7154 4.0118 4.0118 4.1044 4.1044 4.2286 4.2286 4.3700 4.3700 4.4841 4.4841 4.6402 4.6402 4.6709 4.6709 5.1906 5.1906 5.2014 5.2014 9.8523 9.8523 12.3038 12.3038 12.3340 12.3340 12.8190 12.8190 12.8715 12.8715 13.1784 13.1784 k = 0.0583 0.1010 0.5217 ( 4400 PWs) bands (ev): -32.2867 -32.2867 -14.1818 -14.1818 -13.5662 -13.5662 -13.2939 -13.2939 -13.0102 -13.0102 -11.6727 -11.6727 -11.5911 -11.5911 -11.5586 -11.5586 -10.6247 -10.6247 -10.5939 -10.5939 -3.7199 -3.7199 0.0123 0.0123 0.2334 0.2334 0.9036 0.9036 1.0499 1.0499 1.3426 1.3426 1.5103 1.5103 3.6685 3.6685 3.7438 3.7438 4.0064 4.0064 4.1230 4.1230 4.2260 4.2260 4.3574 4.3574 4.4543 4.4543 4.6568 4.6568 4.6841 4.6841 5.1911 5.1911 5.2008 5.2008 9.8252 9.8252 12.2985 12.2985 12.3224 12.3224 12.8224 12.8224 12.8695 12.8695 13.1800 13.1800 k = 0.0500 0.0866 0.5217 ( 4408 PWs) bands (ev): -32.2867 -32.2867 -14.1916 -14.1916 -13.5659 -13.5659 -13.2932 -13.2932 -13.0081 -13.0081 -11.6530 -11.6530 -11.5842 -11.5842 -11.5625 -11.5625 -10.6253 -10.6253 -10.6013 -10.6013 -3.7454 -3.7454 0.0427 0.0427 0.2458 0.2458 0.9091 0.9091 1.0451 1.0451 1.3201 1.3201 1.4733 1.4733 3.6665 3.6665 3.7926 3.7926 4.0002 4.0002 4.1414 4.1414 4.2238 4.2238 4.3441 4.3441 4.4238 4.4238 4.6733 4.6733 4.6959 4.6959 5.1913 5.1913 5.2001 5.2001 9.8011 9.8011 12.2671 12.2671 12.3380 12.3380 12.8256 12.8256 12.8684 12.8684 13.1814 13.1814 k = 0.0417 0.0722 0.5217 ( 4408 PWs) bands (ev): -32.2867 -32.2867 -14.2000 -14.2000 -13.5657 -13.5657 -13.2926 -13.2926 -13.0064 -13.0064 -11.6369 -11.6369 -11.5855 -11.5855 -11.5575 -11.5575 -10.6263 -10.6263 -10.6076 -10.6076 -3.7672 -3.7672 0.0692 0.0692 0.2576 0.2576 0.9135 0.9135 1.0420 1.0420 1.2983 1.2983 1.4420 1.4420 3.6605 3.6605 3.8431 3.8431 3.9941 3.9941 4.1595 4.1595 4.2224 4.2224 4.3303 4.3303 4.3928 4.3928 4.6889 4.6889 4.7062 4.7062 5.1911 5.1911 5.1994 5.1994 9.7802 9.7802 12.2395 12.2395 12.3514 12.3514 12.8282 12.8282 12.8680 12.8680 13.1827 13.1827 k = 0.0333 0.0577 0.5217 ( 4408 PWs) bands (ev): -32.2867 -32.2867 -14.2068 -14.2068 -13.5655 -13.5655 -13.2921 -13.2921 -13.0050 -13.0050 -11.6241 -11.6241 -11.5903 -11.5903 -11.5489 -11.5489 -10.6277 -10.6277 -10.6125 -10.6125 -3.7852 -3.7852 0.0914 0.0914 0.2682 0.2682 0.9168 0.9168 1.0402 1.0402 1.2779 1.2779 1.4166 1.4166 3.6544 3.6544 3.8902 3.8902 3.9886 3.9886 4.1769 4.1769 4.2226 4.2226 4.3158 4.3158 4.3617 4.3617 4.7028 4.7028 4.7150 4.7150 5.1907 5.1907 5.1988 5.1988 9.7628 9.7628 12.2164 12.2164 12.3624 12.3624 12.8301 12.8301 12.8684 12.8684 13.1838 13.1838 k = 0.0250 0.0433 0.5217 ( 4412 PWs) bands (ev): -32.2867 -32.2867 -14.2122 -14.2122 -13.5653 -13.5653 -13.2917 -13.2917 -13.0039 -13.0039 -11.6145 -11.6145 -11.5947 -11.5947 -11.5407 -11.5407 -10.6294 -10.6294 -10.6160 -10.6160 -3.7993 -3.7993 0.1091 0.1091 0.2773 0.2773 0.9193 0.9193 1.0395 1.0395 1.2602 1.2602 1.3972 1.3972 3.6493 3.6493 3.9318 3.9318 3.9840 3.9840 4.1931 4.1931 4.2256 4.2256 4.3006 4.3006 4.3313 4.3313 4.7143 4.7143 4.7220 4.7220 5.1902 5.1902 5.1983 5.1983 9.7490 9.7490 12.1981 12.1981 12.3710 12.3710 12.8313 12.8313 12.8691 12.8691 13.1847 13.1847 k = 0.0167 0.0289 0.5217 ( 4412 PWs) bands (ev): -32.2867 -32.2867 -14.2160 -14.2160 -13.5652 -13.5652 -13.2915 -13.2915 -13.0031 -13.0031 -11.6079 -11.6079 -11.5982 -11.5982 -11.5343 -11.5343 -10.6311 -10.6311 -10.6182 -10.6182 -3.8094 -3.8094 0.1220 0.1220 0.2842 0.2842 0.9210 0.9210 1.0394 1.0394 1.2463 1.2463 1.3835 1.3835 3.6456 3.6456 3.9653 3.9653 3.9807 3.9807 4.2073 4.2073 4.2330 4.2330 4.2845 4.2845 4.3031 4.3031 4.7228 4.7228 4.7273 4.7273 5.1897 5.1897 5.1979 5.1979 9.7390 9.7390 12.1849 12.1849 12.3771 12.3771 12.8320 12.8320 12.8699 12.8699 13.1853 13.1853 k = 0.0083 0.0144 0.5217 ( 4408 PWs) bands (ev): -32.2867 -32.2867 -14.2183 -14.2183 -13.5651 -13.5651 -13.2913 -13.2913 -13.0027 -13.0027 -11.6039 -11.6039 -11.6003 -11.6003 -11.5302 -11.5302 -10.6323 -10.6323 -10.6193 -10.6193 -3.8155 -3.8155 0.1298 0.1298 0.2885 0.2885 0.9220 0.9220 1.0394 1.0394 1.2375 1.2375 1.3754 1.3754 3.6432 3.6432 3.9782 3.9782 3.9879 3.9879 4.2197 4.2197 4.2450 4.2450 4.2678 4.2678 4.2796 4.2796 4.7277 4.7277 4.7308 4.7308 5.1894 5.1894 5.1976 5.1976 9.7330 9.7330 12.1769 12.1769 12.3808 12.3808 12.8324 12.8324 12.8705 12.8705 13.1857 13.1857 k = 0.0000 0.0000 0.5217 ( 4400 PWs) bands (ev): -32.2867 -32.2867 -14.2191 -14.2191 -13.5650 -13.5650 -13.2912 -13.2912 -13.0025 -13.0025 -11.6025 -11.6025 -11.6011 -11.6011 -11.5288 -11.5288 -10.6327 -10.6327 -10.6197 -10.6197 -3.8175 -3.8175 0.1324 0.1324 0.2900 0.2900 0.9224 0.9224 1.0395 1.0395 1.2344 1.2344 1.3728 1.3728 3.6424 3.6424 3.9776 3.9776 3.9957 3.9957 4.2270 4.2270 4.2580 4.2580 4.2583 4.2583 4.2631 4.2631 4.7292 4.7292 4.7322 4.7322 5.1893 5.1893 5.1975 5.1975 9.7309 9.7309 12.1742 12.1742 12.3820 12.3820 12.8325 12.8325 12.8708 12.8708 13.1859 13.1859 k = 0.5000 0.2887 0.5217 ( 4380 PWs) bands (ev): -32.2865 -32.2865 -13.6932 -13.6932 -13.3983 -13.3983 -13.3375 -13.3375 -13.2951 -13.2951 -12.4397 -12.4397 -11.8906 -11.8906 -11.0837 -11.0837 -10.7985 -10.7985 -10.4210 -10.4210 -2.5110 -2.5110 -1.1843 -1.1843 0.2015 0.2015 0.9377 0.9377 1.5624 1.5624 1.7272 1.7272 1.7513 1.7513 3.0886 3.0886 3.2529 3.2529 3.8653 3.8653 4.0479 4.0479 4.2965 4.2965 4.3465 4.3465 4.6354 4.6354 4.6570 4.6570 4.9681 4.9681 5.0928 5.0928 5.1435 5.1435 10.7095 10.7095 11.4822 11.4822 12.8168 12.8168 12.8601 12.8601 13.1491 13.1491 13.5588 13.5588 k = 0.5000 0.2887 0.5054 ( 4388 PWs) bands (ev): -32.2865 -32.2865 -13.6934 -13.6934 -13.4010 -13.4010 -13.3386 -13.3386 -13.2908 -13.2908 -12.4405 -12.4405 -11.8902 -11.8902 -11.0839 -11.0839 -10.7980 -10.7980 -10.4212 -10.4212 -2.5111 -2.5111 -1.1842 -1.1842 0.2021 0.2021 0.9377 0.9377 1.5623 1.5623 1.7254 1.7254 1.7525 1.7525 3.0885 3.0885 3.2530 3.2530 3.8656 3.8656 4.0464 4.0464 4.2973 4.2973 4.3460 4.3460 4.6349 4.6349 4.6588 4.6588 4.9680 4.9680 5.0844 5.0844 5.1511 5.1511 10.7098 10.7098 11.4808 11.4808 12.8168 12.8168 12.8609 12.8609 13.1483 13.1483 13.5596 13.5596 k = 0.5000 0.2887 0.4891 ( 4388 PWs) bands (ev): -32.2865 -32.2865 -13.6940 -13.6940 -13.4083 -13.4083 -13.3408 -13.3408 -13.2796 -13.2796 -12.4427 -12.4427 -11.8892 -11.8892 -11.0844 -11.0844 -10.7963 -10.7963 -10.4219 -10.4219 -2.5116 -2.5116 -1.1839 -1.1839 0.2038 0.2038 0.9377 0.9377 1.5620 1.5620 1.7205 1.7205 1.7557 1.7557 3.0882 3.0882 3.2534 3.2534 3.8665 3.8665 4.0421 4.0421 4.2997 4.2997 4.3447 4.3447 4.6334 4.6334 4.6640 4.6640 4.9677 4.9677 5.0666 5.0666 5.1667 5.1667 10.7106 10.7106 11.4767 11.4767 12.8167 12.8167 12.8632 12.8632 13.1458 13.1458 13.5620 13.5620 k = 0.5000 0.2887 0.4728 ( 4384 PWs) bands (ev): -32.2865 -32.2865 -13.6950 -13.6950 -13.4187 -13.4187 -13.3426 -13.3426 -13.2646 -13.2646 -12.4463 -12.4463 -11.8875 -11.8875 -11.0854 -11.0854 -10.7934 -10.7934 -10.4230 -10.4230 -2.5123 -2.5123 -1.1833 -1.1833 0.2067 0.2067 0.9376 0.9376 1.5615 1.5615 1.7136 1.7136 1.7599 1.7599 3.0878 3.0878 3.2540 3.2540 3.8680 3.8680 4.0350 4.0350 4.3035 4.3035 4.3428 4.3428 4.6309 4.6309 4.6721 4.6721 4.9673 4.9673 5.0456 5.0456 5.1840 5.1840 10.7120 10.7120 11.4699 11.4699 12.8166 12.8166 12.8670 12.8670 13.1418 13.1418 13.5657 13.5657 k = 0.5000 0.2887 0.4565 ( 4386 PWs) bands (ev): -32.2865 -32.2865 -13.6965 -13.6965 -13.4305 -13.4305 -13.3439 -13.3439 -13.2474 -13.2474 -12.4514 -12.4514 -11.8852 -11.8852 -11.0868 -11.0868 -10.7895 -10.7895 -10.4246 -10.4246 -2.5134 -2.5134 -1.1826 -1.1826 0.2108 0.2108 0.9376 0.9376 1.5607 1.5607 1.7052 1.7052 1.7645 1.7645 3.0873 3.0873 3.2547 3.2547 3.8700 3.8700 4.0253 4.0253 4.3089 4.3089 4.3407 4.3407 4.6275 4.6275 4.6825 4.6825 4.9670 4.9670 5.0235 5.0235 5.2012 5.2012 10.7140 10.7140 11.4606 11.4606 12.8161 12.8161 12.8724 12.8724 13.1362 13.1362 13.5701 13.5701 k = 0.5000 0.2887 0.4402 ( 4386 PWs) bands (ev): -32.2865 -32.2865 -13.6985 -13.6985 -13.4429 -13.4429 -13.3448 -13.3448 -13.2289 -13.2289 -12.4578 -12.4578 -11.8822 -11.8822 -11.0885 -11.0885 -10.7846 -10.7846 -10.4266 -10.4266 -2.5147 -2.5147 -1.1816 -1.1816 0.2159 0.2159 0.9375 0.9375 1.5596 1.5596 1.6955 1.6955 1.7695 1.7695 3.0865 3.0865 3.2557 3.2557 3.8723 3.8723 4.0135 4.0135 4.3156 4.3156 4.3388 4.3388 4.6231 4.6231 4.6943 4.6943 4.9668 4.9668 5.0010 5.0010 5.2175 5.2175 10.7165 10.7165 11.4491 11.4491 12.8153 12.8153 12.8790 12.8790 13.1291 13.1291 13.5744 13.5744 k = 0.5000 0.2887 0.4239 ( 4394 PWs) bands (ev): -32.2865 -32.2865 -13.7011 -13.7011 -13.4550 -13.4550 -13.3455 -13.3455 -13.2096 -13.2096 -12.4655 -12.4655 -11.8787 -11.8787 -11.0905 -11.0905 -10.7788 -10.7788 -10.4290 -10.4290 -2.5162 -2.5162 -1.1805 -1.1805 0.2221 0.2221 0.9375 0.9375 1.5582 1.5582 1.6845 1.6845 1.7749 1.7749 3.0856 3.0856 3.2569 3.2569 3.8749 3.8749 3.9998 3.9998 4.3235 4.3235 4.3374 4.3374 4.6179 4.6179 4.7068 4.7068 4.9668 4.9668 4.9788 4.9788 5.2327 5.2327 10.7195 10.7195 11.4355 11.4355 12.8140 12.8140 12.8866 12.8866 13.1206 13.1206 13.5774 13.5774 k = 0.5000 0.2887 0.4076 ( 4384 PWs) bands (ev): -32.2865 -32.2865 -13.7043 -13.7043 -13.4664 -13.4664 -13.3460 -13.3460 -13.1898 -13.1898 -12.4743 -12.4743 -11.8745 -11.8745 -11.0929 -11.0929 -10.7720 -10.7720 -10.4318 -10.4318 -2.5181 -2.5181 -1.1791 -1.1791 0.2293 0.2293 0.9375 0.9375 1.5564 1.5564 1.6725 1.6725 1.7807 1.7807 3.0845 3.0845 3.2582 3.2582 3.8776 3.8776 3.9847 3.9847 4.3315 4.3315 4.3376 4.3376 4.6117 4.6117 4.7191 4.7191 4.9558 4.9558 4.9687 4.9687 5.2467 5.2467 10.7231 10.7231 11.4201 11.4201 12.8125 12.8125 12.8947 12.8947 13.1107 13.1107 13.5786 13.5786 k = 0.5000 0.2887 0.3913 ( 4390 PWs) bands (ev): -32.2865 -32.2865 -13.7082 -13.7082 -13.4769 -13.4769 -13.3463 -13.3463 -13.1697 -13.1697 -12.4844 -12.4844 -11.8699 -11.8699 -11.0956 -11.0956 -10.7644 -10.7644 -10.4350 -10.4350 -2.5201 -2.5201 -1.1776 -1.1776 0.2374 0.2374 0.9376 0.9376 1.5541 1.5541 1.6596 1.6596 1.7870 1.7870 3.0832 3.0832 3.2597 3.2597 3.8803 3.8803 3.9685 3.9685 4.3344 4.3344 4.3448 4.3448 4.6046 4.6046 4.7305 4.7305 4.9348 4.9348 4.9705 4.9705 5.2593 5.2593 10.7272 10.7272 11.4032 11.4032 12.8107 12.8107 12.9030 12.9030 13.0994 13.0994 13.5780 13.5780 k = 0.5000 0.2887 0.3750 ( 4386 PWs) bands (ev): -32.2865 -32.2865 -13.7128 -13.7128 -13.4863 -13.4863 -13.3465 -13.3465 -13.1494 -13.1494 -12.4954 -12.4954 -11.8648 -11.8648 -11.0987 -11.0987 -10.7562 -10.7562 -10.4385 -10.4385 -2.5224 -2.5224 -1.1759 -1.1759 0.2464 0.2464 0.9378 0.9378 1.5511 1.5511 1.6458 1.6458 1.7937 1.7937 3.0817 3.0817 3.2613 3.2613 3.8830 3.8830 3.9518 3.9518 4.3352 4.3352 4.3557 4.3557 4.5965 4.5965 4.7402 4.7402 4.9146 4.9146 4.9738 4.9738 5.2706 5.2706 10.7318 10.7318 11.3852 11.3852 12.8086 12.8086 12.9108 12.9108 13.0870 13.0870 13.5765 13.5765 k = 0.5000 0.2887 0.3587 ( 4386 PWs) bands (ev): -32.2865 -32.2865 -13.7182 -13.7182 -13.4945 -13.4945 -13.3465 -13.3465 -13.1292 -13.1292 -12.5073 -12.5073 -11.8592 -11.8592 -11.1019 -11.1019 -10.7473 -10.7473 -10.4424 -10.4424 -2.5248 -2.5248 -1.1741 -1.1741 0.2562 0.2562 0.9382 0.9382 1.5475 1.5475 1.6314 1.6314 1.8009 1.8009 3.0799 3.0799 3.2629 3.2629 3.8855 3.8855 3.9348 3.9348 4.3364 4.3364 4.3676 4.3676 4.5874 4.5874 4.7477 4.7477 4.8960 4.8960 4.9788 4.9788 5.2803 5.2803 10.7368 10.7368 11.3661 11.3661 12.8063 12.8063 12.9177 12.9177 13.0735 13.0735 13.5749 13.5749 k = 0.5000 0.2887 0.3424 ( 4386 PWs) bands (ev): -32.2865 -32.2865 -13.7243 -13.7243 -13.5015 -13.5015 -13.3464 -13.3464 -13.1091 -13.1091 -12.5201 -12.5201 -11.8533 -11.8533 -11.1055 -11.1055 -10.7378 -10.7378 -10.4465 -10.4465 -2.5274 -2.5274 -1.1721 -1.1721 0.2667 0.2667 0.9387 0.9387 1.5429 1.5429 1.6167 1.6167 1.8086 1.8086 3.0778 3.0778 3.2646 3.2646 3.8876 3.8876 3.9182 3.9182 4.3382 4.3382 4.3800 4.3800 4.5771 4.5771 4.7526 4.7526 4.8793 4.8793 4.9856 4.9856 5.2886 5.2886 10.7423 10.7423 11.3465 11.3465 12.8039 12.8039 12.9232 12.9232 13.0590 13.0590 13.5741 13.5741 k = 0.5000 0.2887 0.3261 ( 4390 PWs) bands (ev): -32.2865 -32.2865 -13.7311 -13.7311 -13.5074 -13.5074 -13.3460 -13.3460 -13.0891 -13.0891 -12.5336 -12.5336 -11.8470 -11.8470 -11.1092 -11.1092 -10.7280 -10.7280 -10.4509 -10.4509 -2.5301 -2.5301 -1.1701 -1.1701 0.2779 0.2779 0.9394 0.9394 1.5373 1.5373 1.6019 1.6019 1.8168 1.8168 3.0754 3.0754 3.2664 3.2664 3.8886 3.8886 3.9029 3.9029 4.3407 4.3407 4.3926 4.3926 4.5655 4.5655 4.7546 4.7546 4.8649 4.8649 4.9941 4.9941 5.2955 5.2955 10.7481 10.7481 11.3264 11.3264 12.8013 12.8013 12.9266 12.9266 13.0438 13.0438 13.5749 13.5749 k = 0.5000 0.2887 0.3098 ( 4388 PWs) bands (ev): -32.2865 -32.2865 -13.7384 -13.7384 -13.5120 -13.5120 -13.3454 -13.3454 -13.0695 -13.0695 -12.5476 -12.5476 -11.8404 -11.8404 -11.1132 -11.1132 -10.7179 -10.7179 -10.4555 -10.4555 -2.5329 -2.5329 -1.1679 -1.1679 0.2896 0.2896 0.9403 0.9403 1.5305 1.5305 1.5873 1.5873 1.8254 1.8254 3.0726 3.0726 3.2681 3.2681 3.8821 3.8821 3.8956 3.8956 4.3438 4.3438 4.4052 4.4052 4.5527 4.5527 4.7539 4.7539 4.8531 4.8531 5.0042 5.0042 5.3009 5.3009 10.7543 10.7543 11.3061 11.3061 12.7987 12.7987 12.9275 12.9275 13.0283 13.0283 13.5778 13.5778 k = 0.5000 0.2887 0.2935 ( 4396 PWs) bands (ev): -32.2866 -32.2866 -13.7462 -13.7462 -13.5157 -13.5157 -13.3445 -13.3445 -13.0503 -13.0503 -12.5622 -12.5622 -11.8337 -11.8337 -11.1173 -11.1173 -10.7075 -10.7075 -10.4603 -10.4603 -2.5359 -2.5359 -1.1656 -1.1656 0.3018 0.3018 0.9414 0.9414 1.5221 1.5221 1.5735 1.5735 1.8344 1.8344 3.0693 3.0693 3.2699 3.2699 3.8685 3.8685 3.8964 3.8964 4.3476 4.3476 4.4171 4.4171 4.5387 4.5387 4.7507 4.7507 4.8442 4.8442 5.0154 5.0154 5.3050 5.3050 10.7608 10.7608 11.2859 11.2859 12.7961 12.7961 12.9253 12.9253 13.0129 13.0129 13.5835 13.5835 k = 0.5000 0.2887 0.2772 ( 4398 PWs) bands (ev): -32.2866 -32.2866 -13.7543 -13.7543 -13.5186 -13.5186 -13.3433 -13.3433 -13.0315 -13.0315 -12.5770 -12.5770 -11.8268 -11.8268 -11.1215 -11.1215 -10.6970 -10.6970 -10.4652 -10.4652 -2.5388 -2.5388 -1.1633 -1.1633 0.3142 0.3142 0.9428 0.9428 1.5120 1.5120 1.5606 1.5606 1.8438 1.8438 3.0656 3.0656 3.2716 3.2716 3.8548 3.8548 3.8983 3.8983 4.3519 4.3519 4.4277 4.4277 4.5243 4.5243 4.7452 4.7452 4.8382 4.8382 5.0275 5.0275 5.3078 5.3078 10.7675 10.7675 11.2659 11.2659 12.7934 12.7934 12.9196 12.9196 12.9981 12.9981 13.5923 13.5923 k = 0.5000 0.2887 0.2609 ( 4402 PWs) bands (ev): -32.2866 -32.2866 -13.7626 -13.7626 -13.5206 -13.5206 -13.3418 -13.3418 -13.0132 -13.0132 -12.5921 -12.5921 -11.8198 -11.8198 -11.1258 -11.1258 -10.6866 -10.6866 -10.4702 -10.4702 -2.5418 -2.5418 -1.1610 -1.1610 0.3269 0.3269 0.9444 0.9444 1.5003 1.5003 1.5488 1.5488 1.8535 1.8535 3.0614 3.0614 3.2733 3.2733 3.8419 3.8419 3.9007 3.9007 4.3567 4.3567 4.4352 4.4352 4.5110 4.5110 4.7378 4.7378 4.8351 4.8351 5.0401 5.0401 5.3093 5.3093 10.7744 10.7744 11.2463 11.2463 12.7907 12.7907 12.9102 12.9102 12.9844 12.9844 13.6043 13.6043 k = 0.5000 0.2887 0.2446 ( 4398 PWs) bands (ev): -32.2866 -32.2866 -13.7709 -13.7709 -13.5221 -13.5221 -13.3399 -13.3399 -12.9956 -12.9956 -12.6073 -12.6073 -11.8128 -11.8128 -11.1301 -11.1301 -10.6762 -10.6762 -10.4753 -10.4753 -2.5448 -2.5448 -1.1586 -1.1586 0.3397 0.3397 0.9463 0.9463 1.4873 1.4873 1.5380 1.5380 1.8634 1.8634 3.0566 3.0566 3.2749 3.2749 3.8302 3.8302 3.9036 3.9036 4.3621 4.3621 4.4362 4.4362 4.5021 4.5021 4.7288 4.7288 4.8347 4.8347 5.0528 5.0528 5.3098 5.3098 10.7814 10.7814 11.2272 11.2272 12.7879 12.7879 12.8973 12.8973 12.9722 12.9722 13.6198 13.6198 k = 0.5000 0.2887 0.2283 ( 4404 PWs) bands (ev): -32.2866 -32.2866 -13.7792 -13.7792 -13.5231 -13.5231 -13.3378 -13.3378 -12.9787 -12.9787 -12.6225 -12.6225 -11.8058 -11.8058 -11.1344 -11.1344 -10.6660 -10.6660 -10.4804 -10.4804 -2.5477 -2.5477 -1.1563 -1.1563 0.3525 0.3525 0.9484 0.9484 1.4735 1.4735 1.5279 1.5279 1.8735 1.8735 3.0513 3.0513 3.2764 3.2764 3.8196 3.8196 3.9072 3.9072 4.3679 4.3679 4.4277 4.4277 4.5010 4.5010 4.7185 4.7185 4.8367 4.8367 5.0654 5.0654 5.3092 5.3092 10.7885 10.7885 11.2089 11.2089 12.7851 12.7851 12.8817 12.8817 12.9612 12.9612 13.6385 13.6385 k = 0.5000 0.2887 0.2120 ( 4396 PWs) bands (ev): -32.2866 -32.2866 -13.7872 -13.7872 -13.5237 -13.5237 -13.3353 -13.3353 -12.9625 -12.9625 -12.6375 -12.6375 -11.7990 -11.7990 -11.1387 -11.1387 -10.6561 -10.6561 -10.4854 -10.4854 -2.5506 -2.5506 -1.1539 -1.1539 0.3652 0.3652 0.9507 0.9507 1.4594 1.4594 1.5181 1.5181 1.8837 1.8837 3.0455 3.0455 3.2779 3.2779 3.8103 3.8103 3.9115 3.9115 4.3742 4.3742 4.4113 4.4113 4.5063 4.5063 4.7071 4.7071 4.8406 4.8406 5.0777 5.0777 5.3078 5.3078 10.7956 10.7956 11.1914 11.1914 12.7820 12.7820 12.8644 12.8644 12.9510 12.9510 13.6604 13.6604 k = 0.5000 0.2887 0.1957 ( 4390 PWs) bands (ev): -32.2866 -32.2866 -13.7950 -13.7950 -13.5240 -13.5240 -13.3325 -13.3325 -12.9471 -12.9471 -12.6523 -12.6523 -11.7923 -11.7923 -11.1428 -11.1428 -10.6465 -10.6465 -10.4904 -10.4904 -2.5533 -2.5533 -1.1517 -1.1517 0.3776 0.3776 0.9533 0.9533 1.4454 1.4454 1.5087 1.5087 1.8938 1.8938 3.0393 3.0393 3.2793 3.2793 3.8021 3.8021 3.9169 3.9169 4.3807 4.3807 4.3905 4.3905 4.5145 4.5145 4.6948 4.6948 4.8460 4.8460 5.0894 5.0894 5.3056 5.3056 10.8025 10.8025 11.1748 11.1748 12.7784 12.7784 12.8466 12.8466 12.9414 12.9414 13.6851 13.6851 k = 0.5000 0.2887 0.1793 ( 4392 PWs) bands (ev): -32.2866 -32.2866 -13.8025 -13.8025 -13.5242 -13.5242 -13.3295 -13.3295 -12.9326 -12.9326 -12.6667 -12.6667 -11.7859 -11.7859 -11.1469 -11.1469 -10.6374 -10.6374 -10.4952 -10.4952 -2.5560 -2.5560 -1.1495 -1.1495 0.3896 0.3896 0.9560 0.9560 1.4317 1.4317 1.4993 1.4993 1.9038 1.9038 3.0327 3.0327 3.2807 3.2807 3.7951 3.7951 3.9234 3.9234 4.3668 4.3668 4.3884 4.3884 4.5238 4.5238 4.6819 4.6819 4.8526 4.8526 5.1004 5.1004 5.3028 5.3028 10.8093 10.8093 11.1592 11.1592 12.7740 12.7740 12.8294 12.8294 12.9323 12.9323 13.7124 13.7124 k = 0.5000 0.2887 0.1630 ( 4396 PWs) bands (ev): -32.2866 -32.2866 -13.8094 -13.8094 -13.5242 -13.5242 -13.3263 -13.3263 -12.9191 -12.9191 -12.6805 -12.6805 -11.7798 -11.7798 -11.1508 -11.1508 -10.6287 -10.6287 -10.4998 -10.4998 -2.5585 -2.5585 -1.1474 -1.1474 0.4011 0.4011 0.9587 0.9587 1.4188 1.4188 1.4901 1.4901 1.9136 1.9136 3.0258 3.0258 3.2819 3.2819 3.7891 3.7891 3.9311 3.9311 4.3422 4.3422 4.3960 4.3960 4.5332 4.5332 4.6685 4.6685 4.8599 4.8599 5.1107 5.1107 5.2995 5.2995 10.8158 10.8158 11.1448 11.1448 12.7678 12.7678 12.8143 12.8143 12.9235 12.9235 13.7420 13.7420 k = 0.5000 0.2887 0.1467 ( 4408 PWs) bands (ev): -32.2866 -32.2866 -13.8159 -13.8159 -13.5242 -13.5242 -13.3230 -13.3230 -12.9066 -12.9066 -12.6937 -12.6937 -11.7740 -11.7740 -11.1545 -11.1545 -10.6206 -10.6206 -10.5042 -10.5042 -2.5609 -2.5609 -1.1454 -1.1454 0.4120 0.4120 0.9616 0.9616 1.4066 1.4066 1.4812 1.4812 1.9230 1.9230 3.0188 3.0188 3.2831 3.2831 3.7841 3.7841 3.9402 3.9402 4.3168 4.3168 4.4040 4.4040 4.5425 4.5425 4.6549 4.6549 4.8675 4.8675 5.1202 5.1202 5.2960 5.2960 10.8220 10.8220 11.1315 11.1315 12.7589 12.7589 12.8026 12.8026 12.9152 12.9152 13.7735 13.7735 k = 0.5000 0.2887 0.1304 ( 4396 PWs) bands (ev): -32.2866 -32.2866 -13.8218 -13.8218 -13.5241 -13.5241 -13.3196 -13.3196 -12.8951 -12.8951 -12.7060 -12.7060 -11.7687 -11.7687 -11.1579 -11.1579 -10.6132 -10.6132 -10.5083 -10.5083 -2.5630 -2.5630 -1.1436 -1.1436 0.4221 0.4221 0.9644 0.9644 1.3955 1.3955 1.4725 1.4725 1.9319 1.9319 3.0118 3.0118 3.2842 3.2842 3.7799 3.7799 3.9507 3.9507 4.2909 4.2909 4.4123 4.4123 4.5513 4.5513 4.6411 4.6411 4.8752 4.8752 5.1287 5.1287 5.2923 5.2923 10.8278 10.8278 11.1195 11.1195 12.7475 12.7475 12.7948 12.7948 12.9075 12.9075 13.8068 13.8068 k = 0.5000 0.2887 0.1141 ( 4378 PWs) bands (ev): -32.2866 -32.2866 -13.8271 -13.8271 -13.5240 -13.5240 -13.3163 -13.3163 -12.8847 -12.8847 -12.7174 -12.7174 -11.7639 -11.7639 -11.1610 -11.1610 -10.6065 -10.6065 -10.5121 -10.5121 -2.5650 -2.5650 -1.1420 -1.1420 0.4313 0.4313 0.9672 0.9672 1.3854 1.3854 1.4644 1.4644 1.9401 1.9401 3.0050 3.0050 3.2852 3.2852 3.7766 3.7766 3.9627 3.9627 4.2650 4.2650 4.4210 4.4210 4.5594 4.5594 4.6274 4.6274 4.8825 4.8825 5.1363 5.1363 5.2887 5.2887 10.8331 10.8331 11.1088 11.1088 12.7347 12.7347 12.7899 12.7899 12.9005 12.9005 13.8414 13.8415 k = 0.5000 0.2887 0.0978 ( 4378 PWs) bands (ev): -32.2866 -32.2866 -13.8318 -13.8318 -13.5239 -13.5239 -13.3131 -13.3131 -12.8755 -12.8755 -12.7278 -12.7278 -11.7595 -11.7595 -11.1637 -11.1637 -10.6004 -10.6004 -10.5156 -10.5156 -2.5667 -2.5667 -1.1405 -1.1405 0.4396 0.4396 0.9698 0.9698 1.3766 1.3766 1.4568 1.4568 1.9476 1.9476 2.9986 2.9986 3.2861 3.2861 3.7739 3.7739 3.9761 3.9761 4.2391 4.2391 4.4298 4.4298 4.5667 4.5667 4.6140 4.6140 4.8893 4.8893 5.1430 5.1430 5.2851 5.2851 10.8379 10.8379 11.0994 11.0994 12.7221 12.7221 12.7867 12.7867 12.8942 12.8942 13.8772 13.8772 k = 0.5000 0.2887 0.0815 ( 4376 PWs) bands (ev): -32.2866 -32.2866 -13.8358 -13.8358 -13.5238 -13.5238 -13.3102 -13.3102 -12.8676 -12.8676 -12.7369 -12.7369 -11.7558 -11.7558 -11.1661 -11.1661 -10.5952 -10.5952 -10.5186 -10.5186 -2.5682 -2.5682 -1.1392 -1.1392 0.4468 0.4468 0.9721 0.9721 1.3690 1.3690 1.4500 1.4500 1.9542 1.9542 2.9928 2.9928 3.2869 3.2869 3.7718 3.7718 3.9908 3.9908 4.2135 4.2135 4.4387 4.4387 4.5729 4.5729 4.6014 4.6014 4.8954 4.8954 5.1486 5.1486 5.2819 5.2819 10.8420 10.8420 11.0914 11.0914 12.7104 12.7104 12.7845 12.7845 12.8888 12.8888 13.9136 13.9136 k = 0.5000 0.2887 0.0652 ( 4376 PWs) bands (ev): -32.2866 -32.2866 -13.8391 -13.8391 -13.5238 -13.5238 -13.3077 -13.3077 -12.8609 -12.8609 -12.7447 -12.7447 -11.7527 -11.7527 -11.1682 -11.1682 -10.5909 -10.5909 -10.5212 -10.5212 -2.5695 -2.5695 -1.1382 -1.1382 0.4528 0.4528 0.9742 0.9742 1.3628 1.3628 1.4442 1.4442 1.9598 1.9598 2.9878 2.9878 3.2876 3.2876 3.7703 3.7703 4.0069 4.0069 4.1885 4.1885 4.4474 4.4474 4.5772 4.5772 4.5904 4.5904 4.9005 4.9005 5.1532 5.1532 5.2791 5.2791 10.8454 10.8454 11.0848 11.0848 12.7004 12.7004 12.7830 12.7830 12.8842 12.8842 13.9503 13.9503 k = 0.5000 0.2887 0.0489 ( 4370 PWs) bands (ev): -32.2866 -32.2866 -13.8417 -13.8417 -13.5237 -13.5237 -13.3056 -13.3056 -12.8555 -12.8555 -12.7510 -12.7510 -11.7502 -11.7502 -11.1698 -11.1698 -10.5874 -10.5874 -10.5233 -10.5233 -2.5704 -2.5704 -1.1373 -1.1373 0.4576 0.4576 0.9759 0.9759 1.3580 1.3580 1.4394 1.4394 1.9643 1.9643 2.9837 2.9837 3.2881 3.2881 3.7692 3.7692 4.0239 4.0239 4.1644 4.1644 4.4555 4.4555 4.5749 4.5749 4.5862 4.5862 4.9046 4.9046 5.1568 5.1568 5.2769 5.2769 10.8482 10.8482 11.0796 11.0796 12.6924 12.6924 12.7819 12.7819 12.8806 12.8806 13.9868 13.9868 k = 0.5000 0.2887 0.0326 ( 4378 PWs) bands (ev): -32.2866 -32.2866 -13.8436 -13.8436 -13.5237 -13.5237 -13.3041 -13.3041 -12.8516 -12.8516 -12.7556 -12.7556 -11.7485 -11.7485 -11.1709 -11.1709 -10.5849 -10.5849 -10.5248 -10.5248 -2.5712 -2.5712 -1.1367 -1.1367 0.4610 0.4610 0.9771 0.9771 1.3545 1.3545 1.4359 1.4359 1.9675 1.9675 2.9806 2.9806 3.2885 3.2885 3.7684 3.7684 4.0415 4.0415 4.1418 4.1418 4.4623 4.4623 4.5673 4.5673 4.5880 4.5880 4.9076 4.9076 5.1594 5.1594 5.2752 5.2752 10.8502 10.8502 11.0759 11.0759 12.6865 12.6865 12.7812 12.7812 12.8780 12.8780 14.0220 14.0220 k = 0.5000 0.2887 0.0163 ( 4380 PWs) bands (ev): -32.2866 -32.2866 -13.8447 -13.8447 -13.5237 -13.5237 -13.3032 -13.3032 -12.8492 -12.8492 -12.7584 -12.7584 -11.7474 -11.7474 -11.1716 -11.1716 -10.5833 -10.5833 -10.5258 -10.5258 -2.5716 -2.5716 -1.1363 -1.1363 0.4631 0.4631 0.9779 0.9779 1.3524 1.3524 1.4338 1.4338 1.9695 1.9695 2.9788 2.9788 3.2887 3.2887 3.7679 3.7679 4.0577 4.0577 4.1224 4.1224 4.4671 4.4671 4.5616 4.5616 4.5896 4.5896 4.9094 4.9094 5.1610 5.1610 5.2741 5.2741 10.8514 10.8514 11.0737 11.0737 12.6829 12.6829 12.7807 12.7807 12.8764 12.8764 14.0538 14.0538 k = 0.5000 0.2887-0.0000 ( 4384 PWs) bands (ev): -32.2866 -32.2866 -13.8451 -13.8451 -13.5237 -13.5237 -13.3028 -13.3028 -12.8484 -12.8484 -12.7594 -12.7594 -11.7471 -11.7471 -11.1718 -11.1718 -10.5828 -10.5828 -10.5261 -10.5261 -2.5717 -2.5717 -1.1362 -1.1362 0.4638 0.4638 0.9782 0.9782 1.3517 1.3517 1.4331 1.4331 1.9702 1.9702 2.9781 2.9781 3.2888 3.2888 3.7678 3.7678 4.0661 4.0661 4.1130 4.1130 4.4689 4.4689 4.5595 4.5595 4.5902 4.5902 4.9100 4.9100 5.1615 5.1615 5.2738 5.2738 10.8517 10.8517 11.0729 11.0729 12.6817 12.6817 12.7806 12.7806 12.8759 12.8759 14.0712 14.0712 k = 0.3333 0.5774-0.0000 ( 4413 PWs) bands (ev): -32.2866 -32.2866 -13.7703 -13.7703 -13.5659 -13.5659 -13.3625 -13.3625 -12.7535 -12.7535 -12.6875 -12.6875 -11.9561 -11.9561 -10.9810 -10.9810 -10.9789 -10.9789 -10.2931 -10.2931 -1.8783 -1.8783 -1.8540 -1.8540 0.6424 0.6424 0.7277 0.7277 1.3659 1.3659 1.9471 1.9471 2.2623 2.2623 2.3000 2.3000 2.7611 2.7611 4.0461 4.0461 4.2997 4.2997 4.3046 4.3046 4.3698 4.3698 4.5635 4.5635 4.5700 4.5700 5.0376 5.0376 5.0451 5.0451 5.2576 5.2576 10.9856 10.9856 10.9870 10.9870 12.6470 12.6470 12.7368 12.7368 12.7718 12.7718 13.9024 13.9024 k = 0.3333 0.5774 0.0163 ( 4410 PWs) bands (ev): -32.2866 -32.2866 -13.7670 -13.7670 -13.5614 -13.5614 -13.3591 -13.3591 -12.7613 -12.7613 -12.6968 -12.6968 -11.9642 -11.9642 -10.9751 -10.9751 -10.9737 -10.9737 -10.2872 -10.2872 -1.8779 -1.8779 -1.8535 -1.8535 0.6276 0.6276 0.7131 0.7131 1.3501 1.3501 1.9461 1.9461 2.2703 2.2703 2.3078 2.3078 2.7631 2.7631 4.0764 4.0764 4.2783 4.2783 4.2834 4.2834 4.3709 4.3709 4.5837 4.5837 4.5899 4.5899 5.0529 5.0529 5.0604 5.0604 5.2448 5.2448 10.9991 10.9991 11.0007 11.0007 12.6392 12.6392 12.7336 12.7336 12.7710 12.7710 13.8388 13.8388 k = 0.3333 0.5774 0.0326 ( 4422 PWs) bands (ev): -32.2866 -32.2866 -13.7633 -13.7633 -13.5560 -13.5560 -13.3558 -13.3558 -12.7700 -12.7700 -12.7071 -12.7071 -11.9714 -11.9714 -10.9691 -10.9691 -10.9684 -10.9684 -10.2817 -10.2817 -1.8775 -1.8775 -1.8530 -1.8530 0.6128 0.6128 0.6985 0.6985 1.3339 1.3339 1.9454 1.9454 2.2790 2.2790 2.3162 2.3162 2.7659 2.7659 4.1069 4.1069 4.2575 4.2575 4.2627 4.2627 4.3715 4.3715 4.6036 4.6036 4.6095 4.6095 5.0677 5.0677 5.0750 5.0750 5.2322 5.2322 11.0127 11.0127 11.0145 11.0145 12.6323 12.6323 12.7312 12.7312 12.7716 12.7716 13.7753 13.7753 k = 0.3333 0.5774 0.0489 ( 4419 PWs) bands (ev): -32.2866 -32.2866 -13.7590 -13.7590 -13.5498 -13.5498 -13.3526 -13.3526 -12.7794 -12.7794 -12.7184 -12.7184 -11.9779 -11.9779 -10.9631 -10.9631 -10.9630 -10.9630 -10.2768 -10.2768 -1.8772 -1.8772 -1.8526 -1.8526 0.5982 0.5982 0.6842 0.6842 1.3175 1.3175 1.9449 1.9449 2.2881 2.2881 2.3252 2.3252 2.7693 2.7693 4.1374 4.1374 4.2372 4.2372 4.2426 4.2426 4.3718 4.3718 4.6232 4.6232 4.6287 4.6287 5.0817 5.0817 5.0889 5.0889 5.2199 5.2199 11.0264 11.0264 11.0285 11.0285 12.6265 12.6265 12.7297 12.7297 12.7737 12.7737 13.7123 13.7123 k = 0.3333 0.5774 0.0652 ( 4425 PWs) bands (ev): -32.2866 -32.2866 -13.7544 -13.7544 -13.5429 -13.5429 -13.3496 -13.3496 -12.7896 -12.7896 -12.7306 -12.7306 -11.9835 -11.9835 -10.9577 -10.9577 -10.9570 -10.9570 -10.2725 -10.2725 -1.8769 -1.8769 -1.8522 -1.8522 0.5840 0.5840 0.6701 0.6701 1.3009 1.3009 1.9448 1.9448 2.2976 2.2976 2.3347 2.3347 2.7733 2.7733 4.1677 4.1677 4.2177 4.2177 4.2233 4.2233 4.3718 4.3718 4.6422 4.6422 4.6474 4.6474 5.0950 5.0950 5.1019 5.1019 5.2082 5.2082 11.0400 11.0400 11.0423 11.0423 12.6222 12.6222 12.7293 12.7293 12.7773 12.7773 13.6498 13.6498 k = 0.3333 0.5774 0.0815 ( 4413 PWs) bands (ev): -32.2866 -32.2866 -13.7494 -13.7494 -13.5352 -13.5352 -13.3466 -13.3466 -12.8004 -12.8004 -12.7436 -12.7436 -11.9882 -11.9882 -10.9524 -10.9524 -10.9509 -10.9509 -10.2689 -10.2689 -1.8766 -1.8766 -1.8519 -1.8519 0.5703 0.5703 0.6564 0.6564 1.2845 1.2845 1.9449 1.9449 2.3075 2.3075 2.3447 2.3447 2.7777 2.7777 4.1967 4.1967 4.2000 4.2000 4.2049 4.2049 4.3713 4.3713 4.6605 4.6605 4.6653 4.6653 5.1073 5.1073 5.1140 5.1140 5.1969 5.1969 11.0533 11.0533 11.0560 11.0560 12.6196 12.6196 12.7304 12.7304 12.7824 12.7824 13.5880 13.5880 k = 0.3333 0.5774 0.0978 ( 4413 PWs) bands (ev): -32.2866 -32.2866 -13.7440 -13.7440 -13.5267 -13.5267 -13.3438 -13.3438 -12.8118 -12.8118 -12.7574 -12.7574 -11.9919 -11.9919 -10.9473 -10.9473 -10.9450 -10.9450 -10.2659 -10.2659 -1.8764 -1.8764 -1.8517 -1.8517 0.5572 0.5572 0.6434 0.6434 1.2683 1.2683 1.9452 1.9452 2.3175 2.3175 2.3549 2.3549 2.7822 2.7822 4.1812 4.1812 4.1874 4.1874 4.2272 4.2272 4.3704 4.3704 4.6780 4.6780 4.6825 4.6825 5.1185 5.1185 5.1249 5.1249 5.1863 5.1863 11.0663 11.0663 11.0694 11.0694 12.6190 12.6190 12.7332 12.7332 12.7889 12.7889 13.5271 13.5271 k = 0.3333 0.5774 0.1141 ( 4395 PWs) bands (ev): -32.2866 -32.2866 -13.7383 -13.7383 -13.5174 -13.5174 -13.3412 -13.3412 -12.8237 -12.8237 -12.7719 -12.7719 -11.9946 -11.9946 -10.9423 -10.9423 -10.9392 -10.9392 -10.2636 -10.2636 -1.8762 -1.8762 -1.8515 -1.8515 0.5448 0.5448 0.6310 0.6310 1.2526 1.2526 1.9459 1.9459 2.3276 2.3276 2.3653 2.3653 2.7869 2.7869 4.1646 4.1646 4.1711 4.1711 4.2560 4.2560 4.3691 4.3691 4.6947 4.6947 4.6989 4.6989 5.1286 5.1286 5.1346 5.1346 5.1764 5.1764 11.0788 11.0788 11.0824 11.0824 12.6206 12.6206 12.7378 12.7378 12.7967 12.7967 13.4672 13.4672 k = 0.3333 0.5774 0.1304 ( 4395 PWs) bands (ev): -32.2866 -32.2866 -13.7324 -13.7324 -13.5075 -13.5075 -13.3387 -13.3387 -12.8361 -12.8361 -12.7870 -12.7870 -11.9963 -11.9963 -10.9376 -10.9376 -10.9337 -10.9337 -10.2620 -10.2620 -1.8761 -1.8761 -1.8514 -1.8514 0.5332 0.5332 0.6194 0.6194 1.2374 1.2374 1.9468 1.9468 2.3377 2.3377 2.3758 2.3758 2.7914 2.7914 4.1491 4.1491 4.1558 4.1558 4.2841 4.2841 4.3675 4.3675 4.7105 4.7105 4.7143 4.7143 5.1375 5.1375 5.1428 5.1428 5.1673 5.1673 11.0908 11.0908 11.0948 11.0948 12.6246 12.6246 12.7445 12.7445 12.8058 12.8058 13.4085 13.4085 k = 0.3333 0.5774 0.1467 ( 4395 PWs) bands (ev): -32.2866 -32.2866 -13.7263 -13.7263 -13.4969 -13.4969 -13.3363 -13.3363 -12.8488 -12.8488 -12.8026 -12.8026 -11.9970 -11.9970 -10.9331 -10.9331 -10.9284 -10.9284 -10.2610 -10.2610 -1.8760 -1.8760 -1.8513 -1.8513 0.5226 0.5226 0.6087 0.6087 1.2231 1.2231 1.9479 1.9479 2.3477 2.3477 2.3862 2.3862 2.7958 2.7958 4.1348 4.1348 4.1419 4.1419 4.3114 4.3114 4.3655 4.3655 4.7253 4.7253 4.7287 4.7287 5.1450 5.1450 5.1480 5.1480 5.1604 5.1604 11.1021 11.1021 11.1067 11.1067 12.6310 12.6310 12.7534 12.7534 12.8161 12.8161 13.3510 13.3510 k = 0.3333 0.5774 0.1630 ( 4395 PWs) bands (ev): -32.2866 -32.2866 -13.7201 -13.7201 -13.4857 -13.4857 -13.3341 -13.3341 -12.8618 -12.8618 -12.8187 -12.8187 -11.9966 -11.9966 -10.9289 -10.9289 -10.9234 -10.9234 -10.2609 -10.2609 -1.8760 -1.8760 -1.8513 -1.8513 0.5130 0.5130 0.5989 0.5989 1.2095 1.2095 1.9493 1.9493 2.3574 2.3574 2.3965 2.3965 2.7997 2.7997 4.1218 4.1218 4.1292 4.1292 4.3378 4.3378 4.3632 4.3632 4.7390 4.7390 4.7420 4.7420 5.1460 5.1460 5.1511 5.1511 5.1600 5.1600 11.1128 11.1128 11.1179 11.1179 12.6402 12.6402 12.7647 12.7647 12.8275 12.8275 13.2950 13.2950 k = 0.3333 0.5774 0.1793 ( 4407 PWs) bands (ev): -32.2866 -32.2866 -13.7138 -13.7138 -13.4739 -13.4739 -13.3319 -13.3319 -12.8750 -12.8750 -12.8352 -12.8352 -11.9952 -11.9952 -10.9251 -10.9251 -10.9188 -10.9188 -10.2614 -10.2614 -1.8761 -1.8761 -1.8514 -1.8514 0.5044 0.5044 0.5902 0.5902 1.1970 1.1970 1.9509 1.9509 2.3668 2.3668 2.4066 2.4066 2.8032 2.8032 4.1102 4.1102 4.1180 4.1180 4.3601 4.3601 4.3637 4.3637 4.7516 4.7516 4.7543 4.7543 5.1395 5.1395 5.1557 5.1557 5.1631 5.1631 11.1226 11.1226 11.1282 11.1282 12.6519 12.6519 12.7784 12.7784 12.8399 12.8399 13.2406 13.2406 k = 0.3333 0.5774 0.1957 ( 4398 PWs) bands (ev): -32.2866 -32.2866 -13.7075 -13.7075 -13.4614 -13.4614 -13.3298 -13.3298 -12.8883 -12.8883 -12.8520 -12.8520 -11.9928 -11.9928 -10.9217 -10.9217 -10.9145 -10.9145 -10.2627 -10.2627 -1.8762 -1.8762 -1.8515 -1.8515 0.4970 0.4970 0.5826 0.5826 1.1856 1.1856 1.9527 1.9527 2.3758 2.3758 2.4164 2.4164 2.8061 2.8061 4.1001 4.1001 4.1082 4.1082 4.3575 4.3575 4.3880 4.3880 4.7629 4.7629 4.7653 4.7653 5.1326 5.1326 5.1587 5.1587 5.1656 5.1656 11.1317 11.1317 11.1378 11.1378 12.6664 12.6664 12.7945 12.7945 12.8534 12.8534 13.1881 13.1881 k = 0.3333 0.5774 0.2120 ( 4404 PWs) bands (ev): -32.2866 -32.2866 -13.7013 -13.7013 -13.4485 -13.4485 -13.3278 -13.3278 -12.9016 -12.9016 -12.8690 -12.8690 -11.9894 -11.9894 -10.9186 -10.9186 -10.9107 -10.9107 -10.2646 -10.2646 -1.8764 -1.8764 -1.8517 -1.8517 0.4907 0.4907 0.5761 0.5761 1.1753 1.1753 1.9547 1.9547 2.3844 2.3844 2.4257 2.4257 2.8083 2.8083 4.0915 4.0915 4.1000 4.1000 4.3543 4.3543 4.4114 4.4114 4.7731 4.7731 4.7750 4.7750 5.1261 5.1261 5.1602 5.1602 5.1667 5.1667 11.1398 11.1398 11.1464 11.1464 12.6834 12.6834 12.8130 12.8130 12.8677 12.8678 13.1376 13.1376 k = 0.3333 0.5774 0.2283 ( 4395 PWs) bands (ev): -32.2866 -32.2866 -13.6952 -13.6952 -13.4351 -13.4351 -13.3258 -13.3258 -12.9148 -12.9148 -12.8862 -12.8862 -11.9850 -11.9850 -10.9160 -10.9160 -10.9074 -10.9074 -10.2673 -10.2673 -1.8766 -1.8766 -1.8520 -1.8520 0.4857 0.4857 0.5708 0.5708 1.1663 1.1663 1.9569 1.9569 2.3924 2.3924 2.4345 2.4345 2.8099 2.8099 4.0845 4.0845 4.0934 4.0934 4.3508 4.3508 4.4336 4.4336 4.7819 4.7819 4.7835 4.7835 5.1200 5.1200 5.1600 5.1600 5.1665 5.1665 11.1470 11.1470 11.1540 11.1540 12.7028 12.7028 12.8338 12.8338 12.8829 12.8829 13.0896 13.0896 k = 0.3333 0.5774 0.2446 ( 4383 PWs) bands (ev): -32.2866 -32.2866 -13.6893 -13.6893 -13.4214 -13.4214 -13.3238 -13.3238 -12.9277 -12.9277 -12.9033 -12.9033 -11.9797 -11.9797 -10.9138 -10.9138 -10.9045 -10.9045 -10.2706 -10.2706 -1.8768 -1.8768 -1.8523 -1.8523 0.4819 0.4819 0.5667 0.5667 1.1587 1.1587 1.9592 1.9592 2.3997 2.3997 2.4428 2.4428 2.8106 2.8106 4.0791 4.0791 4.0884 4.0884 4.3472 4.3472 4.4546 4.4546 4.7892 4.7892 4.7904 4.7904 5.1144 5.1144 5.1584 5.1584 5.1648 5.1648 11.1533 11.1533 11.1606 11.1606 12.7243 12.7243 12.8565 12.8565 12.8987 12.8987 13.0444 13.0444 k = 0.3333 0.5774 0.2609 ( 4395 PWs) bands (ev): -32.2866 -32.2866 -13.6838 -13.6838 -13.4074 -13.4074 -13.3219 -13.3219 -12.9403 -12.9403 -12.9203 -12.9203 -11.9735 -11.9735 -10.9121 -10.9121 -10.9021 -10.9021 -10.2746 -10.2746 -1.8771 -1.8771 -1.8527 -1.8527 0.4794 0.4794 0.5639 0.5639 1.1523 1.1523 1.9616 1.9616 2.4064 2.4064 2.4505 2.4505 2.8107 2.8107 4.0753 4.0753 4.0850 4.0850 4.3433 4.3433 4.4740 4.4740 4.7951 4.7951 4.7959 4.7959 5.1095 5.1095 5.1552 5.1552 5.1617 5.1617 11.1584 11.1584 11.1660 11.1660 12.7471 12.7471 12.8803 12.8803 12.9147 12.9147 13.0029 13.0029 k = 0.3333 0.5774 0.2772 ( 4395 PWs) bands (ev): -32.2865 -32.2865 -13.6787 -13.6787 -13.3933 -13.3933 -13.3200 -13.3200 -12.9523 -12.9523 -12.9371 -12.9371 -11.9665 -11.9665 -10.9108 -10.9108 -10.9003 -10.9003 -10.2792 -10.2792 -1.8775 -1.8775 -1.8531 -1.8531 0.4781 0.4781 0.5623 0.5623 1.1474 1.1474 1.9642 1.9642 2.4123 2.4123 2.4574 2.4574 2.8099 2.8099 4.0733 4.0733 4.0833 4.0833 4.3394 4.3394 4.4916 4.4916 4.7993 4.7993 4.7997 4.7997 5.1052 5.1052 5.1506 5.1506 5.1573 5.1573 11.1624 11.1624 11.1703 11.1703 12.7699 12.7699 12.9030 12.9030 12.9303 12.9303 12.9664 12.9664 k = 0.3333 0.5774 0.2935 ( 4392 PWs) bands (ev): -32.2865 -32.2865 -13.6740 -13.6740 -13.3792 -13.3792 -13.3182 -13.3182 -12.9637 -12.9637 -12.9534 -12.9534 -11.9588 -11.9588 -10.9101 -10.9101 -10.8990 -10.8990 -10.2844 -10.2844 -1.8779 -1.8779 -1.8536 -1.8536 0.4781 0.4781 0.5619 0.5619 1.1439 1.1439 1.9668 1.9668 2.4175 2.4175 2.4636 2.4636 2.8084 2.8084 4.0729 4.0729 4.0833 4.0833 4.3353 4.3353 4.5072 4.5072 4.8018 4.8018 4.8018 4.8018 5.1018 5.1018 5.1448 5.1448 5.1517 5.1517 11.1653 11.1653 11.1732 11.1732 12.7894 12.7894 12.9149 12.9149 12.9383 12.9383 12.9457 12.9457 k = 0.3333 0.5774 0.3098 ( 4398 PWs) bands (ev): -32.2865 -32.2865 -13.6698 -13.6698 -13.3652 -13.3652 -13.3165 -13.3165 -12.9743 -12.9743 -12.9691 -12.9691 -11.9504 -11.9504 -10.9098 -10.9098 -10.8982 -10.8982 -10.2902 -10.2902 -1.8783 -1.8783 -1.8541 -1.8541 0.4794 0.4794 0.5628 0.5628 1.1418 1.1418 1.9694 1.9694 2.4219 2.4219 2.4691 2.4691 2.8063 2.8063 4.0743 4.0743 4.0850 4.0850 4.3312 4.3312 4.5204 4.5204 4.8020 4.8020 4.8025 4.8025 5.0995 5.0995 5.1379 5.1379 5.1451 5.1451 11.1670 11.1670 11.1748 11.1748 12.7989 12.7989 12.9013 12.9013 12.9254 12.9254 12.9641 12.9641 k = 0.3333 0.5774 0.3261 ( 4398 PWs) bands (ev): -32.2865 -32.2865 -13.6663 -13.6663 -13.3517 -13.3517 -13.3151 -13.3151 -12.9839 -12.9839 -12.9838 -12.9838 -11.9414 -11.9414 -10.9100 -10.9100 -10.8980 -10.8980 -10.2965 -10.2965 -1.8788 -1.8788 -1.8547 -1.8547 0.4820 0.4820 0.5649 0.5649 1.1412 1.1412 1.9721 1.9721 2.4254 2.4254 2.4737 2.4737 2.8035 2.8035 4.0773 4.0773 4.0883 4.0883 4.3271 4.3271 4.5309 4.5309 4.8003 4.8003 4.8012 4.8012 5.0984 5.0984 5.1300 5.1300 5.1377 5.1377 11.1673 11.1673 11.1750 11.1750 12.7923 12.7923 12.8744 12.8744 12.9335 12.9335 12.9832 12.9832 k = 0.3333 0.5774 0.3424 ( 4386 PWs) bands (ev): -32.2865 -32.2865 -13.6633 -13.6633 -13.3389 -13.3389 -13.3139 -13.3139 -12.9975 -12.9975 -12.9922 -12.9922 -11.9318 -11.9318 -10.9107 -10.9107 -10.8983 -10.8983 -10.3032 -10.3032 -1.8793 -1.8793 -1.8553 -1.8553 0.4857 0.4857 0.5682 0.5682 1.1420 1.1420 1.9748 1.9748 2.4281 2.4281 2.4775 2.4775 2.8002 2.8002 4.0819 4.0819 4.0933 4.0933 4.3230 4.3230 4.5383 4.5383 4.7965 4.7965 4.7978 4.7978 5.0988 5.0988 5.1214 5.1214 5.1298 5.1298 11.1663 11.1663 11.1738 11.1738 12.7747 12.7747 12.8457 12.8457 12.9578 12.9578 13.0016 13.0016 k = 0.3333 0.5774 0.3587 ( 4374 PWs) bands (ev): -32.2865 -32.2865 -13.6610 -13.6610 -13.3272 -13.3272 -13.3131 -13.3131 -13.0095 -13.0095 -12.9991 -12.9991 -11.9218 -11.9218 -10.9119 -10.9119 -10.8991 -10.8991 -10.3103 -10.3103 -1.8798 -1.8798 -1.8559 -1.8559 0.4907 0.4907 0.5727 0.5727 1.1443 1.1443 1.9774 1.9774 2.4300 2.4300 2.4804 2.4804 2.7964 2.7964 4.0881 4.0881 4.0998 4.0998 4.3190 4.3190 4.5422 4.5422 4.7906 4.7906 4.7922 4.7922 5.1006 5.1006 5.1123 5.1123 5.1218 5.1218 11.1638 11.1638 11.1710 11.1710 12.7534 12.7534 12.8184 12.8184 12.9908 12.9908 13.0194 13.0194 k = 0.3333 0.5774 0.3750 ( 4377 PWs) bands (ev): -32.2865 -32.2865 -13.6594 -13.6594 -13.3171 -13.3171 -13.3129 -13.3129 -13.0196 -13.0196 -13.0045 -13.0045 -11.9114 -11.9114 -10.9135 -10.9135 -10.9005 -10.9005 -10.3178 -10.3178 -1.8803 -1.8803 -1.8565 -1.8565 0.4968 0.4968 0.5783 0.5783 1.1479 1.1479 1.9800 1.9800 2.4310 2.4310 2.4825 2.4825 2.7923 2.7923 4.0959 4.0959 4.1078 4.1078 4.3150 4.3150 4.5423 4.5423 4.7824 4.7824 4.7845 4.7845 5.1023 5.1023 5.1028 5.1028 5.1155 5.1155 11.1598 11.1598 11.1667 11.1667 12.7323 12.7323 12.7935 12.7935 13.0284 13.0284 13.0365 13.0365 k = 0.3333 0.5774 0.3913 ( 4365 PWs) bands (ev): -32.2865 -32.2865 -13.6585 -13.6585 -13.3134 -13.3134 -13.3089 -13.3089 -13.0272 -13.0272 -13.0081 -13.0081 -11.9008 -11.9008 -10.9155 -10.9155 -10.9024 -10.9024 -10.3255 -10.3255 -1.8809 -1.8809 -1.8571 -1.8571 0.5040 0.5040 0.5850 0.5850 1.1528 1.1528 1.9826 1.9826 2.4312 2.4312 2.4838 2.4838 2.7880 2.7880 4.1052 4.1052 4.1173 4.1173 4.3112 4.3112 4.5384 4.5384 4.7721 4.7721 4.7744 4.7744 5.0931 5.0931 5.0986 5.0986 5.1166 5.1166 11.1544 11.1544 11.1609 11.1609 12.7129 12.7129 12.7714 12.7714 13.0527 13.0527 13.0691 13.0691 k = 0.3333 0.5774 0.4076 ( 4359 PWs) bands (ev): -32.2865 -32.2865 -13.6582 -13.6582 -13.3146 -13.3146 -13.3032 -13.3032 -13.0318 -13.0318 -13.0099 -13.0099 -11.8900 -11.8900 -10.9181 -10.9181 -10.9048 -10.9048 -10.3335 -10.3335 -1.8814 -1.8814 -1.8578 -1.8578 0.5122 0.5122 0.5927 0.5927 1.1590 1.1590 1.9850 1.9850 2.4306 2.4306 2.4842 2.4842 2.7835 2.7835 4.1158 4.1158 4.1281 4.1281 4.3076 4.3076 4.5305 4.5305 4.7597 4.7597 4.7622 4.7622 5.0833 5.0833 5.0905 5.0905 5.1240 5.1240 11.1474 11.1474 11.1535 11.1535 12.6958 12.6958 12.7523 12.7523 13.0679 13.0679 13.1121 13.1121 k = 0.3333 0.5774 0.4239 ( 4374 PWs) bands (ev): -32.2865 -32.2865 -13.6587 -13.6587 -13.3167 -13.3167 -13.3004 -13.3004 -13.0331 -13.0331 -13.0098 -13.0098 -11.8791 -11.8791 -10.9210 -10.9210 -10.9076 -10.9076 -10.3416 -10.3416 -1.8820 -1.8820 -1.8584 -1.8584 0.5214 0.5214 0.6014 0.6014 1.1665 1.1665 1.9873 1.9873 2.4292 2.4292 2.4838 2.4838 2.7790 2.7790 4.1276 4.1276 4.1400 4.1400 4.3042 4.3042 4.5184 4.5184 4.7452 4.7452 4.7479 4.7479 5.0736 5.0736 5.0815 5.0815 5.1344 5.1344 11.1391 11.1391 11.1447 11.1447 12.6813 12.6813 12.7360 12.7360 13.0819 13.0819 13.1568 13.1568 k = 0.3333 0.5774 0.4402 ( 4374 PWs) bands (ev): -32.2865 -32.2865 -13.6597 -13.6597 -13.3196 -13.3196 -13.3007 -13.3007 -13.0309 -13.0309 -13.0077 -13.0077 -11.8683 -11.8683 -10.9243 -10.9243 -10.9109 -10.9109 -10.3498 -10.3498 -1.8825 -1.8825 -1.8591 -1.8591 0.5315 0.5315 0.6109 0.6109 1.1751 1.1751 1.9894 1.9894 2.4271 2.4271 2.4825 2.4825 2.7746 2.7746 4.1406 4.1406 4.1532 4.1532 4.3010 4.3010 4.5025 4.5025 4.7290 4.7290 4.7317 4.7317 5.0638 5.0638 5.0722 5.0722 5.1470 5.1470 11.1293 11.1293 11.1345 11.1345 12.6694 12.6694 12.7226 12.7226 13.0945 13.0945 13.2029 13.2029 k = 0.3333 0.5774 0.4565 ( 4380 PWs) bands (ev): -32.2865 -32.2865 -13.6614 -13.6614 -13.3233 -13.3233 -13.3039 -13.3039 -13.0253 -13.0253 -13.0037 -13.0037 -11.8576 -11.8576 -10.9279 -10.9279 -10.9147 -10.9147 -10.3580 -10.3580 -1.8831 -1.8831 -1.8597 -1.8597 0.5424 0.5424 0.6213 0.6213 1.1849 1.1849 1.9914 1.9914 2.4242 2.4242 2.4805 2.4805 2.7704 2.7704 4.1547 4.1547 4.1672 4.1672 4.2981 4.2981 4.4827 4.4827 4.7111 4.7111 4.7139 4.7139 5.0541 5.0541 5.0628 5.0628 5.1612 5.1612 11.1183 11.1183 11.1231 11.1231 12.6602 12.6602 12.7120 12.7120 13.1056 13.1056 13.2502 13.2502 k = 0.3333 0.5774 0.4728 ( 4374 PWs) bands (ev): -32.2865 -32.2865 -13.6636 -13.6636 -13.3277 -13.3277 -13.3098 -13.3098 -13.0166 -13.0166 -12.9979 -12.9979 -11.8471 -11.8471 -10.9319 -10.9319 -10.9188 -10.9188 -10.3661 -10.3661 -1.8836 -1.8836 -1.8603 -1.8603 0.5540 0.5540 0.6324 0.6324 1.1956 1.1956 1.9932 1.9932 2.4207 2.4207 2.4778 2.4778 2.7666 2.7666 4.1696 4.1696 4.1822 4.1822 4.2956 4.2956 4.4596 4.4596 4.6921 4.6921 4.6947 4.6947 5.0444 5.0444 5.0533 5.0533 5.1768 5.1768 11.1061 11.1061 11.1105 11.1105 12.6534 12.6534 12.7039 12.7039 13.1150 13.1150 13.2985 13.2985 k = 0.3333 0.5774 0.4891 ( 4386 PWs) bands (ev): -32.2865 -32.2865 -13.6664 -13.6664 -13.3327 -13.3327 -13.3179 -13.3179 -13.0052 -13.0052 -12.9905 -12.9905 -11.8369 -11.8369 -10.9362 -10.9362 -10.9233 -10.9233 -10.3740 -10.3740 -1.8841 -1.8841 -1.8609 -1.8609 0.5664 0.5664 0.6442 0.6442 1.2073 1.2073 1.9948 1.9948 2.4164 2.4164 2.4742 2.4742 2.7631 2.7631 4.1852 4.1852 4.1977 4.1977 4.2933 4.2933 4.4333 4.4333 4.6721 4.6721 4.6746 4.6746 5.0345 5.0345 5.0436 5.0436 5.1935 5.1935 11.0930 11.0930 11.0970 11.0970 12.6489 12.6489 12.6982 12.6982 13.1224 13.1224 13.3476 13.3476 k = 0.3333 0.5774 0.5054 ( 4386 PWs) bands (ev): -32.2865 -32.2865 -13.6696 -13.6696 -13.3382 -13.3382 -13.3278 -13.3278 -12.9917 -12.9917 -12.9816 -12.9816 -11.8272 -11.8272 -10.9407 -10.9407 -10.9282 -10.9282 -10.3817 -10.3817 -1.8846 -1.8846 -1.8615 -1.8615 0.5792 0.5792 0.6565 0.6565 1.2197 1.2197 1.9962 1.9962 2.4115 2.4115 2.4700 2.4700 2.7602 2.7602 4.2013 4.2013 4.2137 4.2137 4.2914 4.2914 4.4043 4.4043 4.6516 4.6516 4.6540 4.6540 5.0245 5.0245 5.0337 5.0337 5.2108 5.2108 11.0790 11.0790 11.0826 11.0826 12.6464 12.6464 12.6947 12.6947 13.1279 13.1279 13.3973 13.3973 k = 0.3333 0.5774 0.5217 ( 4386 PWs) bands (ev): -32.2865 -32.2865 -13.6733 -13.6733 -13.3440 -13.3440 -13.3391 -13.3391 -12.9766 -12.9766 -12.9714 -12.9714 -11.8180 -11.8180 -10.9454 -10.9454 -10.9333 -10.9333 -10.3890 -10.3890 -1.8850 -1.8850 -1.8620 -1.8620 0.5925 0.5925 0.6693 0.6693 1.2329 1.2329 1.9973 1.9973 2.4060 2.4060 2.4651 2.4651 2.7579 2.7579 4.2176 4.2176 4.2300 4.2300 4.2899 4.2899 4.3729 4.3729 4.6310 4.6310 4.6333 4.6333 5.0142 5.0142 5.0235 5.0235 5.2284 5.2284 11.0643 11.0643 11.0677 11.0677 12.6459 12.6459 12.6932 12.6932 13.1311 13.1311 13.4476 13.4476 Writing output data file CaxSbO3x2.save init_run : 0.44s CPU 0.97s WALL ( 1 calls) electrons : 337.02s CPU 342.97s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.22s WALL ( 1 calls) potinit : 0.02s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 337.01s CPU 342.96s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.08s CPU 0.10s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.08s WALL ( 295 calls) cegterg : 317.08s CPU 321.00s WALL ( 630 calls) Called by sum_band: Called by *egterg: h_psi : 169.83s CPU 172.34s WALL ( 10872 calls) s_psi : 10.44s CPU 10.52s WALL ( 10872 calls) g_psi : 0.48s CPU 0.43s WALL ( 9947 calls) cdiaghg : 113.01s CPU 114.54s WALL ( 10242 calls) cegterg:over : 13.18s CPU 13.25s WALL ( 9947 calls) cegterg:upda : 12.10s CPU 12.24s WALL ( 9947 calls) cegterg:last : 6.61s CPU 6.57s WALL ( 1796 calls) cdiaghg:chol : 6.42s CPU 6.60s WALL ( 10242 calls) cdiaghg:inve : 4.58s CPU 4.77s WALL ( 10242 calls) cdiaghg:para : 7.94s CPU 8.09s WALL ( 20484 calls) Called by h_psi: h_psi:vloc : 145.63s CPU 147.88s WALL ( 10872 calls) h_psi:vnl : 23.79s CPU 24.03s WALL ( 10872 calls) add_vuspsi : 12.64s CPU 12.42s WALL ( 10872 calls) General routines calbec : 11.12s CPU 11.58s WALL ( 10872 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 136.15s CPU 138.40s WALL ( 1373872 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.22s CPU 0.31s WALL ( 590 calls) Parallel routines fft_scatter : 41.86s CPU 42.76s WALL ( 1373895 calls) PWSCF : 5m55.53s CPU 6m29.83s WALL This run was terminated on: 16:21:18 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=