Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:54:12 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: ./CdxSbO3x2.save/ file Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4D 4D renormalized file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 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 119 35 10 5837 925 146 Max 120 36 11 5842 945 151 Sum 4303 1273 367 210199 33663 5295 bravais-lattice index = 14 lattice parameter (alat) = 9.9020 a.u. unit-cell volume = 770.9413 (a.u.)^3 number of atoms/cell = 9 number of atomic types = 3 number of electrons = 58.00 number of Kohn-Sham states= 70 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 639.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.901975 celldm(2)= 1.000000 celldm(3)= 0.916907 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 0.916907 ) 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 1.090623 ) 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 Cd read from file: /users/gautes/Pseudo/Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1d41bce1441572f114805845d9d822b0 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1239 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 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 atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Cd 12.00 112.41100 Cd( 1.00) Sb 5.00 121.76000 Sb( 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= 298 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033557 k( 2) = ( 0.0142857 0.0082479 -0.0000000), wk = 0.0033557 k( 3) = ( 0.0285714 0.0164957 -0.0000000), wk = 0.0033557 k( 4) = ( 0.0428571 0.0247436 -0.0000000), wk = 0.0033557 k( 5) = ( 0.0571429 0.0329914 -0.0000000), wk = 0.0033557 k( 6) = ( 0.0714286 0.0412393 -0.0000000), wk = 0.0033557 k( 7) = ( 0.0857143 0.0494872 -0.0000000), wk = 0.0033557 k( 8) = ( 0.1000000 0.0577350 -0.0000000), wk = 0.0033557 k( 9) = ( 0.1142857 0.0659829 -0.0000000), wk = 0.0033557 k( 10) = ( 0.1285714 0.0742307 -0.0000000), wk = 0.0033557 k( 11) = ( 0.1428571 0.0824786 -0.0000000), wk = 0.0033557 k( 12) = ( 0.1571429 0.0907265 -0.0000000), wk = 0.0033557 k( 13) = ( 0.1714286 0.0989743 -0.0000000), wk = 0.0033557 k( 14) = ( 0.1857143 0.1072222 -0.0000000), wk = 0.0033557 k( 15) = ( 0.2000000 0.1154701 -0.0000000), wk = 0.0033557 k( 16) = ( 0.2142857 0.1237179 -0.0000000), wk = 0.0033557 k( 17) = ( 0.2285714 0.1319658 -0.0000000), wk = 0.0033557 k( 18) = ( 0.2428571 0.1402136 -0.0000000), wk = 0.0033557 k( 19) = ( 0.2571429 0.1484615 -0.0000000), wk = 0.0033557 k( 20) = ( 0.2714286 0.1567094 -0.0000000), wk = 0.0033557 k( 21) = ( 0.2857143 0.1649572 -0.0000000), wk = 0.0033557 k( 22) = ( 0.3000000 0.1732051 -0.0000000), wk = 0.0033557 k( 23) = ( 0.3142857 0.1814529 -0.0000000), wk = 0.0033557 k( 24) = ( 0.3285714 0.1897008 -0.0000000), wk = 0.0033557 k( 25) = ( 0.3428571 0.1979487 -0.0000000), wk = 0.0033557 k( 26) = ( 0.3571429 0.2061965 -0.0000000), wk = 0.0033557 k( 27) = ( 0.3714286 0.2144444 -0.0000000), wk = 0.0033557 k( 28) = ( 0.3857143 0.2226922 -0.0000000), wk = 0.0033557 k( 29) = ( 0.4000000 0.2309401 -0.0000000), wk = 0.0033557 k( 30) = ( 0.4142857 0.2391880 -0.0000000), wk = 0.0033557 k( 31) = ( 0.4285714 0.2474358 -0.0000000), wk = 0.0033557 k( 32) = ( 0.4428571 0.2556837 -0.0000000), wk = 0.0033557 k( 33) = ( 0.4571429 0.2639316 -0.0000000), wk = 0.0033557 k( 34) = ( 0.4714286 0.2721794 -0.0000000), wk = 0.0033557 k( 35) = ( 0.4857143 0.2804273 -0.0000000), wk = 0.0033557 k( 36) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033557 k( 37) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033557 k( 38) = ( 0.4916667 0.3031089 -0.0000000), wk = 0.0033557 k( 39) = ( 0.4833333 0.3175426 -0.0000000), wk = 0.0033557 k( 40) = ( 0.4750000 0.3319764 -0.0000000), wk = 0.0033557 k( 41) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0033557 k( 42) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0033557 k( 43) = ( 0.4500000 0.3752777 -0.0000000), wk = 0.0033557 k( 44) = ( 0.4416667 0.3897114 -0.0000000), wk = 0.0033557 k( 45) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0033557 k( 46) = ( 0.4250000 0.4185789 -0.0000000), wk = 0.0033557 k( 47) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0033557 k( 48) = ( 0.4083333 0.4474465 -0.0000000), wk = 0.0033557 k( 49) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0033557 k( 50) = ( 0.3916667 0.4763140 -0.0000000), wk = 0.0033557 k( 51) = ( 0.3833333 0.4907477 -0.0000000), wk = 0.0033557 k( 52) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0033557 k( 53) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0033557 k( 54) = ( 0.3583333 0.5340490 -0.0000000), wk = 0.0033557 k( 55) = ( 0.3500000 0.5484828 -0.0000000), wk = 0.0033557 k( 56) = ( 0.3416667 0.5629165 -0.0000000), wk = 0.0033557 k( 57) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033557 k( 58) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033557 k( 59) = ( 0.3250000 0.5629165 -0.0000000), wk = 0.0033557 k( 60) = ( 0.3166667 0.5484828 -0.0000000), wk = 0.0033557 k( 61) = ( 0.3083333 0.5340490 -0.0000000), wk = 0.0033557 k( 62) = ( 0.3000000 0.5196152 -0.0000000), wk = 0.0033557 k( 63) = ( 0.2916667 0.5051815 -0.0000000), wk = 0.0033557 k( 64) = ( 0.2833333 0.4907477 -0.0000000), wk = 0.0033557 k( 65) = ( 0.2750000 0.4763140 -0.0000000), wk = 0.0033557 k( 66) = ( 0.2666667 0.4618802 -0.0000000), wk = 0.0033557 k( 67) = ( 0.2583333 0.4474465 -0.0000000), wk = 0.0033557 k( 68) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0033557 k( 69) = ( 0.2416667 0.4185790 -0.0000000), wk = 0.0033557 k( 70) = ( 0.2333333 0.4041452 -0.0000000), wk = 0.0033557 k( 71) = ( 0.2250000 0.3897114 -0.0000000), wk = 0.0033557 k( 72) = ( 0.2166667 0.3752777 -0.0000000), wk = 0.0033557 k( 73) = ( 0.2083333 0.3608439 -0.0000000), wk = 0.0033557 k( 74) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0033557 k( 75) = ( 0.1916667 0.3319764 -0.0000000), wk = 0.0033557 k( 76) = ( 0.1833333 0.3175426 -0.0000000), wk = 0.0033557 k( 77) = ( 0.1750000 0.3031089 -0.0000000), wk = 0.0033557 k( 78) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0033557 k( 79) = ( 0.1583333 0.2742414 -0.0000000), wk = 0.0033557 k( 80) = ( 0.1500000 0.2598076 -0.0000000), wk = 0.0033557 k( 81) = ( 0.1416667 0.2453739 -0.0000000), wk = 0.0033557 k( 82) = ( 0.1333333 0.2309401 -0.0000000), wk = 0.0033557 k( 83) = ( 0.1250000 0.2165064 -0.0000000), wk = 0.0033557 k( 84) = ( 0.1166667 0.2020726 -0.0000000), wk = 0.0033557 k( 85) = ( 0.1083333 0.1876388 -0.0000000), wk = 0.0033557 k( 86) = ( 0.1000000 0.1732051 -0.0000000), wk = 0.0033557 k( 87) = ( 0.0916667 0.1587713 -0.0000000), wk = 0.0033557 k( 88) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0033557 k( 89) = ( 0.0750000 0.1299038 -0.0000000), wk = 0.0033557 k( 90) = ( 0.0666667 0.1154701 -0.0000000), wk = 0.0033557 k( 91) = ( 0.0583333 0.1010363 -0.0000000), wk = 0.0033557 k( 92) = ( 0.0500000 0.0866025 -0.0000000), wk = 0.0033557 k( 93) = ( 0.0416667 0.0721688 -0.0000000), wk = 0.0033557 k( 94) = ( 0.0333333 0.0577350 -0.0000000), wk = 0.0033557 k( 95) = ( 0.0250000 0.0433013 -0.0000000), wk = 0.0033557 k( 96) = ( 0.0166667 0.0288675 -0.0000000), wk = 0.0033557 k( 97) = ( 0.0083333 0.0144338 -0.0000000), wk = 0.0033557 k( 98) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033557 k( 99) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033557 k( 100) = ( 0.0000000 0.0000000 0.0165246), wk = 0.0033557 k( 101) = ( 0.0000000 0.0000000 0.0330492), wk = 0.0033557 k( 102) = ( 0.0000000 0.0000000 0.0495738), wk = 0.0033557 k( 103) = ( 0.0000000 0.0000000 0.0660984), wk = 0.0033557 k( 104) = ( 0.0000000 0.0000000 0.0826230), wk = 0.0033557 k( 105) = ( 0.0000000 0.0000000 0.0991476), wk = 0.0033557 k( 106) = ( 0.0000000 0.0000000 0.1156722), wk = 0.0033557 k( 107) = ( 0.0000000 0.0000000 0.1321968), wk = 0.0033557 k( 108) = ( 0.0000000 0.0000000 0.1487214), wk = 0.0033557 k( 109) = ( 0.0000000 0.0000000 0.1652460), wk = 0.0033557 k( 110) = ( 0.0000000 0.0000000 0.1817706), wk = 0.0033557 k( 111) = ( 0.0000000 0.0000000 0.1982952), wk = 0.0033557 k( 112) = ( 0.0000000 0.0000000 0.2148198), wk = 0.0033557 k( 113) = ( 0.0000000 0.0000000 0.2313443), wk = 0.0033557 k( 114) = ( 0.0000000 0.0000000 0.2478690), wk = 0.0033557 k( 115) = ( 0.0000000 0.0000000 0.2643935), wk = 0.0033557 k( 116) = ( 0.0000000 0.0000000 0.2809181), wk = 0.0033557 k( 117) = ( 0.0000000 0.0000000 0.2974427), wk = 0.0033557 k( 118) = ( 0.0000000 0.0000000 0.3139673), wk = 0.0033557 k( 119) = ( 0.0000000 0.0000000 0.3304919), wk = 0.0033557 k( 120) = ( 0.0000000 0.0000000 0.3470165), wk = 0.0033557 k( 121) = ( 0.0000000 0.0000000 0.3635411), wk = 0.0033557 k( 122) = ( 0.0000000 0.0000000 0.3800657), wk = 0.0033557 k( 123) = ( 0.0000000 0.0000000 0.3965903), wk = 0.0033557 k( 124) = ( 0.0000000 0.0000000 0.4131149), wk = 0.0033557 k( 125) = ( 0.0000000 0.0000000 0.4296395), wk = 0.0033557 k( 126) = ( 0.0000000 0.0000000 0.4461641), wk = 0.0033557 k( 127) = ( 0.0000000 0.0000000 0.4626887), wk = 0.0033557 k( 128) = ( 0.0000000 0.0000000 0.4792133), wk = 0.0033557 k( 129) = ( 0.0000000 0.0000000 0.4957379), wk = 0.0033557 k( 130) = ( 0.0000000 0.0000000 0.5122625), wk = 0.0033557 k( 131) = ( 0.0000000 0.0000000 0.5287871), wk = 0.0033557 k( 132) = ( 0.0000000 0.0000000 0.5453117), wk = 0.0033557 k( 133) = ( 0.0000000 0.0000000 0.5453117), wk = 0.0033557 k( 134) = ( 0.0142857 0.0082479 0.5453117), wk = 0.0033557 k( 135) = ( 0.0285714 0.0164957 0.5453117), wk = 0.0033557 k( 136) = ( 0.0428571 0.0247436 0.5453117), wk = 0.0033557 k( 137) = ( 0.0571429 0.0329914 0.5453117), wk = 0.0033557 k( 138) = ( 0.0714286 0.0412393 0.5453117), wk = 0.0033557 k( 139) = ( 0.0857143 0.0494872 0.5453117), wk = 0.0033557 k( 140) = ( 0.1000000 0.0577350 0.5453117), wk = 0.0033557 k( 141) = ( 0.1142857 0.0659829 0.5453117), wk = 0.0033557 k( 142) = ( 0.1285714 0.0742307 0.5453117), wk = 0.0033557 k( 143) = ( 0.1428571 0.0824786 0.5453117), wk = 0.0033557 k( 144) = ( 0.1571429 0.0907265 0.5453117), wk = 0.0033557 k( 145) = ( 0.1714286 0.0989743 0.5453117), wk = 0.0033557 k( 146) = ( 0.1857143 0.1072222 0.5453117), wk = 0.0033557 k( 147) = ( 0.2000000 0.1154701 0.5453117), wk = 0.0033557 k( 148) = ( 0.2142857 0.1237179 0.5453117), wk = 0.0033557 k( 149) = ( 0.2285714 0.1319658 0.5453117), wk = 0.0033557 k( 150) = ( 0.2428571 0.1402136 0.5453117), wk = 0.0033557 k( 151) = ( 0.2571429 0.1484615 0.5453117), wk = 0.0033557 k( 152) = ( 0.2714286 0.1567094 0.5453117), wk = 0.0033557 k( 153) = ( 0.2857143 0.1649572 0.5453117), wk = 0.0033557 k( 154) = ( 0.3000000 0.1732051 0.5453117), wk = 0.0033557 k( 155) = ( 0.3142857 0.1814529 0.5453117), wk = 0.0033557 k( 156) = ( 0.3285714 0.1897008 0.5453117), wk = 0.0033557 k( 157) = ( 0.3428571 0.1979487 0.5453117), wk = 0.0033557 k( 158) = ( 0.3571429 0.2061965 0.5453117), wk = 0.0033557 k( 159) = ( 0.3714286 0.2144444 0.5453117), wk = 0.0033557 k( 160) = ( 0.3857143 0.2226922 0.5453117), wk = 0.0033557 k( 161) = ( 0.4000000 0.2309401 0.5453117), wk = 0.0033557 k( 162) = ( 0.4142857 0.2391880 0.5453117), wk = 0.0033557 k( 163) = ( 0.4285714 0.2474358 0.5453117), wk = 0.0033557 k( 164) = ( 0.4428571 0.2556837 0.5453117), wk = 0.0033557 k( 165) = ( 0.4571429 0.2639316 0.5453117), wk = 0.0033557 k( 166) = ( 0.4714286 0.2721794 0.5453117), wk = 0.0033557 k( 167) = ( 0.4857143 0.2804273 0.5453117), wk = 0.0033557 k( 168) = ( 0.5000000 0.2886751 0.5453117), wk = 0.0033557 k( 169) = ( 0.5000000 0.2886751 0.5453117), wk = 0.0033557 k( 170) = ( 0.4916667 0.3031089 0.5453117), wk = 0.0033557 k( 171) = ( 0.4833333 0.3175426 0.5453117), wk = 0.0033557 k( 172) = ( 0.4750000 0.3319764 0.5453117), wk = 0.0033557 k( 173) = ( 0.4666667 0.3464102 0.5453117), wk = 0.0033557 k( 174) = ( 0.4583333 0.3608439 0.5453117), wk = 0.0033557 k( 175) = ( 0.4500000 0.3752777 0.5453117), wk = 0.0033557 k( 176) = ( 0.4416667 0.3897114 0.5453117), wk = 0.0033557 k( 177) = ( 0.4333333 0.4041452 0.5453117), wk = 0.0033557 k( 178) = ( 0.4250000 0.4185789 0.5453117), wk = 0.0033557 k( 179) = ( 0.4166667 0.4330127 0.5453117), wk = 0.0033557 k( 180) = ( 0.4083333 0.4474465 0.5453117), wk = 0.0033557 k( 181) = ( 0.4000000 0.4618802 0.5453117), wk = 0.0033557 k( 182) = ( 0.3916667 0.4763140 0.5453117), wk = 0.0033557 k( 183) = ( 0.3833333 0.4907477 0.5453117), wk = 0.0033557 k( 184) = ( 0.3750000 0.5051815 0.5453117), wk = 0.0033557 k( 185) = ( 0.3666667 0.5196152 0.5453117), wk = 0.0033557 k( 186) = ( 0.3583333 0.5340490 0.5453117), wk = 0.0033557 k( 187) = ( 0.3500000 0.5484828 0.5453117), wk = 0.0033557 k( 188) = ( 0.3416667 0.5629165 0.5453117), wk = 0.0033557 k( 189) = ( 0.3333333 0.5773503 0.5453117), wk = 0.0033557 k( 190) = ( 0.3333333 0.5773503 0.5453117), wk = 0.0033557 k( 191) = ( 0.3250000 0.5629165 0.5453117), wk = 0.0033557 k( 192) = ( 0.3166667 0.5484828 0.5453117), wk = 0.0033557 k( 193) = ( 0.3083333 0.5340490 0.5453117), wk = 0.0033557 k( 194) = ( 0.3000000 0.5196152 0.5453117), wk = 0.0033557 k( 195) = ( 0.2916667 0.5051815 0.5453117), wk = 0.0033557 k( 196) = ( 0.2833333 0.4907477 0.5453117), wk = 0.0033557 k( 197) = ( 0.2750000 0.4763140 0.5453117), wk = 0.0033557 k( 198) = ( 0.2666667 0.4618802 0.5453117), wk = 0.0033557 k( 199) = ( 0.2583333 0.4474465 0.5453117), wk = 0.0033557 k( 200) = ( 0.2500000 0.4330127 0.5453117), wk = 0.0033557 k( 201) = ( 0.2416667 0.4185790 0.5453117), wk = 0.0033557 k( 202) = ( 0.2333333 0.4041452 0.5453117), wk = 0.0033557 k( 203) = ( 0.2250000 0.3897114 0.5453117), wk = 0.0033557 k( 204) = ( 0.2166667 0.3752777 0.5453117), wk = 0.0033557 k( 205) = ( 0.2083333 0.3608439 0.5453117), wk = 0.0033557 k( 206) = ( 0.2000000 0.3464102 0.5453117), wk = 0.0033557 k( 207) = ( 0.1916667 0.3319764 0.5453117), wk = 0.0033557 k( 208) = ( 0.1833333 0.3175426 0.5453117), wk = 0.0033557 k( 209) = ( 0.1750000 0.3031089 0.5453117), wk = 0.0033557 k( 210) = ( 0.1666667 0.2886751 0.5453117), wk = 0.0033557 k( 211) = ( 0.1583333 0.2742414 0.5453117), wk = 0.0033557 k( 212) = ( 0.1500000 0.2598076 0.5453117), wk = 0.0033557 k( 213) = ( 0.1416667 0.2453739 0.5453117), wk = 0.0033557 k( 214) = ( 0.1333333 0.2309401 0.5453117), wk = 0.0033557 k( 215) = ( 0.1250000 0.2165064 0.5453117), wk = 0.0033557 k( 216) = ( 0.1166667 0.2020726 0.5453117), wk = 0.0033557 k( 217) = ( 0.1083333 0.1876388 0.5453117), wk = 0.0033557 k( 218) = ( 0.1000000 0.1732051 0.5453117), wk = 0.0033557 k( 219) = ( 0.0916667 0.1587713 0.5453117), wk = 0.0033557 k( 220) = ( 0.0833333 0.1443376 0.5453117), wk = 0.0033557 k( 221) = ( 0.0750000 0.1299038 0.5453117), wk = 0.0033557 k( 222) = ( 0.0666667 0.1154701 0.5453117), wk = 0.0033557 k( 223) = ( 0.0583333 0.1010363 0.5453117), wk = 0.0033557 k( 224) = ( 0.0500000 0.0866025 0.5453117), wk = 0.0033557 k( 225) = ( 0.0416667 0.0721688 0.5453117), wk = 0.0033557 k( 226) = ( 0.0333333 0.0577350 0.5453117), wk = 0.0033557 k( 227) = ( 0.0250000 0.0433013 0.5453117), wk = 0.0033557 k( 228) = ( 0.0166667 0.0288675 0.5453117), wk = 0.0033557 k( 229) = ( 0.0083333 0.0144338 0.5453117), wk = 0.0033557 k( 230) = ( 0.0000000 0.0000000 0.5453117), wk = 0.0033557 k( 231) = ( 0.5000000 0.2886751 0.5453117), wk = 0.0033557 k( 232) = ( 0.5000000 0.2886751 0.5287871), wk = 0.0033557 k( 233) = ( 0.5000000 0.2886751 0.5122625), wk = 0.0033557 k( 234) = ( 0.5000000 0.2886751 0.4957379), wk = 0.0033557 k( 235) = ( 0.5000000 0.2886751 0.4792133), wk = 0.0033557 k( 236) = ( 0.5000000 0.2886751 0.4626887), wk = 0.0033557 k( 237) = ( 0.5000000 0.2886751 0.4461641), wk = 0.0033557 k( 238) = ( 0.5000000 0.2886751 0.4296395), wk = 0.0033557 k( 239) = ( 0.5000000 0.2886751 0.4131149), wk = 0.0033557 k( 240) = ( 0.5000000 0.2886751 0.3965903), wk = 0.0033557 k( 241) = ( 0.5000000 0.2886751 0.3800657), wk = 0.0033557 k( 242) = ( 0.5000000 0.2886751 0.3635411), wk = 0.0033557 k( 243) = ( 0.5000000 0.2886751 0.3470165), wk = 0.0033557 k( 244) = ( 0.5000000 0.2886751 0.3304919), wk = 0.0033557 k( 245) = ( 0.5000000 0.2886751 0.3139673), wk = 0.0033557 k( 246) = ( 0.5000000 0.2886751 0.2974427), wk = 0.0033557 k( 247) = ( 0.5000000 0.2886751 0.2809181), wk = 0.0033557 k( 248) = ( 0.5000000 0.2886751 0.2643935), wk = 0.0033557 k( 249) = ( 0.5000000 0.2886751 0.2478690), wk = 0.0033557 k( 250) = ( 0.5000000 0.2886751 0.2313443), wk = 0.0033557 k( 251) = ( 0.5000000 0.2886751 0.2148198), wk = 0.0033557 k( 252) = ( 0.5000000 0.2886751 0.1982952), wk = 0.0033557 k( 253) = ( 0.5000000 0.2886751 0.1817706), wk = 0.0033557 k( 254) = ( 0.5000000 0.2886751 0.1652460), wk = 0.0033557 k( 255) = ( 0.5000000 0.2886751 0.1487214), wk = 0.0033557 k( 256) = ( 0.5000000 0.2886751 0.1321968), wk = 0.0033557 k( 257) = ( 0.5000000 0.2886751 0.1156722), wk = 0.0033557 k( 258) = ( 0.5000000 0.2886751 0.0991476), wk = 0.0033557 k( 259) = ( 0.5000000 0.2886751 0.0826230), wk = 0.0033557 k( 260) = ( 0.5000000 0.2886751 0.0660984), wk = 0.0033557 k( 261) = ( 0.5000000 0.2886751 0.0495738), wk = 0.0033557 k( 262) = ( 0.5000000 0.2886751 0.0330492), wk = 0.0033557 k( 263) = ( 0.5000000 0.2886751 0.0165246), wk = 0.0033557 k( 264) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033557 k( 265) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033557 k( 266) = ( 0.3333333 0.5773503 0.0165246), wk = 0.0033557 k( 267) = ( 0.3333333 0.5773503 0.0330492), wk = 0.0033557 k( 268) = ( 0.3333333 0.5773503 0.0495738), wk = 0.0033557 k( 269) = ( 0.3333333 0.5773503 0.0660984), wk = 0.0033557 k( 270) = ( 0.3333333 0.5773503 0.0826230), wk = 0.0033557 k( 271) = ( 0.3333333 0.5773503 0.0991476), wk = 0.0033557 k( 272) = ( 0.3333333 0.5773503 0.1156722), wk = 0.0033557 k( 273) = ( 0.3333333 0.5773503 0.1321968), wk = 0.0033557 k( 274) = ( 0.3333333 0.5773503 0.1487214), wk = 0.0033557 k( 275) = ( 0.3333333 0.5773503 0.1652460), wk = 0.0033557 k( 276) = ( 0.3333333 0.5773503 0.1817706), wk = 0.0033557 k( 277) = ( 0.3333333 0.5773503 0.1982952), wk = 0.0033557 k( 278) = ( 0.3333333 0.5773503 0.2148198), wk = 0.0033557 k( 279) = ( 0.3333333 0.5773503 0.2313443), wk = 0.0033557 k( 280) = ( 0.3333333 0.5773503 0.2478690), wk = 0.0033557 k( 281) = ( 0.3333333 0.5773503 0.2643935), wk = 0.0033557 k( 282) = ( 0.3333333 0.5773503 0.2809181), wk = 0.0033557 k( 283) = ( 0.3333333 0.5773503 0.2974427), wk = 0.0033557 k( 284) = ( 0.3333333 0.5773503 0.3139673), wk = 0.0033557 k( 285) = ( 0.3333333 0.5773503 0.3304919), wk = 0.0033557 k( 286) = ( 0.3333333 0.5773503 0.3470165), wk = 0.0033557 k( 287) = ( 0.3333333 0.5773503 0.3635411), wk = 0.0033557 k( 288) = ( 0.3333333 0.5773503 0.3800657), wk = 0.0033557 k( 289) = ( 0.3333333 0.5773503 0.3965903), wk = 0.0033557 k( 290) = ( 0.3333333 0.5773503 0.4131149), wk = 0.0033557 k( 291) = ( 0.3333333 0.5773503 0.4296395), wk = 0.0033557 k( 292) = ( 0.3333333 0.5773503 0.4461641), wk = 0.0033557 k( 293) = ( 0.3333333 0.5773503 0.4626887), wk = 0.0033557 k( 294) = ( 0.3333333 0.5773503 0.4792133), wk = 0.0033557 k( 295) = ( 0.3333333 0.5773503 0.4957379), wk = 0.0033557 k( 296) = ( 0.3333333 0.5773503 0.5122625), wk = 0.0033557 k( 297) = ( 0.3333333 0.5773503 0.5287871), wk = 0.0033557 k( 298) = ( 0.3333333 0.5773503 0.5453117), wk = 0.0033557 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033557 k( 2) = ( 0.0142857 -0.0000000 -0.0000000), wk = 0.0033557 k( 3) = ( 0.0285714 -0.0000000 0.0000000), wk = 0.0033557 k( 4) = ( 0.0428571 -0.0000000 -0.0000000), wk = 0.0033557 k( 5) = ( 0.0571429 -0.0000000 0.0000000), wk = 0.0033557 k( 6) = ( 0.0714286 -0.0000000 0.0000000), wk = 0.0033557 k( 7) = ( 0.0857143 -0.0000000 -0.0000000), wk = 0.0033557 k( 8) = ( 0.1000000 -0.0000000 0.0000000), wk = 0.0033557 k( 9) = ( 0.1142857 -0.0000000 0.0000000), wk = 0.0033557 k( 10) = ( 0.1285714 -0.0000000 0.0000000), wk = 0.0033557 k( 11) = ( 0.1428571 -0.0000000 0.0000000), wk = 0.0033557 k( 12) = ( 0.1571429 -0.0000000 -0.0000000), wk = 0.0033557 k( 13) = ( 0.1714286 -0.0000000 -0.0000000), wk = 0.0033557 k( 14) = ( 0.1857143 -0.0000000 0.0000000), wk = 0.0033557 k( 15) = ( 0.2000000 -0.0000000 0.0000000), wk = 0.0033557 k( 16) = ( 0.2142857 -0.0000000 0.0000000), wk = 0.0033557 k( 17) = ( 0.2285714 -0.0000000 0.0000000), wk = 0.0033557 k( 18) = ( 0.2428571 -0.0000000 0.0000000), wk = 0.0033557 k( 19) = ( 0.2571429 -0.0000000 0.0000000), wk = 0.0033557 k( 20) = ( 0.2714286 -0.0000000 0.0000000), wk = 0.0033557 k( 21) = ( 0.2857143 -0.0000000 0.0000000), wk = 0.0033557 k( 22) = ( 0.3000000 -0.0000000 0.0000000), wk = 0.0033557 k( 23) = ( 0.3142857 -0.0000000 0.0000000), wk = 0.0033557 k( 24) = ( 0.3285714 -0.0000000 -0.0000000), wk = 0.0033557 k( 25) = ( 0.3428571 -0.0000000 -0.0000000), wk = 0.0033557 k( 26) = ( 0.3571429 -0.0000000 0.0000000), wk = 0.0033557 k( 27) = ( 0.3714286 -0.0000000 0.0000000), wk = 0.0033557 k( 28) = ( 0.3857143 -0.0000000 0.0000000), wk = 0.0033557 k( 29) = ( 0.4000000 -0.0000000 0.0000000), wk = 0.0033557 k( 30) = ( 0.4142857 -0.0000000 0.0000000), wk = 0.0033557 k( 31) = ( 0.4285714 -0.0000000 0.0000000), wk = 0.0033557 k( 32) = ( 0.4428571 -0.0000000 0.0000000), wk = 0.0033557 k( 33) = ( 0.4571429 -0.0000000 0.0000000), wk = 0.0033557 k( 34) = ( 0.4714286 -0.0000000 0.0000000), wk = 0.0033557 k( 35) = ( 0.4857143 -0.0000000 0.0000000), wk = 0.0033557 k( 36) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0033557 k( 37) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0033557 k( 38) = ( 0.4916667 0.0166667 0.0000000), wk = 0.0033557 k( 39) = ( 0.4833333 0.0333333 0.0000000), wk = 0.0033557 k( 40) = ( 0.4750000 0.0500000 0.0000000), wk = 0.0033557 k( 41) = ( 0.4666667 0.0666667 0.0000000), wk = 0.0033557 k( 42) = ( 0.4583333 0.0833333 0.0000000), wk = 0.0033557 k( 43) = ( 0.4500000 0.1000000 0.0000000), wk = 0.0033557 k( 44) = ( 0.4416667 0.1166667 0.0000000), wk = 0.0033557 k( 45) = ( 0.4333333 0.1333333 0.0000000), wk = 0.0033557 k( 46) = ( 0.4250000 0.1500000 0.0000000), wk = 0.0033557 k( 47) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0033557 k( 48) = ( 0.4083333 0.1833333 0.0000000), wk = 0.0033557 k( 49) = ( 0.4000000 0.2000000 0.0000000), wk = 0.0033557 k( 50) = ( 0.3916667 0.2166667 0.0000000), wk = 0.0033557 k( 51) = ( 0.3833333 0.2333333 -0.0000000), wk = 0.0033557 k( 52) = ( 0.3750000 0.2500000 -0.0000000), wk = 0.0033557 k( 53) = ( 0.3666667 0.2666667 0.0000000), wk = 0.0033557 k( 54) = ( 0.3583333 0.2833333 -0.0000000), wk = 0.0033557 k( 55) = ( 0.3500000 0.3000000 0.0000000), wk = 0.0033557 k( 56) = ( 0.3416667 0.3166667 0.0000000), wk = 0.0033557 k( 57) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0033557 k( 58) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0033557 k( 59) = ( 0.3250000 0.3250000 0.0000000), wk = 0.0033557 k( 60) = ( 0.3166667 0.3166667 0.0000000), wk = 0.0033557 k( 61) = ( 0.3083333 0.3083333 -0.0000000), wk = 0.0033557 k( 62) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0033557 k( 63) = ( 0.2916667 0.2916667 0.0000000), wk = 0.0033557 k( 64) = ( 0.2833333 0.2833333 0.0000000), wk = 0.0033557 k( 65) = ( 0.2750000 0.2750000 0.0000000), wk = 0.0033557 k( 66) = ( 0.2666667 0.2666667 -0.0000000), wk = 0.0033557 k( 67) = ( 0.2583333 0.2583333 -0.0000000), wk = 0.0033557 k( 68) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0033557 k( 69) = ( 0.2416667 0.2416667 -0.0000000), wk = 0.0033557 k( 70) = ( 0.2333333 0.2333333 0.0000000), wk = 0.0033557 k( 71) = ( 0.2250000 0.2250000 -0.0000000), wk = 0.0033557 k( 72) = ( 0.2166667 0.2166667 0.0000000), wk = 0.0033557 k( 73) = ( 0.2083333 0.2083333 -0.0000000), wk = 0.0033557 k( 74) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0033557 k( 75) = ( 0.1916667 0.1916667 0.0000000), wk = 0.0033557 k( 76) = ( 0.1833333 0.1833333 0.0000000), wk = 0.0033557 k( 77) = ( 0.1750000 0.1750000 -0.0000000), wk = 0.0033557 k( 78) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0033557 k( 79) = ( 0.1583333 0.1583333 0.0000000), wk = 0.0033557 k( 80) = ( 0.1500000 0.1500000 -0.0000000), wk = 0.0033557 k( 81) = ( 0.1416667 0.1416667 0.0000000), wk = 0.0033557 k( 82) = ( 0.1333333 0.1333333 -0.0000000), wk = 0.0033557 k( 83) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0033557 k( 84) = ( 0.1166667 0.1166667 0.0000000), wk = 0.0033557 k( 85) = ( 0.1083333 0.1083333 0.0000000), wk = 0.0033557 k( 86) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0033557 k( 87) = ( 0.0916667 0.0916667 0.0000000), wk = 0.0033557 k( 88) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0033557 k( 89) = ( 0.0750000 0.0750000 -0.0000000), wk = 0.0033557 k( 90) = ( 0.0666667 0.0666667 -0.0000000), wk = 0.0033557 k( 91) = ( 0.0583333 0.0583333 -0.0000000), wk = 0.0033557 k( 92) = ( 0.0500000 0.0500000 0.0000000), wk = 0.0033557 k( 93) = ( 0.0416667 0.0416667 0.0000000), wk = 0.0033557 k( 94) = ( 0.0333333 0.0333333 -0.0000000), wk = 0.0033557 k( 95) = ( 0.0250000 0.0250000 0.0000000), wk = 0.0033557 k( 96) = ( 0.0166667 0.0166667 0.0000000), wk = 0.0033557 k( 97) = ( 0.0083333 0.0083333 0.0000000), wk = 0.0033557 k( 98) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033557 k( 99) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033557 k( 100) = ( 0.0000000 0.0000000 0.0151515), wk = 0.0033557 k( 101) = ( 0.0000000 0.0000000 0.0303030), wk = 0.0033557 k( 102) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0033557 k( 103) = ( 0.0000000 0.0000000 0.0606061), wk = 0.0033557 k( 104) = ( 0.0000000 0.0000000 0.0757576), wk = 0.0033557 k( 105) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0033557 k( 106) = ( 0.0000000 0.0000000 0.1060606), wk = 0.0033557 k( 107) = ( 0.0000000 0.0000000 0.1212121), wk = 0.0033557 k( 108) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0033557 k( 109) = ( 0.0000000 0.0000000 0.1515151), wk = 0.0033557 k( 110) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0033557 k( 111) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0033557 k( 112) = ( 0.0000000 0.0000000 0.1969697), wk = 0.0033557 k( 113) = ( 0.0000000 0.0000000 0.2121212), wk = 0.0033557 k( 114) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0033557 k( 115) = ( 0.0000000 0.0000000 0.2424242), wk = 0.0033557 k( 116) = ( 0.0000000 0.0000000 0.2575758), wk = 0.0033557 k( 117) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0033557 k( 118) = ( 0.0000000 0.0000000 0.2878788), wk = 0.0033557 k( 119) = ( 0.0000000 0.0000000 0.3030303), wk = 0.0033557 k( 120) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0033557 k( 121) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0033557 k( 122) = ( 0.0000000 0.0000000 0.3484849), wk = 0.0033557 k( 123) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0033557 k( 124) = ( 0.0000000 0.0000000 0.3787879), wk = 0.0033557 k( 125) = ( 0.0000000 0.0000000 0.3939394), wk = 0.0033557 k( 126) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0033557 k( 127) = ( 0.0000000 0.0000000 0.4242424), wk = 0.0033557 k( 128) = ( 0.0000000 0.0000000 0.4393939), wk = 0.0033557 k( 129) = ( 0.0000000 0.0000000 0.4545454), wk = 0.0033557 k( 130) = ( 0.0000000 0.0000000 0.4696970), wk = 0.0033557 k( 131) = ( 0.0000000 0.0000000 0.4848485), wk = 0.0033557 k( 132) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033557 k( 133) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033557 k( 134) = ( 0.0142857 -0.0000000 0.5000000), wk = 0.0033557 k( 135) = ( 0.0285714 -0.0000000 0.5000000), wk = 0.0033557 k( 136) = ( 0.0428571 -0.0000000 0.5000000), wk = 0.0033557 k( 137) = ( 0.0571429 -0.0000000 0.5000000), wk = 0.0033557 k( 138) = ( 0.0714286 -0.0000000 0.5000000), wk = 0.0033557 k( 139) = ( 0.0857143 -0.0000000 0.5000000), wk = 0.0033557 k( 140) = ( 0.1000000 -0.0000000 0.5000000), wk = 0.0033557 k( 141) = ( 0.1142857 -0.0000000 0.5000000), wk = 0.0033557 k( 142) = ( 0.1285714 -0.0000000 0.5000000), wk = 0.0033557 k( 143) = ( 0.1428571 -0.0000000 0.5000000), wk = 0.0033557 k( 144) = ( 0.1571429 -0.0000000 0.5000000), wk = 0.0033557 k( 145) = ( 0.1714286 -0.0000000 0.5000000), wk = 0.0033557 k( 146) = ( 0.1857143 -0.0000000 0.5000000), wk = 0.0033557 k( 147) = ( 0.2000000 -0.0000000 0.5000000), wk = 0.0033557 k( 148) = ( 0.2142857 -0.0000000 0.5000000), wk = 0.0033557 k( 149) = ( 0.2285714 -0.0000000 0.5000000), wk = 0.0033557 k( 150) = ( 0.2428571 -0.0000000 0.5000000), wk = 0.0033557 k( 151) = ( 0.2571429 -0.0000000 0.5000000), wk = 0.0033557 k( 152) = ( 0.2714286 -0.0000000 0.5000000), wk = 0.0033557 k( 153) = ( 0.2857143 -0.0000000 0.5000000), wk = 0.0033557 k( 154) = ( 0.3000000 -0.0000000 0.5000000), wk = 0.0033557 k( 155) = ( 0.3142857 -0.0000000 0.5000000), wk = 0.0033557 k( 156) = ( 0.3285714 -0.0000000 0.5000000), wk = 0.0033557 k( 157) = ( 0.3428571 -0.0000000 0.5000000), wk = 0.0033557 k( 158) = ( 0.3571429 -0.0000000 0.5000000), wk = 0.0033557 k( 159) = ( 0.3714286 -0.0000000 0.5000000), wk = 0.0033557 k( 160) = ( 0.3857143 -0.0000000 0.5000000), wk = 0.0033557 k( 161) = ( 0.4000000 -0.0000000 0.5000000), wk = 0.0033557 k( 162) = ( 0.4142857 -0.0000000 0.5000000), wk = 0.0033557 k( 163) = ( 0.4285714 -0.0000000 0.5000000), wk = 0.0033557 k( 164) = ( 0.4428571 -0.0000000 0.5000000), wk = 0.0033557 k( 165) = ( 0.4571429 -0.0000000 0.5000000), wk = 0.0033557 k( 166) = ( 0.4714286 -0.0000000 0.5000000), wk = 0.0033557 k( 167) = ( 0.4857143 -0.0000000 0.5000000), wk = 0.0033557 k( 168) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0033557 k( 169) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0033557 k( 170) = ( 0.4916667 0.0166667 0.5000000), wk = 0.0033557 k( 171) = ( 0.4833333 0.0333333 0.5000000), wk = 0.0033557 k( 172) = ( 0.4750000 0.0500000 0.5000000), wk = 0.0033557 k( 173) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0033557 k( 174) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0033557 k( 175) = ( 0.4500000 0.1000000 0.5000000), wk = 0.0033557 k( 176) = ( 0.4416667 0.1166667 0.5000000), wk = 0.0033557 k( 177) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0033557 k( 178) = ( 0.4250000 0.1500000 0.5000000), wk = 0.0033557 k( 179) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0033557 k( 180) = ( 0.4083333 0.1833333 0.5000000), wk = 0.0033557 k( 181) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0033557 k( 182) = ( 0.3916667 0.2166667 0.5000000), wk = 0.0033557 k( 183) = ( 0.3833333 0.2333333 0.5000000), wk = 0.0033557 k( 184) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0033557 k( 185) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0033557 k( 186) = ( 0.3583333 0.2833333 0.5000000), wk = 0.0033557 k( 187) = ( 0.3500000 0.3000000 0.5000000), wk = 0.0033557 k( 188) = ( 0.3416667 0.3166667 0.5000000), wk = 0.0033557 k( 189) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033557 k( 190) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033557 k( 191) = ( 0.3250000 0.3250000 0.5000000), wk = 0.0033557 k( 192) = ( 0.3166667 0.3166667 0.5000000), wk = 0.0033557 k( 193) = ( 0.3083333 0.3083333 0.5000000), wk = 0.0033557 k( 194) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0033557 k( 195) = ( 0.2916667 0.2916667 0.5000000), wk = 0.0033557 k( 196) = ( 0.2833333 0.2833333 0.5000000), wk = 0.0033557 k( 197) = ( 0.2750000 0.2750000 0.5000000), wk = 0.0033557 k( 198) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0033557 k( 199) = ( 0.2583333 0.2583333 0.5000000), wk = 0.0033557 k( 200) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0033557 k( 201) = ( 0.2416667 0.2416667 0.5000000), wk = 0.0033557 k( 202) = ( 0.2333333 0.2333333 0.5000000), wk = 0.0033557 k( 203) = ( 0.2250000 0.2250000 0.5000000), wk = 0.0033557 k( 204) = ( 0.2166667 0.2166667 0.5000000), wk = 0.0033557 k( 205) = ( 0.2083333 0.2083333 0.5000000), wk = 0.0033557 k( 206) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0033557 k( 207) = ( 0.1916667 0.1916667 0.5000000), wk = 0.0033557 k( 208) = ( 0.1833333 0.1833333 0.5000000), wk = 0.0033557 k( 209) = ( 0.1750000 0.1750000 0.5000000), wk = 0.0033557 k( 210) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0033557 k( 211) = ( 0.1583333 0.1583333 0.5000000), wk = 0.0033557 k( 212) = ( 0.1500000 0.1500000 0.5000000), wk = 0.0033557 k( 213) = ( 0.1416667 0.1416667 0.5000000), wk = 0.0033557 k( 214) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0033557 k( 215) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0033557 k( 216) = ( 0.1166667 0.1166667 0.5000000), wk = 0.0033557 k( 217) = ( 0.1083333 0.1083333 0.5000000), wk = 0.0033557 k( 218) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0033557 k( 219) = ( 0.0916667 0.0916667 0.5000000), wk = 0.0033557 k( 220) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0033557 k( 221) = ( 0.0750000 0.0750000 0.5000000), wk = 0.0033557 k( 222) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0033557 k( 223) = ( 0.0583333 0.0583333 0.5000000), wk = 0.0033557 k( 224) = ( 0.0500000 0.0500000 0.5000000), wk = 0.0033557 k( 225) = ( 0.0416667 0.0416667 0.5000000), wk = 0.0033557 k( 226) = ( 0.0333333 0.0333333 0.5000000), wk = 0.0033557 k( 227) = ( 0.0250000 0.0250000 0.5000000), wk = 0.0033557 k( 228) = ( 0.0166667 0.0166667 0.5000000), wk = 0.0033557 k( 229) = ( 0.0083333 0.0083333 0.5000000), wk = 0.0033557 k( 230) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033557 k( 231) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0033557 k( 232) = ( 0.5000000 -0.0000000 0.4848485), wk = 0.0033557 k( 233) = ( 0.5000000 -0.0000000 0.4696970), wk = 0.0033557 k( 234) = ( 0.5000000 -0.0000000 0.4545454), wk = 0.0033557 k( 235) = ( 0.5000000 -0.0000000 0.4393939), wk = 0.0033557 k( 236) = ( 0.5000000 -0.0000000 0.4242424), wk = 0.0033557 k( 237) = ( 0.5000000 -0.0000000 0.4090909), wk = 0.0033557 k( 238) = ( 0.5000000 -0.0000000 0.3939394), wk = 0.0033557 k( 239) = ( 0.5000000 -0.0000000 0.3787879), wk = 0.0033557 k( 240) = ( 0.5000000 -0.0000000 0.3636364), wk = 0.0033557 k( 241) = ( 0.5000000 -0.0000000 0.3484849), wk = 0.0033557 k( 242) = ( 0.5000000 -0.0000000 0.3333333), wk = 0.0033557 k( 243) = ( 0.5000000 -0.0000000 0.3181818), wk = 0.0033557 k( 244) = ( 0.5000000 -0.0000000 0.3030303), wk = 0.0033557 k( 245) = ( 0.5000000 -0.0000000 0.2878788), wk = 0.0033557 k( 246) = ( 0.5000000 -0.0000000 0.2727273), wk = 0.0033557 k( 247) = ( 0.5000000 -0.0000000 0.2575758), wk = 0.0033557 k( 248) = ( 0.5000000 -0.0000000 0.2424242), wk = 0.0033557 k( 249) = ( 0.5000000 -0.0000000 0.2272727), wk = 0.0033557 k( 250) = ( 0.5000000 -0.0000000 0.2121212), wk = 0.0033557 k( 251) = ( 0.5000000 -0.0000000 0.1969697), wk = 0.0033557 k( 252) = ( 0.5000000 -0.0000000 0.1818182), wk = 0.0033557 k( 253) = ( 0.5000000 -0.0000000 0.1666667), wk = 0.0033557 k( 254) = ( 0.5000000 -0.0000000 0.1515151), wk = 0.0033557 k( 255) = ( 0.5000000 -0.0000000 0.1363636), wk = 0.0033557 k( 256) = ( 0.5000000 -0.0000000 0.1212121), wk = 0.0033557 k( 257) = ( 0.5000000 -0.0000000 0.1060606), wk = 0.0033557 k( 258) = ( 0.5000000 -0.0000000 0.0909091), wk = 0.0033557 k( 259) = ( 0.5000000 -0.0000000 0.0757576), wk = 0.0033557 k( 260) = ( 0.5000000 -0.0000000 0.0606061), wk = 0.0033557 k( 261) = ( 0.5000000 -0.0000000 0.0454546), wk = 0.0033557 k( 262) = ( 0.5000000 -0.0000000 0.0303030), wk = 0.0033557 k( 263) = ( 0.5000000 -0.0000000 0.0151515), wk = 0.0033557 k( 264) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0033557 k( 265) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0033557 k( 266) = ( 0.3333333 0.3333333 0.0151515), wk = 0.0033557 k( 267) = ( 0.3333333 0.3333333 0.0303030), wk = 0.0033557 k( 268) = ( 0.3333333 0.3333333 0.0454546), wk = 0.0033557 k( 269) = ( 0.3333333 0.3333333 0.0606061), wk = 0.0033557 k( 270) = ( 0.3333333 0.3333333 0.0757576), wk = 0.0033557 k( 271) = ( 0.3333333 0.3333333 0.0909091), wk = 0.0033557 k( 272) = ( 0.3333333 0.3333333 0.1060606), wk = 0.0033557 k( 273) = ( 0.3333333 0.3333333 0.1212121), wk = 0.0033557 k( 274) = ( 0.3333333 0.3333333 0.1363636), wk = 0.0033557 k( 275) = ( 0.3333333 0.3333333 0.1515151), wk = 0.0033557 k( 276) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0033557 k( 277) = ( 0.3333333 0.3333333 0.1818182), wk = 0.0033557 k( 278) = ( 0.3333333 0.3333333 0.1969697), wk = 0.0033557 k( 279) = ( 0.3333333 0.3333333 0.2121212), wk = 0.0033557 k( 280) = ( 0.3333333 0.3333333 0.2272727), wk = 0.0033557 k( 281) = ( 0.3333333 0.3333333 0.2424242), wk = 0.0033557 k( 282) = ( 0.3333333 0.3333333 0.2575758), wk = 0.0033557 k( 283) = ( 0.3333333 0.3333333 0.2727273), wk = 0.0033557 k( 284) = ( 0.3333333 0.3333333 0.2878788), wk = 0.0033557 k( 285) = ( 0.3333333 0.3333333 0.3030303), wk = 0.0033557 k( 286) = ( 0.3333333 0.3333333 0.3181818), wk = 0.0033557 k( 287) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0033557 k( 288) = ( 0.3333333 0.3333333 0.3484848), wk = 0.0033557 k( 289) = ( 0.3333333 0.3333333 0.3636364), wk = 0.0033557 k( 290) = ( 0.3333333 0.3333333 0.3787879), wk = 0.0033557 k( 291) = ( 0.3333333 0.3333333 0.3939394), wk = 0.0033557 k( 292) = ( 0.3333333 0.3333333 0.4090909), wk = 0.0033557 k( 293) = ( 0.3333333 0.3333333 0.4242424), wk = 0.0033557 k( 294) = ( 0.3333333 0.3333333 0.4393939), wk = 0.0033557 k( 295) = ( 0.3333333 0.3333333 0.4545455), wk = 0.0033557 k( 296) = ( 0.3333333 0.3333333 0.4696970), wk = 0.0033557 k( 297) = ( 0.3333333 0.3333333 0.4848485), wk = 0.0033557 k( 298) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033557 Dense grid: 210199 G-vectors FFT dimensions: ( 80, 80, 75) Smooth grid: 33663 G-vectors FFT dimensions: ( 45, 45, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.26 Mb ( 248, 70) NL pseudopotentials 0.35 Mb ( 124, 186) Each V/rho on FFT grid 0.29 Mb ( 19200) Each G-vector array 0.04 Mb ( 5839) G-vector shells 0.02 Mb ( 2521) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.06 Mb ( 248, 280) Each subspace H/S matrix 0.07 Mb ( 70, 70) Each matrix 0.40 Mb ( 186, 2, 70) The potential is recalculated from file : ./CdxSbO3x2.save/charge-density.dat Starting wfc are 82 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 5.6 secs Computing kpt #: 2 total cpu time spent up to now is 6.9 secs Computing kpt #: 3 total cpu time spent up to now is 7.9 secs Computing kpt #: 4 total cpu time spent up to now is 9.2 secs Computing kpt #: 5 total cpu time spent up to now is 10.3 secs Computing kpt #: 6 total cpu time spent up to now is 11.4 secs Computing kpt #: 7 total cpu time spent up to now is 12.5 secs Computing kpt #: 8 total cpu time spent up to now is 13.4 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 15.3 secs Computing kpt #: 11 total cpu time spent up to now is 16.3 secs Computing kpt #: 12 total cpu time spent up to now is 17.3 secs Computing kpt #: 13 total cpu time spent up to now is 18.4 secs Computing kpt #: 14 total cpu time spent up to now is 19.6 secs Computing kpt #: 15 total cpu time spent up to now is 20.6 secs Computing kpt #: 16 total cpu time spent up to now is 21.8 secs Computing kpt #: 17 total cpu time spent up to now is 23.0 secs Computing kpt #: 18 total cpu time spent up to now is 24.1 secs Computing kpt #: 19 total cpu time spent up to now is 25.3 secs Computing kpt #: 20 total cpu time spent up to now is 26.6 secs Computing kpt #: 21 total cpu time spent up to now is 27.9 secs Computing kpt #: 22 total cpu time spent up to now is 29.2 secs Computing kpt #: 23 total cpu time spent up to now is 30.5 secs Computing kpt #: 24 total cpu time spent up to now is 31.8 secs Computing kpt #: 25 total cpu time spent up to now is 33.1 secs Computing kpt #: 26 total cpu time spent up to now is 34.5 secs Computing kpt #: 27 total cpu time spent up to now is 35.7 secs Computing kpt #: 28 total cpu time spent up to now is 37.1 secs Computing kpt #: 29 total cpu time spent up to now is 38.4 secs Computing kpt #: 30 total cpu time spent up to now is 40.0 secs Computing kpt #: 31 total cpu time spent up to now is 41.5 secs Computing kpt #: 32 total cpu time spent up to now is 43.0 secs Computing kpt #: 33 total cpu time spent up to now is 44.5 secs Computing kpt #: 34 total cpu time spent up to now is 45.8 secs Computing kpt #: 35 total cpu time spent up to now is 47.1 secs Computing kpt #: 36 total cpu time spent up to now is 48.4 secs Computing kpt #: 37 total cpu time spent up to now is 49.6 secs Computing kpt #: 38 total cpu time spent up to now is 50.9 secs Computing kpt #: 39 total cpu time spent up to now is 52.2 secs Computing kpt #: 40 total cpu time spent up to now is 53.8 secs Computing kpt #: 41 total cpu time spent up to now is 55.1 secs Computing kpt #: 42 total cpu time spent up to now is 56.7 secs Computing kpt #: 43 total cpu time spent up to now is 58.2 secs Computing kpt #: 44 total cpu time spent up to now is 60.0 secs Computing kpt #: 45 total cpu time spent up to now is 61.8 secs Computing kpt #: 46 total cpu time spent up to now is 63.7 secs Computing kpt #: 47 total cpu time spent up to now is 65.6 secs Computing kpt #: 48 total cpu time spent up to now is 67.5 secs Computing kpt #: 49 total cpu time spent up to now is 69.5 secs Computing kpt #: 50 total cpu time spent up to now is 71.7 secs Computing kpt #: 51 total cpu time spent up to now is 73.9 secs Computing kpt #: 52 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 76.2 secs Computing kpt #: 53 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 78.5 secs Computing kpt #: 54 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 80.9 secs Computing kpt #: 55 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 83.3 secs Computing kpt #: 56 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 85.6 secs Computing kpt #: 57 total cpu time spent up to now is 87.1 secs Computing kpt #: 58 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 89.4 secs Computing kpt #: 59 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 91.8 secs Computing kpt #: 60 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 94.1 secs Computing kpt #: 61 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 96.5 secs Computing kpt #: 62 total cpu time spent up to now is 98.5 secs Computing kpt #: 63 total cpu time spent up to now is 100.3 secs Computing kpt #: 64 total cpu time spent up to now is 101.9 secs Computing kpt #: 65 total cpu time spent up to now is 103.4 secs Computing kpt #: 66 total cpu time spent up to now is 104.8 secs Computing kpt #: 67 total cpu time spent up to now is 106.1 secs Computing kpt #: 68 total cpu time spent up to now is 107.3 secs Computing kpt #: 69 total cpu time spent up to now is 108.6 secs Computing kpt #: 70 total cpu time spent up to now is 109.8 secs Computing kpt #: 71 total cpu time spent up to now is 111.0 secs Computing kpt #: 72 total cpu time spent up to now is 112.2 secs Computing kpt #: 73 total cpu time spent up to now is 113.4 secs Computing kpt #: 74 total cpu time spent up to now is 114.4 secs Computing kpt #: 75 total cpu time spent up to now is 115.6 secs Computing kpt #: 76 total cpu time spent up to now is 116.6 secs Computing kpt #: 77 total cpu time spent up to now is 117.8 secs Computing kpt #: 78 total cpu time spent up to now is 118.9 secs Computing kpt #: 79 total cpu time spent up to now is 119.9 secs Computing kpt #: 80 total cpu time spent up to now is 120.9 secs Computing kpt #: 81 total cpu time spent up to now is 122.0 secs Computing kpt #: 82 total cpu time spent up to now is 123.1 secs Computing kpt #: 83 total cpu time spent up to now is 124.1 secs Computing kpt #: 84 total cpu time spent up to now is 125.2 secs Computing kpt #: 85 total cpu time spent up to now is 126.2 secs Computing kpt #: 86 total cpu time spent up to now is 127.3 secs Computing kpt #: 87 total cpu time spent up to now is 128.2 secs Computing kpt #: 88 total cpu time spent up to now is 129.1 secs Computing kpt #: 89 total cpu time spent up to now is 130.2 secs Computing kpt #: 90 total cpu time spent up to now is 131.1 secs Computing kpt #: 91 total cpu time spent up to now is 131.8 secs Computing kpt #: 92 total cpu time spent up to now is 132.8 secs Computing kpt #: 93 total cpu time spent up to now is 133.7 secs Computing kpt #: 94 total cpu time spent up to now is 134.6 secs Computing kpt #: 95 total cpu time spent up to now is 135.8 secs Computing kpt #: 96 total cpu time spent up to now is 136.9 secs Computing kpt #: 97 total cpu time spent up to now is 137.8 secs Computing kpt #: 98 total cpu time spent up to now is 138.6 secs Computing kpt #: 99 total cpu time spent up to now is 139.6 secs Computing kpt #: 100 total cpu time spent up to now is 140.8 secs Computing kpt #: 101 total cpu time spent up to now is 142.0 secs Computing kpt #: 102 total cpu time spent up to now is 143.2 secs Computing kpt #: 103 total cpu time spent up to now is 144.9 secs Computing kpt #: 104 total cpu time spent up to now is 146.5 secs Computing kpt #: 105 total cpu time spent up to now is 148.2 secs Computing kpt #: 106 total cpu time spent up to now is 149.9 secs Computing kpt #: 107 total cpu time spent up to now is 151.6 secs Computing kpt #: 108 total cpu time spent up to now is 153.3 secs Computing kpt #: 109 total cpu time spent up to now is 155.1 secs Computing kpt #: 110 total cpu time spent up to now is 156.6 secs Computing kpt #: 111 total cpu time spent up to now is 158.4 secs Computing kpt #: 112 total cpu time spent up to now is 159.9 secs Computing kpt #: 113 total cpu time spent up to now is 161.4 secs Computing kpt #: 114 total cpu time spent up to now is 163.0 secs Computing kpt #: 115 total cpu time spent up to now is 164.7 secs Computing kpt #: 116 total cpu time spent up to now is 166.0 secs Computing kpt #: 117 total cpu time spent up to now is 167.2 secs Computing kpt #: 118 total cpu time spent up to now is 168.2 secs Computing kpt #: 119 total cpu time spent up to now is 169.4 secs Computing kpt #: 120 total cpu time spent up to now is 170.6 secs Computing kpt #: 121 total cpu time spent up to now is 171.6 secs Computing kpt #: 122 total cpu time spent up to now is 172.6 secs Computing kpt #: 123 total cpu time spent up to now is 173.5 secs Computing kpt #: 124 total cpu time spent up to now is 174.4 secs Computing kpt #: 125 total cpu time spent up to now is 175.3 secs Computing kpt #: 126 total cpu time spent up to now is 176.2 secs Computing kpt #: 127 total cpu time spent up to now is 177.0 secs Computing kpt #: 128 total cpu time spent up to now is 177.9 secs Computing kpt #: 129 total cpu time spent up to now is 178.8 secs Computing kpt #: 130 total cpu time spent up to now is 179.5 secs Computing kpt #: 131 total cpu time spent up to now is 180.4 secs Computing kpt #: 132 total cpu time spent up to now is 181.2 secs Computing kpt #: 133 total cpu time spent up to now is 181.9 secs Computing kpt #: 134 total cpu time spent up to now is 182.8 secs Computing kpt #: 135 total cpu time spent up to now is 183.7 secs Computing kpt #: 136 total cpu time spent up to now is 184.5 secs Computing kpt #: 137 total cpu time spent up to now is 185.3 secs Computing kpt #: 138 total cpu time spent up to now is 186.2 secs Computing kpt #: 139 total cpu time spent up to now is 187.1 secs Computing kpt #: 140 total cpu time spent up to now is 188.1 secs Computing kpt #: 141 total cpu time spent up to now is 189.0 secs Computing kpt #: 142 total cpu time spent up to now is 189.9 secs Computing kpt #: 143 total cpu time spent up to now is 191.0 secs Computing kpt #: 144 total cpu time spent up to now is 191.9 secs Computing kpt #: 145 total cpu time spent up to now is 193.1 secs Computing kpt #: 146 total cpu time spent up to now is 194.3 secs Computing kpt #: 147 total cpu time spent up to now is 195.6 secs Computing kpt #: 148 total cpu time spent up to now is 196.9 secs Computing kpt #: 149 total cpu time spent up to now is 198.1 secs Computing kpt #: 150 total cpu time spent up to now is 199.4 secs Computing kpt #: 151 total cpu time spent up to now is 200.7 secs Computing kpt #: 152 total cpu time spent up to now is 202.0 secs Computing kpt #: 153 total cpu time spent up to now is 203.2 secs Computing kpt #: 154 total cpu time spent up to now is 204.4 secs Computing kpt #: 155 total cpu time spent up to now is 205.7 secs Computing kpt #: 156 total cpu time spent up to now is 206.8 secs Computing kpt #: 157 total cpu time spent up to now is 207.9 secs Computing kpt #: 158 total cpu time spent up to now is 208.9 secs Computing kpt #: 159 total cpu time spent up to now is 209.9 secs Computing kpt #: 160 total cpu time spent up to now is 210.9 secs Computing kpt #: 161 total cpu time spent up to now is 211.8 secs Computing kpt #: 162 total cpu time spent up to now is 212.8 secs Computing kpt #: 163 total cpu time spent up to now is 213.7 secs Computing kpt #: 164 total cpu time spent up to now is 214.6 secs Computing kpt #: 165 total cpu time spent up to now is 215.5 secs Computing kpt #: 166 total cpu time spent up to now is 216.4 secs Computing kpt #: 167 total cpu time spent up to now is 217.1 secs Computing kpt #: 168 total cpu time spent up to now is 218.0 secs Computing kpt #: 169 total cpu time spent up to now is 218.9 secs Computing kpt #: 170 total cpu time spent up to now is 219.8 secs Computing kpt #: 171 total cpu time spent up to now is 220.7 secs Computing kpt #: 172 total cpu time spent up to now is 221.6 secs Computing kpt #: 173 total cpu time spent up to now is 222.5 secs Computing kpt #: 174 total cpu time spent up to now is 223.4 secs Computing kpt #: 175 total cpu time spent up to now is 224.3 secs Computing kpt #: 176 total cpu time spent up to now is 225.3 secs Computing kpt #: 177 total cpu time spent up to now is 226.4 secs Computing kpt #: 178 total cpu time spent up to now is 227.4 secs Computing kpt #: 179 total cpu time spent up to now is 228.5 secs Computing kpt #: 180 total cpu time spent up to now is 229.5 secs Computing kpt #: 181 total cpu time spent up to now is 230.4 secs Computing kpt #: 182 total cpu time spent up to now is 231.7 secs Computing kpt #: 183 total cpu time spent up to now is 233.0 secs Computing kpt #: 184 total cpu time spent up to now is 234.6 secs Computing kpt #: 185 total cpu time spent up to now is 236.0 secs Computing kpt #: 186 total cpu time spent up to now is 238.0 secs Computing kpt #: 187 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 240.3 secs Computing kpt #: 188 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 242.6 secs Computing kpt #: 189 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 245.0 secs Computing kpt #: 190 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 247.3 secs Computing kpt #: 191 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 249.7 secs Computing kpt #: 192 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 252.1 secs Computing kpt #: 193 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 254.4 secs Computing kpt #: 194 total cpu time spent up to now is 255.6 secs Computing kpt #: 195 total cpu time spent up to now is 256.8 secs Computing kpt #: 196 total cpu time spent up to now is 258.5 secs Computing kpt #: 197 total cpu time spent up to now is 259.5 secs Computing kpt #: 198 total cpu time spent up to now is 260.6 secs Computing kpt #: 199 total cpu time spent up to now is 262.1 secs Computing kpt #: 200 total cpu time spent up to now is 263.3 secs Computing kpt #: 201 total cpu time spent up to now is 265.1 secs Computing kpt #: 202 total cpu time spent up to now is 266.6 secs Computing kpt #: 203 total cpu time spent up to now is 268.2 secs Computing kpt #: 204 total cpu time spent up to now is 270.3 secs Computing kpt #: 205 total cpu time spent up to now is 271.8 secs Computing kpt #: 206 total cpu time spent up to now is 273.6 secs Computing kpt #: 207 total cpu time spent up to now is 275.4 secs Computing kpt #: 208 total cpu time spent up to now is 277.4 secs Computing kpt #: 209 total cpu time spent up to now is 279.4 secs Computing kpt #: 210 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 281.8 secs Computing kpt #: 211 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 284.1 secs Computing kpt #: 212 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 286.5 secs Computing kpt #: 213 total cpu time spent up to now is 288.0 secs Computing kpt #: 214 total cpu time spent up to now is 289.5 secs Computing kpt #: 215 total cpu time spent up to now is 290.9 secs Computing kpt #: 216 total cpu time spent up to now is 292.3 secs Computing kpt #: 217 total cpu time spent up to now is 293.6 secs Computing kpt #: 218 total cpu time spent up to now is 294.9 secs Computing kpt #: 219 total cpu time spent up to now is 296.2 secs Computing kpt #: 220 total cpu time spent up to now is 297.4 secs Computing kpt #: 221 total cpu time spent up to now is 298.4 secs Computing kpt #: 222 total cpu time spent up to now is 299.6 secs Computing kpt #: 223 total cpu time spent up to now is 300.8 secs Computing kpt #: 224 total cpu time spent up to now is 301.7 secs Computing kpt #: 225 total cpu time spent up to now is 302.5 secs Computing kpt #: 226 total cpu time spent up to now is 303.4 secs Computing kpt #: 227 total cpu time spent up to now is 304.3 secs Computing kpt #: 228 total cpu time spent up to now is 305.2 secs Computing kpt #: 229 total cpu time spent up to now is 305.9 secs Computing kpt #: 230 total cpu time spent up to now is 306.7 secs Computing kpt #: 231 total cpu time spent up to now is 307.4 secs Computing kpt #: 232 total cpu time spent up to now is 308.3 secs Computing kpt #: 233 total cpu time spent up to now is 309.2 secs Computing kpt #: 234 total cpu time spent up to now is 310.1 secs Computing kpt #: 235 total cpu time spent up to now is 311.0 secs Computing kpt #: 236 total cpu time spent up to now is 311.9 secs Computing kpt #: 237 total cpu time spent up to now is 312.8 secs Computing kpt #: 238 total cpu time spent up to now is 313.7 secs Computing kpt #: 239 total cpu time spent up to now is 314.6 secs Computing kpt #: 240 total cpu time spent up to now is 315.5 secs Computing kpt #: 241 total cpu time spent up to now is 316.5 secs Computing kpt #: 242 total cpu time spent up to now is 317.5 secs Computing kpt #: 243 total cpu time spent up to now is 318.5 secs Computing kpt #: 244 total cpu time spent up to now is 319.5 secs Computing kpt #: 245 total cpu time spent up to now is 320.7 secs Computing kpt #: 246 total cpu time spent up to now is 321.9 secs Computing kpt #: 247 total cpu time spent up to now is 323.2 secs Computing kpt #: 248 total cpu time spent up to now is 324.8 secs Computing kpt #: 249 total cpu time spent up to now is 326.7 secs Computing kpt #: 250 total cpu time spent up to now is 328.9 secs Computing kpt #: 251 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 331.3 secs Computing kpt #: 252 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 333.6 secs Computing kpt #: 253 total cpu time spent up to now is 335.5 secs Computing kpt #: 254 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 337.8 secs Computing kpt #: 255 total cpu time spent up to now is 340.3 secs Computing kpt #: 256 total cpu time spent up to now is 342.3 secs Computing kpt #: 257 total cpu time spent up to now is 344.2 secs Computing kpt #: 258 total cpu time spent up to now is 345.9 secs Computing kpt #: 259 total cpu time spent up to now is 347.5 secs Computing kpt #: 260 total cpu time spent up to now is 348.9 secs Computing kpt #: 261 total cpu time spent up to now is 350.2 secs Computing kpt #: 262 total cpu time spent up to now is 351.5 secs Computing kpt #: 263 total cpu time spent up to now is 352.8 secs Computing kpt #: 264 total cpu time spent up to now is 354.0 secs Computing kpt #: 265 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 356.3 secs Computing kpt #: 266 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 358.6 secs Computing kpt #: 267 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 361.0 secs Computing kpt #: 268 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 363.4 secs Computing kpt #: 269 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 365.7 secs Computing kpt #: 270 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 368.1 secs Computing kpt #: 271 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 370.5 secs Computing kpt #: 272 total cpu time spent up to now is 372.4 secs Computing kpt #: 273 total cpu time spent up to now is 374.0 secs Computing kpt #: 274 total cpu time spent up to now is 375.4 secs Computing kpt #: 275 total cpu time spent up to now is 376.8 secs Computing kpt #: 276 total cpu time spent up to now is 378.1 secs Computing kpt #: 277 total cpu time spent up to now is 379.2 secs Computing kpt #: 278 total cpu time spent up to now is 380.3 secs Computing kpt #: 279 total cpu time spent up to now is 381.4 secs Computing kpt #: 280 total cpu time spent up to now is 382.4 secs Computing kpt #: 281 total cpu time spent up to now is 383.5 secs Computing kpt #: 282 total cpu time spent up to now is 384.6 secs Computing kpt #: 283 total cpu time spent up to now is 385.7 secs Computing kpt #: 284 total cpu time spent up to now is 386.7 secs Computing kpt #: 285 total cpu time spent up to now is 387.8 secs Computing kpt #: 286 total cpu time spent up to now is 388.8 secs Computing kpt #: 287 total cpu time spent up to now is 390.0 secs Computing kpt #: 288 total cpu time spent up to now is 391.3 secs Computing kpt #: 289 total cpu time spent up to now is 392.5 secs Computing kpt #: 290 total cpu time spent up to now is 393.8 secs Computing kpt #: 291 total cpu time spent up to now is 394.8 secs Computing kpt #: 292 total cpu time spent up to now is 396.3 secs Computing kpt #: 293 total cpu time spent up to now is 397.8 secs Computing kpt #: 294 total cpu time spent up to now is 399.2 secs Computing kpt #: 295 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 401.5 secs Computing kpt #: 296 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 403.9 secs Computing kpt #: 297 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 406.3 secs Computing kpt #: 298 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 408.6 secs ethr = 1.72E-08, avg # of iterations = 53.6 total cpu time spent up to now is 408.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4195 PWs) bands (ev): -12.7090 -12.7090 -10.6383 -10.6383 -10.6022 -10.6022 -10.5782 -10.5782 -10.1011 -10.1011 -10.0873 -10.0873 -2.3713 -2.3713 -1.3436 -1.3436 -0.4805 -0.4805 -0.3517 -0.3517 0.7425 0.7425 0.8370 0.8370 1.1472 1.1472 2.1227 2.1227 2.7412 2.7412 2.8497 2.8497 3.0855 3.0855 3.2907 3.2907 3.5861 3.5861 4.0495 4.0495 4.1121 4.1121 4.1967 4.1967 5.2013 5.2013 5.2812 5.2812 5.6788 5.6788 5.6955 5.6955 5.9362 5.9362 5.9554 5.9554 6.0637 6.0637 7.3391 7.3391 10.6916 10.6916 11.9864 11.9864 14.7407 14.7407 15.1295 15.1295 15.1635 15.1635 k = 0.0143 0.0082-0.0000 ( 4207 PWs) bands (ev): -12.7082 -12.7082 -10.6397 -10.6397 -10.6042 -10.6042 -10.5764 -10.5764 -10.1009 -10.1009 -10.0872 -10.0872 -2.3710 -2.3710 -1.3432 -1.3432 -0.4789 -0.4789 -0.3503 -0.3503 0.7424 0.7424 0.8369 0.8369 1.1470 1.1470 2.1184 2.1184 2.7440 2.7440 2.8519 2.8519 3.0785 3.0785 3.2792 3.2792 3.6023 3.6023 4.0480 4.0480 4.1096 4.1096 4.2000 4.2000 5.2017 5.2017 5.2815 5.2815 5.6750 5.6750 5.6922 5.6922 5.9345 5.9345 5.9539 5.9539 6.0670 6.0670 7.3466 7.3466 10.6915 10.6915 11.9898 11.9898 14.7380 14.7380 15.1230 15.1230 15.1561 15.1561 k = 0.0286 0.0165-0.0000 ( 4199 PWs) bands (ev): -12.7058 -12.7058 -10.6439 -10.6439 -10.6096 -10.6096 -10.5720 -10.5720 -10.1003 -10.1003 -10.0867 -10.0867 -2.3699 -2.3699 -1.3418 -1.3418 -0.4743 -0.4743 -0.3460 -0.3460 0.7425 0.7425 0.8370 0.8370 1.1465 1.1465 2.1062 2.1062 2.7510 2.7510 2.8588 2.8588 3.0575 3.0575 3.2530 3.2530 3.6430 3.6430 4.0432 4.0432 4.1044 4.1044 4.2087 4.2087 5.2029 5.2029 5.2824 5.2824 5.6612 5.6612 5.6853 5.6853 5.9281 5.9281 5.9524 5.9524 6.0756 6.0756 7.3687 7.3687 10.6914 10.6914 12.0000 12.0000 14.7297 14.7297 15.0979 15.0979 15.1424 15.1424 k = 0.0429 0.0247-0.0000 ( 4187 PWs) bands (ev): -12.7019 -12.7019 -10.6504 -10.6504 -10.6171 -10.6171 -10.5664 -10.5664 -10.0994 -10.0994 -10.0861 -10.0861 -2.3680 -2.3680 -1.3395 -1.3395 -0.4666 -0.4666 -0.3388 -0.3388 0.7426 0.7426 0.8371 0.8371 1.1457 1.1457 2.0873 2.0873 2.7594 2.7594 2.8700 2.8700 3.0244 3.0244 3.2239 3.2239 3.6949 3.6949 4.0341 4.0341 4.1010 4.1010 4.2207 4.2207 5.2047 5.2047 5.2838 5.2838 5.6366 5.6366 5.6771 5.6771 5.9172 5.9172 5.9526 5.9526 6.0871 6.0871 7.4045 7.4045 10.6911 10.6911 12.0168 12.0168 14.7158 14.7158 15.0532 15.0532 15.1298 15.1298 k = 0.0571 0.0330-0.0000 ( 4191 PWs) bands (ev): -12.6964 -12.6964 -10.6590 -10.6590 -10.6264 -10.6264 -10.5601 -10.5601 -10.0981 -10.0981 -10.0851 -10.0851 -2.3654 -2.3654 -1.3363 -1.3363 -0.4560 -0.4560 -0.3288 -0.3288 0.7426 0.7426 0.8373 0.8373 1.1445 1.1445 2.0633 2.0633 2.7662 2.7662 2.8789 2.8789 2.9892 2.9892 3.1971 3.1971 3.7480 3.7480 4.0200 4.0200 4.1042 4.1042 4.2348 4.2348 5.2065 5.2065 5.2851 5.2851 5.6046 5.6046 5.6665 5.6665 5.9048 5.9048 5.9532 5.9532 6.0997 6.0997 7.4527 7.4527 10.6906 10.6906 12.0401 12.0401 14.6958 14.6958 14.9963 14.9963 15.1163 15.1163 k = 0.0714 0.0412-0.0000 ( 4187 PWs) bands (ev): -12.6894 -12.6894 -10.6698 -10.6698 -10.6370 -10.6370 -10.5535 -10.5535 -10.0967 -10.0967 -10.0839 -10.0839 -2.3620 -2.3620 -1.3322 -1.3322 -0.4427 -0.4427 -0.3159 -0.3159 0.7426 0.7426 0.8375 0.8375 1.1430 1.1430 2.0360 2.0360 2.7691 2.7691 2.8624 2.8624 2.9796 2.9796 3.1722 3.1722 3.7946 3.7946 4.0021 4.0021 4.1177 4.1177 4.2503 4.2503 5.2080 5.2080 5.2857 5.2857 5.5686 5.5686 5.6523 5.6523 5.8936 5.8936 5.9533 5.9533 6.1123 6.1123 7.5119 7.5119 10.6899 10.6899 12.0696 12.0696 14.6695 14.6695 14.9320 14.9320 15.1011 15.1011 k = 0.0857 0.0495-0.0000 ( 4191 PWs) bands (ev): -12.6808 -12.6808 -10.6830 -10.6830 -10.6484 -10.6484 -10.5468 -10.5468 -10.0951 -10.0951 -10.0825 -10.0825 -2.3578 -2.3578 -1.3274 -1.3274 -0.4268 -0.4268 -0.3001 -0.3001 0.7427 0.7427 0.8377 0.8377 1.1412 1.1412 2.0068 2.0068 2.7633 2.7633 2.8192 2.8192 3.0033 3.0033 3.1475 3.1475 3.8290 3.8290 3.9820 3.9820 4.1442 4.1442 4.2673 4.2673 5.2084 5.2084 5.2841 5.2841 5.5321 5.5321 5.6343 5.6343 5.8850 5.8850 5.9522 5.9522 6.1243 6.1243 7.5804 7.5804 10.6889 10.6889 12.1051 12.1051 14.6366 14.6366 14.8629 14.8629 15.0842 15.0842 k = 0.1000 0.0577-0.0000 ( 4193 PWs) bands (ev): -12.6706 -12.6706 -10.6990 -10.6990 -10.6599 -10.6599 -10.5399 -10.5399 -10.0935 -10.0935 -10.0808 -10.0808 -2.3527 -2.3527 -1.3218 -1.3218 -0.4085 -0.4085 -0.2815 -0.2815 0.7428 0.7428 0.8380 0.8380 1.1391 1.1391 1.9770 1.9770 2.7274 2.7274 2.7911 2.7911 3.0395 3.0395 3.1229 3.1229 3.8484 3.8484 3.9611 3.9611 4.1841 4.1841 4.2862 4.2862 5.2070 5.2070 5.2783 5.2783 5.4993 5.4993 5.6129 5.6129 5.8797 5.8797 5.9498 5.9498 6.1354 6.1354 7.6567 7.6567 10.6877 10.6877 12.1462 12.1462 14.5966 14.5966 14.7906 14.7906 15.0660 15.0660 k = 0.1143 0.0660-0.0000 ( 4197 PWs) bands (ev): -12.6590 -12.6590 -10.7178 -10.7178 -10.6712 -10.6712 -10.5329 -10.5329 -10.0919 -10.0919 -10.0788 -10.0788 -2.3468 -2.3468 -1.3156 -1.3156 -0.3881 -0.3881 -0.2602 -0.2602 0.7429 0.7429 0.8385 0.8385 1.1368 1.1368 1.9474 1.9474 2.6651 2.6651 2.7834 2.7834 3.0655 3.0655 3.1115 3.1115 3.8546 3.8546 3.9406 3.9406 4.2327 4.2327 4.3083 4.3083 5.2020 5.2020 5.2668 5.2668 5.4744 5.4744 5.5889 5.5889 5.8776 5.8776 5.9461 5.9461 6.1456 6.1456 7.7395 7.7395 10.6862 10.6862 12.1924 12.1924 14.5495 14.5495 14.7162 14.7162 15.0470 15.0470 k = 0.1286 0.0742-0.0000 ( 4197 PWs) bands (ev): -12.6458 -12.6458 -10.7395 -10.7395 -10.6823 -10.6823 -10.5259 -10.5259 -10.0905 -10.0905 -10.0766 -10.0766 -2.3401 -2.3401 -1.3086 -1.3086 -0.3657 -0.3657 -0.2361 -0.2361 0.7432 0.7432 0.8389 0.8389 1.1343 1.1343 1.9188 1.9188 2.5967 2.5967 2.7785 2.7785 3.0456 3.0456 3.1447 3.1447 3.8516 3.8516 3.9211 3.9211 4.2814 4.2814 4.3374 4.3374 5.1893 5.1893 5.2521 5.2521 5.4599 5.4599 5.5636 5.5636 5.8785 5.8785 5.9412 5.9412 6.1547 6.1547 7.8276 7.8276 10.6842 10.6842 12.2434 12.2434 14.4952 14.4952 14.6408 14.6408 15.0276 15.0276 k = 0.1429 0.0825-0.0000 ( 4201 PWs) bands (ev): -12.6311 -12.6311 -10.7637 -10.7637 -10.6930 -10.6930 -10.5188 -10.5188 -10.0894 -10.0894 -10.0741 -10.0741 -2.3324 -2.3324 -1.3010 -1.3010 -0.3416 -0.3416 -0.2095 -0.2095 0.7436 0.7436 0.8394 0.8394 1.1318 1.1318 1.8916 1.8916 2.5272 2.5272 2.7732 2.7732 3.0101 3.0101 3.1902 3.1902 3.8433 3.8433 3.9030 3.9030 4.3195 4.3195 4.3799 4.3799 5.1634 5.1634 5.2415 5.2415 5.4550 5.4550 5.5383 5.5383 5.8817 5.8817 5.9352 5.9352 6.1629 6.1629 7.9200 7.9200 10.6817 10.6817 12.2987 12.2987 14.4338 14.4338 14.5649 14.5649 15.0079 15.0079 k = 0.1571 0.0907-0.0000 ( 4189 PWs) bands (ev): -12.6150 -12.6150 -10.7903 -10.7903 -10.7036 -10.7036 -10.5117 -10.5117 -10.0885 -10.0885 -10.0714 -10.0714 -2.3240 -2.3240 -1.2928 -1.2928 -0.3160 -0.3160 -0.1806 -0.1806 0.7444 0.7444 0.8400 0.8400 1.1293 1.1293 1.8664 1.8664 2.4578 2.4578 2.7665 2.7665 2.9690 2.9690 3.2360 3.2360 3.8328 3.8328 3.8864 3.8864 4.3480 4.3480 4.4308 4.4308 5.1256 5.1256 5.2381 5.2381 5.4570 5.4570 5.5143 5.5143 5.8868 5.8868 5.9284 5.9284 6.1701 6.1701 8.0158 8.0158 10.6788 10.6788 12.3578 12.3578 14.3660 14.3660 14.4889 14.4889 14.9881 14.9881 k = 0.1714 0.0990-0.0000 ( 4191 PWs) bands (ev): -12.5974 -12.5974 -10.8190 -10.8190 -10.7140 -10.7140 -10.5047 -10.5047 -10.0879 -10.0879 -10.0686 -10.0686 -2.3147 -2.3147 -1.2840 -1.2840 -0.2891 -0.2891 -0.1498 -0.1498 0.7455 0.7455 0.8405 0.8405 1.1268 1.1268 1.8433 1.8433 2.3895 2.3895 2.7581 2.7581 2.9239 2.9239 3.2791 3.2791 3.8223 3.8223 3.8720 3.8720 4.3734 4.3734 4.4801 4.4801 5.0809 5.0809 5.2410 5.2410 5.4625 5.4625 5.4932 5.4932 5.8931 5.8931 5.9209 5.9209 6.1764 6.1764 8.1142 8.1142 10.6752 10.6752 12.4201 12.4201 14.2928 14.2928 14.4130 14.4130 14.9683 14.9683 k = 0.1857 0.1072-0.0000 ( 4197 PWs) bands (ev): -12.5784 -12.5784 -10.8496 -10.8496 -10.7243 -10.7243 -10.4975 -10.4975 -10.0875 -10.0875 -10.0658 -10.0658 -2.3046 -2.3046 -1.2747 -1.2747 -0.2611 -0.2611 -0.1173 -0.1173 0.7470 0.7470 0.8409 0.8409 1.1247 1.1247 1.8224 1.8224 2.3227 2.3227 2.7473 2.7473 2.8757 2.8757 3.3171 3.3171 3.8131 3.8131 3.8608 3.8608 4.3984 4.3984 4.5223 4.5223 5.0331 5.0331 5.2506 5.2506 5.4642 5.4642 5.4812 5.4812 5.8985 5.8985 5.9148 5.9148 6.1819 6.1819 8.2145 8.2145 10.6708 10.6708 12.4850 12.4850 14.2153 14.2153 14.3370 14.3370 14.9486 14.9486 k = 0.2000 0.1155-0.0000 ( 4203 PWs) bands (ev): -12.5580 -12.5580 -10.8819 -10.8819 -10.7344 -10.7344 -10.4904 -10.4904 -10.0874 -10.0874 -10.0629 -10.0629 -2.2937 -2.2937 -1.2647 -1.2647 -0.2320 -0.2320 -0.0836 -0.0836 0.7492 0.7492 0.8412 0.8412 1.1230 1.1230 1.8036 1.8036 2.2581 2.2581 2.7327 2.7327 2.8264 2.8264 3.3475 3.3475 3.8059 3.8059 3.8547 3.8547 4.4237 4.4237 4.5540 4.5540 4.9842 4.9842 5.2683 5.2683 5.4525 5.4525 5.4872 5.4872 5.8960 5.8960 5.9167 5.9167 6.1866 6.1866 8.3163 8.3163 10.6658 10.6658 12.5520 12.5520 14.1348 14.1348 14.2609 14.2609 14.9289 14.9289 k = 0.2143 0.1237-0.0000 ( 4205 PWs) bands (ev): -12.5363 -12.5363 -10.9158 -10.9158 -10.7443 -10.7443 -10.4833 -10.4833 -10.0876 -10.0876 -10.0601 -10.0601 -2.2823 -2.2823 -1.2542 -1.2542 -0.2022 -0.2022 -0.0491 -0.0491 0.7522 0.7522 0.8414 0.8414 1.1219 1.1219 1.7866 1.7866 2.1963 2.1963 2.7102 2.7102 2.7804 2.7804 3.3677 3.3677 3.8006 3.8006 3.8561 3.8561 4.4493 4.4493 4.5736 4.5736 4.9354 4.9354 5.2945 5.2945 5.4406 5.4406 5.4978 5.4978 5.8871 5.8871 5.9252 5.9252 6.1906 6.1906 8.4189 8.4189 10.6598 10.6598 12.6204 12.6204 14.0524 14.0524 14.1848 14.1848 14.9094 14.9094 k = 0.2286 0.1320-0.0000 ( 4199 PWs) bands (ev): -12.5132 -12.5132 -10.9511 -10.9511 -10.7540 -10.7540 -10.4763 -10.4763 -10.0879 -10.0879 -10.0573 -10.0573 -2.2702 -2.2702 -1.2432 -1.2432 -0.1716 -0.1716 -0.0144 -0.0144 0.7561 0.7561 0.8415 0.8415 1.1217 1.1217 1.7708 1.7708 2.1380 2.1380 2.6731 2.6731 2.7453 2.7453 3.3759 3.3759 3.7970 3.7970 3.8669 3.8669 4.4752 4.4752 4.5811 4.5811 4.8876 4.8876 5.3275 5.3275 5.4333 5.4333 5.5091 5.5091 5.8764 5.8764 5.9355 5.9355 6.1941 6.1941 8.5219 8.5219 10.6530 10.6530 12.6894 12.6894 13.9689 13.9689 14.1093 14.1093 14.8901 14.8901 k = 0.2429 0.1402-0.0000 ( 4195 PWs) bands (ev): -12.4888 -12.4888 -10.9877 -10.9877 -10.7635 -10.7635 -10.4693 -10.4693 -10.0884 -10.0884 -10.0547 -10.0547 -2.2577 -2.2577 -1.2315 -1.2315 -0.1405 -0.1405 0.0201 0.0201 0.7611 0.7611 0.8415 0.8415 1.1224 1.1224 1.7552 1.7552 2.0845 2.0845 2.6221 2.6221 2.7207 2.7207 3.3715 3.3715 3.7950 3.7950 3.8872 3.8872 4.5008 4.5008 4.5781 4.5781 4.8415 4.8415 5.3595 5.3595 5.4372 5.4372 5.5206 5.5206 5.8649 5.8649 5.9466 5.9466 6.1969 6.1969 8.6249 8.6249 10.6451 10.6451 12.7581 12.7581 13.8852 13.8852 14.0351 14.0351 14.8710 14.8710 k = 0.2571 0.1485-0.0000 ( 4195 PWs) bands (ev): -12.4632 -12.4632 -11.0254 -11.0254 -10.7727 -10.7727 -10.4623 -10.4623 -10.0891 -10.0891 -10.0523 -10.0523 -2.2449 -2.2449 -1.2194 -1.2194 -0.1093 -0.1093 0.0539 0.0539 0.7670 0.7670 0.8415 0.8415 1.1244 1.1244 1.7385 1.7385 2.0371 2.0371 2.5647 2.5647 2.6999 2.6999 3.3554 3.3554 3.7949 3.7949 3.9156 3.9156 4.5248 4.5248 4.5676 4.5676 4.7980 4.7980 5.3752 5.3752 5.4648 5.4648 5.5324 5.5324 5.8529 5.8529 5.9582 5.9582 6.1993 6.1993 8.7274 8.7274 10.6362 10.6362 12.8253 12.8253 13.8017 13.8017 13.9632 13.9632 14.8522 14.8522 k = 0.2714 0.1567-0.0000 ( 4199 PWs) bands (ev): -12.4365 -12.4365 -11.0641 -11.0641 -10.7816 -10.7816 -10.4555 -10.4555 -10.0900 -10.0900 -10.0500 -10.0500 -2.2318 -2.2318 -1.2067 -1.2067 -0.0780 -0.0780 0.0866 0.0866 0.7740 0.7740 0.8419 0.8419 1.1277 1.1277 1.7188 1.7188 1.9979 1.9979 2.5050 2.5050 2.6795 2.6795 3.3293 3.3293 3.7967 3.7967 3.9498 3.9498 4.5379 4.5379 4.5600 4.5600 4.7586 4.7586 5.3759 5.3759 5.5092 5.5092 5.5473 5.5473 5.8406 5.8406 5.9702 5.9702 6.2013 6.2013 8.8292 8.8292 10.6262 10.6262 12.8897 12.8897 13.7190 13.7190 13.8952 13.8952 14.8338 14.8338 k = 0.2857 0.1650-0.0000 ( 4207 PWs) bands (ev): -12.4086 -12.4086 -11.1036 -11.1036 -10.7901 -10.7901 -10.4487 -10.4487 -10.0910 -10.0910 -10.0480 -10.0480 -2.2187 -2.2187 -1.1935 -1.1935 -0.0471 -0.0471 0.1176 0.1176 0.7815 0.7815 0.8430 0.8430 1.1325 1.1325 1.6942 1.6942 1.9686 1.9686 2.4450 2.4450 2.6585 2.6585 3.2950 3.2950 3.8004 3.8004 3.9877 3.9877 4.5230 4.5230 4.5712 4.5712 4.7265 4.7265 5.3716 5.3716 5.5396 5.5396 5.5836 5.5836 5.8282 5.8282 5.9824 5.9824 6.2029 6.2029 8.9298 8.9298 10.6149 10.6149 12.9493 12.9493 13.6376 13.6376 13.8330 13.8330 14.8158 14.8158 k = 0.3000 0.1732-0.0000 ( 4189 PWs) bands (ev): -12.3796 -12.3796 -11.1438 -11.1438 -10.7983 -10.7983 -10.4422 -10.4422 -10.0920 -10.0920 -10.0461 -10.0461 -2.2056 -2.2056 -1.1800 -1.1800 -0.0166 -0.0166 0.1470 0.1470 0.7891 0.7891 0.8457 0.8457 1.1390 1.1390 1.6639 1.6639 1.9501 1.9501 2.3858 2.3858 2.6365 2.6365 3.2542 3.2542 3.8059 3.8059 4.0271 4.0271 4.5010 4.5010 4.5760 4.5760 4.7083 4.7083 5.3660 5.3660 5.5514 5.5514 5.6400 5.6400 5.8162 5.8162 5.9950 5.9950 6.2043 6.2043 9.0288 9.0288 10.6025 10.6025 13.0018 13.0018 13.5581 13.5581 13.7793 13.7793 14.7984 14.7984 k = 0.3143 0.1815-0.0000 ( 4185 PWs) bands (ev): -12.3497 -12.3497 -11.1845 -11.1845 -10.8061 -10.8061 -10.4358 -10.4358 -10.0931 -10.0931 -10.0445 -10.0445 -2.1927 -2.1927 -1.1661 -1.1661 0.0128 0.0128 0.1744 0.1744 0.7956 0.7956 0.8509 0.8509 1.1470 1.1470 1.6283 1.6283 1.9418 1.9418 2.3283 2.3283 2.6135 2.6135 3.2081 3.2081 3.8131 3.8131 4.0665 4.0665 4.4785 4.4785 4.5640 4.5640 4.7092 4.7092 5.3598 5.3598 5.5590 5.5590 5.6987 5.6987 5.8051 5.8051 6.0079 6.0079 6.2055 6.2055 9.1260 9.1260 10.5887 10.5887 13.0438 13.0438 13.4807 13.4807 13.7372 13.7372 14.7817 14.7817 k = 0.3286 0.1897-0.0000 ( 4179 PWs) bands (ev): -12.3190 -12.3190 -11.2256 -11.2256 -10.8134 -10.8134 -10.4297 -10.4297 -10.0943 -10.0943 -10.0431 -10.0431 -2.1802 -2.1802 -1.1520 -1.1520 0.0408 0.0408 0.1998 0.1998 0.8002 0.8002 0.8595 0.8595 1.1564 1.1564 1.5888 1.5888 1.9421 1.9421 2.2735 2.2735 2.5895 2.5895 3.1579 3.1579 3.8217 3.8217 4.1044 4.1044 4.4574 4.4574 4.5393 4.5393 4.7245 4.7245 5.3533 5.3533 5.5645 5.5645 5.7521 5.7521 5.7988 5.7988 6.0215 6.0215 6.2067 6.2067 9.2210 9.2210 10.5735 10.5735 13.0719 13.0719 13.4060 13.4060 13.7105 13.7105 14.7657 14.7657 k = 0.3429 0.1979-0.0000 ( 4175 PWs) bands (ev): -12.2875 -12.2875 -11.2668 -11.2668 -10.8202 -10.8202 -10.4239 -10.4239 -10.0955 -10.0955 -10.0418 -10.0418 -2.1682 -2.1682 -1.1378 -1.1378 0.0670 0.0670 0.2234 0.2234 0.8026 0.8026 0.8714 0.8714 1.1673 1.1673 1.5472 1.5472 1.9489 1.9489 2.2226 2.2226 2.5649 2.5649 3.1043 3.1043 3.8316 3.8316 4.1390 4.1390 4.4393 4.4393 4.5095 4.5095 4.7465 4.7465 5.3467 5.3467 5.5682 5.5682 5.7712 5.7712 5.8241 5.8241 6.0360 6.0360 6.2079 6.2079 9.3133 9.3133 10.5570 10.5570 13.0839 13.0839 13.3345 13.3345 13.7015 13.7015 14.7507 14.7507 k = 0.3571 0.2062-0.0000 ( 4178 PWs) bands (ev): -12.2554 -12.2554 -11.3080 -11.3080 -10.8266 -10.8266 -10.4183 -10.4183 -10.0966 -10.0966 -10.0408 -10.0408 -2.1567 -2.1567 -1.1237 -1.1237 0.0909 0.0909 0.2454 0.2454 0.8036 0.8036 0.8859 0.8859 1.1793 1.1793 1.5047 1.5047 1.9598 1.9598 2.1771 2.1771 2.5397 2.5397 3.0482 3.0482 3.8426 3.8426 4.1688 4.1688 4.4258 4.4258 4.4784 4.4784 4.7710 4.7710 5.3401 5.3401 5.5702 5.5702 5.7650 5.7650 5.8707 5.8707 6.0521 6.0521 6.2095 6.2095 9.4027 9.4027 10.5389 10.5389 13.0797 13.0797 13.2666 13.2666 13.7099 13.7099 14.7366 14.7366 k = 0.3714 0.2144-0.0000 ( 4182 PWs) bands (ev): -12.2229 -12.2229 -11.3489 -11.3489 -10.8324 -10.8324 -10.4132 -10.4132 -10.0978 -10.0978 -10.0400 -10.0400 -2.1460 -2.1460 -1.1099 -1.1099 0.1122 0.1122 0.2659 0.2659 0.8037 0.8037 0.9020 0.9020 1.1921 1.1921 1.4625 1.4625 1.9720 1.9720 2.1393 2.1393 2.5146 2.5146 2.9903 2.9903 3.8544 3.8544 4.1921 4.1921 4.4186 4.4186 4.4477 4.4477 4.7960 4.7960 5.3334 5.3334 5.5704 5.5704 5.7568 5.7568 5.9135 5.9135 6.0702 6.0702 6.2116 6.2116 9.4887 9.4887 10.5195 10.5195 13.0627 13.0627 13.2028 13.2028 13.7327 13.7327 14.7235 14.7235 k = 0.3857 0.2227-0.0000 ( 4182 PWs) bands (ev): -12.1903 -12.1903 -11.3892 -11.3892 -10.8376 -10.8376 -10.4084 -10.4084 -10.0988 -10.0988 -10.0393 -10.0393 -2.1362 -2.1362 -1.0966 -1.0966 0.1308 0.1308 0.2850 0.2850 0.8034 0.8034 0.9192 0.9192 1.2053 1.2053 1.4211 1.4211 1.9804 1.9804 2.1143 2.1143 2.4898 2.4898 2.9312 2.9312 3.8668 3.8668 4.2074 4.2074 4.4173 4.4173 4.4197 4.4197 4.8206 4.8206 5.3268 5.3268 5.5691 5.5691 5.7494 5.7494 5.9486 5.9486 6.0908 6.0908 6.2149 6.2149 9.5708 9.5708 10.4985 10.4985 13.0373 13.0373 13.1437 13.1437 13.7652 13.7652 14.7116 14.7116 k = 0.4000 0.2309-0.0000 ( 4182 PWs) bands (ev): -12.1579 -12.1579 -11.4285 -11.4285 -10.8423 -10.8423 -10.4041 -10.4041 -10.0998 -10.0998 -10.0388 -10.0388 -2.1273 -2.1273 -1.0840 -1.0840 0.1464 0.1464 0.3029 0.3029 0.8030 0.8030 0.9370 0.9370 1.2184 1.2184 1.3812 1.3812 1.9784 1.9784 2.1081 2.1081 2.4660 2.4660 2.8717 2.8717 3.8796 3.8796 4.2151 4.2151 4.3905 4.3905 4.4258 4.4258 4.8441 4.8441 5.3203 5.3203 5.5663 5.5663 5.7430 5.7430 5.9755 5.9755 6.1124 6.1124 6.2201 6.2201 9.6486 9.6486 10.4761 10.4761 13.0078 13.0078 13.0899 13.0899 13.8028 13.8028 14.7008 14.7008 k = 0.4143 0.2392-0.0000 ( 4190 PWs) bands (ev): -12.1261 -12.1261 -11.4663 -11.4663 -10.8464 -10.8464 -10.4002 -10.4002 -10.1007 -10.1007 -10.0383 -10.0383 -2.1194 -2.1194 -1.0724 -1.0724 0.1592 0.1592 0.3193 0.3193 0.8026 0.8026 0.9550 0.9550 1.2307 1.2307 1.3435 1.3435 1.9658 1.9658 2.1206 2.1206 2.4438 2.4438 2.8124 2.8124 3.8922 3.8922 4.2167 4.2167 4.3651 4.3651 4.4376 4.4376 4.8657 4.8657 5.3143 5.3143 5.5625 5.5625 5.7378 5.7378 5.9952 5.9952 6.1325 6.1325 6.2282 6.2282 9.7215 9.7215 10.4525 10.4525 12.9775 12.9775 13.0418 13.0418 13.8418 13.8418 14.6913 14.6913 k = 0.4286 0.2474-0.0000 ( 4190 PWs) bands (ev): -12.0956 -12.0956 -11.5020 -11.5020 -10.8500 -10.8500 -10.3969 -10.3969 -10.1015 -10.1015 -10.0380 -10.0380 -2.1126 -2.1126 -1.0620 -1.0620 0.1694 0.1694 0.3339 0.3339 0.8025 0.8025 0.9731 0.9731 1.2411 1.2411 1.3089 1.3089 1.9492 1.9492 2.1444 2.1444 2.4243 2.4243 2.7542 2.7542 3.9044 3.9044 4.2147 4.2147 4.3422 4.3422 4.4517 4.4517 4.8852 4.8852 5.3087 5.3087 5.5580 5.5580 5.7338 5.7338 6.0093 6.0093 6.1482 6.1482 6.2397 6.2397 9.7886 9.7886 10.4279 10.4279 12.9490 12.9490 12.9999 12.9999 13.8794 13.8794 14.6831 14.6831 k = 0.4429 0.2557-0.0000 ( 4192 PWs) bands (ev): -12.0673 -12.0673 -11.5346 -11.5346 -10.8528 -10.8528 -10.3941 -10.3941 -10.1022 -10.1022 -10.0378 -10.0378 -2.1070 -2.1070 -1.0531 -1.0531 0.1772 0.1772 0.3466 0.3466 0.8024 0.8024 0.9908 0.9908 1.2463 1.2463 1.2809 1.2809 1.9336 1.9336 2.1731 2.1731 2.4085 2.4085 2.6983 2.6983 3.9157 3.9157 4.2111 4.2111 4.3224 4.3224 4.4658 4.4658 4.9019 4.9019 5.3038 5.3038 5.5533 5.5533 5.7308 5.7308 6.0195 6.0195 6.1587 6.1587 6.2534 6.2534 9.8489 9.8489 10.4032 10.4032 12.9239 12.9239 12.9649 12.9649 13.9132 13.9132 14.6762 14.6762 k = 0.4571 0.2639-0.0000 ( 4202 PWs) bands (ev): -12.0424 -12.0424 -11.5629 -11.5629 -10.8551 -10.8551 -10.3919 -10.3919 -10.1027 -10.1027 -10.0377 -10.0377 -2.1025 -2.1025 -1.0460 -1.0460 0.1829 0.1829 0.3568 0.3568 0.8025 0.8025 1.0076 1.0076 1.2353 1.2353 1.2708 1.2708 1.9209 1.9209 2.2023 2.2023 2.3978 2.3978 2.6461 2.6461 3.9254 3.9254 4.2071 4.2071 4.3062 4.3062 4.4780 4.4780 4.9154 4.9154 5.2997 5.2997 5.5490 5.5490 5.7287 5.7287 6.0267 6.0267 6.1650 6.1650 6.2671 6.2671 9.9008 9.9008 10.3794 10.3794 12.9033 12.9033 12.9371 12.9371 13.9415 13.9415 14.6708 14.6708 k = 0.4714 0.2722-0.0000 ( 4208 PWs) bands (ev): -12.0225 -12.0225 -11.5852 -11.5852 -10.8567 -10.8567 -10.3904 -10.3904 -10.1031 -10.1031 -10.0376 -10.0376 -2.0993 -2.0993 -1.0407 -1.0407 0.1868 0.1868 0.3643 0.3643 0.8026 0.8026 1.0225 1.0225 1.2152 1.2152 1.2730 1.2730 1.9118 1.9118 2.2277 2.2277 2.3936 2.3936 2.6007 2.6007 3.9330 3.9330 4.2038 4.2038 4.2940 4.2940 4.4875 4.4875 4.9254 4.9254 5.2967 5.2967 5.5456 5.5456 5.7273 5.7273 6.0316 6.0316 6.1686 6.1686 6.2783 6.2783 9.9418 9.9418 10.3586 10.3586 12.8881 12.8881 12.9169 12.9169 13.9628 13.9628 14.6668 14.6668 k = 0.4857 0.2804-0.0000 ( 4202 PWs) bands (ev): -12.0094 -12.0094 -11.5997 -11.5997 -10.8577 -10.8577 -10.3894 -10.3894 -10.1034 -10.1034 -10.0375 -10.0375 -2.0974 -2.0974 -1.0375 -1.0375 0.1891 0.1891 0.3689 0.3689 0.8028 0.8028 1.0334 1.0334 1.1998 1.1998 1.2756 1.2756 1.9065 1.9065 2.2449 2.2449 2.3952 2.3952 2.5671 2.5671 3.9378 3.9378 4.2016 4.2016 4.2865 4.2865 4.4934 4.4934 4.9316 4.9316 5.2948 5.2948 5.5433 5.5433 5.7265 5.7265 6.0344 6.0344 6.1704 6.1704 6.2856 6.2856 9.9688 9.9688 10.3439 10.3439 12.8788 12.8788 12.9046 12.9046 13.9760 13.9760 14.6644 14.6644 k = 0.5000 0.2887-0.0000 ( 4208 PWs) bands (ev): -12.0048 -12.0048 -11.6048 -11.6048 -10.8580 -10.8580 -10.3891 -10.3891 -10.1034 -10.1034 -10.0375 -10.0375 -2.0968 -2.0968 -1.0364 -1.0364 0.1899 0.1899 0.3704 0.3704 0.8028 0.8028 1.0375 1.0375 1.1941 1.1941 1.2766 1.2766 1.9047 1.9047 2.2508 2.2508 2.3973 2.3973 2.5541 2.5541 3.9395 3.9395 4.2008 4.2008 4.2840 4.2840 4.4954 4.4954 4.9336 4.9336 5.2942 5.2942 5.5425 5.5425 5.7262 5.7262 6.0353 6.0353 6.1709 6.1709 6.2881 6.2881 9.9783 9.9783 10.3385 10.3385 12.8757 12.8757 12.9005 12.9005 13.9805 13.9805 14.6636 14.6636 k = 0.5000 0.2887-0.0000 ( 4208 PWs) bands (ev): -12.0048 -12.0048 -11.6048 -11.6048 -10.8580 -10.8580 -10.3891 -10.3891 -10.1034 -10.1034 -10.0375 -10.0375 -2.0968 -2.0968 -1.0364 -1.0364 0.1899 0.1899 0.3704 0.3704 0.8028 0.8028 1.0375 1.0375 1.1941 1.1941 1.2766 1.2766 1.9047 1.9047 2.2508 2.2508 2.3973 2.3973 2.5541 2.5541 3.9395 3.9395 4.2008 4.2008 4.2840 4.2840 4.4954 4.4954 4.9336 4.9336 5.2942 5.2942 5.5425 5.5425 5.7262 5.7262 6.0353 6.0353 6.1709 6.1709 6.2881 6.2881 9.9783 9.9783 10.3385 10.3385 12.8757 12.8757 12.9005 12.9005 13.9805 13.9805 14.6636 14.6636 k = 0.4917 0.3031-0.0000 ( 4200 PWs) bands (ev): -12.0041 -12.0041 -11.6047 -11.6047 -10.8595 -10.8595 -10.3888 -10.3888 -10.1056 -10.1056 -10.0352 -10.0352 -2.0950 -2.0950 -1.0383 -1.0383 0.1902 0.1902 0.3704 0.3704 0.8026 0.8026 1.0369 1.0369 1.1954 1.1954 1.2768 1.2768 1.9032 1.9032 2.2535 2.2535 2.3970 2.3970 2.5563 2.5563 3.9309 3.9309 4.2046 4.2046 4.2674 4.2674 4.5099 4.5099 4.9345 4.9345 5.2907 5.2907 5.5481 5.5481 5.7281 5.7281 6.0353 6.0353 6.1707 6.1707 6.2884 6.2884 9.9790 9.9790 10.3385 10.3385 12.8656 12.8656 12.9091 12.9091 13.9713 13.9713 14.6719 14.6719 k = 0.4833 0.3175-0.0000 ( 4198 PWs) bands (ev): -12.0020 -12.0020 -11.6044 -11.6044 -10.8641 -10.8641 -10.3878 -10.3878 -10.1112 -10.1112 -10.0290 -10.0290 -2.0898 -2.0898 -1.0440 -1.0440 0.1910 0.1910 0.3703 0.3703 0.8019 0.8019 1.0351 1.0351 1.1992 1.1992 1.2774 1.2774 1.8991 1.8991 2.2609 2.2609 2.3965 2.3965 2.5627 2.5627 3.9069 3.9069 4.2105 4.2105 4.2306 4.2306 4.5442 4.5442 4.9370 4.9370 5.2811 5.2811 5.5637 5.5637 5.7337 5.7337 6.0356 6.0356 6.1698 6.1698 6.2891 6.2891 9.9808 9.9808 10.3383 10.3383 12.8474 12.8474 12.9228 12.9228 13.9450 13.9450 14.6954 14.6954 k = 0.4750 0.3320-0.0000 ( 4200 PWs) bands (ev): -11.9984 -11.9984 -11.6039 -11.6039 -10.8716 -10.8716 -10.3863 -10.3863 -10.1189 -10.1189 -10.0204 -10.0204 -2.0812 -2.0812 -1.0534 -1.0534 0.1921 0.1921 0.3703 0.3703 0.8008 0.8008 1.0327 1.0327 1.2044 1.2044 1.2785 1.2785 1.8935 1.8935 2.2714 2.2714 2.3969 2.3969 2.5727 2.5727 3.8710 3.8710 4.1693 4.1693 4.2320 4.2320 4.5862 4.5862 4.9412 4.9412 5.2672 5.2672 5.5872 5.5872 5.7430 5.7430 6.0360 6.0360 6.1683 6.1683 6.2903 6.2903 9.9839 9.9839 10.3379 10.3379 12.8266 12.8266 12.9362 12.9362 13.9052 13.9052 14.7307 14.7307 k = 0.4667 0.3464-0.0000 ( 4200 PWs) bands (ev): -11.9934 -11.9934 -11.6033 -11.6033 -10.8818 -10.8818 -10.3841 -10.3841 -10.1278 -10.1278 -10.0104 -10.0104 -2.0692 -2.0692 -1.0663 -1.0663 0.1935 0.1935 0.3704 0.3704 0.7994 0.7994 1.0303 1.0303 1.2098 1.2098 1.2803 1.2803 1.8878 1.8878 2.2822 2.2822 2.4003 2.4003 2.5860 2.5860 3.8267 3.8267 4.1097 4.1097 4.2459 4.2459 4.6298 4.6298 4.9471 4.9471 5.2508 5.2508 5.6159 5.6159 5.7560 5.7560 6.0368 6.0368 6.1662 6.1662 6.2920 6.2920 9.9883 9.9883 10.3373 10.3373 12.8043 12.8043 12.9484 12.9484 13.8557 13.8557 14.7739 14.7739 k = 0.4583 0.3608-0.0000 ( 4196 PWs) bands (ev): -11.9869 -11.9869 -11.6027 -11.6027 -10.8946 -10.8946 -10.3814 -10.3814 -10.1371 -10.1371 -9.9998 -9.9998 -2.0539 -2.0539 -1.0826 -1.0826 0.1949 0.1949 0.3707 0.3707 0.7978 0.7978 1.0285 1.0285 1.2143 1.2143 1.2828 1.2828 1.8837 1.8837 2.2906 2.2906 2.4087 2.4087 2.6021 2.6021 3.7764 3.7764 4.0457 4.0457 4.2593 4.2593 4.6725 4.6725 4.9547 4.9547 5.2333 5.2333 5.6477 5.6477 5.7727 5.7727 6.0380 6.0380 6.1634 6.1634 6.2941 6.2941 9.9939 9.9939 10.3366 10.3366 12.7808 12.7808 12.9592 12.9592 13.8001 13.8001 14.8220 14.8220 k = 0.4500 0.3753-0.0000 ( 4184 PWs) bands (ev): -11.9791 -11.9791 -11.6021 -11.6021 -10.9096 -10.9096 -10.3780 -10.3780 -10.1467 -10.1467 -9.9890 -9.9890 -2.0355 -2.0355 -1.1020 -1.1020 0.1961 0.1961 0.3715 0.3715 0.7961 0.7961 1.0276 1.0276 1.2169 1.2169 1.2860 1.2860 1.8824 1.8824 2.2947 2.2947 2.4234 2.4234 2.6204 2.6204 3.7219 3.7219 3.9790 3.9790 4.2710 4.2710 4.7129 4.7129 4.9641 4.9641 5.2155 5.2155 5.6804 5.6804 5.7933 5.7933 6.0398 6.0398 6.1600 6.1600 6.2965 6.2965 10.0009 10.0009 10.3355 10.3355 12.7563 12.7563 12.9686 12.9686 13.7409 13.7409 14.8724 14.8724 k = 0.4417 0.3897-0.0000 ( 4188 PWs) bands (ev): -11.9698 -11.9698 -11.6017 -11.6017 -10.9265 -10.9265 -10.3741 -10.3741 -10.1563 -10.1563 -9.9783 -9.9783 -2.0140 -2.0140 -1.1243 -1.1243 0.1969 0.1969 0.3726 0.3726 0.7943 0.7943 1.0279 1.0279 1.2172 1.2172 1.2892 1.2892 1.8849 1.8849 2.2944 2.2944 2.4438 2.4438 2.6406 2.6406 3.6647 3.6647 3.9104 3.9104 4.2806 4.2806 4.7504 4.7504 4.9752 4.9752 5.1978 5.1978 5.7124 5.7124 5.8176 5.8176 6.0425 6.0425 6.1558 6.1558 6.2992 6.2992 10.0090 10.0090 10.3342 10.3342 12.7310 12.7310 12.9766 12.9766 13.6803 13.6803 14.9235 14.9235 k = 0.4333 0.4041-0.0000 ( 4190 PWs) bands (ev): -11.9592 -11.9592 -11.6017 -11.6017 -10.9450 -10.9450 -10.3696 -10.3696 -10.1658 -10.1658 -9.9679 -9.9679 -1.9896 -1.9896 -1.1492 -1.1492 0.1971 0.1971 0.3743 0.3743 0.7926 0.7926 1.0296 1.0296 1.2151 1.2151 1.2921 1.2921 1.8917 1.8917 2.2911 2.2911 2.4683 2.4683 2.6625 2.6625 3.6058 3.6058 3.8403 3.8403 4.2880 4.2880 4.7847 4.7847 4.9880 4.9880 5.1806 5.1806 5.7424 5.7424 5.8450 5.8450 6.0467 6.0467 6.1509 6.1509 6.3020 6.3020 10.0185 10.0185 10.3324 10.3324 12.7052 12.7052 12.9831 12.9831 13.6197 13.6197 14.9741 14.9741 k = 0.4250 0.4186-0.0000 ( 4190 PWs) bands (ev): -11.9472 -11.9472 -11.6023 -11.6023 -10.9645 -10.9645 -10.3645 -10.3645 -10.1754 -10.1754 -9.9579 -9.9579 -1.9626 -1.9626 -1.1765 -1.1765 0.1967 0.1967 0.3764 0.3764 0.7911 0.7911 1.0326 1.0326 1.2109 1.2109 1.2941 1.2941 1.9031 1.9031 2.2859 2.2859 2.4954 2.4954 2.6857 2.6857 3.5464 3.5464 3.7692 3.7692 4.2934 4.2934 4.8155 4.8155 5.0023 5.0023 5.1640 5.1640 5.7700 5.7700 5.8739 5.8739 6.0533 6.0533 6.1453 6.1453 6.3047 6.3047 10.0292 10.0292 10.3301 10.3301 12.6794 12.6794 12.9883 12.9883 13.5606 13.5606 15.0235 15.0235 k = 0.4167 0.4330-0.0000 ( 4182 PWs) bands (ev): -11.9338 -11.9338 -11.6037 -11.6037 -10.9847 -10.9847 -10.3589 -10.3589 -10.1849 -10.1849 -9.9485 -9.9485 -1.9331 -1.9331 -1.2058 -1.2058 0.1959 0.1959 0.3790 0.3790 0.7898 0.7898 1.0371 1.0371 1.2049 1.2049 1.2952 1.2952 1.9185 1.9185 2.2800 2.2800 2.5239 2.5239 2.7101 2.7101 3.4874 3.4874 3.6974 3.6974 4.2970 4.2970 4.8430 4.8430 5.0176 5.0176 5.1480 5.1480 5.7954 5.7954 5.9020 5.9020 6.0633 6.0633 6.1390 6.1390 6.3073 6.3073 10.0412 10.0412 10.3273 10.3273 12.6536 12.6536 12.9921 12.9921 13.5040 13.5040 15.0713 15.0713 k = 0.4083 0.4474-0.0000 ( 4176 PWs) bands (ev): -11.9191 -11.9191 -11.6062 -11.6062 -11.0050 -11.0050 -10.3528 -10.3528 -10.1943 -10.1943 -9.9398 -9.9398 -1.9013 -1.9013 -1.2369 -1.2369 0.1945 0.1945 0.3817 0.3817 0.7888 0.7888 1.0428 1.0428 1.1975 1.1975 1.2954 1.2954 1.9373 1.9373 2.2741 2.2741 2.5531 2.5531 2.7353 2.7353 3.4299 3.4299 3.6253 3.6253 4.2990 4.2990 4.8675 4.8675 5.0337 5.0337 5.1328 5.1328 5.8189 5.8189 5.9266 5.9266 6.0779 6.0779 6.1321 6.1321 6.3094 6.3094 10.0545 10.0545 10.3237 10.3237 12.6284 12.6284 12.9945 12.9945 13.4508 13.4508 15.1170 15.1170 k = 0.4000 0.4619-0.0000 ( 4177 PWs) bands (ev): -11.9031 -11.9031 -11.6102 -11.6102 -11.0250 -11.0250 -10.3463 -10.3463 -10.2037 -10.2037 -9.9318 -9.9318 -1.8676 -1.8676 -1.2696 -1.2696 0.1928 0.1928 0.3845 0.3845 0.7881 0.7881 1.0497 1.0497 1.1889 1.1889 1.2946 1.2946 1.9582 1.9582 2.2688 2.2688 2.5827 2.5827 2.7611 2.7611 3.3747 3.3747 3.5531 3.5531 4.2997 4.2997 4.8893 4.8893 5.0499 5.0499 5.1182 5.1182 5.8407 5.8407 5.9460 5.9460 6.0971 6.0971 6.1252 6.1252 6.3109 6.3109 10.0690 10.0690 10.3192 10.3192 12.6041 12.6041 12.9954 12.9954 13.4018 13.4018 15.1606 15.1606 k = 0.3917 0.4763-0.0000 ( 4177 PWs) bands (ev): -11.8857 -11.8857 -11.6160 -11.6160 -11.0439 -11.0439 -10.3392 -10.3392 -10.2132 -10.2132 -9.9247 -9.9247 -1.8321 -1.8321 -1.3037 -1.3037 0.1910 0.1910 0.3872 0.3872 0.7876 0.7876 1.0573 1.0573 1.1799 1.1799 1.2931 1.2931 1.9797 1.9797 2.2647 2.2647 2.6123 2.6123 2.7870 2.7870 3.3229 3.3229 3.4814 3.4814 4.2995 4.2995 4.9089 4.9089 5.0655 5.0655 5.1043 5.1043 5.8610 5.8610 5.9602 5.9602 6.1111 6.1111 6.1273 6.1273 6.3116 6.3116 10.0846 10.0846 10.3135 10.3135 12.5811 12.5811 12.9948 12.9948 13.3580 13.3580 15.2021 15.2021 k = 0.3833 0.4907-0.0000 ( 4179 PWs) bands (ev): -11.8671 -11.8671 -11.6239 -11.6239 -11.0614 -11.0614 -10.3318 -10.3318 -10.2226 -10.2226 -9.9185 -9.9185 -1.7952 -1.7952 -1.3388 -1.3388 0.1891 0.1891 0.3898 0.3898 0.7873 0.7873 1.0655 1.0655 1.1709 1.1709 1.2911 1.2911 2.0004 2.0004 2.2622 2.2622 2.6421 2.6421 2.8125 2.8125 3.2754 3.2754 3.4107 3.4107 4.2985 4.2985 4.9268 4.9268 5.0796 5.0796 5.0916 5.0916 5.8794 5.8794 5.9706 5.9706 6.1047 6.1047 6.1516 6.1516 6.3113 6.3113 10.1015 10.1015 10.3066 10.3066 12.5598 12.5598 12.9928 12.9928 13.3198 13.3198 15.2416 15.2416 k = 0.3750 0.5052-0.0000 ( 4179 PWs) bands (ev): -11.8473 -11.8473 -11.6343 -11.6343 -11.0770 -11.0770 -10.3239 -10.3239 -10.2320 -10.2320 -9.9132 -9.9132 -1.7573 -1.7573 -1.3748 -1.3748 0.1873 0.1873 0.3921 0.3921 0.7872 0.7872 1.0739 1.0739 1.1624 1.1624 1.2887 1.2887 2.0188 2.0188 2.2617 2.2617 2.6722 2.6722 2.8368 2.8368 3.2332 3.2332 3.3422 3.3422 4.2970 4.2970 4.9434 4.9434 5.0767 5.0767 5.0946 5.0946 5.8955 5.8955 5.9791 5.9791 6.0955 6.0955 6.1786 6.1786 6.3097 6.3097 10.1194 10.1194 10.2982 10.2982 12.5407 12.5407 12.9893 12.9893 13.2880 13.2880 15.2792 15.2792 k = 0.3667 0.5196-0.0000 ( 4179 PWs) bands (ev): -11.8262 -11.8262 -11.6474 -11.6474 -11.0901 -11.0901 -10.3156 -10.3156 -10.2414 -10.2414 -9.9089 -9.9089 -1.7186 -1.7186 -1.4115 -1.4115 0.1857 0.1857 0.3941 0.3941 0.7871 0.7871 1.0818 1.0818 1.1551 1.1551 1.2861 1.2861 2.0335 2.0335 2.2631 2.2631 2.7031 2.7031 2.8584 2.8584 3.1970 3.1970 3.2772 3.2772 4.2953 4.2953 4.9589 4.9589 5.0644 5.0644 5.1057 5.1057 5.9088 5.9088 5.9872 5.9872 6.0856 6.0856 6.2045 6.2045 6.3069 6.3069 10.1383 10.1383 10.2879 10.2879 12.5241 12.5241 12.9848 12.9848 13.2626 13.2626 15.3151 15.3151 k = 0.3583 0.5340-0.0000 ( 4179 PWs) bands (ev): -11.8040 -11.8040 -11.6634 -11.6634 -11.1004 -11.1004 -10.3070 -10.3070 -10.2509 -10.2509 -9.9056 -9.9056 -1.6795 -1.6795 -1.4487 -1.4487 0.1844 0.1844 0.3957 0.3957 0.7872 0.7872 1.0887 1.0887 1.1493 1.1493 1.2835 1.2835 2.0441 2.0441 2.2658 2.2658 2.7353 2.7353 2.8747 2.8747 3.1674 3.1674 3.2191 3.2191 4.2937 4.2937 4.9735 4.9735 5.0519 5.0519 5.1150 5.1150 5.9186 5.9186 5.9960 5.9960 6.0752 6.0752 6.2279 6.2279 6.3026 6.3026 10.1581 10.1581 10.2756 10.2756 12.5105 12.5105 12.9798 12.9798 13.2437 13.2437 15.3494 15.3495 k = 0.3500 0.5485-0.0000 ( 4171 PWs) bands (ev): -11.7807 -11.7807 -11.6824 -11.6824 -11.1078 -11.1078 -10.2981 -10.2981 -10.2604 -10.2604 -9.9032 -9.9032 -1.6404 -1.6404 -1.4861 -1.4861 0.1835 0.1835 0.3969 0.3969 0.7872 0.7872 1.0940 1.0940 1.1454 1.1454 1.2813 1.2813 2.0507 2.0507 2.2690 2.2690 2.7690 2.7690 2.8814 2.8814 3.1437 3.1437 3.1736 3.1736 4.2922 4.2922 4.9876 4.9876 5.0395 5.0395 5.1218 5.1218 5.9250 5.9250 6.0057 6.0057 6.0649 6.0649 6.2479 6.2479 6.2971 6.2971 10.1787 10.1787 10.2609 10.2609 12.5003 12.5003 12.9751 12.9751 13.2309 13.2309 15.3826 15.3828 k = 0.3417 0.5629-0.0000 ( 4187 PWs) bands (ev): -11.7566 -11.7566 -11.7040 -11.7040 -11.1122 -11.1122 -10.2889 -10.2889 -10.2699 -10.2699 -9.9018 -9.9018 -1.6021 -1.6021 -1.5233 -1.5233 0.1829 0.1829 0.3976 0.3976 0.7872 0.7872 1.0974 1.0974 1.1432 1.1432 1.2796 1.2796 2.0540 2.0540 2.2713 2.2713 2.8043 2.8043 2.8722 2.8722 3.1252 3.1252 3.1484 3.1484 4.2912 4.2912 5.0011 5.0011 5.0269 5.0269 5.1261 5.1261 5.9284 5.9284 6.0149 6.0149 6.0557 6.0557 6.2629 6.2629 6.2908 6.2908 10.1998 10.1998 10.2436 10.2436 12.4939 12.4939 12.9716 12.9716 13.2237 13.2237 15.4151 15.4166 k = 0.3333 0.5774-0.0000 ( 4185 PWs) bands (ev): -11.7373 -11.7373 -11.7226 -11.7226 -11.1136 -11.1136 -10.2802 -10.2802 -10.2787 -10.2787 -9.9013 -9.9013 -1.5724 -1.5724 -1.5525 -1.5525 0.1827 0.1827 0.3979 0.3979 0.7872 0.7872 1.0985 1.0985 1.1425 1.1425 1.2789 1.2789 2.0548 2.0548 2.2722 2.2722 2.8339 2.8339 2.8509 2.8509 3.1179 3.1179 3.1416 3.1416 4.2909 4.2909 5.0136 5.0136 5.0147 5.0147 5.1275 5.1275 5.9294 5.9294 6.0195 6.0195 6.0513 6.0513 6.2696 6.2696 6.2872 6.2872 10.2172 10.2172 10.2275 10.2275 12.4917 12.4917 12.9703 12.9703 13.2214 13.2214 15.4429 15.4430 k = 0.3333 0.5774-0.0000 ( 4185 PWs) bands (ev): -11.7373 -11.7373 -11.7226 -11.7226 -11.1136 -11.1136 -10.2802 -10.2802 -10.2787 -10.2787 -9.9013 -9.9013 -1.5724 -1.5724 -1.5525 -1.5525 0.1827 0.1827 0.3979 0.3979 0.7872 0.7872 1.0985 1.0985 1.1425 1.1425 1.2789 1.2789 2.0548 2.0548 2.2722 2.2722 2.8339 2.8339 2.8509 2.8509 3.1179 3.1179 3.1416 3.1416 4.2909 4.2909 5.0136 5.0136 5.0147 5.0147 5.1275 5.1275 5.9294 5.9294 6.0195 6.0195 6.0513 6.0513 6.2696 6.2696 6.2872 6.2872 10.2172 10.2172 10.2275 10.2275 12.4917 12.4917 12.9703 12.9703 13.2214 13.2214 15.4429 15.4433 k = 0.3250 0.5629-0.0000 ( 4185 PWs) bands (ev): -11.7583 -11.7583 -11.7022 -11.7022 -11.1123 -11.1123 -10.2890 -10.2890 -10.2698 -10.2698 -9.9017 -9.9017 -1.6016 -1.6016 -1.5238 -1.5238 0.1828 0.1828 0.3976 0.3976 0.7872 0.7872 1.0972 1.0972 1.1433 1.1433 1.2796 1.2796 2.0542 2.0542 2.2713 2.2713 2.7979 2.7979 2.8804 2.8804 3.1243 3.1243 3.1474 3.1474 4.2913 4.2913 5.0011 5.0011 5.0269 5.0269 5.1260 5.1260 5.9286 5.9286 6.0147 6.0147 6.0558 6.0558 6.2641 6.2641 6.2897 6.2897 10.1978 10.1978 10.2455 10.2455 12.4940 12.4940 12.9719 12.9719 13.2235 13.2235 15.4103 15.4107 k = 0.3167 0.5485-0.0000 ( 4181 PWs) bands (ev): -11.7874 -11.7874 -11.6750 -11.6750 -11.1083 -11.1083 -10.2986 -10.2986 -10.2601 -10.2601 -9.9031 -9.9031 -1.6386 -1.6386 -1.4885 -1.4885 0.1833 0.1833 0.3966 0.3966 0.7871 0.7871 1.0926 1.0926 1.1459 1.1459 1.2818 1.2818 2.0529 2.0529 2.2688 2.2688 2.7469 2.7469 2.9152 2.9152 3.1408 3.1408 3.1640 3.1640 4.2927 4.2927 4.9876 4.9876 5.0391 5.0391 5.1216 5.1216 5.9264 5.9264 6.0039 6.0039 6.0653 6.0653 6.2534 6.2534 6.2913 6.2913 10.1703 10.1703 10.2680 10.2680 12.5011 12.5011 12.9770 12.9770 13.2294 13.2294 15.3663 15.3664 k = 0.3083 0.5340-0.0000 ( 4177 PWs) bands (ev): -11.8188 -11.8188 -11.6465 -11.6465 -11.1021 -11.1021 -10.3080 -10.3080 -10.2501 -10.2501 -9.9053 -9.9053 -1.6757 -1.6757 -1.4544 -1.4544 0.1841 0.1841 0.3948 0.3948 0.7870 0.7870 1.0843 1.0843 1.1510 1.1510 1.2852 1.2852 2.0514 2.0514 2.2651 2.2651 2.6933 2.6933 2.9462 2.9462 3.1644 3.1644 3.1908 3.1908 4.2951 4.2951 4.9736 4.9736 5.0508 5.0508 5.1143 5.1143 5.9232 5.9232 5.9909 5.9909 6.0756 6.0756 6.2408 6.2408 6.2890 6.2890 10.1386 10.1386 10.2910 10.2910 12.5133 12.5133 12.9861 12.9861 13.2388 13.2388 15.3166 15.3166 k = 0.3000 0.5196-0.0000 ( 4181 PWs) bands (ev): -11.8518 -11.8518 -11.6170 -11.6170 -11.0938 -11.0938 -10.3175 -10.3175 -10.2402 -10.2402 -9.9084 -9.9084 -1.7125 -1.7125 -1.4221 -1.4221 0.1849 0.1849 0.3919 0.3919 0.7866 0.7866 1.0723 1.0723 1.1587 1.1587 1.2898 1.2898 2.0500 2.0500 2.2606 2.2606 2.6408 2.6408 2.9719 2.9719 3.1914 3.1914 3.2290 3.2290 4.2987 4.2987 4.9589 4.9589 5.0607 5.0607 5.1051 5.1051 5.9191 5.9191 5.9766 5.9766 6.0853 6.0853 6.2271 6.2271 6.2824 6.2824 10.1026 10.1026 10.3142 10.3142 12.5306 12.5306 12.9992 12.9992 13.2513 13.2513 15.2625 15.2625 k = 0.2917 0.5052-0.0000 ( 4177 PWs) bands (ev): -11.8860 -11.8860 -11.5866 -11.5866 -11.0838 -11.0838 -10.3269 -10.3269 -10.2301 -10.2301 -9.9122 -9.9122 -1.7489 -1.7489 -1.3919 -1.3919 0.1858 0.1858 0.3877 0.3877 0.7861 0.7861 1.0573 1.0573 1.1687 1.1687 1.2957 1.2957 2.0486 2.0486 2.2556 2.2556 2.5924 2.5924 2.9925 2.9925 3.2188 3.2188 3.2784 3.2784 4.3035 4.3035 4.9436 4.9436 5.0644 5.0644 5.0985 5.0985 5.9142 5.9142 5.9614 5.9614 6.0936 6.0936 6.2128 6.2128 6.2717 6.2717 10.0621 10.0621 10.3374 10.3374 12.5532 12.5532 13.0163 13.0163 13.2667 13.2667 15.2053 15.2053 k = 0.2833 0.4907-0.0000 ( 4179 PWs) bands (ev): -11.9212 -11.9212 -11.5554 -11.5554 -11.0722 -11.0722 -10.3362 -10.3362 -10.2201 -10.2201 -9.9167 -9.9167 -1.7846 -1.7846 -1.3642 -1.3642 0.1866 0.1866 0.3817 0.3817 0.7854 0.7854 1.0402 1.0402 1.1798 1.1798 1.3031 1.3031 2.0466 2.0466 2.2503 2.2503 2.5503 2.5503 3.0093 3.0093 3.2459 3.2459 3.3369 3.3369 4.3097 4.3097 4.9277 4.9277 5.0545 5.0545 5.1019 5.1019 5.9083 5.9083 5.9455 5.9455 6.0996 6.0996 6.1983 6.1983 6.2574 6.2574 10.0169 10.0169 10.3604 10.3604 12.5812 12.5812 13.0370 13.0370 13.2850 13.2850 15.1460 15.1460 k = 0.2750 0.4763-0.0000 ( 4177 PWs) bands (ev): -11.9570 -11.9570 -11.5234 -11.5234 -11.0592 -11.0592 -10.3455 -10.3455 -10.2101 -10.2101 -9.9220 -9.9220 -1.8197 -1.8197 -1.3389 -1.3389 0.1871 0.1871 0.3736 0.3736 0.7843 0.7843 1.0220 1.0220 1.1905 1.1905 1.3131 1.3131 2.0428 2.0428 2.2453 2.2453 2.5170 2.5170 3.0236 3.0236 3.2727 3.2727 3.4019 3.4019 4.3172 4.3172 4.9110 4.9110 5.0344 5.0344 5.1119 5.1119 5.9011 5.9011 5.9292 5.9292 6.1020 6.1020 6.1840 6.1840 6.2410 6.2410 9.9671 9.9671 10.3832 10.3832 12.6143 12.6143 13.0608 13.0608 13.3061 13.3061 15.0857 15.0857 k = 0.2667 0.4619-0.0000 ( 4179 PWs) bands (ev): -11.9933 -11.9933 -11.4907 -11.4907 -11.0452 -11.0452 -10.3546 -10.3546 -10.2003 -10.2003 -9.9278 -9.9278 -1.8540 -1.8540 -1.3163 -1.3163 0.1872 0.1872 0.3630 0.3630 0.7830 0.7830 1.0036 1.0036 1.1992 1.1992 1.3271 1.3271 2.0356 2.0356 2.2418 2.2418 2.4940 2.4940 3.0361 3.0361 3.2988 3.2988 3.4716 3.4716 4.3261 4.3261 4.8936 4.8936 5.0085 5.0085 5.1241 5.1241 5.8917 5.8917 5.9134 5.9134 6.0989 6.0989 6.1705 6.1705 6.2243 6.2243 9.9124 9.9124 10.4056 10.4056 12.6526 12.6526 13.0867 13.0867 13.3302 13.3302 15.0254 15.0254 k = 0.2583 0.4474-0.0000 ( 4187 PWs) bands (ev): -12.0297 -12.0297 -11.4574 -11.4574 -11.0303 -11.0303 -10.3636 -10.3636 -10.1905 -10.1905 -9.9342 -9.9342 -1.8876 -1.8876 -1.2964 -1.2964 0.1867 0.1867 0.3495 0.3495 0.7814 0.7814 0.9856 0.9856 1.2043 1.2043 1.3463 1.3463 2.0230 2.0230 2.2420 2.2420 2.4817 2.4817 3.0477 3.0477 3.3241 3.3241 3.5449 3.5449 4.3362 4.3362 4.8757 4.8757 4.9782 4.9782 5.1372 5.1372 5.8785 5.8785 5.8995 5.8995 6.0874 6.0874 6.1579 6.1579 6.2102 6.2102 9.8531 9.8531 10.4276 10.4276 12.6956 12.6956 13.1137 13.1137 13.3577 13.3577 14.9661 14.9661 k = 0.2500 0.4330-0.0000 ( 4181 PWs) bands (ev): -12.0662 -12.0662 -11.4235 -11.4235 -11.0146 -11.0146 -10.3725 -10.3725 -10.1809 -10.1809 -9.9411 -9.9411 -1.9202 -1.9202 -1.2793 -1.2793 0.1853 0.1853 0.3329 0.3329 0.7797 0.7797 0.9686 0.9686 1.2050 1.2050 1.3714 1.3714 2.0043 2.0043 2.2481 2.2481 2.4794 2.4794 3.0586 3.0586 3.3482 3.3482 3.6207 3.6207 4.3477 4.3477 4.8573 4.8573 4.9440 4.9440 5.1510 5.1510 5.8609 5.8609 5.8879 5.8879 6.0665 6.0665 6.1462 6.1462 6.2011 6.2011 9.7891 9.7891 10.4490 10.4490 12.7429 12.7429 13.1403 13.1403 13.3889 13.3889 14.9091 14.9091 k = 0.2417 0.4186-0.0000 ( 4179 PWs) bands (ev): -12.1025 -12.1025 -11.3892 -11.3892 -10.9983 -10.9983 -10.3812 -10.3812 -10.1716 -10.1716 -9.9483 -9.9483 -1.9518 -1.9518 -1.2647 -1.2647 0.1828 0.1828 0.3129 0.3129 0.7778 0.7778 0.9531 0.9531 1.2017 1.2017 1.4020 1.4020 1.9804 1.9804 2.2611 2.2611 2.4854 2.4854 3.0692 3.0692 3.3711 3.3711 3.6983 3.6983 4.3602 4.3602 4.8386 4.8386 4.9063 4.9063 5.1652 5.1652 5.8407 5.8407 5.8765 5.8765 6.0371 6.0371 6.1350 6.1350 6.1968 6.1968 9.7206 9.7206 10.4697 10.4697 12.7939 12.7939 13.1650 13.1650 13.4246 13.4246 14.8556 14.8556 k = 0.2333 0.4041-0.0000 ( 4181 PWs) bands (ev): -12.1385 -12.1385 -11.3544 -11.3544 -10.9815 -10.9815 -10.3898 -10.3898 -10.1625 -10.1625 -9.9560 -9.9560 -1.9825 -1.9825 -1.2528 -1.2528 0.1788 0.1788 0.2896 0.2896 0.7760 0.7760 0.9391 0.9391 1.1952 1.1952 1.4374 1.4374 1.9533 1.9533 2.2805 2.2805 2.4983 2.4983 3.0799 3.0799 3.3925 3.3925 3.7772 3.7772 4.3737 4.3737 4.8198 4.8198 4.8653 4.8653 5.1797 5.1797 5.8188 5.8188 5.8635 5.8635 6.0022 6.0022 6.1245 6.1245 6.1957 6.1957 9.6478 9.6478 10.4896 10.4896 12.8474 12.8474 13.1866 13.1866 13.4653 13.4653 14.8067 14.8067 k = 0.2250 0.3897-0.0000 ( 4197 PWs) bands (ev): -12.1741 -12.1741 -11.3193 -11.3193 -10.9644 -10.9644 -10.3982 -10.3982 -10.1538 -10.1538 -9.9639 -9.9639 -2.0121 -2.0121 -1.2434 -1.2434 0.1727 0.1727 0.2635 0.2635 0.7742 0.7742 0.9265 0.9265 1.1861 1.1861 1.4768 1.4768 1.9252 1.9252 2.3056 2.3056 2.5165 2.5165 3.0909 3.0909 3.4120 3.4120 3.8568 3.8568 4.3877 4.3877 4.8009 4.8009 4.8218 4.8218 5.1947 5.1947 5.7959 5.7959 5.8469 5.8469 5.9652 5.9652 6.1147 6.1147 6.1961 6.1961 9.5709 9.5709 10.5087 10.5087 12.9015 12.9015 13.2050 13.2050 13.5113 13.5113 14.7637 14.7637 k = 0.2167 0.3753-0.0000 ( 4193 PWs) bands (ev): -12.2091 -12.2091 -11.2839 -11.2839 -10.9470 -10.9470 -10.4064 -10.4064 -10.1454 -10.1454 -9.9721 -9.9721 -2.0406 -2.0406 -1.2363 -1.2363 0.1639 0.1639 0.2353 0.2353 0.7727 0.7727 0.9153 0.9153 1.1757 1.1757 1.5198 1.5198 1.8978 1.8978 2.3354 2.3354 2.5389 2.5389 3.1026 3.1026 3.4296 3.4296 3.9367 3.9367 4.4019 4.4019 4.7727 4.7727 4.7859 4.7859 5.2099 5.2099 5.7721 5.7721 5.8235 5.8235 5.9306 5.9306 6.1057 6.1057 6.1972 6.1972 9.4901 9.4901 10.5270 10.5270 12.9528 12.9528 13.2221 13.2221 13.5624 13.5624 14.7277 14.7277 k = 0.2083 0.3608-0.0000 ( 4189 PWs) bands (ev): -12.2434 -12.2434 -11.2483 -11.2483 -10.9295 -10.9295 -10.4144 -10.4144 -10.1374 -10.1374 -9.9803 -9.9803 -2.0679 -2.0679 -1.2314 -1.2314 0.1510 0.1510 0.2065 0.2065 0.7712 0.7712 0.9052 0.9052 1.1646 1.1646 1.5656 1.5656 1.8725 1.8725 2.3689 2.3689 2.5648 2.5648 3.1153 3.1153 3.4449 3.4449 4.0164 4.0164 4.4157 4.4157 4.7253 4.7253 4.7686 4.7686 5.2254 5.2254 5.7472 5.7472 5.7907 5.7907 5.9027 5.9027 6.0975 6.0975 6.1983 6.1983 9.4057 9.4057 10.5443 10.5443 12.9950 12.9950 13.2430 13.2430 13.6183 13.6183 14.6995 14.6995 k = 0.2000 0.3464-0.0000 ( 4193 PWs) bands (ev): -12.2770 -12.2770 -11.2127 -11.2127 -10.9120 -10.9120 -10.4223 -10.4223 -10.1298 -10.1298 -9.9887 -9.9887 -2.0941 -2.0941 -1.2285 -1.2285 0.1318 0.1318 0.1795 0.1795 0.7698 0.7698 0.8959 0.8959 1.1537 1.1537 1.6140 1.6140 1.8501 1.8501 2.4052 2.4052 2.5933 2.5933 3.1295 3.1295 3.4577 3.4577 4.0952 4.0952 4.4282 4.4282 4.6754 4.6754 4.7545 4.7545 5.2409 5.2409 5.7195 5.7195 5.7504 5.7504 5.8820 5.8820 6.0899 6.0899 6.1993 6.1993 9.3179 9.3179 10.5605 10.5605 13.0197 13.0197 13.2756 13.2756 13.6781 13.6781 14.6798 14.6798 k = 0.1917 0.3320-0.0000 ( 4187 PWs) bands (ev): -12.3097 -12.3097 -11.1770 -11.1770 -10.8946 -10.8946 -10.4299 -10.4299 -10.1227 -10.1227 -9.9970 -9.9970 -2.1190 -2.1190 -1.2274 -1.2274 0.1048 0.1048 0.1562 0.1562 0.7682 0.7682 0.8876 0.8876 1.1435 1.1435 1.6640 1.6640 1.8319 1.8319 2.4435 2.4435 2.6237 2.6237 3.1456 3.1456 3.4676 3.4676 4.1725 4.1725 4.4386 4.4386 4.6246 4.6246 4.7438 4.7438 5.2565 5.2565 5.6817 5.6817 5.7138 5.7138 5.8662 5.8662 6.0828 6.0828 6.1999 6.1999 9.2272 9.2272 10.5758 10.5758 13.0219 13.0219 13.3246 13.3246 13.7413 13.7413 14.6687 14.6687 k = 0.1833 0.3175-0.0000 ( 4193 PWs) bands (ev): -12.3415 -12.3415 -11.1414 -11.1414 -10.8773 -10.8773 -10.4374 -10.4374 -10.1161 -10.1161 -10.0053 -10.0053 -2.1428 -2.1428 -1.2279 -1.2279 0.0718 0.0718 0.1350 0.1350 0.7663 0.7663 0.8799 0.8799 1.1347 1.1347 1.7139 1.7139 1.8194 1.8194 2.4829 2.4829 2.6556 2.6556 3.1642 3.1642 3.4743 3.4743 4.2471 4.2471 4.4460 4.4460 4.5735 4.5735 4.7376 4.7376 5.2718 5.2718 5.6314 5.6314 5.6865 5.6865 5.8531 5.8531 6.0761 6.0761 6.2001 6.2001 9.1337 9.1337 10.5899 10.5899 13.0039 13.0039 13.3880 13.3880 13.8070 13.8070 14.6658 14.6658 k = 0.1750 0.3031-0.0000 ( 4195 PWs) bands (ev): -12.3723 -12.3723 -11.1060 -11.1060 -10.8601 -10.8601 -10.4447 -10.4447 -10.1100 -10.1100 -10.0135 -10.0135 -2.1653 -2.1653 -1.2300 -1.2300 0.0358 0.0358 0.1134 0.1134 0.7641 0.7641 0.8730 0.8730 1.1275 1.1275 1.7562 1.7562 1.8206 1.8206 2.5224 2.5224 2.6882 2.6882 3.1859 3.1859 3.4775 3.4775 4.3171 4.3171 4.4500 4.4500 4.5234 4.5234 4.7367 4.7367 5.2865 5.2865 5.5768 5.5768 5.6631 5.6631 5.8415 5.8415 6.0696 6.0696 6.1997 6.1997 9.0378 9.0378 10.6030 10.6030 12.9707 12.9707 13.4612 13.4612 13.8747 13.8747 14.6707 14.6707 k = 0.1667 0.2887-0.0000 ( 4193 PWs) bands (ev): -12.4020 -12.4020 -11.0709 -11.0709 -10.8433 -10.8433 -10.4519 -10.4519 -10.1045 -10.1045 -10.0214 -10.0214 -2.1865 -2.1865 -1.2333 -1.2333 -0.0015 -0.0015 0.0901 0.0901 0.7616 0.7616 0.8669 0.8669 1.1221 1.1221 1.7724 1.7724 1.8535 1.8535 2.5612 2.5612 2.7212 2.7212 3.2113 3.2113 3.4766 3.4766 4.3759 4.3759 4.4530 4.4530 4.4770 4.4770 4.7422 4.7422 5.3004 5.3004 5.5221 5.5221 5.6419 5.6419 5.8309 5.8309 6.0633 6.0633 6.1989 6.1989 8.9398 8.9398 10.6150 10.6150 12.9266 12.9266 13.5406 13.5406 13.9437 13.9437 14.6825 14.6825 k = 0.1583 0.2742-0.0000 ( 4193 PWs) bands (ev): -12.4306 -12.4306 -11.0361 -11.0361 -10.8268 -10.8268 -10.4589 -10.4589 -10.0996 -10.0996 -10.0290 -10.0290 -2.2065 -2.2065 -1.2377 -1.2377 -0.0392 -0.0392 0.0647 0.0647 0.7588 0.7588 0.8616 0.8616 1.1184 1.1184 1.7739 1.7739 1.9069 1.9069 2.5985 2.5985 2.7539 2.7539 3.2408 3.2408 3.4715 3.4715 4.3971 4.3971 4.4357 4.4357 4.4785 4.4785 4.7545 4.7545 5.3128 5.3128 5.4699 5.4699 5.6227 5.6227 5.8211 5.8211 6.0571 6.0571 6.1975 6.1975 8.8400 8.8400 10.6259 10.6259 12.8745 12.8745 13.6242 13.6242 14.0134 14.0134 14.7001 14.7001 k = 0.1500 0.2598-0.0000 ( 4189 PWs) bands (ev): -12.4580 -12.4580 -11.0019 -11.0019 -10.8107 -10.8107 -10.4658 -10.4658 -10.0954 -10.0954 -10.0364 -10.0364 -2.2252 -2.2252 -1.2431 -1.2431 -0.0767 -0.0767 0.0373 0.0373 0.7560 0.7560 0.8572 0.8572 1.1164 1.1164 1.7747 1.7747 1.9665 1.9665 2.6334 2.6334 2.7862 2.7862 3.2746 3.2746 3.4619 3.4619 4.3677 4.3677 4.4189 4.4189 4.5183 4.5183 4.7747 4.7747 5.3228 5.3228 5.4229 5.4229 5.6059 5.6059 5.8120 5.8120 6.0509 6.0509 6.1956 6.1956 8.7389 8.7389 10.6358 10.6358 12.8165 12.8165 13.7106 13.7106 14.0834 14.0834 14.7225 14.7225 k = 0.1417 0.2454-0.0000 ( 4189 PWs) bands (ev): -12.4842 -12.4842 -10.9683 -10.9683 -10.7951 -10.7951 -10.4726 -10.4726 -10.0918 -10.0918 -10.0433 -10.0433 -2.2427 -2.2427 -1.2492 -1.2492 -0.1137 -0.1137 0.0080 0.0080 0.7533 0.7533 0.8535 0.8535 1.1158 1.1158 1.7780 1.7780 2.0290 2.0290 2.6651 2.6651 2.8179 2.8179 3.3123 3.3123 3.4478 3.4478 4.3280 4.3280 4.4039 4.4039 4.5516 4.5516 4.8038 4.8038 5.3281 5.3281 5.3851 5.3851 5.5922 5.5922 5.8038 5.8038 6.0446 6.0446 6.1932 6.1932 8.6367 8.6367 10.6446 10.6446 12.7543 12.7543 13.7988 13.7988 14.1530 14.1530 14.7487 14.7487 k = 0.1333 0.2309-0.0000 ( 4193 PWs) bands (ev): -12.5091 -12.5091 -10.9354 -10.9354 -10.7798 -10.7798 -10.4793 -10.4793 -10.0888 -10.0888 -10.0498 -10.0498 -2.2589 -2.2589 -1.2560 -1.2560 -0.1497 -0.1497 -0.0228 -0.0228 0.7508 0.7508 0.8504 0.8504 1.1163 1.1163 1.7843 1.7843 2.0938 2.0938 2.6931 2.6931 2.8492 2.8492 3.3512 3.3512 3.4314 3.4314 4.2898 4.2898 4.3864 4.3864 4.5689 4.5689 4.8422 4.8422 5.3236 5.3236 5.3631 5.3631 5.5821 5.5821 5.7968 5.7968 6.0382 6.0382 6.1903 6.1903 8.5339 8.5339 10.6524 10.6524 12.6895 12.6895 13.8881 13.8881 14.2218 14.2218 14.7777 14.7777 k = 0.1250 0.2165-0.0000 ( 4191 PWs) bands (ev): -12.5327 -12.5327 -10.9034 -10.9034 -10.7651 -10.7651 -10.4860 -10.4860 -10.0865 -10.0865 -10.0558 -10.0558 -2.2738 -2.2738 -1.2632 -1.2632 -0.1847 -0.1847 -0.0544 -0.0544 0.7487 0.7487 0.8479 0.8479 1.1178 1.1178 1.7940 1.7940 2.1603 2.1603 2.7171 2.7171 2.8801 2.8801 3.3745 3.3745 3.4291 3.4291 4.2551 4.2551 4.3666 4.3666 4.5682 4.5682 4.8881 4.8881 5.3112 5.3112 5.3565 5.3565 5.5763 5.5763 5.7913 5.7913 6.0317 6.0317 6.1868 6.1868 8.4308 8.4308 10.6593 10.6593 12.6232 12.6232 13.9777 13.9777 14.2894 14.2894 14.8087 14.8087 k = 0.1167 0.2021-0.0000 ( 4193 PWs) bands (ev): -12.5549 -12.5549 -10.8725 -10.8725 -10.7508 -10.7508 -10.4927 -10.4927 -10.0849 -10.0849 -10.0613 -10.0613 -2.2876 -2.2876 -1.2708 -1.2708 -0.2183 -0.2183 -0.0865 -0.0865 0.7470 0.7470 0.8457 0.8457 1.1199 1.1199 1.8070 1.8070 2.2284 2.2284 2.7369 2.7369 2.9107 2.9107 3.3568 3.3568 3.4655 3.4655 4.2244 4.2244 4.3450 4.3450 4.5510 4.5510 4.9382 4.9382 5.3029 5.3029 5.3536 5.3536 5.5748 5.5748 5.7878 5.7878 6.0251 6.0251 6.1827 6.1827 8.3279 8.3279 10.6652 10.6652 12.5565 12.5565 14.0670 14.0670 14.3556 14.3556 14.8409 14.8409 k = 0.1083 0.1876-0.0000 ( 4203 PWs) bands (ev): -12.5757 -12.5757 -10.8427 -10.8427 -10.7370 -10.7370 -10.4993 -10.4993 -10.0840 -10.0840 -10.0661 -10.0661 -2.3001 -2.3001 -1.2785 -1.2785 -0.2505 -0.2505 -0.1184 -0.1184 0.7456 0.7456 0.8439 0.8439 1.1224 1.1224 1.8233 1.8233 2.2978 2.2978 2.7528 2.7528 2.9409 2.9409 3.3239 3.3239 3.5143 3.5143 4.1977 4.1977 4.3215 4.3215 4.5207 4.5207 4.9894 4.9894 5.3025 5.3025 5.3502 5.3502 5.5775 5.5775 5.7866 5.7866 6.0182 6.0182 6.1780 6.1780 8.2257 8.2257 10.6704 10.6704 12.4904 12.4904 14.1552 14.1552 14.4202 14.4202 14.8737 14.8737 k = 0.1000 0.1732-0.0000 ( 4201 PWs) bands (ev): -12.5951 -12.5951 -10.8142 -10.8142 -10.7237 -10.7237 -10.5059 -10.5059 -10.0840 -10.0840 -10.0702 -10.0702 -2.3115 -2.3115 -1.2863 -1.2863 -0.2811 -0.2811 -0.1497 -0.1497 0.7446 0.7446 0.8424 0.8424 1.1252 1.1252 1.8426 1.8426 2.3684 2.3684 2.7654 2.7654 2.9704 2.9704 3.2854 3.2854 3.5659 3.5659 4.1748 4.1748 4.2954 4.2954 4.4812 4.4812 5.0392 5.0392 5.3081 5.3081 5.3478 5.3478 5.5836 5.5836 5.7882 5.7882 6.0113 6.0113 6.1727 6.1727 8.1247 8.1247 10.6748 10.6748 12.4258 12.4258 14.2412 14.2412 14.4832 14.4832 14.9064 14.9064 k = 0.0917 0.1588-0.0000 ( 4197 PWs) bands (ev): -12.6131 -12.6131 -10.7872 -10.7872 -10.7107 -10.7107 -10.5126 -10.5126 -10.0847 -10.0847 -10.0735 -10.0735 -2.3217 -2.3217 -1.2940 -1.2940 -0.3100 -0.3100 -0.1797 -0.1797 0.7439 0.7439 0.8412 0.8412 1.1281 1.1281 1.8647 1.8647 2.4398 2.4398 2.7750 2.7750 2.9984 2.9984 3.2438 3.2438 3.6175 3.6175 4.1555 4.1555 4.2658 4.2658 4.4370 4.4370 5.0854 5.0854 5.3129 5.3129 5.3525 5.3525 5.5923 5.5923 5.7930 5.7930 6.0042 6.0042 6.1667 6.1667 8.0256 8.0256 10.6784 10.6784 12.3634 12.3634 14.3240 14.3240 14.5451 14.5451 14.9387 14.9387 k = 0.0833 0.1443-0.0000 ( 4201 PWs) bands (ev): -12.6295 -12.6295 -10.7620 -10.7620 -10.6981 -10.6981 -10.5193 -10.5193 -10.0862 -10.0862 -10.0760 -10.0760 -2.3309 -2.3309 -1.3015 -1.3015 -0.3372 -0.3372 -0.2082 -0.2082 0.7433 0.7433 0.8402 0.8402 1.1310 1.1310 1.8895 1.8895 2.5115 2.5115 2.7824 2.7824 3.0238 3.0238 3.2013 3.2013 3.6676 3.6676 4.1392 4.1392 4.2306 4.2306 4.3931 4.3931 5.1258 5.1258 5.3111 5.3111 5.3703 5.3703 5.6028 5.6028 5.8011 5.8011 5.9970 5.9970 6.1599 6.1599 7.9289 7.9289 10.6815 10.6815 12.3039 12.3039 14.4019 14.4019 14.6065 14.6065 14.9699 14.9699 k = 0.0750 0.1299-0.0000 ( 4201 PWs) bands (ev): -12.6445 -12.6445 -10.7388 -10.7388 -10.6858 -10.6858 -10.5261 -10.5261 -10.0883 -10.0883 -10.0780 -10.0780 -2.3390 -2.3390 -1.3086 -1.3086 -0.3625 -0.3625 -0.2346 -0.2346 0.7430 0.7430 0.8393 0.8393 1.1338 1.1338 1.9164 1.9164 2.5829 2.5829 2.7883 2.7883 3.0437 3.0437 3.1621 3.1621 3.7143 3.7143 4.1253 4.1253 4.1890 4.1890 4.3536 4.3536 5.1583 5.1583 5.3056 5.3056 5.3987 5.3987 5.6144 5.6144 5.8126 5.8126 5.9898 5.9898 6.1523 6.1523 7.8355 7.8355 10.6840 10.6840 12.2480 12.2480 14.4730 14.4730 14.6686 14.6686 14.9997 14.9997 k = 0.0667 0.1155-0.0000 ( 4201 PWs) bands (ev): -12.6579 -12.6579 -10.7178 -10.7178 -10.6735 -10.6735 -10.5329 -10.5329 -10.0905 -10.0905 -10.0797 -10.0797 -2.3461 -2.3461 -1.3154 -1.3154 -0.3857 -0.3857 -0.2587 -0.2587 0.7428 0.7428 0.8386 0.8386 1.1365 1.1365 1.9450 1.9450 2.6523 2.6523 2.7938 2.7938 3.0482 3.0482 3.1372 3.1372 3.7551 3.7551 4.1115 4.1115 4.1439 4.1439 4.3207 4.3207 5.1817 5.1817 5.2996 5.2996 5.4343 5.4343 5.6263 5.6263 5.8270 5.8270 5.9827 5.9827 6.1437 6.1437 7.7463 7.7463 10.6860 10.6860 12.1962 12.1962 14.5356 14.5356 14.7325 14.7325 15.0276 15.0276 k = 0.0583 0.1010-0.0000 ( 4189 PWs) bands (ev): -12.6698 -12.6698 -10.6994 -10.6994 -10.6614 -10.6614 -10.5397 -10.5397 -10.0926 -10.0926 -10.0812 -10.0812 -2.3522 -2.3522 -1.3216 -1.3216 -0.4068 -0.4068 -0.2803 -0.2803 0.7427 0.7427 0.8382 0.8382 1.1389 1.1389 1.9748 1.9748 2.7151 2.7151 2.8025 2.8025 3.0276 3.0276 3.1383 3.1383 3.7857 3.7857 4.0840 4.0840 4.1145 4.1145 4.2939 4.2939 5.1964 5.1964 5.2946 5.2946 5.4748 5.4748 5.6383 5.6383 5.8437 5.8437 5.9758 5.9758 6.1342 6.1342 7.6623 7.6623 10.6876 10.6876 12.1492 12.1492 14.5887 14.5887 14.7984 14.7984 15.0534 15.0534 k = 0.0500 0.0866-0.0000 ( 4191 PWs) bands (ev): -12.6802 -12.6802 -10.6835 -10.6835 -10.6493 -10.6493 -10.5465 -10.5465 -10.0947 -10.0947 -10.0826 -10.0826 -2.3575 -2.3575 -1.3272 -1.3272 -0.4256 -0.4256 -0.2991 -0.2991 0.7426 0.7426 0.8378 0.8378 1.1410 1.1410 2.0050 2.0050 2.7559 2.7559 2.8268 2.8268 2.9967 2.9967 3.1540 3.1540 3.7987 3.7987 4.0479 4.0479 4.1048 4.1048 4.2716 4.2716 5.2040 5.2040 5.2908 5.2908 5.5177 5.5177 5.6497 5.6497 5.8618 5.8618 5.9692 5.9692 6.1237 6.1237 7.5848 7.5848 10.6889 10.6889 12.1075 12.1075 14.6323 14.6323 14.8655 14.8655 15.0765 15.0765 k = 0.0417 0.0722-0.0000 ( 4195 PWs) bands (ev): -12.6890 -12.6890 -10.6703 -10.6703 -10.6377 -10.6377 -10.5533 -10.5533 -10.0965 -10.0965 -10.0840 -10.0840 -2.3618 -2.3618 -1.3320 -1.3320 -0.4419 -0.4419 -0.3152 -0.3152 0.7426 0.7426 0.8375 0.8375 1.1429 1.1429 2.0345 2.0345 2.7672 2.7672 2.8656 2.8656 2.9750 2.9750 3.1744 3.1744 3.7854 3.7854 4.0283 4.0283 4.0999 4.0999 4.2526 4.2526 5.2065 5.2065 5.2880 5.2880 5.5604 5.5604 5.6603 5.6603 5.8805 5.8805 5.9632 5.9632 6.1122 6.1122 7.5152 7.5152 10.6898 10.6898 12.0713 12.0713 14.6673 14.6673 14.9318 14.9318 15.0969 15.0969 k = 0.0333 0.0577-0.0000 ( 4195 PWs) bands (ev): -12.6962 -12.6962 -10.6594 -10.6594 -10.6269 -10.6269 -10.5599 -10.5599 -10.0981 -10.0981 -10.0851 -10.0851 -2.3653 -2.3653 -1.3361 -1.3361 -0.4555 -0.4555 -0.3283 -0.3283 0.7426 0.7426 0.8373 0.8373 1.1444 1.1444 2.0622 2.0622 2.7660 2.7660 2.8804 2.8804 2.9863 2.9863 3.1973 3.1973 3.7473 3.7473 4.0275 4.0275 4.0981 4.0981 4.2359 4.2359 5.2062 5.2062 5.2857 5.2857 5.6003 5.6003 5.6698 5.6698 5.8986 5.8986 5.9581 5.9581 6.0999 6.0999 7.4550 7.4550 10.6905 10.6905 12.0412 12.0412 14.6947 14.6947 14.9951 14.9951 15.1143 15.1143 k = 0.0250 0.0433-0.0000 ( 4191 PWs) bands (ev): -12.7018 -12.7018 -10.6506 -10.6506 -10.6174 -10.6174 -10.5662 -10.5662 -10.0993 -10.0993 -10.0860 -10.0860 -2.3679 -2.3679 -1.3394 -1.3394 -0.4663 -0.4663 -0.3385 -0.3385 0.7425 0.7425 0.8371 0.8371 1.1457 1.1457 2.0866 2.0866 2.7596 2.7596 2.8705 2.8705 3.0229 3.0229 3.2233 3.2233 3.6961 3.6961 4.0353 4.0353 4.0996 4.0996 4.2212 4.2212 5.2047 5.2047 5.2839 5.2839 5.6348 5.6348 5.6781 5.6781 5.9149 5.9149 5.9543 5.9543 6.0874 6.0874 7.4058 7.4058 10.6910 10.6910 12.0174 12.0174 14.7152 14.7152 15.0520 15.0520 15.1289 15.1289 k = 0.0167 0.0289-0.0000 ( 4199 PWs) bands (ev): -12.7058 -12.7058 -10.6440 -10.6440 -10.6097 -10.6097 -10.5719 -10.5719 -10.1003 -10.1003 -10.0867 -10.0867 -2.3698 -2.3698 -1.3417 -1.3417 -0.4742 -0.4742 -0.3459 -0.3459 0.7425 0.7425 0.8370 0.8370 1.1465 1.1465 2.1059 2.1059 2.7511 2.7511 2.8590 2.8590 3.0569 3.0569 3.2524 3.2524 3.6440 3.6440 4.0433 4.0433 4.1042 4.1042 4.2089 4.2089 5.2030 5.2030 5.2824 5.2824 5.6606 5.6606 5.6853 5.6853 5.9276 5.9276 5.9527 5.9527 6.0758 6.0758 7.3693 7.3693 10.6914 10.6914 12.0003 12.0003 14.7295 14.7295 15.0972 15.0972 15.1420 15.1420 k = 0.0083 0.0144-0.0000 ( 4207 PWs) bands (ev): -12.7082 -12.7082 -10.6398 -10.6398 -10.6043 -10.6043 -10.5764 -10.5764 -10.1009 -10.1009 -10.0872 -10.0872 -2.3709 -2.3709 -1.3431 -1.3431 -0.4789 -0.4789 -0.3503 -0.3503 0.7424 0.7424 0.8369 0.8369 1.1469 1.1469 2.1184 2.1184 2.7440 2.7440 2.8519 2.8519 3.0784 3.0784 3.2790 3.2790 3.6026 3.6026 4.0480 4.0480 4.1096 4.1096 4.2000 4.2000 5.2017 5.2017 5.2815 5.2815 5.6749 5.6749 5.6921 5.6921 5.9345 5.9345 5.9539 5.9539 6.0670 6.0670 7.3467 7.3467 10.6915 10.6915 11.9899 11.9899 14.7379 14.7379 15.1228 15.1228 15.1559 15.1559 k = 0.0000 0.0000 0.0000 ( 4195 PWs) bands (ev): -12.7090 -12.7090 -10.6383 -10.6383 -10.6022 -10.6022 -10.5782 -10.5782 -10.1011 -10.1011 -10.0873 -10.0873 -2.3713 -2.3713 -1.3436 -1.3436 -0.4805 -0.4805 -0.3517 -0.3517 0.7425 0.7425 0.8370 0.8370 1.1472 1.1472 2.1227 2.1227 2.7412 2.7412 2.8497 2.8497 3.0855 3.0855 3.2907 3.2907 3.5861 3.5861 4.0495 4.0495 4.1121 4.1121 4.1967 4.1967 5.2013 5.2013 5.2812 5.2812 5.6788 5.6788 5.6955 5.6955 5.9362 5.9362 5.9554 5.9554 6.0637 6.0637 7.3391 7.3391 10.6916 10.6916 11.9864 11.9864 14.7407 14.7407 15.1295 15.1295 15.1635 15.1635 k = 0.0000 0.0000 0.0000 ( 4195 PWs) bands (ev): -12.7090 -12.7090 -10.6383 -10.6383 -10.6022 -10.6022 -10.5782 -10.5782 -10.1011 -10.1011 -10.0873 -10.0873 -2.3713 -2.3713 -1.3436 -1.3436 -0.4805 -0.4805 -0.3517 -0.3517 0.7425 0.7425 0.8370 0.8370 1.1472 1.1472 2.1227 2.1227 2.7412 2.7412 2.8497 2.8497 3.0855 3.0855 3.2907 3.2907 3.5861 3.5861 4.0495 4.0495 4.1121 4.1121 4.1967 4.1967 5.2013 5.2013 5.2812 5.2812 5.6788 5.6788 5.6955 5.6955 5.9362 5.9362 5.9554 5.9554 6.0637 6.0637 7.3391 7.3391 10.6916 10.6916 11.9864 11.9864 14.7407 14.7407 15.1295 15.1295 15.1635 15.1635 k = 0.0000 0.0000 0.0165 ( 4207 PWs) bands (ev): -12.7086 -12.7086 -10.6382 -10.6382 -10.6020 -10.6020 -10.5789 -10.5789 -10.1012 -10.1012 -10.0875 -10.0875 -2.3710 -2.3710 -1.3421 -1.3421 -0.4796 -0.4796 -0.3508 -0.3508 0.7420 0.7420 0.8371 0.8371 1.1465 1.1465 2.1218 2.1218 2.7404 2.7404 2.8480 2.8480 3.0776 3.0776 3.2825 3.2825 3.5838 3.5838 4.0576 4.0576 4.1215 4.1215 4.1971 4.1971 5.2017 5.2017 5.2813 5.2813 5.6793 5.6793 5.6959 5.6959 5.9368 5.9368 5.9560 5.9560 6.0589 6.0589 7.3457 7.3457 10.6924 10.6924 11.9858 11.9858 14.7385 14.7385 15.1276 15.1276 15.1642 15.1642 k = 0.0000 0.0000 0.0330 ( 4207 PWs) bands (ev): -12.7075 -12.7075 -10.6377 -10.6377 -10.6015 -10.6015 -10.5809 -10.5809 -10.1017 -10.1017 -10.0879 -10.0879 -2.3702 -2.3702 -1.3376 -1.3376 -0.4767 -0.4767 -0.3481 -0.3481 0.7408 0.7408 0.8376 0.8376 1.1448 1.1448 2.1190 2.1190 2.7373 2.7373 2.8426 2.8426 3.0554 3.0554 3.2594 3.2594 3.5769 3.5769 4.0811 4.0811 4.1483 4.1483 4.1986 4.1986 5.2031 5.2031 5.2819 5.2819 5.6808 5.6808 5.6971 5.6971 5.9386 5.9386 5.9578 5.9578 6.0448 6.0448 7.3653 7.3653 10.6950 10.6950 11.9837 11.9837 14.7321 14.7321 15.1219 15.1219 15.1660 15.1660 k = 0.0000 0.0000 0.0496 ( 4213 PWs) bands (ev): -12.7056 -12.7056 -10.6369 -10.6369 -10.6007 -10.6007 -10.5843 -10.5843 -10.1025 -10.1025 -10.0887 -10.0887 -2.3688 -2.3688 -1.3301 -1.3301 -0.4720 -0.4720 -0.3435 -0.3435 0.7389 0.7389 0.8384 0.8384 1.1419 1.1419 2.1145 2.1145 2.7311 2.7311 2.8327 2.8327 3.0226 3.0226 3.2254 3.2254 3.5651 3.5651 4.1166 4.1166 4.1894 4.1894 4.2020 4.2020 5.2056 5.2056 5.2829 5.2829 5.6832 5.6832 5.6991 5.6991 5.9415 5.9415 5.9609 5.9609 6.0223 6.0223 7.3968 7.3968 10.6991 10.6991 11.9804 11.9804 14.7213 14.7213 15.1124 15.1124 15.1691 15.1691 k = 0.0000 0.0000 0.0661 ( 4213 PWs) bands (ev): -12.7029 -12.7029 -10.6358 -10.6358 -10.5996 -10.5996 -10.5891 -10.5891 -10.1035 -10.1035 -10.0898 -10.0898 -2.3669 -2.3669 -1.3197 -1.3197 -0.4654 -0.4654 -0.3372 -0.3372 0.7361 0.7361 0.8395 0.8395 1.1380 1.1380 2.1081 2.1081 2.7193 2.7193 2.8169 2.8169 2.9845 2.9845 3.1856 3.1856 3.5481 3.5481 4.1571 4.1571 4.2116 4.2116 4.2407 4.2407 5.2091 5.2091 5.2845 5.2845 5.6866 5.6866 5.7019 5.7019 5.9455 5.9455 5.9652 5.9652 5.9928 5.9928 7.4390 7.4390 10.7049 10.7049 11.9756 11.9756 14.7064 14.7064 15.0993 15.0993 15.1733 15.1733 k = 0.0000 0.0000 0.0826 ( 4201 PWs) bands (ev): -12.6995 -12.6995 -10.6344 -10.6344 -10.5981 -10.5981 -10.5952 -10.5952 -10.1048 -10.1048 -10.0912 -10.0912 -2.3644 -2.3644 -1.3064 -1.3064 -0.4569 -0.4569 -0.3289 -0.3289 0.7327 0.7327 0.8409 0.8409 1.1331 1.1331 2.0999 2.0999 2.6987 2.6987 2.7933 2.7933 2.9475 2.9475 3.1452 3.1452 3.5260 3.5260 4.1836 4.1836 4.2432 4.2432 4.2989 4.2989 5.2141 5.2141 5.2868 5.2868 5.6910 5.6910 5.7055 5.7055 5.9488 5.9488 5.9596 5.9596 5.9707 5.9707 7.4902 7.4902 10.7122 10.7122 11.9695 11.9695 14.6876 14.6876 15.0826 15.0826 15.1787 15.1787 k = 0.0000 0.0000 0.0991 ( 4201 PWs) bands (ev): -12.6954 -12.6954 -10.6327 -10.6327 -10.6025 -10.6025 -10.5964 -10.5964 -10.1065 -10.1065 -10.0929 -10.0929 -2.3615 -2.3615 -1.2902 -1.2902 -0.4465 -0.4465 -0.3190 -0.3190 0.7286 0.7286 0.8425 0.8425 1.1273 1.1273 2.0901 2.0901 2.6654 2.6654 2.7597 2.7597 2.9176 2.9176 3.1088 3.1088 3.4988 3.4988 4.1929 4.1929 4.2974 4.2974 4.3611 4.3611 5.2206 5.2206 5.2902 5.2902 5.6961 5.6961 5.7099 5.7099 5.9166 5.9166 5.9585 5.9585 5.9774 5.9774 7.5491 7.5491 10.7210 10.7210 11.9620 11.9620 14.6648 14.6648 15.0624 15.0624 15.1851 15.1851 k = 0.0000 0.0000 0.1157 ( 4190 PWs) bands (ev): -12.6906 -12.6906 -10.6308 -10.6308 -10.6110 -10.6110 -10.5943 -10.5943 -10.1084 -10.1084 -10.0949 -10.0949 -2.3580 -2.3580 -1.2714 -1.2714 -0.4342 -0.4342 -0.3072 -0.3072 0.7240 0.7240 0.8443 0.8443 1.1208 1.1208 2.0785 2.0785 2.6183 2.6183 2.7152 2.7152 2.8981 2.8981 3.0791 3.0791 3.4670 3.4670 4.1978 4.1978 4.3590 4.3590 4.4248 4.4248 5.2290 5.2290 5.2948 5.2948 5.7021 5.7021 5.7151 5.7151 5.8740 5.8740 5.9661 5.9661 5.9853 5.9853 7.6141 7.6141 10.7311 10.7311 11.9531 11.9531 14.6384 14.6384 15.0390 15.0390 15.1925 15.1925 k = 0.0000 0.0000 0.1322 ( 4190 PWs) bands (ev): -12.6852 -12.6852 -10.6285 -10.6285 -10.6206 -10.6206 -10.5920 -10.5920 -10.1105 -10.1105 -10.0971 -10.0971 -2.3541 -2.3541 -1.2499 -1.2499 -0.4201 -0.4201 -0.2937 -0.2937 0.7187 0.7187 0.8461 0.8461 1.1137 1.1137 2.0652 2.0652 2.5596 2.5596 2.6604 2.6604 2.8879 2.8879 3.0571 3.0571 3.4307 3.4307 4.2019 4.2019 4.4228 4.4228 4.4883 4.4883 5.2396 5.2396 5.3010 5.3010 5.7089 5.7089 5.7211 5.7211 5.8290 5.8290 5.9749 5.9749 5.9944 5.9944 7.6841 7.6841 10.7426 10.7426 11.9428 11.9428 14.6086 14.6086 15.0125 15.0125 15.2007 15.2007 k = 0.0000 0.0000 0.1487 ( 4190 PWs) bands (ev): -12.6792 -12.6792 -10.6313 -10.6313 -10.6260 -10.6260 -10.5894 -10.5894 -10.1129 -10.1129 -10.0996 -10.0996 -2.3498 -2.3498 -1.2258 -1.2258 -0.4042 -0.4042 -0.2784 -0.2784 0.7130 0.7130 0.8479 0.8479 1.1061 1.1061 2.0501 2.0501 2.4931 2.4931 2.5971 2.5971 2.8843 2.8843 3.0417 3.0417 3.3904 3.3904 4.2059 4.2059 4.4864 4.4864 4.5500 4.5500 5.2529 5.2529 5.3091 5.3091 5.7167 5.7167 5.7281 5.7281 5.7826 5.7826 5.9850 5.9850 6.0045 6.0045 7.7581 7.7581 10.7551 10.7551 11.9310 11.9310 14.5756 14.5756 14.9832 14.9832 15.2095 15.2095 k = 0.0000 0.0000 0.1652 ( 4190 PWs) bands (ev): -12.6725 -12.6725 -10.6430 -10.6430 -10.6233 -10.6233 -10.5865 -10.5865 -10.1156 -10.1156 -10.1024 -10.1024 -2.3451 -2.3451 -1.1994 -1.1994 -0.3864 -0.3864 -0.2615 -0.2615 0.7069 0.7069 0.8496 0.8496 1.0983 1.0983 2.0332 2.0332 2.4219 2.4219 2.5275 2.5275 2.8851 2.8851 3.0315 3.0315 3.3465 3.3465 4.2100 4.2100 4.5481 4.5481 4.6084 4.6084 5.2692 5.2692 5.3195 5.3195 5.7254 5.7254 5.7355 5.7355 5.7361 5.7361 5.9961 5.9961 6.0157 6.0157 7.8351 7.8351 10.7688 10.7688 11.9178 11.9178 14.5397 14.5397 14.9512 14.9512 15.2187 15.2187 k = 0.0000 0.0000 0.1818 ( 4190 PWs) bands (ev): -12.6653 -12.6653 -10.6555 -10.6555 -10.6203 -10.6203 -10.5834 -10.5834 -10.1184 -10.1184 -10.1054 -10.1054 -2.3400 -2.3400 -1.1707 -1.1707 -0.3668 -0.3668 -0.2428 -0.2428 0.7005 0.7005 0.8510 0.8510 1.0904 1.0904 2.0141 2.0141 2.3486 2.3486 2.4535 2.4535 2.8885 2.8885 3.0250 3.0250 3.2994 3.2994 4.2145 4.2145 4.6065 4.6065 4.6625 4.6625 5.2888 5.2888 5.3326 5.3326 5.6884 5.6884 5.7352 5.7352 5.7454 5.7454 6.0082 6.0082 6.0279 6.0279 7.9144 7.9144 10.7833 10.7833 11.9031 11.9031 14.5012 14.5012 14.9169 14.9169 15.2281 15.2281 k = 0.0000 0.0000 0.1983 ( 4178 PWs) bands (ev): -12.6577 -12.6577 -10.6688 -10.6688 -10.6171 -10.6171 -10.5801 -10.5801 -10.1215 -10.1215 -10.1086 -10.1086 -2.3347 -2.3347 -1.1400 -1.1400 -0.3453 -0.3453 -0.2225 -0.2225 0.6940 0.6940 0.8522 0.8522 1.0826 1.0826 1.9924 1.9924 2.2752 2.2752 2.3767 2.3767 2.8935 2.8935 3.0212 3.0212 3.2498 3.2498 4.2193 4.2193 4.6606 4.6606 4.7112 4.7112 5.3118 5.3118 5.3484 5.3484 5.6414 5.6414 5.7465 5.7465 5.7561 5.7561 6.0213 6.0213 6.0409 6.0409 7.9953 7.9953 10.7986 10.7986 11.8871 11.8871 14.4604 14.4604 14.8805 14.8805 15.2371 15.2371 k = 0.0000 0.0000 0.2148 ( 4178 PWs) bands (ev): -12.6495 -12.6495 -10.6828 -10.6828 -10.6138 -10.6138 -10.5766 -10.5766 -10.1247 -10.1247 -10.1120 -10.1120 -2.3290 -2.3290 -1.1074 -1.1074 -0.3220 -0.3220 -0.2006 -0.2006 0.6873 0.6873 0.8528 0.8528 1.0751 1.0751 1.9670 1.9670 2.2037 2.2037 2.2981 2.2981 2.8992 2.8992 3.0193 3.0193 3.1982 3.1982 4.2245 4.2245 4.7094 4.7094 4.7541 4.7541 5.3379 5.3379 5.3670 5.3670 5.5951 5.5951 5.7595 5.7595 5.7687 5.7687 6.0351 6.0351 6.0548 6.0548 8.0772 8.0772 10.8144 10.8144 11.8696 11.8696 14.4177 14.4177 14.8424 14.8424 15.2453 15.2453 k = 0.0000 0.0000 0.2313 ( 4184 PWs) bands (ev): -12.6410 -12.6410 -10.6974 -10.6974 -10.6102 -10.6102 -10.5729 -10.5729 -10.1281 -10.1281 -10.1155 -10.1155 -2.3231 -2.3231 -1.0730 -1.0730 -0.2971 -0.2971 -0.1772 -0.1772 0.6806 0.6806 0.8528 0.8528 1.0681 1.0681 1.9360 1.9360 2.1368 2.1368 2.2184 2.2184 2.9045 2.9045 3.0187 3.0187 3.1457 3.1457 4.2301 4.2301 4.7525 4.7525 4.7908 4.7908 5.3666 5.3666 5.3880 5.3880 5.5497 5.5497 5.7745 5.7745 5.7834 5.7834 6.0497 6.0497 6.0695 6.0695 8.1595 8.1595 10.8307 10.8307 11.8508 11.8508 14.3735 14.3735 14.8028 14.8028 15.2524 15.2524 k = 0.0000 0.0000 0.2479 ( 4184 PWs) bands (ev): -12.6322 -12.6322 -10.7124 -10.7124 -10.6066 -10.6066 -10.5691 -10.5691 -10.1317 -10.1317 -10.1192 -10.1192 -2.3171 -2.3171 -1.0372 -1.0372 -0.2703 -0.2703 -0.1523 -0.1523 0.6742 0.6742 0.8521 0.8521 1.0617 1.0617 1.8967 1.8967 2.0780 2.0780 2.1383 2.1383 2.9081 2.9081 3.0191 3.0191 3.0939 3.0939 4.2360 4.2360 4.7896 4.7896 4.8217 4.8217 5.3967 5.3967 5.4105 5.4105 5.5057 5.5057 5.7921 5.7921 5.8008 5.8008 6.0649 6.0649 6.0847 6.0847 8.2418 8.2418 10.8474 10.8474 11.8307 11.8307 14.3281 14.3281 14.7621 14.7621 15.2577 15.2577 k = 0.0000 0.0000 0.2644 ( 4190 PWs) bands (ev): -12.6232 -12.6232 -10.7277 -10.7277 -10.6028 -10.6028 -10.5652 -10.5652 -10.1353 -10.1353 -10.1231 -10.1231 -2.3109 -2.3109 -1.0002 -1.0002 -0.2419 -0.2419 -0.1261 -0.1261 0.6680 0.6680 0.8506 0.8506 1.0560 1.0560 1.8470 1.8470 2.0298 2.0298 2.0582 2.0582 2.9065 2.9065 3.0201 3.0201 3.0463 3.0463 4.2424 4.2424 4.8208 4.8208 4.8472 4.8472 5.4271 5.4271 5.4310 5.4310 5.4657 5.4657 5.8126 5.8126 5.8212 5.8212 6.0806 6.0806 6.1005 6.1005 8.3237 8.3237 10.8641 10.8641 11.8094 11.8094 14.2819 14.2819 14.7206 14.7206 15.2611 15.2611 k = 0.0000 0.0000 0.2809 ( 4184 PWs) bands (ev): -12.6139 -12.6139 -10.7432 -10.7432 -10.5990 -10.5990 -10.5611 -10.5611 -10.1390 -10.1390 -10.1270 -10.1270 -2.3047 -2.3047 -0.9622 -0.9622 -0.2118 -0.2118 -0.0985 -0.0985 0.6624 0.6624 0.8484 0.8484 1.0510 1.0510 1.7877 1.7877 1.9784 1.9784 1.9920 1.9920 2.8928 2.8928 3.0103 3.0103 3.0217 3.0217 4.2491 4.2491 4.8466 4.8466 4.8680 4.8680 5.4148 5.4148 5.4563 5.4563 5.4635 5.4635 5.8364 5.8364 5.8448 5.8448 6.0967 6.0967 6.1168 6.1168 8.4046 8.4046 10.8809 10.8809 11.7870 11.7870 14.2353 14.2353 14.6788 14.6788 15.2624 15.2624 k = 0.0000 0.0000 0.2974 ( 4190 PWs) bands (ev): -12.6046 -12.6046 -10.7587 -10.7587 -10.5951 -10.5951 -10.5570 -10.5570 -10.1427 -10.1427 -10.1309 -10.1309 -2.2985 -2.2985 -0.9235 -0.9235 -0.1800 -0.1800 -0.0698 -0.0698 0.6573 0.6573 0.8452 0.8452 1.0467 1.0467 1.7221 1.7221 1.8992 1.8992 1.9616 1.9616 2.8600 2.8600 2.9930 2.9930 3.0236 3.0236 4.2561 4.2561 4.8676 4.8676 4.8847 4.8847 5.3758 5.3758 5.4833 5.4833 5.4843 5.4843 5.8634 5.8634 5.8716 5.8716 6.1131 6.1131 6.1335 6.1335 8.4841 8.4841 10.8975 10.8975 11.7636 11.7636 14.1887 14.1887 14.6370 14.6370 15.2617 15.2617 k = 0.0000 0.0000 0.3140 ( 4190 PWs) bands (ev): -12.5953 -12.5953 -10.7741 -10.7741 -10.5912 -10.5912 -10.5529 -10.5529 -10.1465 -10.1465 -10.1349 -10.1349 -2.2923 -2.2923 -0.8845 -0.8845 -0.1467 -0.1467 -0.0402 -0.0402 0.6531 0.6531 0.8415 0.8415 1.0430 1.0430 1.6535 1.6535 1.8208 1.8208 1.9361 1.9361 2.8133 2.8133 2.9897 2.9897 3.0258 3.0258 4.2634 4.2634 4.8845 4.8845 4.8983 4.8983 5.3368 5.3368 5.5044 5.5044 5.5072 5.5072 5.8935 5.8935 5.9014 5.9014 6.1298 6.1298 6.1505 6.1505 8.5618 8.5618 10.9138 10.9138 11.7394 11.7394 14.1426 14.1426 14.5955 14.5955 15.2593 15.2593 k = 0.0000 0.0000 0.3305 ( 4196 PWs) bands (ev): -12.5860 -12.5860 -10.7894 -10.7894 -10.5873 -10.5873 -10.5488 -10.5488 -10.1503 -10.1503 -10.1389 -10.1389 -2.2862 -2.2862 -0.8454 -0.8454 -0.1119 -0.1119 -0.0097 -0.0097 0.6499 0.6499 0.8370 0.8370 1.0397 1.0397 1.5839 1.5839 1.7434 1.7434 1.9137 1.9137 2.7609 2.7609 2.9926 2.9926 3.0281 3.0281 4.2711 4.2711 4.8979 4.8979 4.9091 4.9091 5.2992 5.2992 5.5223 5.5223 5.5279 5.5279 5.9258 5.9258 5.9333 5.9333 6.1467 6.1467 6.1679 6.1679 8.6373 8.6373 10.9297 10.9297 11.7146 11.7146 14.0973 14.0973 14.5548 14.5548 15.2555 15.2555 k = 0.0000 0.0000 0.3470 ( 4184 PWs) bands (ev): -12.5769 -12.5769 -10.8042 -10.8042 -10.5835 -10.5835 -10.5448 -10.5448 -10.1539 -10.1539 -10.1428 -10.1428 -2.2803 -2.2803 -0.8066 -0.8066 -0.0757 -0.0757 0.0213 0.0213 0.6481 0.6481 0.8322 0.8322 1.0363 1.0363 1.5150 1.5150 1.6673 1.6673 1.8936 1.8936 2.7070 2.7070 2.9979 2.9979 3.0304 3.0304 4.2789 4.2789 4.9086 4.9086 4.9179 4.9179 5.2632 5.2632 5.5376 5.5376 5.5452 5.5452 5.9595 5.9595 5.9664 5.9664 6.1639 6.1639 6.1856 6.1856 8.7101 8.7101 10.9450 10.9450 11.6895 11.6895 14.0533 14.0533 14.5152 14.5152 15.2507 15.2507 k = 0.0000 0.0000 0.3635 ( 4190 PWs) bands (ev): -12.5681 -12.5681 -10.8185 -10.8185 -10.5798 -10.5798 -10.5408 -10.5408 -10.1575 -10.1575 -10.1467 -10.1467 -2.2746 -2.2746 -0.7686 -0.7686 -0.0382 -0.0382 0.0526 0.0526 0.6478 0.6478 0.8269 0.8269 1.0324 1.0324 1.4478 1.4478 1.5925 1.5925 1.8751 1.8751 2.6535 2.6535 3.0042 3.0042 3.0327 3.0327 4.2869 4.2869 4.9170 4.9170 4.9250 4.9250 5.2290 5.2290 5.5505 5.5505 5.5597 5.5597 5.9935 5.9935 5.9995 5.9995 6.1814 6.1814 6.2036 6.2036 8.7798 8.7798 10.9596 10.9596 11.6643 11.6643 14.0109 14.0109 14.4771 14.4771 15.2452 15.2452 k = 0.0000 0.0000 0.3801 ( 4196 PWs) bands (ev): -12.5596 -12.5596 -10.8322 -10.8322 -10.5762 -10.5762 -10.5370 -10.5370 -10.1610 -10.1610 -10.1504 -10.1504 -2.2692 -2.2692 -0.7317 -0.7317 0.0003 0.0003 0.0837 0.0837 0.6495 0.6495 0.8215 0.8215 1.0274 1.0274 1.3835 1.3835 1.5192 1.5192 1.8582 1.8582 2.6015 2.6015 3.0106 3.0106 3.0350 3.0350 4.2949 4.2949 4.9237 4.9237 4.9306 4.9306 5.1968 5.1968 5.5612 5.5612 5.5715 5.5715 6.0264 6.0264 6.0315 6.0315 6.1992 6.1992 6.2219 6.2219 8.8459 8.8459 10.9733 10.9733 11.6393 11.6393 13.9706 13.9706 14.4409 14.4409 15.2393 15.2393 k = 0.0000 0.0000 0.3966 ( 4208 PWs) bands (ev): -12.5515 -12.5515 -10.8451 -10.8451 -10.5728 -10.5728 -10.5334 -10.5334 -10.1643 -10.1643 -10.1539 -10.1539 -2.2641 -2.2641 -0.6963 -0.6963 0.0398 0.0398 0.1142 0.1142 0.6536 0.6536 0.8161 0.8161 1.0200 1.0200 1.3236 1.3236 1.4477 1.4477 1.8428 1.8428 2.5519 2.5519 3.0170 3.0170 3.0371 3.0371 4.3029 4.3029 4.9289 4.9289 4.9352 4.9352 5.1668 5.1668 5.5700 5.5700 5.5812 5.5812 6.0573 6.0573 6.0613 6.0613 6.2174 6.2174 6.2405 6.2405 8.9079 8.9079 10.9861 10.9861 11.6148 11.6148 13.9328 13.9328 14.4068 14.4068 15.2333 15.2333 k = 0.0000 0.0000 0.4131 ( 4190 PWs) bands (ev): -12.5440 -12.5440 -10.8570 -10.8570 -10.5696 -10.5696 -10.5300 -10.5300 -10.1674 -10.1674 -10.1572 -10.1572 -2.2594 -2.2594 -0.6630 -0.6630 0.0800 0.0800 0.1436 0.1436 0.6606 0.6606 0.8110 0.8110 1.0089 1.0089 1.2699 1.2699 1.3781 1.3781 1.8289 1.8289 2.5054 2.5054 3.0230 3.0230 3.0392 3.0392 4.3107 4.3107 4.9329 4.9329 4.9389 4.9389 5.1391 5.1391 5.5771 5.5771 5.5891 5.5891 6.0852 6.0852 6.0883 6.0883 6.2359 6.2359 6.2593 6.2593 8.9653 8.9653 10.9978 10.9978 11.5913 11.5913 13.8979 13.8979 14.3754 14.3754 15.2274 15.2274 k = 0.0000 0.0000 0.4296 ( 4184 PWs) bands (ev): -12.5371 -12.5371 -10.8679 -10.8679 -10.5667 -10.5667 -10.5269 -10.5269 -10.1702 -10.1702 -10.1603 -10.1603 -2.2551 -2.2551 -0.6321 -0.6321 0.1204 0.1204 0.1712 0.1712 0.6708 0.6708 0.8060 0.8060 0.9923 0.9923 1.2245 1.2245 1.3106 1.3106 1.8164 1.8164 2.4627 2.4627 3.0285 3.0285 3.0410 3.0410 4.3182 4.3182 4.9361 4.9361 4.9419 4.9419 5.1139 5.1139 5.5829 5.5829 5.5955 5.5955 6.1094 6.1094 6.1118 6.1118 6.2546 6.2546 6.2778 6.2778 9.0177 9.0177 11.0084 11.0084 11.5692 11.5692 13.8661 13.8661 14.3468 14.3468 15.2218 15.2218 k = 0.0000 0.0000 0.4462 ( 4202 PWs) bands (ev): -12.5310 -12.5310 -10.8776 -10.8776 -10.5641 -10.5641 -10.5241 -10.5241 -10.1727 -10.1727 -10.1630 -10.1630 -2.2513 -2.2513 -0.6041 -0.6041 0.1604 0.1604 0.1964 0.1964 0.6847 0.6847 0.8013 0.8013 0.9687 0.9687 1.1893 1.1893 1.2455 1.2455 1.8054 1.8054 2.4242 2.4242 3.0334 3.0334 3.0426 3.0426 4.3252 4.3252 4.9386 4.9386 4.9442 4.9442 5.0915 5.0915 5.5875 5.5875 5.6006 5.6006 6.1297 6.1297 6.1317 6.1317 6.2728 6.2728 6.2957 6.2957 9.0643 9.0643 11.0177 11.0177 11.5488 11.5488 13.8378 13.8378 14.3213 14.3213 15.2167 15.2167 k = 0.0000 0.0000 0.4627 ( 4202 PWs) bands (ev): -12.5256 -12.5256 -10.8860 -10.8860 -10.5618 -10.5618 -10.5216 -10.5216 -10.1749 -10.1749 -10.1654 -10.1654 -2.2480 -2.2480 -0.5795 -0.5795 0.1994 0.1994 0.2186 0.2186 0.7027 0.7027 0.7970 0.7970 0.9389 0.9389 1.1647 1.1647 1.1833 1.1833 1.7961 1.7961 2.3906 2.3906 3.0376 3.0376 3.0440 3.0440 4.3315 4.3315 4.9405 4.9405 4.9460 4.9460 5.0720 5.0720 5.5912 5.5912 5.6047 5.6047 6.1462 6.1462 6.1480 6.1480 6.2900 6.2900 6.3123 6.3123 9.1049 9.1049 11.0257 11.0257 11.5306 11.5306 13.8133 13.8133 14.2993 14.2993 15.2121 15.2121 k = 0.0000 0.0000 0.4792 ( 4220 PWs) bands (ev): -12.5211 -12.5211 -10.8930 -10.8930 -10.5599 -10.5599 -10.5195 -10.5195 -10.1768 -10.1768 -10.1675 -10.1675 -2.2453 -2.2453 -0.5588 -0.5588 0.2359 0.2359 0.2373 0.2373 0.7246 0.7246 0.7932 0.7932 0.9058 0.9058 1.1245 1.1245 1.1487 1.1487 1.7883 1.7883 2.3624 2.3624 3.0412 3.0412 3.0452 3.0452 4.3370 4.3370 4.9419 4.9419 4.9475 4.9475 5.0556 5.0556 5.5940 5.5940 5.6078 5.6078 6.1591 6.1591 6.1609 6.1609 6.3053 6.3053 6.3268 6.3268 9.1389 9.1389 11.0323 11.0323 11.5150 11.5150 13.7929 13.7929 14.2810 14.2810 15.2083 15.2083 k = 0.0000 0.0000 0.4957 ( 4220 PWs) bands (ev): -12.5176 -12.5176 -10.8986 -10.8986 -10.5584 -10.5584 -10.5179 -10.5179 -10.1783 -10.1783 -10.1691 -10.1691 -2.2431 -2.2431 -0.5422 -0.5422 0.2521 0.2521 0.2686 0.2686 0.7501 0.7501 0.7896 0.7896 0.8738 0.8738 1.0701 1.0701 1.1388 1.1388 1.7822 1.7822 2.3399 2.3399 3.0440 3.0440 3.0461 3.0461 4.3415 4.3415 4.9430 4.9430 4.9485 4.9485 5.0426 5.0426 5.5962 5.5962 5.6102 5.6102 6.1687 6.1687 6.1706 6.1706 6.3180 6.3180 6.3389 6.3389 9.1658 9.1658 11.0376 11.0376 11.5025 11.5025 13.7769 13.7769 14.2665 14.2665 15.2052 15.2052 k = 0.0000 0.0000 0.5123 ( 4208 PWs) bands (ev): -12.5150 -12.5150 -10.9026 -10.9026 -10.5573 -10.5573 -10.5167 -10.5167 -10.1794 -10.1794 -10.1702 -10.1702 -2.2416 -2.2416 -0.5301 -0.5301 0.2628 0.2628 0.2952 0.2952 0.7772 0.7772 0.7862 0.7862 0.8474 0.8474 1.0223 1.0223 1.1331 1.1331 1.7779 1.7779 2.3236 2.3236 3.0460 3.0460 3.0468 3.0468 4.3449 4.3449 4.9437 4.9437 4.9492 4.9492 5.0332 5.0332 5.5976 5.5976 5.6118 5.6118 6.1754 6.1754 6.1775 6.1775 6.3275 6.3275 6.3478 6.3478 9.1854 9.1854 11.0414 11.0414 11.4932 11.4932 13.7652 13.7652 14.2561 14.2561 15.2029 15.2029 k = 0.0000 0.0000 0.5288 ( 4220 PWs) bands (ev): -12.5134 -12.5134 -10.9050 -10.9050 -10.5566 -10.5566 -10.5160 -10.5160 -10.1800 -10.1800 -10.1709 -10.1709 -2.2406 -2.2406 -0.5227 -0.5227 0.2691 0.2691 0.3127 0.3127 0.7831 0.7831 0.8011 0.8011 0.8305 0.8305 0.9859 0.9859 1.1300 1.1300 1.7752 1.7752 2.3137 2.3137 3.0472 3.0472 3.0472 3.0472 4.3469 4.3469 4.9441 4.9441 4.9497 4.9497 5.0274 5.0274 5.5985 5.5985 5.6127 5.6127 6.1793 6.1793 6.1815 6.1815 6.3334 6.3334 6.3534 6.3534 9.1972 9.1972 11.0436 11.0436 11.4876 11.4876 13.7582 13.7582 14.2498 14.2498 15.2016 15.2016 k = 0.0000 0.0000 0.5453 ( 4232 PWs) bands (ev): -12.5129 -12.5129 -10.9058 -10.9058 -10.5564 -10.5564 -10.5157 -10.5157 -10.1802 -10.1802 -10.1712 -10.1712 -2.2403 -2.2403 -0.5202 -0.5202 0.2713 0.2713 0.3189 0.3189 0.7817 0.7817 0.8117 0.8117 0.8248 0.8248 0.9711 0.9711 1.1289 1.1289 1.7743 1.7743 2.3104 2.3104 3.0474 3.0474 3.0476 3.0476 4.3476 4.3476 4.9442 4.9442 4.9498 4.9498 5.0255 5.0255 5.5987 5.5987 5.6130 5.6130 6.1806 6.1806 6.1828 6.1828 6.3353 6.3353 6.3552 6.3552 9.2012 9.2012 11.0444 11.0444 11.4857 11.4857 13.7558 13.7558 14.2476 14.2476 15.2011 15.2011 k = 0.0000 0.0000 0.5453 ( 4232 PWs) bands (ev): -12.5129 -12.5129 -10.9058 -10.9058 -10.5564 -10.5564 -10.5157 -10.5157 -10.1802 -10.1802 -10.1712 -10.1712 -2.2403 -2.2403 -0.5202 -0.5202 0.2713 0.2713 0.3189 0.3189 0.7817 0.7817 0.8117 0.8117 0.8248 0.8248 0.9711 0.9711 1.1289 1.1289 1.7743 1.7743 2.3104 2.3104 3.0474 3.0474 3.0476 3.0476 4.3476 4.3476 4.9442 4.9442 4.9498 4.9498 5.0255 5.0255 5.5987 5.5987 5.6130 5.6130 6.1806 6.1806 6.1828 6.1828 6.3353 6.3353 6.3552 6.3552 9.2012 9.2012 11.0444 11.0444 11.4857 11.4857 13.7558 13.7558 14.2476 14.2476 15.2011 15.2011 k = 0.0143 0.0082 0.5453 ( 4224 PWs) bands (ev): -12.5122 -12.5122 -10.9053 -10.9053 -10.5576 -10.5576 -10.5171 -10.5171 -10.1797 -10.1797 -10.1707 -10.1707 -2.2399 -2.2399 -0.5245 -0.5245 0.2712 0.2712 0.3187 0.3187 0.7762 0.7762 0.8191 0.8191 0.8232 0.8232 0.9758 0.9758 1.1294 1.1294 1.7762 1.7762 2.3133 2.3133 3.0470 3.0470 3.0487 3.0487 4.3479 4.3479 4.9245 4.9245 4.9470 4.9470 5.0451 5.0451 5.5978 5.5978 5.6121 5.6121 6.1804 6.1804 6.1826 6.1826 6.3336 6.3336 6.3536 6.3536 9.2043 9.2043 11.0423 11.0423 11.4888 11.4888 13.7551 13.7551 14.2458 14.2458 15.1994 15.1994 k = 0.0286 0.0165 0.5453 ( 4224 PWs) bands (ev): -12.5101 -12.5101 -10.9038 -10.9038 -10.5614 -10.5614 -10.5211 -10.5211 -10.1781 -10.1781 -10.1694 -10.1694 -2.2386 -2.2386 -0.5372 -0.5372 0.2704 0.2704 0.3188 0.3188 0.7665 0.7665 0.8148 0.8148 0.8384 0.8384 0.9891 0.9891 1.1305 1.1305 1.7816 1.7816 2.3220 2.3220 3.0456 3.0456 3.0523 3.0523 4.3485 4.3485 4.8817 4.8817 4.9457 4.9457 5.0804 5.0804 5.5946 5.5946 5.6093 5.6093 6.1793 6.1793 6.1819 6.1819 6.3279 6.3279 6.3494 6.3494 9.2134 9.2134 11.0358 11.0358 11.4980 11.4980 13.7528 13.7528 14.2406 14.2406 15.1941 15.1941 k = 0.0429 0.0247 0.5453 ( 4216 PWs) bands (ev): -12.5065 -12.5065 -10.9012 -10.9012 -10.5677 -10.5677 -10.5276 -10.5276 -10.1756 -10.1756 -10.1673 -10.1673 -2.2366 -2.2366 -0.5575 -0.5575 0.2672 0.2672 0.3205 0.3205 0.7569 0.7569 0.8057 0.8057 0.8604 0.8604 1.0093 1.0093 1.1332 1.1332 1.7904 1.7904 2.3364 2.3364 3.0433 3.0433 3.0583 3.0583 4.3495 4.3495 4.8324 4.8324 4.9440 4.9440 5.1169 5.1169 5.5889 5.5889 5.6053 5.6053 6.1770 6.1770 6.1811 6.1811 6.3170 6.3170 6.3443 6.3443 9.2284 9.2284 11.0252 11.0252 11.5133 11.5133 13.7482 13.7482 14.2329 14.2329 15.1852 15.1852 k = 0.0571 0.0330 0.5453 ( 4210 PWs) bands (ev): -12.5016 -12.5016 -10.8977 -10.8977 -10.5767 -10.5767 -10.5361 -10.5361 -10.1724 -10.1724 -10.1644 -10.1644 -2.2337 -2.2337 -0.5846 -0.5846 0.2602 0.2602 0.3248 0.3248 0.7475 0.7475 0.7966 0.7966 0.8849 0.8849 1.0343 1.0343 1.1383 1.1383 1.8023 1.8023 2.3563 2.3563 3.0402 3.0402 3.0667 3.0667 4.3507 4.3507 4.7793 4.7793 4.9416 4.9416 5.1522 5.1522 5.5802 5.5802 5.6004 5.6004 6.1730 6.1730 6.1800 6.1800 6.3010 6.3010 6.3390 6.3390 9.2489 9.2489 11.0106 11.0106 11.5345 11.5345 13.7404 13.7404 14.2242 14.2242 15.1727 15.1727 k = 0.0714 0.0412 0.5453 ( 4204 PWs) bands (ev): -12.4953 -12.4953 -10.8931 -10.8931 -10.5884 -10.5884 -10.5461 -10.5461 -10.1688 -10.1688 -10.1608 -10.1608 -2.2300 -2.2300 -0.6173 -0.6173 0.2490 0.2490 0.3319 0.3319 0.7374 0.7374 0.7894 0.7894 0.9102 0.9102 1.0610 1.0610 1.1492 1.1492 1.8169 1.8169 2.3813 2.3813 3.0361 3.0361 3.0777 3.0777 4.3518 4.3518 4.7235 4.7235 4.9386 4.9386 5.1856 5.1856 5.5686 5.5686 5.5950 5.5950 6.1665 6.1665 6.1787 6.1787 6.2814 6.2814 6.3334 6.3334 9.2744 9.2744 10.9921 10.9921 11.5615 11.5615 13.7281 13.7281 14.2161 14.2161 15.1568 15.1568 k = 0.0857 0.0495 0.5453 ( 4196 PWs) bands (ev): -12.4876 -12.4876 -10.8876 -10.8876 -10.6029 -10.6029 -10.5574 -10.5574 -10.1650 -10.1650 -10.1566 -10.1566 -2.2255 -2.2255 -0.6544 -0.6544 0.2344 0.2344 0.3409 0.3409 0.7263 0.7263 0.7852 0.7852 0.9351 0.9351 1.0836 1.0836 1.1718 1.1718 1.8337 1.8337 2.4112 2.4112 3.0313 3.0313 3.0912 3.0912 4.3524 4.3524 4.6653 4.6653 4.9350 4.9350 5.2170 5.2170 5.5545 5.5545 5.5888 5.5888 6.1561 6.1561 6.1768 6.1768 6.2604 6.2604 6.3274 6.3274 9.3044 9.3044 10.9700 10.9700 11.5940 11.5940 13.7102 13.7102 14.2102 14.2102 15.1375 15.1375 k = 0.1000 0.0577 0.5453 ( 4196 PWs) bands (ev): -12.4785 -12.4785 -10.8812 -10.8812 -10.6201 -10.6201 -10.5694 -10.5694 -10.1612 -10.1612 -10.1519 -10.1519 -2.2203 -2.2203 -0.6951 -0.6951 0.2170 0.2170 0.3510 0.3510 0.7139 0.7139 0.7847 0.7847 0.9587 0.9587 1.0978 1.0978 1.2101 1.2101 1.8523 1.8523 2.4454 2.4454 3.0258 3.0258 3.1073 3.1073 4.3522 4.3522 4.6051 4.6051 4.9309 4.9309 5.2463 5.2463 5.5383 5.5383 5.5818 5.5818 6.1399 6.1399 6.1742 6.1742 6.2407 6.2407 6.3210 6.3210 9.3384 9.3384 10.9445 10.9445 11.6318 11.6318 13.6859 13.6859 14.2077 14.2077 15.1154 15.1154 k = 0.1143 0.0660 0.5453 ( 4190 PWs) bands (ev): -12.4681 -12.4681 -10.8738 -10.8738 -10.6399 -10.6399 -10.5819 -10.5819 -10.1576 -10.1576 -10.1469 -10.1469 -2.2143 -2.2143 -0.7384 -0.7384 0.1974 0.1974 0.3616 0.3616 0.7010 0.7010 0.7878 0.7878 0.9809 0.9809 1.1058 1.1058 1.2614 1.2614 1.8722 1.8722 2.4834 2.4834 3.0196 3.0196 3.1260 3.1260 4.3507 4.3507 4.5433 4.5433 4.9263 4.9263 5.2736 5.2736 5.5205 5.5205 5.5738 5.5738 6.1164 6.1164 6.1708 6.1708 6.2246 6.2246 6.3143 6.3143 9.3755 9.3755 10.9159 10.9159 11.6745 11.6745 13.6548 13.6548 14.2092 14.2092 15.0908 15.0908 k = 0.1286 0.0742 0.5453 ( 4182 PWs) bands (ev): -12.4563 -12.4563 -10.8655 -10.8655 -10.6620 -10.6620 -10.5948 -10.5948 -10.1544 -10.1544 -10.1417 -10.1417 -2.2076 -2.2076 -0.7835 -0.7835 0.1763 0.1763 0.3723 0.3723 0.6880 0.6880 0.7942 0.7942 1.0016 1.0016 1.1111 1.1111 1.3215 1.3215 1.8931 1.8931 2.5246 2.5246 3.0129 3.0129 3.1475 3.1475 4.3473 4.3473 4.4803 4.4803 4.9214 4.9214 5.2990 5.2990 5.5015 5.5015 5.5649 5.5649 6.0858 6.0858 6.1662 6.1662 6.2122 6.2122 6.3076 6.3076 9.4153 9.4153 10.8846 10.8846 11.7219 11.7219 13.6172 13.6172 14.2145 14.2145 15.0641 15.0641 k = 0.1429 0.0825 0.5453 ( 4190 PWs) bands (ev): -12.4432 -12.4432 -10.8565 -10.8565 -10.6863 -10.6863 -10.6079 -10.6079 -10.1515 -10.1515 -10.1364 -10.1364 -2.2002 -2.2002 -0.8299 -0.8299 0.1540 0.1540 0.3825 0.3825 0.6757 0.6757 0.8036 0.8036 1.0210 1.0210 1.1152 1.1152 1.3877 1.3877 1.9145 1.9145 2.5684 2.5684 3.0056 3.0056 3.1718 3.1718 4.3414 4.3414 4.4165 4.4165 4.9161 4.9161 5.3225 5.3225 5.4819 5.4819 5.5550 5.5550 6.0498 6.0498 6.1602 6.1602 6.2027 6.2027 6.3011 6.3011 9.4571 9.4571 10.8509 10.8509 11.7736 11.7736 13.5738 13.5738 14.2228 14.2228 15.0359 15.0359 k = 0.1571 0.0907 0.5453 ( 4186 PWs) bands (ev): -12.4288 -12.4288 -10.8466 -10.8466 -10.7125 -10.7125 -10.6212 -10.6212 -10.1493 -10.1493 -10.1312 -10.1312 -2.1922 -2.1922 -0.8770 -0.8770 0.1311 0.1311 0.3919 0.3919 0.6647 0.6647 0.8159 0.8159 1.0393 1.0393 1.1191 1.1191 1.4583 1.4583 1.9364 1.9364 2.6138 2.6138 2.9980 2.9980 3.1990 3.1990 4.3314 4.3314 4.3535 4.3535 4.9106 4.9106 5.3443 5.3443 5.4623 5.4623 5.5442 5.5442 6.0102 6.0102 6.1526 6.1526 6.1946 6.1946 6.2951 6.2951 9.5002 9.5002 10.8151 10.8151 11.8291 11.8291 13.5254 13.5254 14.2332 14.2332 15.0063 15.0063 k = 0.1714 0.0990 0.5453 ( 4190 PWs) bands (ev): -12.4131 -12.4131 -10.8362 -10.8362 -10.7403 -10.7403 -10.6344 -10.6344 -10.1476 -10.1476 -10.1261 -10.1261 -2.1834 -2.1834 -0.9244 -0.9244 0.1078 0.1078 0.3999 0.3999 0.6556 0.6556 0.8310 0.8310 1.0567 1.0567 1.1230 1.1230 1.5320 1.5320 1.9585 1.9585 2.6601 2.6601 2.9901 2.9901 3.2291 3.2291 4.2866 4.2866 4.3220 4.3220 4.9050 4.9050 5.3644 5.3644 5.4432 5.4432 5.5324 5.5324 5.9683 5.9683 6.1432 6.1432 6.1872 6.1872 6.2899 6.2899 9.5440 9.5440 10.7776 10.7776 11.8882 11.8882 13.4732 13.4732 14.2444 14.2444 14.9756 14.9756 k = 0.1857 0.1072 0.5453 ( 4190 PWs) bands (ev): -12.3962 -12.3962 -10.8253 -10.8253 -10.7694 -10.7694 -10.6475 -10.6475 -10.1467 -10.1467 -10.1212 -10.1212 -2.1741 -2.1741 -0.9718 -0.9718 0.0844 0.0844 0.4061 0.4061 0.6489 0.6489 0.8487 0.8487 1.0734 1.0734 1.1273 1.1273 1.6075 1.6075 1.9810 1.9810 2.7062 2.7062 2.9822 2.9822 3.2621 3.2621 4.2240 4.2240 4.3051 4.3051 4.8993 4.8993 5.3827 5.3827 5.4252 5.4252 5.5198 5.5198 5.9251 5.9251 6.1318 6.1318 6.1799 6.1799 6.2855 6.2855 9.5881 9.5881 10.7388 10.7388 11.9504 11.9504 13.4181 13.4181 14.2551 14.2551 14.9439 14.9439 k = 0.2000 0.1155 0.5453 ( 4200 PWs) bands (ev): -12.3780 -12.3780 -10.8159 -10.8159 -10.7980 -10.7980 -10.6602 -10.6602 -10.1465 -10.1465 -10.1165 -10.1165 -2.1641 -2.1641 -1.0189 -1.0189 0.0613 0.0613 0.4102 0.4102 0.6451 0.6451 0.8690 0.8690 1.0890 1.0890 1.1325 1.1325 1.6834 1.6834 2.0043 2.0043 2.7511 2.7511 2.9743 2.9743 3.2980 3.2980 4.1627 4.1627 4.2842 4.2842 4.8934 4.8934 5.3988 5.3988 5.4088 5.4088 5.5068 5.5068 5.8814 5.8814 6.1185 6.1185 6.1725 6.1725 6.2820 6.2820 9.6318 9.6318 10.6990 10.6990 12.0152 12.0152 13.3609 13.3609 14.2642 14.2642 14.9110 14.9110 k = 0.2143 0.1237 0.5453 ( 4204 PWs) bands (ev): -12.3587 -12.3587 -10.8345 -10.8345 -10.7996 -10.7996 -10.6722 -10.6722 -10.1472 -10.1472 -10.1121 -10.1121 -2.1536 -2.1536 -1.0655 -1.0655 0.0386 0.0386 0.4120 0.4120 0.6443 0.6443 0.8918 0.8918 1.1032 1.1032 1.1392 1.1392 1.7579 1.7579 2.0293 2.0293 2.7935 2.7935 2.9669 2.9669 3.3365 3.3365 4.1042 4.1042 4.2587 4.2587 4.8873 4.8873 5.3941 5.3941 5.4122 5.4122 5.4942 5.4942 5.8378 5.8378 6.1033 6.1033 6.1648 6.1648 6.2794 6.2794 9.6746 9.6746 10.6587 10.6587 12.0823 12.0823 13.3024 13.3024 14.2708 14.2708 14.8770 14.8770 k = 0.2286 0.1320 0.5453 ( 4198 PWs) bands (ev): -12.3382 -12.3382 -10.8669 -10.8669 -10.7888 -10.7888 -10.6830 -10.6830 -10.1488 -10.1488 -10.1079 -10.1079 -2.1425 -2.1425 -1.1115 -1.1115 0.0165 0.0165 0.4117 0.4117 0.6466 0.6466 0.9169 0.9169 1.1152 1.1152 1.1486 1.1486 1.8282 1.8282 2.0580 2.0580 2.8321 2.8321 2.9605 2.9605 3.3771 3.3771 4.0498 4.0498 4.2288 4.2288 4.8809 4.8809 5.3818 5.3818 5.4205 5.4205 5.4843 5.4843 5.7949 5.7949 6.0864 6.0864 6.1567 6.1567 6.2776 6.2776 9.7161 9.7161 10.6183 10.6183 12.1511 12.1511 13.2435 13.2435 14.2743 14.2743 14.8415 14.8415 k = 0.2429 0.1402 0.5453 ( 4198 PWs) bands (ev): -12.3167 -12.3167 -10.9007 -10.9007 -10.7786 -10.7786 -10.6918 -10.6918 -10.1513 -10.1513 -10.1040 -10.1040 -2.1308 -2.1308 -1.1566 -1.1566 -0.0048 -0.0048 0.4095 0.4095 0.6515 0.6515 0.9442 0.9442 1.1243 1.1243 1.1613 1.1613 1.8902 1.8902 2.0936 2.0936 2.8648 2.8648 2.9562 2.9562 3.4190 3.4190 4.0014 4.0014 4.1944 4.1944 4.8737 4.8737 5.3715 5.3715 5.4197 5.4197 5.4811 5.4811 5.7534 5.7534 6.0680 6.0680 6.1481 6.1481 6.2765 6.2765 9.7556 9.7556 10.5783 10.5783 12.2211 12.2211 13.1847 13.1847 14.2743 14.2743 14.8047 14.8047 k = 0.2571 0.1485 0.5453 ( 4194 PWs) bands (ev): -12.2941 -12.2941 -10.9355 -10.9355 -10.7709 -10.7709 -10.6970 -10.6970 -10.1547 -10.1547 -10.1004 -10.1004 -2.1186 -2.1186 -1.2008 -1.2008 -0.0254 -0.0254 0.4058 0.4058 0.6586 0.6586 0.9734 0.9734 1.1313 1.1313 1.1770 1.1770 1.9395 1.9395 2.1396 2.1396 2.8891 2.8891 2.9559 2.9559 3.4607 3.4607 3.9611 3.9611 4.1561 4.1561 4.8655 4.8655 5.3631 5.3631 5.4088 5.4088 5.4857 5.4857 5.7140 5.7140 6.0483 6.0483 6.1390 6.1390 6.2759 6.2759 9.7928 9.7928 10.5393 10.5393 12.2918 12.2918 13.1268 13.1268 14.2708 14.2708 14.7665 14.7665 k = 0.2714 0.1567 0.5453 ( 4190 PWs) bands (ev): -12.2705 -12.2705 -10.9710 -10.9710 -10.7677 -10.7677 -10.6967 -10.6967 -10.1591 -10.1591 -10.0971 -10.0971 -2.1058 -2.1058 -1.2439 -1.2439 -0.0450 -0.0450 0.4010 0.4010 0.6674 0.6674 1.0040 1.0040 1.1372 1.1372 1.1949 1.1949 1.9747 1.9747 2.1961 2.1961 2.9027 2.9027 2.9613 2.9613 3.5001 3.5001 3.9320 3.9320 4.1144 4.1144 4.8560 4.8560 5.3559 5.3559 5.3912 5.3912 5.4945 5.4945 5.6776 5.6776 6.0276 6.0276 6.1293 6.1293 6.2758 6.2758 9.8270 9.8270 10.5017 10.5017 12.3625 12.3625 13.0705 13.0705 14.2641 14.2641 14.7270 14.7270 k = 0.2857 0.1650 0.5453 ( 4182 PWs) bands (ev): -12.2460 -12.2460 -11.0070 -11.0070 -10.7696 -10.7696 -10.6904 -10.6904 -10.1645 -10.1645 -10.0940 -10.0940 -2.0926 -2.0926 -1.2860 -1.2860 -0.0636 -0.0636 0.3958 0.3958 0.6773 0.6773 1.0356 1.0356 1.1429 1.1429 1.2146 1.2146 1.9987 1.9987 2.2593 2.2593 2.9083 2.9083 2.9697 2.9697 3.5345 3.5345 3.9175 3.9175 4.0700 4.0700 4.8447 4.8447 5.3491 5.3491 5.3698 5.3698 5.5049 5.5049 5.6455 5.6455 6.0061 6.0061 6.1190 6.1190 6.2760 6.2760 9.8577 9.8577 10.4664 10.4664 12.4321 12.4321 13.0168 13.0168 14.2545 14.2545 14.6865 14.6865 k = 0.3000 0.1732 0.5453 ( 4186 PWs) bands (ev): -12.2207 -12.2207 -11.0434 -11.0434 -10.7751 -10.7751 -10.6794 -10.6794 -10.1708 -10.1708 -10.0912 -10.0912 -2.0787 -2.0787 -1.3269 -1.3269 -0.0812 -0.0812 0.3904 0.3904 0.6881 0.6881 1.0671 1.0671 1.1491 1.1491 1.2361 1.2361 2.0147 2.0147 2.3239 2.3239 2.9117 2.9117 2.9757 2.9757 3.5614 3.5614 3.9204 3.9204 4.0237 4.0237 4.8314 4.8314 5.3411 5.3411 5.3459 5.3459 5.5156 5.5156 5.6190 5.6190 5.9840 5.9840 6.1080 6.1080 6.2765 6.2765 9.8843 9.8843 10.4340 10.4340 12.4993 12.4993 12.9673 12.9673 14.2427 14.2427 14.6453 14.6453 k = 0.3143 0.1815 0.5453 ( 4186 PWs) bands (ev): -12.1947 -12.1947 -11.0801 -11.0801 -10.7826 -10.7826 -10.6656 -10.6656 -10.1780 -10.1780 -10.0886 -10.0886 -2.0644 -2.0644 -1.3666 -1.3666 -0.0977 -0.0977 0.3850 0.3850 0.6993 0.6993 1.0966 1.0966 1.1574 1.1574 1.2596 1.2596 2.0253 2.0253 2.3855 2.3855 2.9169 2.9169 2.9768 2.9768 3.5805 3.5805 3.9410 3.9410 3.9767 3.9767 4.8159 4.8159 5.3190 5.3190 5.3316 5.3316 5.5261 5.5261 5.5994 5.5994 5.9616 5.9616 6.0964 6.0964 6.2771 6.2771 9.9062 9.9062 10.4052 10.4052 12.5615 12.5615 12.9243 12.9243 14.2291 14.2291 14.6036 14.6036 k = 0.3286 0.1897 0.5453 ( 4194 PWs) bands (ev): -12.1681 -12.1681 -11.1168 -11.1168 -10.7907 -10.7907 -10.6503 -10.6503 -10.1860 -10.1860 -10.0863 -10.0863 -2.0496 -2.0496 -1.4051 -1.4051 -0.1132 -0.1132 0.3800 0.3800 0.7105 0.7105 1.1203 1.1203 1.1707 1.1707 1.2853 1.2853 2.0316 2.0316 2.4402 2.4402 2.9252 2.9252 2.9739 2.9739 3.5937 3.5937 3.9281 3.9281 3.9782 3.9782 4.7978 4.7978 5.2905 5.2905 5.3187 5.3187 5.5364 5.5364 5.5875 5.5875 5.9391 5.9391 6.0843 6.0843 6.2779 6.2779 9.9229 9.9229 10.3809 10.3809 12.6134 12.6134 12.8931 12.8931 14.2144 14.2144 14.5618 14.5618 k = 0.3429 0.1979 0.5453 ( 4188 PWs) bands (ev): -12.1410 -12.1410 -11.1533 -11.1533 -10.7990 -10.7990 -10.6340 -10.6340 -10.1949 -10.1949 -10.0842 -10.0842 -2.0342 -2.0342 -1.4423 -1.4423 -0.1274 -0.1274 0.3753 0.3753 0.7218 0.7218 1.1352 1.1352 1.1917 1.1917 1.3136 1.3136 2.0344 2.0344 2.4847 2.4847 2.9317 2.9317 2.9753 2.9753 3.6041 3.6041 3.8812 3.8812 4.0255 4.0255 4.7771 4.7771 5.2598 5.2598 5.3030 5.3030 5.5464 5.5464 5.5833 5.5833 5.9166 5.9166 6.0715 6.0715 6.2787 6.2787 9.9339 9.9339 10.3616 10.3616 12.6456 12.6456 12.8831 12.8831 14.1991 14.1991 14.5201 14.5201 k = 0.3571 0.2062 0.5453 ( 4192 PWs) bands (ev): -12.1136 -12.1136 -11.1895 -11.1895 -10.8070 -10.8070 -10.6173 -10.6173 -10.2044 -10.2044 -10.0823 -10.0823 -2.0184 -2.0184 -1.4781 -1.4781 -0.1405 -0.1405 0.3711 0.3711 0.7326 0.7326 1.1434 1.1434 1.2173 1.2173 1.3446 1.3446 2.0341 2.0341 2.5169 2.5169 2.9239 2.9239 2.9959 2.9959 3.6139 3.6139 3.8355 3.8355 4.0804 4.0804 4.7539 4.7539 5.2270 5.2270 5.2851 5.2851 5.5564 5.5564 5.5854 5.5854 5.8945 5.8945 6.0583 6.0583 6.2796 6.2796 9.9392 9.9392 10.3476 10.3476 12.6505 12.6505 12.9015 12.9015 14.1836 14.1836 14.4790 14.4790 k = 0.3714 0.2144 0.5453 ( 4192 PWs) bands (ev): -12.0862 -12.0862 -11.2250 -11.2250 -10.8145 -10.8145 -10.6004 -10.6004 -10.2146 -10.2146 -10.0807 -10.0807 -2.0021 -2.0021 -1.5126 -1.5126 -0.1525 -0.1525 0.3675 0.3675 0.7429 0.7429 1.1487 1.1487 1.2436 1.2436 1.3780 1.3780 2.0308 2.0308 2.5368 2.5368 2.9060 2.9060 3.0326 3.0326 3.6241 3.6241 3.7919 3.7919 4.1398 4.1398 4.7282 4.7282 5.1921 5.1921 5.2663 5.2663 5.5669 5.5669 5.5922 5.5922 5.8728 5.8728 6.0446 6.0446 6.2804 6.2804 9.9393 9.9393 10.3386 10.3386 12.6347 12.6347 12.9418 12.9418 14.1684 14.1684 14.4387 14.4387 k = 0.3857 0.2227 0.5453 ( 4188 PWs) bands (ev): -12.0590 -12.0590 -11.2596 -11.2596 -10.8214 -10.8214 -10.5836 -10.5836 -10.2251 -10.2251 -10.0792 -10.0792 -1.9855 -1.9855 -1.5456 -1.5456 -0.1632 -0.1632 0.3643 0.3643 0.7526 0.7526 1.1526 1.1526 1.2688 1.2688 1.4133 1.4133 2.0249 2.0249 2.5460 2.5460 2.8841 2.8841 3.0785 3.0785 3.6348 3.6348 3.7512 3.7512 4.2018 4.2018 4.7006 4.7006 5.1552 5.1552 5.2478 5.2478 5.5777 5.5777 5.6021 5.6021 5.8520 5.8520 6.0307 6.0307 6.2813 6.2813 9.9351 9.9351 10.3341 10.3341 12.6098 12.6098 12.9917 12.9917 14.1536 14.1536 14.3997 14.3997 k = 0.4000 0.2309 0.5453 ( 4192 PWs) bands (ev): -12.0324 -12.0324 -11.2928 -11.2928 -10.8277 -10.8277 -10.5671 -10.5671 -10.2360 -10.2360 -10.0779 -10.0779 -1.9684 -1.9684 -1.5770 -1.5770 -0.1727 -0.1727 0.3616 0.3616 0.7615 0.7615 1.1557 1.1557 1.2923 1.2923 1.4496 1.4496 2.0166 2.0166 2.5473 2.5473 2.8612 2.8612 3.1291 3.1291 3.6456 3.6456 3.7140 3.7140 4.2648 4.2648 4.6716 4.6716 5.1163 5.1163 5.2305 5.2305 5.5887 5.5887 5.6143 5.6143 5.8320 5.8320 6.0166 6.0166 6.2821 6.2821 9.9279 9.9279 10.3329 10.3329 12.5827 12.5827 13.0440 13.0440 14.1396 14.1396 14.3625 14.3625 k = 0.4143 0.2392 0.5453 ( 4196 PWs) bands (ev): -12.0068 -12.0068 -11.3242 -11.3242 -10.8332 -10.8332 -10.5513 -10.5513 -10.2469 -10.2469 -10.0769 -10.0769 -1.9512 -1.9512 -1.6068 -1.6068 -0.1810 -0.1810 0.3594 0.3594 0.7694 0.7694 1.1582 1.1582 1.3137 1.3137 1.4857 1.4857 2.0062 2.0062 2.5433 2.5433 2.8388 2.8388 3.1809 3.1809 3.6554 3.6554 3.6815 3.6815 4.3277 4.3277 4.6421 4.6421 5.0758 5.0758 5.2151 5.2151 5.5993 5.5993 5.6278 5.6278 5.8133 5.8133 6.0027 6.0027 6.2828 6.2828 9.9189 9.9189 10.3340 10.3340 12.5567 12.5567 13.0950 13.0950 14.1266 14.1266 14.3278 14.3278 k = 0.4286 0.2474 0.5453 ( 4204 PWs) bands (ev): -11.9827 -11.9827 -11.3532 -11.3532 -10.8380 -10.8380 -10.5365 -10.5365 -10.2575 -10.2575 -10.0760 -10.0760 -1.9340 -1.9340 -1.6346 -1.6346 -0.1880 -0.1880 0.3576 0.3576 0.7763 0.7763 1.1602 1.1602 1.3328 1.3328 1.5204 1.5204 1.9944 1.9944 2.5363 2.5363 2.8181 2.8181 3.2308 3.2308 3.6487 3.6487 3.6690 3.6690 4.3893 4.3893 4.6133 4.6133 5.0340 5.0340 5.2018 5.2018 5.6094 5.6094 5.6418 5.6418 5.7960 5.7960 5.9892 5.9892 6.2834 6.2834 9.9093 9.9093 10.3365 10.3365 12.5333 12.5333 13.1421 13.1421 14.1146 14.1146 14.2964 14.2964 k = 0.4429 0.2557 0.5453 ( 4204 PWs) bands (ev): -11.9611 -11.9611 -11.3789 -11.3789 -10.8419 -10.8419 -10.5231 -10.5231 -10.2674 -10.2674 -10.0752 -10.0752 -1.9172 -1.9172 -1.6601 -1.6601 -0.1938 -0.1938 0.3562 0.3562 0.7821 0.7821 1.1618 1.1618 1.3493 1.3493 1.5524 1.5524 1.9818 1.9818 2.5280 2.5280 2.7999 2.7999 3.2762 3.2762 3.6256 3.6256 3.6764 3.6764 4.4481 4.4481 4.5868 4.5868 4.9916 4.9916 5.1909 5.1909 5.6189 5.6189 5.6552 5.6552 5.7806 5.7806 5.9768 5.9768 6.2840 6.2840 9.9003 9.9003 10.3395 10.3395 12.5134 12.5134 13.1838 13.1838 14.1040 14.1040 14.2690 14.2690 k = 0.4571 0.2639 0.5453 ( 4204 PWs) bands (ev): -11.9426 -11.9426 -11.4006 -11.4006 -10.8450 -10.8450 -10.5116 -10.5116 -10.2761 -10.2761 -10.0747 -10.0747 -1.9015 -1.9015 -1.6826 -1.6826 -0.1983 -0.1983 0.3552 0.3552 0.7866 0.7866 1.1631 1.1631 1.3629 1.3629 1.5801 1.5801 1.9697 1.9697 2.5200 2.5200 2.7851 2.7851 3.3148 3.3148 3.6064 3.6064 3.6834 3.6834 4.5018 4.5018 4.5648 4.5648 4.9500 4.9500 5.1824 5.1824 5.6275 5.6275 5.6668 5.6668 5.7676 5.7676 5.9659 5.9659 6.2844 6.2844 9.8924 9.8924 10.3424 10.3424 12.4975 12.4975 13.2183 13.2183 14.0950 14.0950 14.2467 14.2467 k = 0.4714 0.2722 0.5453 ( 4208 PWs) bands (ev): -11.9284 -11.9284 -11.4171 -11.4171 -10.8472 -10.8472 -10.5028 -10.5028 -10.2830 -10.2830 -10.0743 -10.0743 -1.8880 -1.8880 -1.7009 -1.7009 -0.2015 -0.2015 0.3545 0.3545 0.7899 0.7899 1.1640 1.1640 1.3729 1.3729 1.6019 1.6019 1.9594 1.9594 2.5134 2.5134 2.7742 2.7742 3.3444 3.3444 3.5922 3.5922 3.6886 3.6886 4.5356 4.5356 4.5607 4.5607 4.9122 4.9122 5.1764 5.1764 5.6347 5.6347 5.6756 5.6756 5.7576 5.7576 5.9573 5.9573 6.2847 6.2847 9.8865 9.8865 10.3447 10.3447 12.4860 12.4860 13.2443 13.2443 14.0879 14.0879 14.2302 14.2302 k = 0.4857 0.2804 0.5453 ( 4192 PWs) bands (ev): -11.9193 -11.9193 -11.4275 -11.4275 -10.8485 -10.8485 -10.4971 -10.4971 -10.2875 -10.2875 -10.0740 -10.0740 -1.8785 -1.8785 -1.7133 -1.7133 -0.2034 -0.2034 0.3541 0.3541 0.7920 0.7920 1.1646 1.1646 1.3792 1.3792 1.6160 1.6160 1.9523 1.9523 2.5091 2.5091 2.7675 2.7675 3.3631 3.3631 3.5835 3.5835 3.6918 3.6918 4.5302 4.5302 4.5893 4.5893 4.8834 4.8834 5.1728 5.1728 5.6398 5.6398 5.6810 5.6810 5.7514 5.7514 5.9517 5.9517 6.2849 6.2849 9.8827 9.8827 10.3463 10.3463 12.4790 12.4790 13.2605 13.2605 14.0833 14.0833 14.2201 14.2201 k = 0.5000 0.2887 0.5453 ( 4204 PWs) bands (ev): -11.9162 -11.9162 -11.4311 -11.4311 -10.8489 -10.8489 -10.4952 -10.4952 -10.2891 -10.2891 -10.0740 -10.0740 -1.8750 -1.8750 -1.7178 -1.7178 -0.2041 -0.2041 0.3539 0.3539 0.7926 0.7926 1.1648 1.1648 1.3813 1.3813 1.6209 1.6209 1.9497 1.9497 2.5076 2.5076 2.7652 2.7652 3.3694 3.3694 3.5805 3.5805 3.6929 3.6929 4.5268 4.5268 4.6019 4.6019 4.8721 4.8721 5.1716 5.1716 5.6416 5.6416 5.6827 5.6827 5.7492 5.7492 5.9498 5.9498 6.2849 6.2849 9.8815 9.8815 10.3468 10.3468 12.4766 12.4766 13.2660 13.2660 14.0817 14.0817 14.2167 14.2167 k = 0.5000 0.2887 0.5453 ( 4204 PWs) bands (ev): -11.9162 -11.9162 -11.4311 -11.4311 -10.8489 -10.8489 -10.4952 -10.4952 -10.2891 -10.2891 -10.0740 -10.0740 -1.8750 -1.8750 -1.7178 -1.7178 -0.2041 -0.2041 0.3539 0.3539 0.7926 0.7926 1.1648 1.1648 1.3813 1.3813 1.6209 1.6209 1.9497 1.9497 2.5076 2.5076 2.7652 2.7652 3.3694 3.3694 3.5805 3.5805 3.6929 3.6929 4.5268 4.5268 4.6019 4.6019 4.8721 4.8721 5.1716 5.1716 5.6416 5.6416 5.6827 5.6827 5.7492 5.7492 5.9498 5.9498 6.2849 6.2849 9.8815 9.8815 10.3468 10.3468 12.4766 12.4766 13.2660 13.2660 14.0817 14.0817 14.2167 14.2167 k = 0.4917 0.3031 0.5453 ( 4210 PWs) bands (ev): -11.9155 -11.9155 -11.4314 -11.4314 -10.8496 -10.8496 -10.4948 -10.4948 -10.2893 -10.2893 -10.0739 -10.0739 -1.8752 -1.8752 -1.7181 -1.7181 -0.2015 -0.2015 0.3549 0.3549 0.7923 0.7923 1.1646 1.1646 1.3793 1.3793 1.6138 1.6138 1.9559 1.9559 2.4932 2.4932 2.7822 2.7822 3.3632 3.3632 3.5798 3.5798 3.7013 3.7013 4.5255 4.5255 4.6014 4.6014 4.8717 4.8717 5.1705 5.1705 5.6410 5.6410 5.6839 5.6839 5.7492 5.7492 5.9498 5.9498 6.2847 6.2847 9.8820 9.8820 10.3453 10.3453 12.4759 12.4759 13.2654 13.2654 14.0512 14.0512 14.2495 14.2495 k = 0.4833 0.3175 0.5453 ( 4214 PWs) bands (ev): -11.9134 -11.9134 -11.4324 -11.4324 -10.8517 -10.8517 -10.4938 -10.4938 -10.2900 -10.2900 -10.0738 -10.0738 -1.8757 -1.8757 -1.7190 -1.7190 -0.1936 -0.1936 0.3579 0.3579 0.7913 0.7913 1.1640 1.1640 1.3734 1.3734 1.5946 1.5946 1.9725 1.9725 2.4587 2.4587 2.8251 2.8251 3.3463 3.3463 3.5777 3.5777 3.7247 3.7247 4.5217 4.5217 4.5997 4.5997 4.8705 4.8705 5.1673 5.1673 5.6394 5.6394 5.6872 5.6872 5.7491 5.7491 5.9498 5.9498 6.2839 6.2839 9.8836 9.8836 10.3407 10.3407 12.4737 12.4737 13.2635 13.2635 13.9938 13.9938 14.3135 14.3135 k = 0.4750 0.3320 0.5453 ( 4214 PWs) bands (ev): -11.9099 -11.9099 -11.4341 -11.4341 -10.8550 -10.8550 -10.4921 -10.4921 -10.2912 -10.2912 -10.0736 -10.0736 -1.8765 -1.8765 -1.7205 -1.7205 -0.1806 -0.1806 0.3628 0.3628 0.7896 0.7896 1.1629 1.1629 1.3636 1.3636 1.5667 1.5667 1.9957 1.9957 2.4163 2.4163 2.8814 2.8814 3.3232 3.3232 3.5743 3.5743 3.7590 3.7590 4.5153 4.5153 4.5969 4.5969 4.8686 4.8686 5.1619 5.1619 5.6373 5.6373 5.6920 5.6920 5.7489 5.7489 5.9497 5.9497 6.2827 6.2827 9.8863 9.8863 10.3332 10.3332 12.4699 12.4699 13.2605 13.2605 13.9324 13.9324 14.3859 14.3859 k = 0.4667 0.3464 0.5453 ( 4214 PWs) bands (ev): -11.9050 -11.9050 -11.4366 -11.4366 -10.8596 -10.8596 -10.4897 -10.4897 -10.2928 -10.2928 -10.0735 -10.0735 -1.8775 -1.8775 -1.7225 -1.7225 -0.1624 -0.1624 0.3697 0.3697 0.7873 0.7873 1.1612 1.1612 1.3498 1.3498 1.5337 1.5337 2.0212 2.0212 2.3735 2.3735 2.9443 2.9443 3.2981 3.2981 3.5695 3.5695 3.8006 3.8006 4.5063 4.5063 4.5929 4.5929 4.8657 4.8657 5.1545 5.1545 5.6351 5.6351 5.6979 5.6979 5.7487 5.7487 5.9497 5.9497 6.2810 6.2810 9.8901 9.8901 10.3229 10.3229 12.4647 12.4647 13.2564 13.2564 13.8720 13.8720 14.4618 14.4618 k = 0.4583 0.3608 0.5453 ( 4206 PWs) bands (ev): -11.8987 -11.8987 -11.4398 -11.4398 -10.8653 -10.8653 -10.4866 -10.4866 -10.2948 -10.2948 -10.0733 -10.0733 -1.8787 -1.8787 -1.7252 -1.7252 -0.1394 -0.1394 0.3783 0.3783 0.7843 0.7843 1.1586 1.1586 1.3324 1.3324 1.4982 1.4982 2.0452 2.0452 2.3343 2.3343 3.0097 3.0097 3.2746 3.2746 3.5635 3.5635 3.8468 3.8468 4.4949 4.4949 4.5877 4.5877 4.8619 4.8619 5.1452 5.1452 5.6333 5.6333 5.7043 5.7043 5.7486 5.7486 5.9495 5.9495 6.2789 6.2789 9.8949 9.8949 10.3100 10.3100 12.4580 12.4580 13.2515 13.2515 13.8141 13.8141 14.5396 14.5396 k = 0.4500 0.3753 0.5453 ( 4210 PWs) bands (ev): -11.8910 -11.8910 -11.4439 -11.4439 -10.8720 -10.8720 -10.4829 -10.4829 -10.2971 -10.2971 -10.0733 -10.0733 -1.8799 -1.8799 -1.7284 -1.7284 -0.1117 -0.1117 0.3885 0.3885 0.7806 0.7806 1.1547 1.1547 1.3117 1.3117 1.4614 1.4614 2.0644 2.0644 2.3020 2.3020 3.0738 3.0738 3.2568 3.2568 3.5566 3.5566 3.8959 3.8959 4.4812 4.4812 4.5813 4.5813 4.8570 4.8570 5.1340 5.1340 5.6320 5.6320 5.7109 5.7109 5.7487 5.7487 5.9491 5.9491 6.2765 6.2765 9.9006 9.9006 10.2947 10.2947 12.4499 12.4499 13.2459 13.2459 13.7596 13.7596 14.6184 14.6184 k = 0.4417 0.3897 0.5453 ( 4214 PWs) bands (ev): -11.8819 -11.8819 -11.4490 -11.4490 -10.8796 -10.8796 -10.4786 -10.4786 -10.2997 -10.2997 -10.0733 -10.0733 -1.8810 -1.8810 -1.7322 -1.7322 -0.0795 -0.0795 0.4002 0.4002 0.7762 0.7762 1.1487 1.1487 1.2892 1.2892 1.4241 1.4241 2.0756 2.0756 2.2792 2.2792 3.1283 3.1283 3.2533 3.2533 3.5490 3.5490 3.9468 3.9468 4.4652 4.4652 4.5736 4.5736 4.8508 4.8508 5.1211 5.1211 5.6313 5.6313 5.7171 5.7171 5.7494 5.7494 5.9484 5.9484 6.2738 6.2738 9.9072 9.9072 10.2774 10.2774 12.4404 12.4404 13.2399 13.2399 13.7088 13.7088 14.6978 14.6978 k = 0.4333 0.4041 0.5453 ( 4210 PWs) bands (ev): -11.8715 -11.8715 -11.4552 -11.4552 -10.8878 -10.8878 -10.4736 -10.4736 -10.3025 -10.3025 -10.0736 -10.0736 -1.8819 -1.8819 -1.7366 -1.7366 -0.0432 -0.0432 0.4130 0.4130 0.7713 0.7713 1.1395 1.1395 1.2667 1.2667 1.3863 1.3863 2.0772 2.0772 2.2670 2.2670 3.1570 3.1570 3.2803 3.2803 3.5412 3.5412 3.9986 3.9986 4.4472 4.4472 4.5646 4.5646 4.8433 4.8433 5.1068 5.1068 5.6313 5.6313 5.7222 5.7222 5.7513 5.7513 5.9474 5.9474 6.2708 6.2708 9.9147 9.9147 10.2583 10.2583 12.4296 12.4296 13.2336 13.2336 13.6620 13.6620 14.7775 14.7775 k = 0.4250 0.4186 0.5453 ( 4210 PWs) bands (ev): -11.8597 -11.8597 -11.4625 -11.4625 -10.8965 -10.8965 -10.4681 -10.4681 -10.3057 -10.3057 -10.0740 -10.0740 -1.8824 -1.8824 -1.7416 -1.7416 -0.0030 -0.0030 0.4268 0.4268 0.7657 0.7657 1.1258 1.1258 1.2465 1.2465 1.3479 1.3479 2.0707 2.0707 2.2634 2.2634 3.1626 3.1626 3.3345 3.3345 3.5342 3.5342 4.0507 4.0507 4.4273 4.4273 4.5541 4.5541 4.8342 4.8342 5.0911 5.0911 5.6320 5.6320 5.7253 5.7253 5.7552 5.7552 5.9458 5.9458 6.2678 6.2678 9.9228 9.9228 10.2379 10.2379 12.4177 12.4177 13.2274 13.2274 13.6193 13.6193 14.8570 14.8570 k = 0.4167 0.4330 0.5453 ( 4214 PWs) bands (ev): -11.8466 -11.8466 -11.4711 -11.4711 -10.9055 -10.9055 -10.4619 -10.4619 -10.3091 -10.3091 -10.0746 -10.0746 -1.8825 -1.8825 -1.7472 -1.7472 0.0405 0.0405 0.4411 0.4411 0.7597 0.7597 1.1068 1.1068 1.2305 1.2305 1.3085 1.3085 2.0595 2.0595 2.2645 2.2645 3.1626 3.1626 3.3957 3.3957 3.5306 3.5306 4.1024 4.1024 4.4058 4.4058 4.5423 4.5423 4.8235 4.8235 5.0745 5.0745 5.6333 5.6333 5.7262 5.7262 5.7613 5.7613 5.9437 5.9437 6.2647 6.2647 9.9317 9.9317 10.2165 10.2165 12.4050 12.4050 13.2215 13.2215 13.5809 13.5809 14.9362 14.9362 k = 0.4083 0.4474 0.5453 ( 4214 PWs) bands (ev): -11.8322 -11.8322 -11.4812 -11.4812 -10.9144 -10.9144 -10.4552 -10.4552 -10.3129 -10.3129 -10.0754 -10.0754 -1.8820 -1.8820 -1.7533 -1.7533 0.0869 0.0869 0.4556 0.4556 0.7535 0.7535 1.0829 1.0829 1.2190 1.2190 1.2682 1.2682 2.0473 2.0473 2.2668 2.2668 3.1641 3.1641 3.4467 3.4467 3.5404 3.5404 4.1531 4.1531 4.3830 4.3830 4.5294 4.5294 4.8109 4.8109 5.0571 5.0571 5.6354 5.6354 5.7253 5.7253 5.7690 5.7690 5.9409 5.9409 6.2616 6.2616 9.9412 9.9412 10.1944 10.1944 12.3917 12.3917 13.2160 13.2160 13.5467 13.5467 15.0147 15.0147 k = 0.4000 0.4619 0.5453 ( 4218 PWs) bands (ev): -11.8165 -11.8165 -11.4927 -11.4927 -10.9231 -10.9231 -10.4479 -10.4479 -10.3170 -10.3170 -10.0764 -10.0764 -1.8808 -1.8808 -1.7600 -1.7600 0.1356 0.1356 0.4698 0.4698 0.7476 0.7476 1.0561 1.0561 1.2099 1.2099 1.2281 1.2281 2.0359 2.0359 2.2681 2.2681 3.1689 3.1689 3.4673 3.4673 3.5813 3.5813 4.2016 4.2016 4.3594 4.3594 4.5156 4.5156 4.7963 4.7963 5.0394 5.0394 5.6380 5.6380 5.7231 5.7231 5.7779 5.7779 5.9372 5.9372 6.2587 6.2587 9.9511 9.9511 10.1722 10.1722 12.3781 12.3781 13.2113 13.2113 13.5167 13.5167 15.0923 15.0923 k = 0.3917 0.4763 0.5453 ( 4216 PWs) bands (ev): -11.7995 -11.7995 -11.5059 -11.5059 -10.9313 -10.9313 -10.4401 -10.4401 -10.3216 -10.3216 -10.0774 -10.0774 -1.8788 -1.8788 -1.7672 -1.7672 0.1858 0.1858 0.4830 0.4830 0.7427 0.7427 1.0281 1.0281 1.1820 1.1820 1.2085 1.2085 2.0263 2.0263 2.2676 2.2676 3.1770 3.1770 3.4672 3.4672 3.6428 3.6428 4.2461 4.2461 4.3361 4.3361 4.5019 4.5019 4.7797 4.7797 5.0216 5.0216 5.6412 5.6412 5.7200 5.7200 5.7876 5.7876 5.9327 5.9327 6.2560 6.2560 9.9613 9.9613 10.1502 10.1502 12.3646 12.3646 13.2074 13.2074 13.4906 13.4906 15.1688 15.1688 k = 0.3833 0.4907 0.5453 ( 4212 PWs) bands (ev): -11.7813 -11.7813 -11.5208 -11.5208 -10.9388 -10.9388 -10.4318 -10.4318 -10.3268 -10.3268 -10.0785 -10.0785 -1.8758 -1.8758 -1.7750 -1.7750 0.2364 0.2364 0.4945 0.4945 0.7401 0.7401 1.0004 1.0004 1.1397 1.1397 1.2043 1.2043 2.0189 2.0189 2.2652 2.2652 3.1877 3.1877 3.4614 3.4614 3.7091 3.7091 4.2792 4.2792 4.3185 4.3185 4.4906 4.4906 4.7608 4.7608 5.0042 5.0042 5.6450 5.6450 5.7161 5.7161 5.7979 5.7979 5.9271 5.9271 6.2536 6.2536 9.9719 9.9719 10.1288 10.1288 12.3516 12.3516 13.2045 13.2045 13.4684 13.4684 15.2437 15.2437 k = 0.3750 0.5052 0.5453 ( 4212 PWs) bands (ev): -11.7618 -11.7618 -11.5374 -11.5374 -10.9455 -10.9455 -10.4231 -10.4231 -10.3326 -10.3326 -10.0796 -10.0796 -1.8718 -1.8718 -1.7833 -1.7833 0.2859 0.2859 0.5031 0.5031 0.7413 0.7413 0.9741 0.9741 1.0966 1.0966 1.2018 1.2018 2.0137 2.0137 2.2615 2.2615 3.2000 3.2000 3.4542 3.4542 3.7749 3.7749 4.2766 4.2766 4.3271 4.3271 4.4860 4.4860 4.7398 4.7398 4.9877 4.9877 5.6493 5.6493 5.7115 5.7115 5.8087 5.8087 5.9205 5.9205 6.2516 6.2516 9.9825 9.9825 10.1083 10.1083 12.3396 12.3396 13.2026 13.2026 13.4498 13.4498 15.3169 15.3169 k = 0.3667 0.5196 0.5453 ( 4212 PWs) bands (ev): -11.7412 -11.7412 -11.5557 -11.5557 -10.9511 -10.9511 -10.4140 -10.4140 -10.3390 -10.3390 -10.0806 -10.0806 -1.8668 -1.8668 -1.7921 -1.7921 0.3325 0.3325 0.5079 0.5079 0.7487 0.7487 0.9496 0.9496 1.0537 1.0537 1.2002 1.2002 2.0102 2.0102 2.2570 2.2570 3.2128 3.2128 3.4472 3.4472 3.8373 3.8373 4.2582 4.2582 4.3372 4.3372 4.4942 4.4942 4.7165 4.7165 4.9724 4.9724 5.6542 5.6542 5.7064 5.7064 5.8200 5.8200 5.9127 5.9127 6.2499 6.2499 9.9932 9.9932 10.0893 10.0893 12.3289 12.3289 13.2017 13.2017 13.4347 13.4347 15.3876 15.3876 k = 0.3583 0.5340 0.5453 ( 4212 PWs) bands (ev): -11.7195 -11.7195 -11.5758 -11.5758 -10.9556 -10.9556 -10.4044 -10.4044 -10.3464 -10.3464 -10.0815 -10.0815 -1.8606 -1.8606 -1.8014 -1.8014 0.3739 0.3739 0.5084 0.5084 0.7644 0.7644 0.9276 0.9276 1.0115 1.0115 1.1991 1.1991 2.0082 2.0082 2.2524 2.2524 3.2249 3.2249 3.4411 3.4411 3.8932 3.8932 4.2422 4.2422 4.3319 4.3319 4.5161 4.5161 4.6911 4.6911 4.9591 4.9591 5.6597 5.6597 5.7006 5.7006 5.8318 5.8318 5.9037 5.9037 6.2486 6.2486 10.0038 10.0038 10.0720 10.0720 12.3200 12.3200 13.2017 13.2017 13.4229 13.4229 15.4553 15.4553 k = 0.3500 0.5485 0.5453 ( 4220 PWs) bands (ev): -11.6967 -11.6967 -11.5974 -11.5974 -10.9589 -10.9589 -10.3945 -10.3945 -10.3545 -10.3545 -10.0822 -10.0822 -1.8532 -1.8532 -1.8110 -1.8110 0.4073 0.4073 0.5050 0.5050 0.7897 0.7897 0.9081 0.9081 0.9709 0.9709 1.1983 1.1983 2.0073 2.0073 2.2484 2.2484 3.2349 3.2349 3.4364 3.4364 3.9380 3.9380 4.2346 4.2346 4.3151 4.3151 4.5455 4.5455 4.6640 4.6640 4.9484 4.9484 5.6657 5.6657 5.6942 5.6942 5.8439 5.8439 5.8935 5.8935 6.2477 6.2477 10.0140 10.0140 10.0567 10.0567 12.3133 12.3133 13.2022 13.2022 13.4143 13.4143 15.5187 15.5188 k = 0.3417 0.5629 0.5453 ( 4220 PWs) bands (ev): -11.6733 -11.6733 -11.6201 -11.6201 -10.9608 -10.9608 -10.3844 -10.3844 -10.3636 -10.3636 -10.0826 -10.0826 -1.8450 -1.8450 -1.8206 -1.8206 0.4295 0.4295 0.5002 0.5002 0.8223 0.8223 0.8927 0.8927 0.9335 0.9335 1.1979 1.1979 2.0070 2.0070 2.2457 2.2457 3.2418 3.2418 3.4333 3.4333 3.9662 3.9662 4.2400 4.2400 4.2928 4.2928 4.5761 4.5761 4.6361 4.6361 4.9413 4.9413 5.6724 5.6724 5.6873 5.6873 5.8565 5.8565 5.8821 5.8821 6.2471 6.2471 10.0239 10.0239 10.0437 10.0437 12.3090 12.3090 13.2030 13.2030 13.4090 13.4090 15.5756 15.5760 k = 0.3333 0.5774 0.5453 ( 4230 PWs) bands (ev): -11.6555 -11.6555 -11.6378 -11.6378 -10.9615 -10.9615 -10.3751 -10.3751 -10.3726 -10.3726 -10.0827 -10.0827 -1.8393 -1.8393 -1.8269 -1.8269 0.4371 0.4371 0.4979 0.4979 0.8434 0.8434 0.8901 0.8901 0.9086 0.9086 1.1977 1.1977 2.0070 2.0070 2.2447 2.2447 3.2443 3.2443 3.4322 3.4322 3.9751 3.9751 4.2529 4.2529 4.2747 4.2747 4.5982 4.5982 4.6150 4.6150 4.9386 4.9386 5.6797 5.6797 5.6799 5.6799 5.8681 5.8681 5.8709 5.8709 6.2470 6.2470 10.0331 10.0331 10.0336 10.0336 12.3075 12.3075 13.2034 13.2034 13.4072 13.4072 15.6163 15.6288 k = 0.3333 0.5774 0.5453 ( 4230 PWs) bands (ev): -11.6555 -11.6555 -11.6378 -11.6378 -10.9615 -10.9615 -10.3751 -10.3751 -10.3726 -10.3726 -10.0827 -10.0827 -1.8393 -1.8393 -1.8269 -1.8269 0.4371 0.4371 0.4979 0.4979 0.8434 0.8434 0.8901 0.8901 0.9086 0.9086 1.1977 1.1977 2.0070 2.0070 2.2447 2.2447 3.2443 3.2443 3.4322 3.4322 3.9751 3.9751 4.2529 4.2529 4.2747 4.2747 4.5982 4.5982 4.6150 4.6150 4.9386 4.9386 5.6797 5.6797 5.6799 5.6799 5.8681 5.8681 5.8709 5.8709 6.2470 6.2470 10.0331 10.0331 10.0336 10.0336 12.3075 12.3075 13.2034 13.2034 13.4072 13.4072 15.6157 15.6166 k = 0.3250 0.5629 0.5453 ( 4222 PWs) bands (ev): -11.6744 -11.6744 -11.6190 -11.6190 -10.9608 -10.9608 -10.3850 -10.3850 -10.3630 -10.3630 -10.0826 -10.0826 -1.8458 -1.8458 -1.8198 -1.8198 0.4309 0.4309 0.4993 0.4993 0.8270 0.8270 0.8764 0.8764 0.9444 0.9444 1.1979 1.1979 2.0069 2.0069 2.2458 2.2458 3.2414 3.2414 3.4334 3.4334 3.9682 3.9682 4.2336 4.2336 4.2963 4.2963 4.5799 4.5799 4.6331 4.6331 4.9416 4.9416 5.6718 5.6718 5.6879 5.6879 5.8557 5.8557 5.8829 5.8829 6.2471 6.2471 10.0257 10.0257 10.0420 10.0420 12.3091 12.3091 13.2027 13.2027 13.4091 13.4091 15.5773 15.5775 k = 0.3167 0.5485 0.5453 ( 4210 PWs) bands (ev): -11.7013 -11.7013 -11.5925 -11.5925 -10.9589 -10.9589 -10.3970 -10.3970 -10.3522 -10.3522 -10.0821 -10.0821 -1.8567 -1.8567 -1.8073 -1.8073 0.4166 0.4166 0.5006 0.5006 0.7975 0.7975 0.8637 0.8637 1.0018 1.0018 1.1987 1.1987 2.0067 2.0067 2.2490 2.2490 3.2324 3.2324 3.4370 3.4370 3.9515 3.9515 4.2056 4.2056 4.3232 4.3232 4.5641 4.5641 4.6525 4.6525 4.9507 4.9507 5.6633 5.6633 5.6968 5.6968 5.8411 5.8411 5.8965 5.8965 6.2475 6.2475 10.0210 10.0210 10.0499 10.0499 12.3138 12.3138 13.2003 13.2003 13.4150 13.4150 15.5260 15.5260 k = 0.3083 0.5340 0.5453 ( 4214 PWs) bands (ev): -11.7297 -11.7297 -11.5647 -11.5647 -10.9558 -10.9558 -10.4100 -10.4100 -10.3411 -10.3411 -10.0815 -10.0815 -1.8684 -1.8684 -1.7929 -1.7929 0.3985 0.3985 0.4992 0.4992 0.7659 0.7659 0.8547 0.8547 1.0639 1.0639 1.2009 1.2009 2.0062 2.0062 2.2544 2.2544 3.2164 3.2164 3.4433 3.4433 3.9298 3.9298 4.1768 4.1768 4.3345 4.3345 4.5660 4.5660 4.6670 4.6670 4.9661 4.9661 5.6543 5.6543 5.7065 5.7065 5.8255 5.8255 5.9104 5.9104 6.2482 6.2482 10.0194 10.0194 10.0568 10.0568 12.3219 12.3219 13.1954 13.1954 13.4252 13.4252 15.4715 15.4715 k = 0.3000 0.5196 0.5453 ( 4214 PWs) bands (ev): -11.7590 -11.7590 -11.5358 -11.5358 -10.9515 -10.9515 -10.4240 -10.4240 -10.3300 -10.3300 -10.0806 -10.0806 -1.8806 -1.8806 -1.7768 -1.7768 0.3788 0.3788 0.4945 0.4945 0.7353 0.7353 0.8481 0.8481 1.1239 1.1239 1.2079 1.2079 2.0056 2.0056 2.2618 2.2618 3.1932 3.1932 3.4522 3.4522 3.9059 3.9059 4.1479 4.1479 4.3224 4.3224 4.5907 4.5907 4.6772 4.6772 4.9869 4.9869 5.6448 5.6448 5.7169 5.7169 5.8092 5.8092 5.9246 5.9246 6.2489 6.2489 10.0209 10.0209 10.0625 10.0625 12.3335 12.3335 13.1875 13.1875 13.4398 13.4398 15.4165 15.4165 k = 0.2917 0.5052 0.5453 ( 4214 PWs) bands (ev): -11.7892 -11.7892 -11.5060 -11.5060 -10.9461 -10.9461 -10.4387 -10.4387 -10.3188 -10.3188 -10.0795 -10.0795 -1.8931 -1.8931 -1.7591 -1.7591 0.3584 0.3584 0.4868 0.4868 0.7064 0.7064 0.8430 0.8430 1.1651 1.1651 1.2346 1.2346 2.0050 2.0050 2.2710 2.2710 3.1625 3.1625 3.4638 3.4638 3.8817 3.8817 4.1190 4.1190 4.2919 4.2919 4.6310 4.6310 4.6852 4.6852 5.0118 5.0118 5.6347 5.6347 5.7281 5.7281 5.7924 5.7924 5.9390 5.9390 6.2498 6.2498 10.0257 10.0257 10.0670 10.0670 12.3484 12.3484 13.1761 13.1761 13.4586 13.4586 15.3625 15.3625 k = 0.2833 0.4907 0.5453 ( 4210 PWs) bands (ev): -11.8200 -11.8200 -11.4754 -11.4754 -10.9397 -10.9397 -10.4543 -10.4543 -10.3076 -10.3076 -10.0783 -10.0783 -1.9060 -1.9060 -1.7398 -1.7398 0.3379 0.3379 0.4767 0.4767 0.6798 0.6798 0.8390 0.8390 1.1780 1.1780 1.2889 1.2889 2.0047 2.0047 2.2818 2.2818 3.1245 3.1245 3.4777 3.4777 3.8587 3.8587 4.0899 4.0899 4.2505 4.2505 4.6716 4.6716 4.6999 4.6999 5.0395 5.0395 5.6242 5.6242 5.7393 5.7393 5.7761 5.7761 5.9535 5.9535 6.2507 6.2507 10.0338 10.0338 10.0701 10.0701 12.3667 12.3667 13.1611 13.1611 13.4814 13.4814 15.3105 15.3105 k = 0.2750 0.4763 0.5453 ( 4198 PWs) bands (ev): -11.8512 -11.8512 -11.4440 -11.4440 -10.9323 -10.9323 -10.4705 -10.4705 -10.2964 -10.2964 -10.0771 -10.0771 -1.9190 -1.9190 -1.7189 -1.7189 0.3179 0.3179 0.4647 0.4647 0.6556 0.6556 0.8357 0.8357 1.1810 1.1810 1.3509 1.3509 2.0049 2.0049 2.2944 2.2944 3.0797 3.0797 3.4933 3.4933 3.8382 3.8382 4.0601 4.0601 4.2026 4.2026 4.6858 4.6858 4.7444 4.7444 5.0689 5.0689 5.6131 5.6131 5.7452 5.7452 5.7658 5.7658 5.9683 5.9683 6.2516 6.2516 10.0450 10.0450 10.0715 10.0715 12.3883 12.3883 13.1422 13.1422 13.5080 13.5080 15.2615 15.2615 k = 0.2667 0.4619 0.5453 ( 4202 PWs) bands (ev): -11.8827 -11.8827 -11.4119 -11.4119 -10.9241 -10.9241 -10.4873 -10.4873 -10.2853 -10.2853 -10.0758 -10.0758 -1.9323 -1.9323 -1.6964 -1.6964 0.2985 0.2985 0.4514 0.4514 0.6338 0.6338 0.8326 0.8326 1.1812 1.1812 1.4116 1.4116 2.0058 2.0058 2.3088 2.3088 3.0286 3.0286 3.5097 3.5097 3.8216 3.8216 4.0291 4.0291 4.1508 4.1508 4.6916 4.6916 4.7991 4.7991 5.0990 5.0990 5.6015 5.6015 5.7339 5.7339 5.7736 5.7736 5.9831 5.9831 6.2524 6.2524 10.0592 10.0592 10.0714 10.0714 12.4129 12.4129 13.1195 13.1195 13.5380 13.5380 15.2161 15.2161 k = 0.2583 0.4474 0.5453 ( 4202 PWs) bands (ev): -11.9143 -11.9143 -11.3792 -11.3792 -10.9150 -10.9150 -10.5046 -10.5046 -10.2744 -10.2744 -10.0747 -10.0747 -1.9458 -1.9458 -1.6722 -1.6722 0.2799 0.2799 0.4373 0.4373 0.6145 0.6145 0.8297 0.8297 1.1803 1.1803 1.4679 1.4679 2.0076 2.0076 2.3254 2.3254 2.9719 2.9719 3.5256 3.5256 3.8104 3.8104 3.9963 3.9963 4.0969 4.0969 4.6970 4.6970 4.8554 4.8554 5.1292 5.1292 5.5895 5.5895 5.7173 5.7173 5.7879 5.7879 5.9980 5.9980 6.2530 6.2530 10.0677 10.0677 10.0782 10.0782 12.4402 12.4402 13.0930 13.0930 13.5711 13.5711 15.1750 15.1750 k = 0.2500 0.4330 0.5453 ( 4198 PWs) bands (ev): -11.9460 -11.9460 -11.3460 -11.3460 -10.9051 -10.9051 -10.5223 -10.5223 -10.2636 -10.2636 -10.0736 -10.0736 -1.9594 -1.9594 -1.6465 -1.6465 0.2623 0.2623 0.4230 0.4230 0.5975 0.5975 0.8269 0.8269 1.1788 1.1788 1.5178 1.5178 2.0103 2.0103 2.3448 2.3448 2.9103 2.9103 3.5391 3.5391 3.8064 3.8064 3.9610 3.9610 4.0426 4.0426 4.7033 4.7033 4.9115 4.9115 5.1591 5.1591 5.5771 5.5771 5.7003 5.7003 5.8038 5.8038 6.0130 6.0130 6.2536 6.2536 10.0637 10.0637 10.0983 10.0983 12.4699 12.4699 13.0629 13.0629 13.6069 13.6069 15.1387 15.1387 k = 0.2417 0.4186 0.5453 ( 4194 PWs) bands (ev): -11.9775 -11.9775 -11.3122 -11.3122 -10.8945 -10.8945 -10.5403 -10.5403 -10.2531 -10.2531 -10.0728 -10.0728 -1.9731 -1.9731 -1.6191 -1.6191 0.2457 0.2457 0.4089 0.4089 0.5828 0.5828 0.8240 0.8240 1.1767 1.1767 1.5596 1.5596 2.0134 2.0134 2.3679 2.3679 2.8449 2.8449 3.5484 3.5484 3.8105 3.8105 3.9221 3.9221 3.9902 3.9902 4.7107 4.7107 4.9668 4.9668 5.1884 5.1884 5.5644 5.5644 5.6837 5.6837 5.8208 5.8208 6.0280 6.0280 6.2540 6.2540 10.0569 10.0569 10.1218 10.1218 12.5013 12.5013 13.0297 13.0297 13.6451 13.6451 15.1076 15.1076 k = 0.2333 0.4041 0.5453 ( 4194 PWs) bands (ev): -12.0088 -12.0088 -11.2781 -11.2781 -10.8834 -10.8834 -10.5585 -10.5585 -10.2429 -10.2429 -10.0722 -10.0722 -1.9868 -1.9868 -1.5901 -1.5901 0.2303 0.2303 0.3953 0.3953 0.5703 0.5703 0.8210 0.8210 1.1743 1.1743 1.5922 1.5922 2.0165 2.0165 2.3951 2.3951 2.7762 2.7762 3.5521 3.5521 3.8217 3.8217 3.8790 3.8790 3.9436 3.9436 4.7193 4.7193 5.0208 5.0208 5.2169 5.2169 5.5517 5.5517 5.6680 5.6680 5.8387 5.8387 6.0430 6.0430 6.2541 6.2541 10.0477 10.0477 10.1481 10.1481 12.5333 12.5333 12.9943 12.9943 13.6854 13.6854 15.0820 15.0820 k = 0.2250 0.3897 0.5453 ( 4198 PWs) bands (ev): -12.0398 -12.0398 -11.2436 -11.2436 -10.8716 -10.8716 -10.5768 -10.5768 -10.2330 -10.2330 -10.0719 -10.0719 -2.0006 -2.0006 -1.5595 -1.5595 0.2160 0.2160 0.3826 0.3826 0.5598 0.5598 0.8178 0.8178 1.1715 1.1715 1.6150 1.6150 2.0185 2.0185 2.4267 2.4267 2.7054 2.7054 3.5492 3.5492 3.8244 3.8244 3.8411 3.8411 3.9101 3.9101 4.7289 4.7289 5.0728 5.0728 5.2444 5.2444 5.5395 5.5395 5.6533 5.6533 5.8572 5.8572 6.0579 6.0579 6.2541 6.2541 10.0358 10.0358 10.1771 10.1771 12.5640 12.5640 12.9586 12.9586 13.7275 13.7275 15.0621 15.0621 k = 0.2167 0.3753 0.5453 ( 4198 PWs) bands (ev): -12.0703 -12.0703 -11.2087 -11.2087 -10.8594 -10.8594 -10.5951 -10.5951 -10.2235 -10.2235 -10.0719 -10.0719 -2.0143 -2.0143 -1.5272 -1.5272 0.2030 0.2030 0.3710 0.3710 0.5515 0.5515 0.8144 0.8144 1.1684 1.1684 1.6285 1.6285 2.0183 2.0183 2.4622 2.4622 2.6337 2.6337 3.5386 3.5386 3.7815 3.7815 3.8280 3.8280 3.9092 3.9092 4.7396 4.7396 5.1223 5.1223 5.2708 5.2708 5.5281 5.5281 5.6401 5.6401 5.8762 5.8762 6.0728 6.0728 6.2538 6.2538 10.0213 10.0213 10.2084 10.2084 12.5900 12.5900 12.9259 12.9259 13.7710 13.7710 15.0478 15.0478 k = 0.2083 0.3608 0.5453 ( 4198 PWs) bands (ev): -12.1003 -12.1003 -11.1737 -11.1737 -10.8467 -10.8467 -10.6132 -10.6132 -10.2145 -10.2145 -10.0723 -10.0723 -2.0280 -2.0280 -1.4934 -1.4934 0.1914 0.1914 0.3608 0.3608 0.5452 0.5452 0.8109 0.8109 1.1650 1.1650 1.6331 1.6331 2.0150 2.0150 2.4970 2.4970 2.5655 2.5655 3.5180 3.5180 3.7383 3.7383 3.8012 3.8012 3.9368 3.9368 4.7510 4.7510 5.1684 5.1684 5.2962 5.2962 5.5183 5.5183 5.6287 5.6287 5.8956 5.8956 6.0877 6.0877 6.2533 6.2533 10.0039 10.0039 10.2420 10.2420 12.6054 12.6054 12.9023 12.9023 13.8155 13.8155 15.0393 15.0393 k = 0.2000 0.3464 0.5453 ( 4194 PWs) bands (ev): -12.1297 -12.1297 -11.1386 -11.1386 -10.8338 -10.8338 -10.6310 -10.6310 -10.2059 -10.2059 -10.0731 -10.0731 -2.0416 -2.0416 -1.4581 -1.4581 0.1811 0.1811 0.3519 0.3519 0.5409 0.5409 0.8072 0.8072 1.1614 1.1614 1.6299 1.6299 2.0077 2.0077 2.4768 2.4768 2.5549 2.5549 3.4850 3.4850 3.6999 3.6999 3.7774 3.7774 3.9742 3.9742 4.7629 4.7629 5.2102 5.2102 5.3205 5.3205 5.5106 5.5106 5.6200 5.6200 5.9151 5.9151 6.1024 6.1024 6.2526 6.2526 9.9837 9.9837 10.2776 10.2776 12.6027 12.6027 12.8955 12.8955 13.8606 13.8606 15.0362 15.0362 k = 0.1917 0.3320 0.5453 ( 4198 PWs) bands (ev): -12.1584 -12.1584 -11.1034 -11.1034 -10.8208 -10.8208 -10.6483 -10.6483 -10.1978 -10.1978 -10.0744 -10.0744 -2.0550 -2.0550 -1.4212 -1.4212 0.1722 0.1722 0.3445 0.3445 0.5386 0.5386 0.8034 0.8034 1.1576 1.1576 1.6196 1.6196 1.9956 1.9956 2.4092 2.4092 2.5938 2.5938 3.4399 3.4399 3.6628 3.6628 3.7658 3.7658 4.0153 4.0153 4.7752 4.7752 5.2463 5.2463 5.3437 5.3437 5.5053 5.5053 5.6153 5.6153 5.9348 5.9348 6.1171 6.1171 6.2517 6.2517 9.9606 9.9606 10.3149 10.3149 12.5785 12.5785 12.9091 12.9091 13.9058 13.9058 15.0381 15.0381 k = 0.1833 0.3175 0.5453 ( 4192 PWs) bands (ev): -12.1863 -12.1863 -11.0683 -11.0683 -10.8079 -10.8079 -10.6649 -10.6649 -10.1903 -10.1903 -10.0761 -10.0761 -2.0682 -2.0682 -1.3828 -1.3828 0.1648 0.1648 0.3386 0.3386 0.5382 0.5382 0.7996 0.7996 1.1536 1.1536 1.6033 1.6033 1.9781 1.9781 2.3413 2.3413 2.6351 2.6351 3.3861 3.3861 3.6238 3.6238 3.7693 3.7693 4.0579 4.0579 4.7877 4.7877 5.2758 5.2758 5.3657 5.3657 5.5017 5.5017 5.6166 5.6166 5.9543 5.9543 6.1316 6.1316 6.2505 6.2505 9.9346 9.9346 10.3539 10.3539 12.5368 12.5368 12.9394 12.9394 13.9505 13.9505 15.0444 15.0444 k = 0.1750 0.3031 0.5453 ( 4192 PWs) bands (ev): -12.2135 -12.2135 -11.0333 -11.0333 -10.7956 -10.7956 -10.6803 -10.6803 -10.1835 -10.1835 -10.0784 -10.0784 -2.0813 -2.0813 -1.3429 -1.3429 0.1588 0.1588 0.3342 0.3342 0.5396 0.5396 0.7958 0.7958 1.1496 1.1496 1.5814 1.5814 1.9538 1.9538 2.2773 2.2773 2.6745 2.6745 3.3271 3.3271 3.5826 3.5826 3.7860 3.7860 4.1006 4.1006 4.8001 4.8001 5.2984 5.2984 5.3867 5.3867 5.4981 5.4981 5.6264 5.6264 5.9736 5.9736 6.1460 6.1460 6.2492 6.2492 9.9058 9.9058 10.3941 10.3941 12.4836 12.4836 12.9805 12.9805 13.9942 13.9942 15.0541 15.0541 k = 0.1667 0.2887 0.5453 ( 4188 PWs) bands (ev): -12.2397 -12.2397 -10.9986 -10.9986 -10.7846 -10.7846 -10.6936 -10.6936 -10.1772 -10.1772 -10.0811 -10.0811 -2.0940 -2.0940 -1.3016 -1.3016 0.1543 0.1543 0.3312 0.3312 0.5429 0.5429 0.7921 0.7921 1.1454 1.1454 1.5547 1.5547 1.9216 1.9216 2.2197 2.2197 2.7104 2.7104 3.2660 3.2660 3.5403 3.5403 3.8136 3.8136 4.1421 4.1421 4.8125 4.8125 5.3148 5.3148 5.4067 5.4067 5.4928 5.4928 5.6458 5.6458 5.9924 5.9924 6.1602 6.1602 6.2478 6.2478 9.8743 9.8743 10.4354 10.4354 12.4235 12.4235 13.0282 13.0282 14.0362 14.0362 15.0650 15.0650 k = 0.1583 0.2742 0.5453 ( 4192 PWs) bands (ev): -12.2649 -12.2649 -10.9642 -10.9642 -10.7767 -10.7767 -10.7032 -10.7032 -10.1717 -10.1717 -10.0843 -10.0843 -2.1065 -2.1065 -1.2590 -1.2590 0.1513 0.1513 0.3296 0.3296 0.5480 0.5480 0.7884 0.7884 1.1411 1.1411 1.5236 1.5236 1.8807 1.8807 2.1697 2.1697 2.7414 2.7414 3.2049 3.2049 3.4976 3.4976 3.8500 3.8500 4.1816 4.1816 4.8247 4.8247 5.3272 5.3272 5.4256 5.4256 5.4851 5.4851 5.6739 5.6739 6.0107 6.0107 6.1741 6.1741 6.2462 6.2462 9.8402 9.8402 10.4775 10.4775 12.3592 12.3592 13.0801 13.0801 14.0756 14.0756 15.0732 15.0733 k = 0.1500 0.2598 0.5453 ( 4192 PWs) bands (ev): -12.2892 -12.2892 -10.9302 -10.9302 -10.7745 -10.7745 -10.7064 -10.7064 -10.1668 -10.1668 -10.0880 -10.0880 -2.1187 -2.1187 -1.2151 -1.2151 0.1499 0.1499 0.3291 0.3291 0.5547 0.5547 0.7850 0.7850 1.1368 1.1368 1.4887 1.4887 1.8313 1.8313 2.1278 2.1278 2.7662 2.7662 3.1460 3.1460 3.4553 3.4553 3.8939 3.8939 4.2184 4.2184 4.8365 4.8365 5.3375 5.3375 5.4433 5.4433 5.4755 5.4755 5.7085 5.7085 6.0283 6.0283 6.1878 6.1878 6.2447 6.2447 9.8036 9.8036 10.5202 10.5202 12.2925 12.2925 13.1348 13.1348 14.1117 14.1117 15.0720 15.0722 k = 0.1417 0.2454 0.5453 ( 4196 PWs) bands (ev): -12.3124 -12.3124 -10.8968 -10.8968 -10.7789 -10.7789 -10.7023 -10.7023 -10.1627 -10.1627 -10.0922 -10.0922 -2.1305 -2.1305 -1.1701 -1.1701 0.1501 0.1501 0.3297 0.3297 0.5632 0.5632 0.7817 0.7817 1.1324 1.1324 1.4505 1.4505 1.7752 1.7752 2.0925 2.0925 2.7828 2.7828 3.0919 3.0919 3.4138 3.4138 3.9438 3.9438 4.2517 4.2517 4.8479 4.8479 5.3473 5.3473 5.4574 5.4574 5.4670 5.4670 5.7476 5.7476 6.0451 6.0451 6.2009 6.2009 6.2434 6.2434 9.7648 9.7648 10.5631 10.5631 12.2245 12.2245 13.1911 13.1911 14.1434 14.1434 15.0601 15.0601 k = 0.1333 0.2309 0.5453 ( 4200 PWs) bands (ev): -12.3345 -12.3345 -10.8642 -10.8642 -10.7877 -10.7877 -10.6929 -10.6929 -10.1594 -10.1594 -10.0968 -10.0968 -2.1418 -2.1418 -1.1241 -1.1241 0.1519 0.1519 0.3311 0.3311 0.5731 0.5731 0.7787 0.7787 1.1279 1.1279 1.4095 1.4095 1.7144 1.7144 2.0623 2.0623 2.7881 2.7881 3.0465 3.0465 3.3735 3.3735 3.9986 3.9986 4.2812 4.2812 4.8588 4.8588 5.3575 5.3575 5.4503 5.4503 5.4781 5.4781 5.7895 5.7895 6.0611 6.0611 6.2131 6.2131 6.2426 6.2426 9.7242 9.7242 10.6061 10.6061 12.1562 12.1562 13.2483 13.2483 14.1699 14.1699 15.0444 15.0444 k = 0.1250 0.2165 0.5453 ( 4196 PWs) bands (ev): -12.3554 -12.3554 -10.8329 -10.8329 -10.7981 -10.7981 -10.6808 -10.6808 -10.1568 -10.1568 -10.1019 -10.1019 -2.1528 -2.1528 -1.0771 -1.0771 0.1552 0.1552 0.3332 0.3332 0.5845 0.5845 0.7761 0.7761 1.1234 1.1234 1.3664 1.3664 1.6512 1.6512 2.0353 2.0353 2.7784 2.7784 3.0143 3.0143 3.3349 3.3349 4.0570 4.0570 4.3069 4.3069 4.8692 4.8692 5.3676 5.3676 5.4390 5.4390 5.4930 5.4930 5.8331 5.8331 6.0762 6.0762 6.2230 6.2230 6.2439 6.2439 9.6819 9.6819 10.6487 10.6487 12.0885 12.0885 13.3058 13.3058 14.1905 14.1905 15.0311 15.0311 k = 0.1167 0.2021 0.5453 ( 4188 PWs) bands (ev): -12.3752 -12.3752 -10.8144 -10.8144 -10.7972 -10.7972 -10.6674 -10.6674 -10.1550 -10.1550 -10.1073 -10.1073 -2.1632 -2.1632 -1.0294 -1.0294 0.1602 0.1602 0.3356 0.3356 0.5973 0.5973 0.7740 0.7740 1.1187 1.1187 1.3218 1.3218 1.5872 1.5872 2.0103 2.0103 2.7526 2.7526 2.9970 2.9970 3.2981 3.2981 4.1178 4.1178 4.3291 4.3291 4.8790 4.8790 5.3750 5.3750 5.4309 5.4309 5.5072 5.5072 5.8777 5.8777 6.0902 6.0902 6.2282 6.2282 6.2497 6.2497 9.6384 9.6384 10.6908 10.6908 12.0219 12.0219 13.3629 13.3629 14.2048 14.2048 15.0233 15.0233 k = 0.1083 0.1876 0.5453 ( 4184 PWs) bands (ev): -12.3937 -12.3937 -10.8238 -10.8238 -10.7694 -10.7694 -10.6534 -10.6534 -10.1540 -10.1540 -10.1131 -10.1131 -2.1732 -2.1732 -0.9812 -0.9812 0.1667 0.1667 0.3380 0.3380 0.6112 0.6112 0.7723 0.7723 1.1137 1.1137 1.2764 1.2764 1.5235 1.5235 1.9864 1.9864 2.7146 2.7146 2.9917 2.9917 3.2635 3.2635 4.1792 4.1792 4.3485 4.3485 4.8882 4.8882 5.3735 5.3735 5.4321 5.4321 5.5205 5.5205 5.9225 5.9225 6.1033 6.1033 6.2292 6.2292 6.2593 6.2593 9.5942 9.5942 10.7320 10.7320 11.9570 11.9570 13.4189 13.4189 14.2130 14.2130 15.0221 15.0221 k = 0.1000 0.1732 0.5453 ( 4188 PWs) bands (ev): -12.4110 -12.4110 -10.8348 -10.8348 -10.7409 -10.7409 -10.6391 -10.6391 -10.1537 -10.1537 -10.1192 -10.1192 -2.1826 -2.1826 -0.9327 -0.9327 0.1745 0.1745 0.3402 0.3402 0.6260 0.6260 0.7710 0.7710 1.1077 1.1077 1.2314 1.2314 1.4611 1.4611 1.9631 1.9631 2.6698 2.6698 2.9935 2.9935 3.2312 3.2312 4.2384 4.2384 4.3676 4.3676 4.8968 4.8968 5.3619 5.3619 5.4436 5.4436 5.5330 5.5330 5.9668 5.9668 6.1153 6.1153 6.2289 6.2289 6.2701 6.2701 9.5496 9.5496 10.7719 10.7719 11.8946 11.8946 13.4730 13.4730 14.2160 14.2160 15.0276 15.0276 k = 0.0917 0.1588 0.5453 ( 4196 PWs) bands (ev): -12.4270 -12.4270 -10.8455 -10.8455 -10.7134 -10.7134 -10.6249 -10.6249 -10.1542 -10.1542 -10.1255 -10.1255 -2.1913 -2.1913 -0.8842 -0.8842 0.1837 0.1837 0.3418 0.3418 0.6417 0.6417 0.7704 0.7704 1.0995 1.0995 1.1885 1.1885 1.4008 1.4008 1.9402 1.9402 2.6226 2.6226 2.9986 2.9986 3.2014 3.2014 4.2896 4.2896 4.3919 4.3919 4.9048 4.9048 5.3445 5.3445 5.4605 5.4605 5.5445 5.5445 6.0101 6.0101 6.1262 6.1262 6.2285 6.2285 6.2809 6.2809 9.5051 9.5051 10.8104 10.8104 11.8350 11.8350 13.5245 13.5245 14.2150 14.2150 15.0390 15.0390 k = 0.0833 0.1443 0.5453 ( 4188 PWs) bands (ev): -12.4418 -12.4418 -10.8555 -10.8555 -10.6875 -10.6875 -10.6108 -10.6108 -10.1553 -10.1553 -10.1319 -10.1319 -2.1995 -2.1995 -0.8361 -0.8361 0.1941 0.1941 0.3426 0.3426 0.6580 0.6580 0.7704 0.7704 1.0857 1.0857 1.1518 1.1518 1.3434 1.3434 1.9176 1.9176 2.5756 2.5756 3.0051 3.0051 3.1742 3.1742 4.3237 4.3237 4.4303 4.4303 4.9121 4.9121 5.3238 5.3238 5.4795 5.4795 5.5552 5.5552 6.0514 6.0514 6.1362 6.1362 6.2290 6.2290 6.2913 6.2913 9.4615 9.4615 10.8470 10.8470 11.7787 11.7787 13.5723 13.5723 14.2117 14.2117 15.0551 15.0551 k = 0.0750 0.1299 0.5453 ( 4186 PWs) bands (ev): -12.4551 -12.4551 -10.8647 -10.8647 -10.6633 -10.6633 -10.5970 -10.5970 -10.1570 -10.1570 -10.1382 -10.1382 -2.2070 -2.2070 -0.7887 -0.7887 0.2054 0.2054 0.3422 0.3422 0.6745 0.6745 0.7711 0.7711 1.0607 1.0607 1.1270 1.1270 1.2897 1.2897 1.8956 1.8956 2.5303 2.5303 3.0121 3.0121 3.1496 3.1496 4.3406 4.3406 4.4829 4.4829 4.9187 4.9187 5.3008 5.3008 5.4992 5.4992 5.5649 5.5649 6.0894 6.0894 6.1451 6.1451 6.2310 6.2310 6.3011 6.3011 9.4191 9.4191 10.8814 10.8814 11.7263 11.7263 13.6155 13.6155 14.2081 14.2081 15.0745 15.0745 k = 0.0667 0.1155 0.5453 ( 4182 PWs) bands (ev): -12.4672 -12.4672 -10.8732 -10.8732 -10.6411 -10.6411 -10.5835 -10.5835 -10.1594 -10.1594 -10.1444 -10.1444 -2.2138 -2.2138 -0.7426 -0.7426 0.2174 0.2174 0.3405 0.3405 0.6910 0.6910 0.7728 0.7728 1.0264 1.0264 1.1123 1.1123 1.2408 1.2408 1.8742 1.8742 2.4876 2.4876 3.0189 3.0189 3.1278 3.1278 4.3482 4.3482 4.5418 4.5418 4.9246 4.9246 5.2756 5.2756 5.5186 5.5186 5.5737 5.5737 6.1223 6.1223 6.1531 6.1531 6.2362 6.2362 6.3102 6.3102 9.3787 9.3787 10.9134 10.9134 11.6782 11.6782 13.6532 13.6532 14.2057 14.2057 15.0956 15.0956 k = 0.0583 0.1010 0.5453 ( 4186 PWs) bands (ev): -12.4778 -12.4778 -10.8807 -10.8807 -10.6211 -10.6211 -10.5706 -10.5706 -10.1622 -10.1622 -10.1503 -10.1503 -2.2199 -2.2199 -0.6985 -0.6985 0.2296 0.2296 0.3374 0.3374 0.7069 0.7069 0.7756 0.7756 0.9894 0.9894 1.0997 1.0997 1.1990 1.1990 1.8539 1.8539 2.4485 2.4485 3.0252 3.0252 3.1087 3.1087 4.3513 4.3513 4.6023 4.6023 4.9299 4.9299 5.2483 5.2483 5.5368 5.5368 5.5816 5.5816 6.1475 6.1475 6.1603 6.1603 6.2462 6.2462 6.3185 6.3185 9.3409 9.3409 10.9425 10.9425 11.6347 11.6347 13.6845 13.6845 14.2058 14.2058 15.1171 15.1171 k = 0.0500 0.0866 0.5453 ( 4200 PWs) bands (ev): -12.4871 -12.4871 -10.8873 -10.8873 -10.6037 -10.6037 -10.5582 -10.5582 -10.1654 -10.1654 -10.1557 -10.1557 -2.2252 -2.2252 -0.6570 -0.6570 0.2414 0.2414 0.3331 0.3331 0.7217 0.7217 0.7800 0.7800 0.9534 0.9534 1.0833 1.0833 1.1675 1.1675 1.8349 1.8349 2.4134 2.4134 3.0309 3.0309 3.0922 3.0922 4.3521 4.3521 4.6623 4.6623 4.9344 4.9344 5.2188 5.2188 5.5534 5.5534 5.5886 5.5886 6.1628 6.1628 6.1674 6.1674 6.2620 6.2620 6.3260 6.3260 9.3064 9.3064 10.9685 10.9685 11.5962 11.5962 13.7092 13.7092 14.2091 14.2091 15.1377 15.1377 k = 0.0417 0.0722 0.5453 ( 4200 PWs) bands (ev): -12.4949 -12.4949 -10.8929 -10.8929 -10.5890 -10.5890 -10.5467 -10.5467 -10.1689 -10.1689 -10.1603 -10.1603 -2.2298 -2.2298 -0.6192 -0.6192 0.2523 0.2523 0.3282 0.3282 0.7349 0.7349 0.7865 0.7865 0.9198 0.9198 1.0606 1.0606 1.1483 1.1483 1.8177 1.8177 2.3828 2.3828 3.0358 3.0358 3.0784 3.0784 4.3517 4.3517 4.7208 4.7208 4.9383 4.9383 5.1873 5.1873 5.5679 5.5679 5.5948 5.5948 6.1698 6.1698 6.1743 6.1743 6.2814 6.2814 6.3326 6.3326 9.2759 9.2759 10.9910 10.9910 11.5630 11.5630 13.7274 13.7274 14.2155 14.2155 15.1564 15.1564 k = 0.0333 0.0577 0.5453 ( 4216 PWs) bands (ev): -12.5014 -12.5014 -10.8975 -10.8975 -10.5771 -10.5771 -10.5365 -10.5365 -10.1724 -10.1724 -10.1642 -10.1642 -2.2336 -2.2336 -0.5859 -0.5859 0.2613 0.2613 0.3235 0.3235 0.7462 0.7462 0.7950 0.7950 0.8892 0.8892 1.0345 1.0345 1.1383 1.1383 1.8029 1.8029 2.3572 2.3572 3.0400 3.0400 3.0672 3.0672 4.3507 4.3507 4.7771 4.7771 4.9414 4.9414 5.1536 5.1536 5.5797 5.5797 5.6003 5.6003 6.1741 6.1741 6.1785 6.1785 6.3005 6.3005 6.3385 6.3385 9.2499 9.2499 11.0099 11.0099 11.5355 11.5355 13.7400 13.7400 14.2238 14.2238 15.1723 15.1723 k = 0.0250 0.0433 0.5453 ( 4216 PWs) bands (ev): -12.5064 -12.5064 -10.9011 -10.9011 -10.5680 -10.5680 -10.5278 -10.5278 -10.1755 -10.1755 -10.1672 -10.1672 -2.2365 -2.2365 -0.5583 -0.5583 0.2674 0.2674 0.3202 0.3202 0.7564 0.7564 0.8049 0.8049 0.8622 0.8622 1.0097 1.0097 1.1332 1.1332 1.7908 1.7908 2.3369 2.3369 3.0432 3.0432 3.0585 3.0585 4.3496 4.3496 4.8308 4.8308 4.9439 4.9439 5.1180 5.1180 5.5886 5.5886 5.6051 5.6051 6.1773 6.1773 6.1807 6.1807 6.3166 6.3166 6.3441 6.3441 9.2290 9.2290 11.0248 11.0248 11.5139 11.5139 13.7480 13.7480 14.2327 14.2327 15.1849 15.1849 k = 0.0167 0.0289 0.5453 ( 4224 PWs) bands (ev): -12.5100 -12.5100 -10.9037 -10.9037 -10.5615 -10.5615 -10.5212 -10.5212 -10.1781 -10.1781 -10.1694 -10.1694 -2.2386 -2.2386 -0.5375 -0.5375 0.2704 0.2704 0.3188 0.3188 0.7663 0.7663 0.8144 0.8144 0.8390 0.8390 0.9894 0.9894 1.1306 1.1306 1.7818 1.7818 2.3223 2.3223 3.0456 3.0456 3.0524 3.0524 4.3485 4.3485 4.8808 4.8808 4.9457 4.9457 5.0811 5.0811 5.5945 5.5945 5.6092 5.6092 6.1793 6.1793 6.1818 6.1818 6.3277 6.3277 6.3493 6.3493 9.2137 9.2137 11.0356 11.0356 11.4983 11.4983 13.7527 13.7527 14.2404 14.2404 15.1939 15.1939 k = 0.0083 0.0144 0.5453 ( 4224 PWs) bands (ev): -12.5122 -12.5122 -10.9053 -10.9053 -10.5577 -10.5577 -10.5171 -10.5171 -10.1797 -10.1797 -10.1707 -10.1707 -2.2399 -2.2399 -0.5246 -0.5246 0.2712 0.2712 0.3187 0.3187 0.7761 0.7761 0.8192 0.8192 0.8232 0.8232 0.9759 0.9759 1.1294 1.1294 1.7762 1.7762 2.3134 2.3134 3.0470 3.0470 3.0487 3.0487 4.3479 4.3479 4.9241 4.9241 4.9469 4.9469 5.0455 5.0455 5.5977 5.5977 5.6120 5.6120 6.1804 6.1804 6.1825 6.1825 6.3336 6.3336 6.3535 6.3535 9.2043 9.2043 11.0422 11.0422 11.4888 11.4888 13.7551 13.7551 14.2458 14.2458 15.1993 15.1993 k = 0.0000 0.0000 0.5453 ( 4232 PWs) bands (ev): -12.5129 -12.5129 -10.9058 -10.9058 -10.5564 -10.5564 -10.5157 -10.5157 -10.1802 -10.1802 -10.1712 -10.1712 -2.2403 -2.2403 -0.5202 -0.5202 0.2713 0.2713 0.3189 0.3189 0.7817 0.7817 0.8117 0.8117 0.8248 0.8248 0.9711 0.9711 1.1289 1.1289 1.7743 1.7743 2.3104 2.3104 3.0474 3.0474 3.0476 3.0476 4.3476 4.3476 4.9442 4.9442 4.9498 4.9498 5.0255 5.0255 5.5987 5.5987 5.6130 5.6130 6.1806 6.1806 6.1828 6.1828 6.3353 6.3353 6.3552 6.3552 9.2012 9.2012 11.0444 11.0444 11.4857 11.4857 13.7558 13.7558 14.2476 14.2476 15.2011 15.2011 k = 0.5000 0.2887 0.5453 ( 4204 PWs) bands (ev): -11.9162 -11.9162 -11.4311 -11.4311 -10.8489 -10.8489 -10.4952 -10.4952 -10.2891 -10.2891 -10.0740 -10.0740 -1.8750 -1.8750 -1.7178 -1.7178 -0.2041 -0.2041 0.3539 0.3539 0.7926 0.7926 1.1648 1.1648 1.3813 1.3813 1.6209 1.6209 1.9497 1.9497 2.5076 2.5076 2.7652 2.7652 3.3694 3.3694 3.5805 3.5805 3.6929 3.6929 4.5268 4.5268 4.6019 4.6019 4.8721 4.8721 5.1716 5.1716 5.6416 5.6416 5.6827 5.6827 5.7492 5.7492 5.9498 5.9498 6.2849 6.2849 9.8815 9.8815 10.3468 10.3468 12.4766 12.4766 13.2660 13.2660 14.0817 14.0817 14.2167 14.2167 k = 0.5000 0.2887 0.5288 ( 4204 PWs) bands (ev): -11.9164 -11.9164 -11.4315 -11.4315 -10.8490 -10.8490 -10.4949 -10.4949 -10.2884 -10.2884 -10.0740 -10.0740 -1.8756 -1.8756 -1.7168 -1.7168 -0.2030 -0.2030 0.3551 0.3551 0.7925 0.7925 1.1642 1.1642 1.3800 1.3800 1.6182 1.6182 1.9515 1.9515 2.5050 2.5050 2.7698 2.7698 3.3605 3.3605 3.5808 3.5808 3.7007 3.7007 4.5149 4.5149 4.6016 4.6016 4.8818 4.8818 5.1731 5.1731 5.6268 5.6268 5.6973 5.6973 5.7506 5.7506 5.9477 5.9477 6.2857 6.2857 9.8817 9.8817 10.3460 10.3460 12.4775 12.4775 13.2670 13.2670 14.0687 14.0687 14.2299 14.2299 k = 0.5000 0.2887 0.5123 ( 4200 PWs) bands (ev): -11.9171 -11.9171 -11.4330 -11.4330 -10.8490 -10.8490 -10.4941 -10.4941 -10.2866 -10.2866 -10.0741 -10.0741 -1.8773 -1.8773 -1.7137 -1.7137 -0.1997 -0.1997 0.3587 0.3587 0.7920 0.7920 1.1625 1.1625 1.3764 1.3764 1.6103 1.6103 1.9566 1.9566 2.4979 2.4979 2.7832 2.7832 3.3359 3.3359 3.5817 3.5817 3.7220 3.7220 4.4823 4.4823 4.6012 4.6012 4.9073 4.9073 5.1776 5.1776 5.6014 5.6014 5.7210 5.7210 5.7557 5.7557 5.9418 5.9418 6.2879 6.2879 9.8825 9.8825 10.3436 10.3436 12.4800 12.4800 13.2701 13.2701 14.0385 14.0385 14.2604 14.2604 k = 0.5000 0.2887 0.4957 ( 4208 PWs) bands (ev): -11.9181 -11.9181 -11.4353 -11.4353 -10.8491 -10.8491 -10.4929 -10.4929 -10.2836 -10.2836 -10.0743 -10.0743 -1.8801 -1.8801 -1.7086 -1.7086 -0.1942 -0.1942 0.3647 0.3647 0.7912 0.7912 1.1595 1.1595 1.3703 1.3703 1.5976 1.5976 1.9648 1.9648 2.4874 2.4874 2.8041 2.8041 3.3007 3.3007 3.5829 3.5829 3.7519 3.7519 4.4354 4.4354 4.6010 4.6010 4.9419 4.9419 5.1849 5.1849 5.5751 5.5751 5.7403 5.7403 5.7686 5.7686 5.9323 5.9323 6.2912 6.2912 9.8838 9.8838 10.3396 10.3396 12.4842 12.4842 13.2751 13.2751 14.0016 14.0016 14.2979 14.2979 k = 0.5000 0.2887 0.4792 ( 4196 PWs) bands (ev): -11.9196 -11.9196 -11.4385 -11.4385 -10.8493 -10.8493 -10.4911 -10.4911 -10.2794 -10.2794 -10.0745 -10.0745 -1.8839 -1.8839 -1.7014 -1.7014 -0.1865 -0.1865 0.3730 0.3730 0.7903 0.7903 1.1555 1.1555 1.3622 1.3622 1.5807 1.5807 1.9755 1.9755 2.4746 2.4746 2.8309 2.8309 3.2590 3.2590 3.5842 3.5842 3.7865 3.7865 4.3800 4.3800 4.6010 4.6010 4.9801 4.9801 5.1945 5.1945 5.5498 5.5498 5.7512 5.7512 5.7915 5.7915 5.9196 5.9196 6.2953 6.2953 9.8859 9.8859 10.3340 10.3340 12.4899 12.4899 13.2820 13.2820 13.9623 13.9623 14.3383 14.3383 k = 0.5000 0.2887 0.4627 ( 4196 PWs) bands (ev): -11.9215 -11.9215 -11.4425 -11.4425 -10.8494 -10.8494 -10.4889 -10.4889 -10.2742 -10.2742 -10.0748 -10.0748 -1.8888 -1.8888 -1.6922 -1.6922 -0.1767 -0.1767 0.3835 0.3835 0.7890 0.7890 1.1503 1.1503 1.3520 1.3520 1.5601 1.5601 1.9883 1.9883 2.4605 2.4605 2.8624 2.8624 3.2137 3.2137 3.5852 3.5852 3.8231 3.8231 4.3198 4.3198 4.6008 4.6008 5.0188 5.0188 5.2059 5.2059 5.5265 5.5265 5.7588 5.7588 5.8184 5.8184 5.9046 5.9046 6.2998 6.2998 9.8888 9.8888 10.3270 10.3270 12.4970 12.4970 13.2907 13.2907 13.9222 13.9222 14.3800 14.3800 k = 0.5000 0.2887 0.4462 ( 4204 PWs) bands (ev): -11.9237 -11.9237 -11.4473 -11.4473 -10.8497 -10.8497 -10.4862 -10.4862 -10.2679 -10.2679 -10.0751 -10.0751 -1.8947 -1.8947 -1.6811 -1.6811 -0.1648 -0.1648 0.3960 0.3960 0.7874 0.7874 1.1439 1.1439 1.3401 1.3401 1.5365 1.5365 2.0026 2.0026 2.4457 2.4457 2.8972 2.8972 3.1669 3.1669 3.5855 3.5855 3.8601 3.8601 4.2577 4.2577 4.6002 4.6002 5.0565 5.0565 5.2180 5.2180 5.5067 5.5067 5.7655 5.7655 5.8459 5.8459 5.8879 5.8879 6.3041 6.3041 9.8926 9.8926 10.3185 10.3185 12.5054 12.5054 13.3009 13.3009 13.8821 13.8821 14.4223 14.4223 k = 0.5000 0.2887 0.4296 ( 4204 PWs) bands (ev): -11.9263 -11.9263 -11.4528 -11.4528 -10.8499 -10.8499 -10.4832 -10.4832 -10.2607 -10.2607 -10.0755 -10.0755 -1.9014 -1.9014 -1.6680 -1.6680 -0.1509 -0.1509 0.4103 0.4103 0.7858 0.7858 1.1364 1.1364 1.3266 1.3266 1.5103 1.5103 2.0181 2.0181 2.4306 2.4306 2.9339 2.9339 3.1202 3.1202 3.5843 3.5843 3.8964 3.8964 4.1956 4.1956 4.5988 4.5988 5.0922 5.0922 5.2289 5.2289 5.4920 5.4920 5.7713 5.7713 5.8668 5.8668 5.8772 5.8772 6.3081 6.3081 9.8976 9.8976 10.3086 10.3086 12.5150 12.5150 13.3124 13.3124 13.8427 13.8427 14.4650 14.4650 k = 0.5000 0.2887 0.4131 ( 4204 PWs) bands (ev): -11.9292 -11.9292 -11.4590 -11.4590 -10.8502 -10.8502 -10.4797 -10.4797 -10.2526 -10.2526 -10.0760 -10.0760 -1.9090 -1.9090 -1.6529 -1.6529 -0.1351 -0.1351 0.4263 0.4263 0.7841 0.7841 1.1277 1.1277 1.3118 1.3118 1.4824 1.4824 2.0344 2.0344 2.4154 2.4154 2.9695 2.9695 3.0768 3.0768 3.5805 3.5805 3.9314 3.9314 4.1360 4.1360 4.5965 4.5965 5.1253 5.1253 5.2365 5.2365 5.4848 5.4848 5.7747 5.7747 5.8525 5.8525 5.9022 5.9022 6.3113 6.3113 9.9038 9.9038 10.2975 10.2975 12.5256 12.5256 13.3249 13.3249 13.8044 13.8044 14.5078 14.5078 k = 0.5000 0.2887 0.3966 ( 4208 PWs) bands (ev): -11.9324 -11.9324 -11.4657 -11.4657 -10.8505 -10.8505 -10.4759 -10.4759 -10.2438 -10.2438 -10.0764 -10.0764 -1.9173 -1.9173 -1.6360 -1.6360 -0.1175 -0.1175 0.4436 0.4436 0.7824 0.7824 1.1179 1.1179 1.2957 1.2957 1.4532 1.4532 2.0512 2.0512 2.4002 2.4002 2.9875 2.9875 3.0528 3.0528 3.5731 3.5731 3.9638 3.9638 4.0818 4.0818 4.5932 4.5932 5.1558 5.1558 5.2386 5.2386 5.4869 5.4869 5.7733 5.7733 5.8395 5.8395 5.9289 5.9289 6.3134 6.3134 9.9116 9.9116 10.2852 10.2852 12.5369 12.5369 13.3378 13.3378 13.7677 13.7677 14.5506 14.5506 k = 0.5000 0.2887 0.3801 ( 4200 PWs) bands (ev): -11.9359 -11.9359 -11.4729 -11.4729 -10.8508 -10.8508 -10.4718 -10.4718 -10.2343 -10.2343 -10.0769 -10.0769 -1.9261 -1.9261 -1.6171 -1.6171 -0.0980 -0.0980 0.4619 0.4619 0.7809 0.7809 1.1072 1.1072 1.2782 1.2782 1.4236 1.4236 2.0681 2.0681 2.3853 2.3853 2.9607 2.9607 3.0747 3.0747 3.5604 3.5604 3.9877 3.9877 4.0415 4.0415 4.5887 4.5887 5.1834 5.1834 5.2342 5.2342 5.4993 5.4993 5.7645 5.7645 5.8324 5.8324 5.9551 5.9551 6.3143 6.3143 9.9210 9.9210 10.2718 10.2718 12.5489 12.5489 13.3504 13.3504 13.7335 13.7335 14.5933 14.5933 k = 0.5000 0.2887 0.3635 ( 4204 PWs) bands (ev): -11.9396 -11.9396 -11.4804 -11.4804 -10.8512 -10.8512 -10.4674 -10.4674 -10.2244 -10.2244 -10.0774 -10.0774 -1.9355 -1.9355 -1.5965 -1.5965 -0.0770 -0.0770 0.4807 0.4807 0.7796 0.7796 1.0955 1.0955 1.2592 1.2592 1.3944 1.3944 2.0846 2.0846 2.3708 2.3708 2.9198 2.9198 3.1109 3.1109 3.5418 3.5418 3.9767 3.9767 4.0437 4.0437 4.5831 4.5831 5.2080 5.2080 5.2242 5.2242 5.5210 5.5210 5.7491 5.7491 5.8306 5.8306 5.9805 5.9805 6.3137 6.3137 9.9322 9.9322 10.2574 10.2574 12.5613 12.5613 13.3617 13.3617 13.7028 13.7028 14.6359 14.6359 k = 0.5000 0.2887 0.3470 ( 4212 PWs) bands (ev): -11.9435 -11.9435 -11.4883 -11.4883 -10.8516 -10.8516 -10.4628 -10.4628 -10.2140 -10.2140 -10.0779 -10.0779 -1.9454 -1.9454 -1.5742 -1.5742 -0.0546 -0.0546 0.4994 0.4994 0.7788 0.7788 1.0831 1.0831 1.2383 1.2383 1.3667 1.3667 2.1004 2.1004 2.3570 2.3570 2.8778 2.8778 3.1458 3.1458 3.5182 3.5182 3.9517 3.9517 4.0691 4.0691 4.5762 4.5762 5.2083 5.2083 5.2314 5.2314 5.5500 5.5500 5.7303 5.7303 5.8311 5.8311 6.0052 6.0052 6.3115 6.3115 9.9452 9.9452 10.2422 10.2422 12.5741 12.5741 13.3702 13.3702 13.6768 13.6768 14.6782 14.6782 k = 0.5000 0.2887 0.3305 ( 4206 PWs) bands (ev): -11.9475 -11.9475 -11.4964 -11.4964 -10.8520 -10.8520 -10.4580 -10.4580 -10.2034 -10.2034 -10.0784 -10.0784 -1.9555 -1.9555 -1.5502 -1.5502 -0.0308 -0.0308 0.5175 0.5175 0.7787 0.7787 1.0702 1.0702 1.2155 1.2155 1.3415 1.3415 2.1148 2.1148 2.3443 2.3443 2.8369 2.8369 3.1729 3.1729 3.4940 3.4940 3.9341 3.9341 4.0964 4.0964 4.5682 4.5682 5.1911 5.1911 5.2508 5.2508 5.5841 5.5841 5.7105 5.7105 5.8316 5.8316 6.0290 6.0290 6.3077 6.3077 9.9601 9.9601 10.2263 10.2263 12.5872 12.5872 13.3741 13.3741 13.6574 13.6574 14.7200 14.7200 k = 0.5000 0.2887 0.3140 ( 4202 PWs) bands (ev): -11.9516 -11.9516 -11.5046 -11.5046 -10.8524 -10.8524 -10.4531 -10.4531 -10.1926 -10.1926 -10.0787 -10.0787 -1.9659 -1.9659 -1.5246 -1.5246 -0.0059 -0.0059 0.5338 0.5338 0.7796 0.7796 1.0569 1.0569 1.1909 1.1909 1.3193 1.3193 2.1268 2.1268 2.3334 2.3334 2.7978 2.7978 3.1844 3.1844 3.4775 3.4775 3.9253 3.9253 4.1230 4.1230 4.5592 4.5592 5.1721 5.1721 5.2677 5.2677 5.6214 5.6214 5.6917 5.6917 5.8310 5.8310 6.0519 6.0519 6.3021 6.3021 9.9769 9.9769 10.2099 10.2099 12.6003 12.6003 13.3718 13.3718 13.6462 13.6462 14.7613 14.7613 k = 0.5000 0.2887 0.2974 ( 4186 PWs) bands (ev): -11.9558 -11.9558 -11.5129 -11.5129 -10.8528 -10.8528 -10.4481 -10.4481 -10.1817 -10.1817 -10.0791 -10.0791 -1.9764 -1.9764 -1.4976 -1.4976 0.0198 0.0198 0.5475 0.5475 0.7819 0.7819 1.0438 1.0438 1.1652 1.1652 1.3005 1.3005 2.1356 2.1356 2.3251 2.3251 2.7608 2.7608 3.1726 3.1726 3.4778 3.4778 3.9242 3.9242 4.1485 4.1485 4.5494 4.5494 5.1525 5.1525 5.2820 5.2820 5.6547 5.6547 5.6806 5.6806 5.8286 5.8286 6.0738 6.0738 6.2947 6.2947 9.9956 9.9956 10.1930 10.1930 12.6134 12.6134 13.3623 13.3623 13.6440 13.6440 14.8015 14.8015 k = 0.5000 0.2887 0.2809 ( 4186 PWs) bands (ev): -11.9600 -11.9600 -11.5211 -11.5211 -10.8533 -10.8533 -10.4430 -10.4430 -10.1710 -10.1710 -10.0792 -10.0792 -1.9869 -1.9869 -1.4692 -1.4692 0.0461 0.0461 0.5571 0.5571 0.7855 0.7855 1.0310 1.0310 1.1398 1.1398 1.2846 1.2846 2.1399 2.1399 2.3203 2.3203 2.7261 2.7261 3.1376 3.1376 3.4965 3.4965 3.9291 3.9291 4.1726 4.1726 4.5389 4.5389 5.1327 5.1327 5.2935 5.2935 5.6513 5.6513 5.7096 5.7096 5.8241 5.8241 6.0948 6.0948 6.2855 6.2855 10.0160 10.0160 10.1758 10.1758 12.6265 12.6265 13.3460 13.3460 13.6502 13.6502 14.8401 14.8401 k = 0.5000 0.2887 0.2644 ( 4194 PWs) bands (ev): -11.9642 -11.9642 -11.5293 -11.5293 -10.8537 -10.8537 -10.4380 -10.4380 -10.1606 -10.1606 -10.0792 -10.0792 -1.9974 -1.9974 -1.4395 -1.4395 0.0727 0.0727 0.5616 0.5616 0.7904 0.7904 1.0192 1.0192 1.1161 1.1161 1.2714 1.2714 2.1390 2.1390 2.3195 2.3195 2.6939 2.6939 3.0864 3.0864 3.5277 3.5277 3.9386 3.9386 4.1952 4.1952 4.5280 4.5280 5.1132 5.1132 5.3020 5.3020 5.6387 5.6387 5.7509 5.7509 5.8174 5.8174 6.1147 6.1147 6.2746 6.2746 10.0380 10.0380 10.1584 10.1584 12.6395 12.6395 13.3244 13.3244 13.6632 13.6632 14.8760 14.8760 k = 0.5000 0.2887 0.2479 ( 4198 PWs) bands (ev): -11.9684 -11.9684 -11.5373 -11.5373 -10.8541 -10.8541 -10.4330 -10.4330 -10.1506 -10.1506 -10.0789 -10.0789 -2.0077 -2.0077 -1.4088 -1.4088 0.0993 0.0993 0.5602 0.5602 0.7963 0.7963 1.0092 1.0092 1.0956 1.0956 1.2604 1.2604 2.1328 2.1328 2.3227 2.3227 2.6643 2.6643 3.0260 3.0260 3.5656 3.5656 3.9517 3.9517 4.2161 4.2161 4.5171 4.5171 5.0942 5.0942 5.3075 5.3075 5.6284 5.6284 5.7916 5.7916 5.8101 5.8101 6.1336 6.1336 6.2620 6.2620 10.0613 10.0613 10.1410 10.1410 12.6525 12.6525 13.2991 13.2991 13.6813 13.6813 14.9072 14.9072 k = 0.5000 0.2887 0.2313 ( 4198 PWs) bands (ev): -11.9724 -11.9724 -11.5451 -11.5451 -10.8545 -10.8545 -10.4281 -10.4281 -10.1412 -10.1412 -10.0783 -10.0783 -2.0178 -2.0178 -1.3772 -1.3772 0.1254 0.1254 0.5525 0.5525 0.8023 0.8023 1.0018 1.0018 1.0797 1.0797 1.2515 1.2515 2.1220 2.1220 2.3288 2.3288 2.6375 2.6375 2.9607 2.9607 3.6063 3.6063 3.9676 3.9676 4.2352 4.2352 4.5065 4.5065 5.0758 5.0758 5.3100 5.3100 5.6214 5.6214 5.7949 5.7949 5.8375 5.8375 6.1514 6.1514 6.2479 6.2479 10.0857 10.0857 10.1239 10.1239 12.6654 12.6654 13.2715 13.2715 13.7029 13.7029 14.9299 14.9299 k = 0.5000 0.2887 0.2148 ( 4190 PWs) bands (ev): -11.9764 -11.9764 -11.5525 -11.5525 -10.8549 -10.8549 -10.4234 -10.4234 -10.1326 -10.1326 -10.0771 -10.0771 -2.0275 -2.0275 -1.3448 -1.3448 0.1508 0.1508 0.5386 0.5386 0.8074 0.8074 0.9973 0.9973 1.0694 1.0694 1.2444 1.2444 2.1076 2.1076 2.3365 2.3365 2.6137 2.6137 2.8933 2.8933 3.6477 3.6477 3.9856 3.9856 4.2522 4.2522 4.4966 4.4966 5.0583 5.0583 5.3099 5.3099 5.6179 5.6179 5.7816 5.7816 5.8784 5.8784 6.1681 6.1681 6.2324 6.2324 10.1056 10.1056 10.1124 10.1124 12.6783 12.6783 13.2425 13.2425 13.7268 13.7268 14.9384 14.9384 k = 0.5000 0.2887 0.1983 ( 4196 PWs) bands (ev): -11.9802 -11.9802 -11.5597 -11.5597 -10.8554 -10.8554 -10.4188 -10.4188 -10.1252 -10.1252 -10.0753 -10.0753 -2.0369 -2.0369 -1.3120 -1.3120 0.1748 0.1748 0.5192 0.5192 0.8110 0.8110 0.9953 0.9953 1.0655 1.0655 1.2390 1.2390 2.0905 2.0905 2.3446 2.3446 2.5929 2.5929 2.8256 2.8256 3.6882 3.6882 4.0055 4.0055 4.2668 4.2668 4.4879 4.4879 5.0416 5.0416 5.3076 5.3076 5.6177 5.6177 5.7659 5.7659 5.9181 5.9181 6.1833 6.1833 6.2162 6.2162 10.0902 10.0902 10.1370 10.1370 12.6913 12.6913 13.2128 13.2128 13.7523 13.7523 14.9296 14.9296 k = 0.5000 0.2887 0.1818 ( 4192 PWs) bands (ev): -11.9838 -11.9838 -11.5665 -11.5665 -10.8557 -10.8557 -10.4144 -10.4144 -10.1189 -10.1189 -10.0727 -10.0727 -2.0457 -2.0457 -1.2790 -1.2790 0.1970 0.1970 0.4954 0.4954 0.8129 0.8129 0.9952 0.9952 1.0683 1.0683 1.2355 1.2355 2.0715 2.0715 2.3519 2.3519 2.5755 2.5755 2.7588 2.7588 3.7269 3.7269 4.0266 4.0266 4.2787 4.2787 4.4809 4.4809 5.0258 5.0258 5.3037 5.3037 5.6204 5.6204 5.7486 5.7486 5.9560 5.9560 6.1919 6.1919 6.2045 6.2045 10.0744 10.0744 10.1628 10.1628 12.7044 12.7044 13.1829 13.1829 13.7786 13.7786 14.9076 14.9076 k = 0.5000 0.2887 0.1652 ( 4188 PWs) bands (ev): -11.9872 -11.9872 -11.5728 -11.5728 -10.8561 -10.8561 -10.4103 -10.4103 -10.1141 -10.1141 -10.0692 -10.0692 -2.0541 -2.0541 -1.2462 -1.2462 0.2168 0.2168 0.4688 0.4688 0.8135 0.8135 0.9963 0.9963 1.0770 1.0770 1.2339 1.2339 2.0514 2.0514 2.3574 2.3574 2.5615 2.5615 2.6943 2.6943 3.7632 3.7632 4.0487 4.0487 4.2876 4.2876 4.4760 4.4760 5.0111 5.0111 5.2991 5.2991 5.6251 5.6251 5.7302 5.7302 5.9916 5.9916 6.1774 6.1774 6.2142 6.2142 10.0593 10.0593 10.1882 10.1882 12.7178 12.7178 13.1530 13.1530 13.8052 13.8052 14.8786 14.8786 k = 0.5000 0.2887 0.1487 ( 4190 PWs) bands (ev): -11.9904 -11.9904 -11.5786 -11.5786 -10.8564 -10.8564 -10.4065 -10.4065 -10.1106 -10.1106 -10.0651 -10.0651 -2.0618 -2.0618 -1.2140 -1.2140 0.2331 0.2331 0.4413 0.4413 0.8132 0.8132 0.9988 0.9988 1.0898 1.0898 1.2342 1.2342 2.0306 2.0306 2.3600 2.3600 2.5507 2.5507 2.6336 2.6336 3.7965 3.7965 4.0713 4.0713 4.2934 4.2934 4.4736 4.4736 4.9974 4.9974 5.2944 5.2944 5.6305 5.6305 5.7119 5.7119 6.0245 6.0245 6.1588 6.1588 6.2265 6.2265 10.0451 10.0451 10.2129 10.2129 12.7315 12.7315 13.1234 13.1234 13.8316 13.8316 14.8469 14.8469 k = 0.5000 0.2887 0.1322 ( 4190 PWs) bands (ev): -11.9933 -11.9933 -11.5839 -11.5839 -10.8567 -10.8567 -10.4030 -10.4030 -10.1081 -10.1081 -10.0606 -10.0606 -2.0689 -2.0689 -1.1827 -1.1827 0.2449 0.2449 0.4151 0.4151 0.8122 0.8122 1.0027 1.0027 1.1050 1.1050 1.2366 1.2366 2.0097 2.0097 2.3590 2.3590 2.5405 2.5405 2.5804 2.5804 3.8266 3.8266 4.0938 4.0938 4.2963 4.2963 4.4734 4.4734 4.9848 4.9848 5.2904 5.2904 5.6340 5.6340 5.6961 5.6961 6.0542 6.0542 6.1400 6.1400 6.2381 6.2381 10.0319 10.0319 10.2364 10.2364 12.7457 12.7457 13.0942 13.0942 13.8575 13.8575 14.8150 14.8150 k = 0.5000 0.2887 0.1157 ( 4192 PWs) bands (ev): -11.9959 -11.9959 -11.5887 -11.5887 -10.8570 -10.8570 -10.3998 -10.3998 -10.1064 -10.1064 -10.0559 -10.0559 -2.0752 -2.0752 -1.1529 -1.1529 0.2504 0.2504 0.3931 0.3931 0.8108 0.8108 1.0078 1.0078 1.1209 1.1209 1.2410 1.2410 1.9891 1.9891 2.3537 2.3537 2.5147 2.5147 2.5521 2.5521 3.8531 3.8531 4.1157 4.1157 4.2968 4.2968 4.4752 4.4752 4.9734 4.9734 5.2874 5.2874 5.6306 5.6306 5.6878 5.6878 6.0799 6.0799 6.1221 6.1221 6.2487 6.2487 10.0199 10.0199 10.2584 10.2584 12.7604 12.7604 13.0656 13.0656 13.8822 13.8822 14.7841 14.7841 k = 0.5000 0.2887 0.0991 ( 4184 PWs) bands (ev): -11.9982 -11.9982 -11.5929 -11.5929 -10.8573 -10.8573 -10.3971 -10.3971 -10.1053 -10.1053 -10.0515 -10.0515 -2.0808 -2.0808 -1.1251 -1.1251 0.2484 0.2484 0.3779 0.3779 0.8092 0.8092 1.0138 1.0138 1.1366 1.1366 1.2470 1.2470 1.9696 1.9696 2.3432 2.3432 2.4764 2.4764 2.5473 2.5473 3.8761 3.8761 4.1362 4.1362 4.2955 4.2955 4.4784 4.4784 4.9633 4.9633 5.2858 5.2858 5.6182 5.6182 5.6893 5.6893 6.0935 6.0935 6.1135 6.1135 6.2584 6.2584 10.0093 10.0093 10.2784 10.2784 12.7757 12.7757 13.0377 13.0377 13.9053 13.9053 14.7553 14.7553 k = 0.5000 0.2887 0.0826 ( 4186 PWs) bands (ev): -12.0002 -12.0002 -11.5965 -11.5965 -10.8575 -10.8575 -10.3947 -10.3947 -10.1045 -10.1045 -10.0475 -10.0475 -2.0856 -2.0856 -1.1001 -1.1001 0.2391 0.2391 0.3701 0.3701 0.8076 0.8076 1.0200 1.0200 1.1514 1.1514 1.2540 1.2540 1.9516 1.9516 2.3268 2.3268 2.4452 2.4452 2.5473 2.5473 3.8955 3.8955 4.1547 4.1547 4.2931 4.2931 4.4824 4.4824 4.9545 4.9545 5.2858 5.2858 5.6010 5.6010 5.6962 5.6962 6.0817 6.0817 6.1278 6.1278 6.2669 6.2669 10.0001 10.0001 10.2960 10.2960 12.7918 12.7918 13.0106 13.0106 13.9264 13.9264 14.7294 14.7294 k = 0.5000 0.2887 0.0661 ( 4198 PWs) bands (ev): -12.0019 -12.0019 -11.5995 -11.5995 -10.8577 -10.8577 -10.3927 -10.3927 -10.1041 -10.1041 -10.0440 -10.0440 -2.0896 -2.0896 -1.0783 -1.0783 0.2256 0.2256 0.3676 0.3676 0.8060 0.8060 1.0258 1.0258 1.1649 1.1649 1.2611 1.2611 1.9357 1.9357 2.3060 2.3060 2.4240 2.4240 2.5488 2.5488 3.9114 3.9114 4.1707 4.1707 4.2904 4.2904 4.4864 4.4864 4.9471 4.9471 5.2870 5.2870 5.5831 5.5831 5.7049 5.7049 6.0669 6.0669 6.1431 6.1431 6.2742 6.2742 9.9924 9.9924 10.3109 10.3109 12.8088 12.8088 12.9845 12.9845 13.9447 13.9447 14.7069 14.7069 k = 0.5000 0.2887 0.0496 ( 4206 PWs) bands (ev): -12.0031 -12.0031 -11.6018 -11.6018 -10.8578 -10.8578 -10.3911 -10.3911 -10.1038 -10.1038 -10.0412 -10.0412 -2.0927 -2.0927 -1.0605 -1.0605 0.2117 0.2117 0.3679 0.3679 0.8047 0.8047 1.0307 1.0307 1.1766 1.1766 1.2675 1.2675 1.9226 1.9226 2.2846 2.2846 2.4107 2.4107 2.5507 2.5507 3.9237 3.9237 4.1836 4.1836 4.2878 4.2878 4.4901 4.4901 4.9413 4.9413 5.2892 5.2892 5.5668 5.5668 5.7133 5.7133 6.0539 6.0539 6.1553 6.1553 6.2801 6.2801 9.9863 9.9863 10.3228 10.3228 12.8265 12.8265 12.9593 12.9593 13.9598 13.9598 14.6885 14.6885 k = 0.5000 0.2887 0.0330 ( 4206 PWs) bands (ev): -12.0041 -12.0041 -11.6035 -11.6035 -10.8579 -10.8579 -10.3900 -10.3900 -10.1036 -10.1036 -10.0392 -10.0392 -2.0950 -2.0950 -1.0473 -1.0473 0.2001 0.2001 0.3690 0.3690 0.8037 0.8037 1.0344 1.0344 1.1859 1.1859 1.2725 1.2725 1.9128 1.9128 2.2666 2.2666 2.4028 2.4028 2.5525 2.5525 3.9324 3.9324 4.1931 4.1931 4.2857 4.2857 4.4929 4.4929 4.9371 4.9371 5.2916 5.2916 5.5539 5.5539 5.7202 5.7202 6.0438 6.0438 6.1640 6.1640 6.2845 6.2845 9.9819 9.9819 10.3315 10.3315 12.8450 12.8450 12.9355 12.9355 13.9711 13.9711 14.6749 14.6749 k = 0.5000 0.2887 0.0165 ( 4198 PWs) bands (ev): -12.0046 -12.0046 -11.6045 -11.6045 -10.8580 -10.8580 -10.3893 -10.3893 -10.1035 -10.1035 -10.0379 -10.0379 -2.0963 -2.0963 -1.0391 -1.0391 0.1925 0.1925 0.3701 0.3701 0.8031 0.8031 1.0368 1.0368 1.1920 1.1920 1.2756 1.2756 1.9068 1.9068 2.2549 2.2549 2.3986 2.3986 2.5537 2.5537 3.9377 3.9377 4.1989 4.1989 4.2844 4.2844 4.4948 4.4948 4.9345 4.9345 5.2935 5.2935 5.5455 5.5455 5.7247 5.7247 6.0375 6.0375 6.1692 6.1692 6.2872 6.2872 9.9792 9.9792 10.3368 10.3368 12.8636 12.8636 12.9137 12.9137 13.9782 13.9782 14.6665 14.6665 k = 0.5000 0.2887-0.0000 ( 4208 PWs) bands (ev): -12.0048 -12.0048 -11.6048 -11.6048 -10.8580 -10.8580 -10.3891 -10.3891 -10.1034 -10.1034 -10.0375 -10.0375 -2.0968 -2.0968 -1.0364 -1.0364 0.1899 0.1899 0.3704 0.3704 0.8028 0.8028 1.0375 1.0375 1.1941 1.1941 1.2766 1.2766 1.9047 1.9047 2.2508 2.2508 2.3973 2.3973 2.5541 2.5541 3.9395 3.9395 4.2008 4.2008 4.2840 4.2840 4.4954 4.4954 4.9336 4.9336 5.2942 5.2942 5.5425 5.5425 5.7262 5.7262 6.0353 6.0353 6.1709 6.1709 6.2881 6.2881 9.9783 9.9783 10.3385 10.3385 12.8757 12.8757 12.9005 12.9005 13.9805 13.9805 14.6636 14.6636 k = 0.3333 0.5774-0.0000 ( 4185 PWs) bands (ev): -11.7373 -11.7373 -11.7226 -11.7226 -11.1136 -11.1136 -10.2802 -10.2802 -10.2787 -10.2787 -9.9013 -9.9013 -1.5724 -1.5724 -1.5525 -1.5525 0.1827 0.1827 0.3979 0.3979 0.7872 0.7872 1.0985 1.0985 1.1425 1.1425 1.2789 1.2789 2.0548 2.0548 2.2722 2.2722 2.8339 2.8339 2.8509 2.8509 3.1179 3.1179 3.1416 3.1416 4.2909 4.2909 5.0136 5.0136 5.0147 5.0147 5.1275 5.1275 5.9294 5.9294 6.0195 6.0195 6.0513 6.0513 6.2696 6.2696 6.2872 6.2872 10.2172 10.2172 10.2275 10.2275 12.4917 12.4917 12.9703 12.9703 13.2214 13.2214 15.4429 15.4432 k = 0.3333 0.5774 0.0165 ( 4182 PWs) bands (ev): -11.7361 -11.7361 -11.7215 -11.7215 -11.1102 -11.1102 -10.2822 -10.2822 -10.2806 -10.2806 -9.9066 -9.9066 -1.5608 -1.5608 -1.5414 -1.5414 0.1866 0.1866 0.3806 0.3806 0.8014 0.8014 1.1227 1.1227 1.1316 1.1316 1.2898 1.2898 2.0360 2.0360 2.2467 2.2467 2.8489 2.8489 2.8672 2.8672 3.0781 3.0781 3.1303 3.1303 4.2556 4.2556 5.0174 5.0174 5.0187 5.0187 5.1243 5.1243 5.9522 5.9522 6.0228 6.0228 6.0551 6.0551 6.2824 6.2824 6.2993 6.2993 10.1873 10.1873 10.1981 10.1981 12.5657 12.5657 13.0047 13.0047 13.2584 13.2584 15.4314 15.4337 k = 0.3333 0.5774 0.0330 ( 4182 PWs) bands (ev): -11.7346 -11.7346 -11.7201 -11.7201 -11.1061 -11.1061 -10.2846 -10.2846 -10.2828 -10.2828 -9.9127 -9.9127 -1.5504 -1.5504 -1.5318 -1.5318 0.1909 0.1909 0.3626 0.3626 0.8164 0.8164 1.1038 1.1038 1.1572 1.1572 1.3117 1.3117 2.0170 2.0170 2.2204 2.2204 2.8651 2.8651 2.8858 2.8858 3.0260 3.0260 3.1317 3.1317 4.2198 4.2198 5.0234 5.0234 5.0248 5.0248 5.1203 5.1203 5.9761 5.9761 6.0214 6.0214 6.0537 6.0537 6.2963 6.2963 6.3116 6.3116 10.1565 10.1565 10.1677 10.1677 12.6404 12.6404 13.0401 13.0401 13.2966 13.2966 15.3934 15.4232 k = 0.3333 0.5774 0.0496 ( 4194 PWs) bands (ev): -11.7328 -11.7328 -11.7183 -11.7183 -11.1014 -11.1014 -10.2874 -10.2874 -10.2854 -10.2854 -9.9194 -9.9194 -1.5414 -1.5414 -1.5239 -1.5239 0.1955 0.1955 0.3442 0.3442 0.8321 0.8321 1.0861 1.0861 1.1744 1.1744 1.3451 1.3451 1.9976 1.9976 2.1933 2.1933 2.8796 2.8796 2.9066 2.9066 2.9762 2.9762 3.1346 3.1346 4.1838 4.1838 5.0314 5.0314 5.0330 5.0330 5.1155 5.1155 6.0006 6.0006 6.0162 6.0162 6.0479 6.0479 6.3100 6.3100 6.3235 6.3235 10.1252 10.1252 10.1369 10.1369 12.7155 12.7155 13.0761 13.0761 13.3358 13.3358 15.3355 15.3376 k = 0.3333 0.5774 0.0661 ( 4188 PWs) bands (ev): -11.7306 -11.7306 -11.7162 -11.7162 -11.0962 -11.0962 -10.2904 -10.2904 -10.2883 -10.2883 -9.9267 -9.9267 -1.5339 -1.5339 -1.5176 -1.5176 0.2006 0.2006 0.3261 0.3261 0.8484 0.8484 1.0702 1.0702 1.1861 1.1861 1.3873 1.3873 1.9780 1.9780 2.1655 2.1655 2.8766 2.8766 2.9295 2.9295 2.9455 2.9455 3.1384 3.1384 4.1476 4.1476 5.0415 5.0415 5.0431 5.0431 5.1100 5.1100 6.0077 6.0077 6.0251 6.0251 6.0393 6.0393 6.3226 6.3226 6.3340 6.3340 10.0938 10.0938 10.1059 10.1059 12.7904 12.7904 13.1124 13.1124 13.3757 13.3757 15.2725 15.2729 k = 0.3333 0.5774 0.0826 ( 4197 PWs) bands (ev): -11.7282 -11.7282 -11.7138 -11.7138 -11.0905 -11.0905 -10.2938 -10.2938 -10.2916 -10.2916 -9.9346 -9.9346 -1.5280 -1.5280 -1.5132 -1.5132 0.2060 0.2060 0.3084 0.3084 0.8648 0.8648 1.0561 1.0561 1.1951 1.1951 1.4345 1.4345 1.9580 1.9580 2.1370 2.1370 2.8378 2.8378 2.9529 2.9529 2.9545 2.9545 3.1430 3.1430 4.1113 4.1113 5.0536 5.0536 5.0552 5.0552 5.1039 5.1039 5.9964 5.9964 6.0255 6.0255 6.0520 6.0520 6.3333 6.3333 6.3427 6.3427 10.0627 10.0627 10.0751 10.0751 12.8648 12.8648 13.1486 13.1486 13.4160 13.4160 15.2052 15.2052 k = 0.3333 0.5774 0.0991 ( 4206 PWs) bands (ev): -11.7254 -11.7254 -11.7111 -11.7111 -11.0843 -11.0843 -10.2975 -10.2975 -10.2952 -10.2952 -9.9431 -9.9431 -1.5238 -1.5238 -1.5107 -1.5107 0.2118 0.2118 0.2915 0.2915 0.8813 0.8813 1.0439 1.0439 1.2036 1.2036 1.4842 1.4842 1.9378 1.9378 2.1082 2.1082 2.7872 2.7872 2.9751 2.9751 2.9815 2.9815 3.1482 3.1482 4.0752 4.0752 5.0677 5.0677 5.0692 5.0692 5.0972 5.0972 5.9826 5.9826 6.0111 6.0111 6.0772 6.0772 6.3414 6.3414 6.3490 6.3490 10.0322 10.0322 10.0448 10.0448 12.9380 12.9380 13.1843 13.1843 13.4565 13.4565 15.1339 15.1339 k = 0.3333 0.5774 0.1157 ( 4194 PWs) bands (ev): -11.7224 -11.7224 -11.7082 -11.7082 -11.0777 -11.0777 -10.3015 -10.3015 -10.2991 -10.2991 -9.9520 -9.9520 -1.5215 -1.5215 -1.5102 -1.5102 0.2182 0.2182 0.2760 0.2760 0.8976 0.8976 1.0338 1.0338 1.2126 1.2126 1.5344 1.5344 1.9176 1.9176 2.0792 2.0792 2.7358 2.7358 3.0016 3.0016 3.0104 3.0104 3.1544 3.1544 4.0393 4.0393 5.0836 5.0836 5.0842 5.0842 5.0908 5.0908 5.9665 5.9665 5.9942 5.9942 6.1023 6.1023 6.3466 6.3466 6.3526 6.3526 10.0027 10.0027 10.0154 10.0154 13.0094 13.0094 13.2192 13.2192 13.4970 13.4970 15.0603 15.0603 k = 0.3333 0.5774 0.1322 ( 4191 PWs) bands (ev): -11.7192 -11.7192 -11.7049 -11.7049 -11.0706 -11.0706 -10.3056 -10.3056 -10.3032 -10.3032 -9.9613 -9.9613 -1.5209 -1.5209 -1.5116 -1.5116 0.2251 0.2251 0.2619 0.2619 0.9134 0.9134 1.0254 1.0254 1.2225 1.2225 1.5832 1.5832 1.8974 1.8974 2.0505 2.0505 2.6868 2.6868 3.0302 3.0302 3.0411 3.0411 3.1615 3.1615 4.0038 4.0038 5.0815 5.0815 5.1015 5.1015 5.1035 5.1035 5.9482 5.9482 5.9752 5.9752 6.1270 6.1270 6.3486 6.3486 6.3532 6.3532 9.9745 9.9745 9.9873 9.9873 13.0782 13.0782 13.2528 13.2528 13.5374 13.5374 14.9858 14.9858 k = 0.3333 0.5774 0.1487 ( 4197 PWs) bands (ev): -11.7158 -11.7158 -11.7015 -11.7015 -11.0632 -11.0632 -10.3100 -10.3100 -10.3076 -10.3076 -9.9709 -9.9709 -1.5223 -1.5223 -1.5150 -1.5150 0.2325 0.2325 0.2494 0.2494 0.9286 0.9286 1.0187 1.0187 1.2334 1.2334 1.6287 1.6287 1.8775 1.8775 2.0225 2.0225 2.6424 2.6424 3.0599 3.0599 3.0736 3.0736 3.1701 3.1701 3.9688 3.9688 5.0733 5.0733 5.1210 5.1210 5.1227 5.1227 5.9279 5.9279 5.9542 5.9542 6.1511 6.1511 6.3471 6.3471 6.3505 6.3505 9.9480 9.9480 9.9607 9.9607 13.1434 13.1434 13.2848 13.2848 13.5773 13.5773 14.9113 14.9113 k = 0.3333 0.5774 0.1652 ( 4203 PWs) bands (ev): -11.7122 -11.7122 -11.6978 -11.6978 -11.0555 -11.0555 -10.3145 -10.3145 -10.3121 -10.3121 -9.9808 -9.9808 -1.5255 -1.5255 -1.5203 -1.5203 0.2389 0.2389 0.2406 0.2406 0.9432 0.9432 1.0133 1.0133 1.2449 1.2449 1.6686 1.6686 1.8583 1.8583 1.9959 1.9959 2.6047 2.6047 3.0894 3.0894 3.1079 3.1079 3.1810 3.1810 3.9344 3.9344 5.0647 5.0647 5.1422 5.1422 5.1438 5.1438 5.9055 5.9055 5.9313 5.9313 6.1743 6.1743 6.3421 6.3421 6.3445 6.3445 9.9233 9.9233 9.9359 9.9359 13.2039 13.2039 13.3149 13.3149 13.6168 13.6168 14.8381 14.8381 k = 0.3333 0.5774 0.1818 ( 4197 PWs) bands (ev): -11.7084 -11.7084 -11.6940 -11.6940 -11.0476 -11.0476 -10.3191 -10.3191 -10.3168 -10.3168 -9.9908 -9.9908 -1.5305 -1.5305 -1.5275 -1.5275 0.2306 0.2306 0.2495 0.2495 0.9572 0.9572 1.0091 1.0091 1.2568 1.2568 1.7003 1.7003 1.8400 1.8400 1.9712 1.9712 2.5762 2.5762 3.1169 3.1169 3.1438 3.1438 3.1958 3.1958 3.9008 3.9008 5.0557 5.0557 5.1649 5.1649 5.1663 5.1663 5.8810 5.8810 5.9063 5.9063 6.1964 6.1964 6.3336 6.3336 6.3351 6.3351 9.9008 9.9008 9.9131 9.9131 13.2587 13.2587 13.3426 13.3426 13.6552 13.6552 14.7678 14.7678 k = 0.3333 0.5774 0.1983 ( 4206 PWs) bands (ev): -11.7045 -11.7045 -11.6901 -11.6901 -11.0395 -11.0395 -10.3238 -10.3238 -10.3215 -10.3215 -10.0010 -10.0010 -1.5373 -1.5373 -1.5363 -1.5363 0.2243 0.2243 0.2590 0.2590 0.9704 0.9704 1.0055 1.0055 1.2683 1.2683 1.7215 1.7215 1.8230 1.8230 1.9489 1.9489 2.5596 2.5596 3.1400 3.1400 3.1814 3.1814 3.2168 3.2168 3.8681 3.8681 5.0465 5.0465 5.1890 5.1890 5.1902 5.1902 5.8544 5.8544 5.8793 5.8793 6.2171 6.2171 6.3218 6.3218 6.3224 6.3224 9.8806 9.8806 9.8927 9.8927 13.3063 13.3063 13.3678 13.3678 13.6920 13.6920 14.7020 14.7020 k = 0.3333 0.5774 0.2148 ( 4200 PWs) bands (ev): -11.7005 -11.7005 -11.6860 -11.6860 -11.0312 -11.0312 -10.3286 -10.3286 -10.3264 -10.3264 -10.0112 -10.0112 -1.5468 -1.5468 -1.5458 -1.5458 0.2204 0.2204 0.2693 0.2693 0.9831 0.9831 1.0022 1.0022 1.2786 1.2786 1.7303 1.7303 1.8076 1.8076 1.9294 1.9294 2.5569 2.5569 3.1575 3.1575 3.2206 3.2206 3.2452 3.2452 3.8364 3.8364 5.0371 5.0371 5.2145 5.2145 5.2154 5.2154 5.8256 5.8256 5.8501 5.8501 6.2358 6.2358 6.3064 6.3064 6.3071 6.3071 9.8631 9.8631 9.8747 9.8747 13.3457 13.3457 13.3902 13.3902 13.7257 13.7257 14.6433 14.6433 k = 0.3333 0.5774 0.2313 ( 4203 PWs) bands (ev): -11.6965 -11.6965 -11.6819 -11.6819 -11.0230 -11.0230 -10.3333 -10.3333 -10.3312 -10.3312 -10.0213 -10.0213 -1.5587 -1.5587 -1.5559 -1.5559 0.2188 0.2188 0.2804 0.2804 0.9951 0.9951 0.9988 0.9988 1.2869 1.2869 1.7267 1.7267 1.7943 1.7943 1.9125 1.9125 2.5694 2.5694 3.1706 3.1706 3.2614 3.2614 3.2794 3.2794 3.8058 3.8058 5.0277 5.0277 5.2410 5.2410 5.2418 5.2418 5.7945 5.7945 5.8188 5.8188 6.2509 6.2509 6.2873 6.2873 6.2913 6.2913 9.8482 9.8482 9.8594 9.8594 13.3757 13.3757 13.4095 13.4095 13.7542 13.7542 14.5948 14.5948 k = 0.3333 0.5774 0.2479 ( 4209 PWs) bands (ev): -11.6924 -11.6924 -11.6777 -11.6777 -11.0147 -11.0147 -10.3380 -10.3380 -10.3361 -10.3361 -10.0312 -10.0312 -1.5720 -1.5720 -1.5673 -1.5673 0.2194 0.2194 0.2922 0.2922 0.9949 0.9949 1.0065 1.0065 1.2922 1.2922 1.7119 1.7119 1.7833 1.7833 1.8981 1.8981 2.5963 2.5963 3.1811 3.1811 3.3037 3.3037 3.3175 3.3175 3.7765 3.7765 5.0183 5.0183 5.2685 5.2685 5.2690 5.2690 5.7610 5.7610 5.7850 5.7850 6.2521 6.2521 6.2652 6.2652 6.2847 6.2847 9.8362 9.8362 9.8468 9.8468 13.3955 13.3955 13.4256 13.4256 13.7749 13.7749 14.5599 14.5599 k = 0.3333 0.5774 0.2644 ( 4209 PWs) bands (ev): -11.6884 -11.6884 -11.6736 -11.6736 -11.0066 -11.0066 -10.3426 -10.3426 -10.3408 -10.3408 -10.0409 -10.0409 -1.5863 -1.5863 -1.5801 -1.5801 0.2222 0.2222 0.3048 0.3048 0.9901 0.9901 1.0174 1.0174 1.2936 1.2936 1.6877 1.6877 1.7749 1.7749 1.8873 1.8873 2.6361 2.6361 3.1902 3.1902 3.3475 3.3475 3.3584 3.3584 3.7486 3.7486 5.0089 5.0089 5.2967 5.2967 5.2970 5.2970 5.7251 5.7251 5.7489 5.7489 6.2333 6.2333 6.2406 6.2406 6.2937 6.2937 9.8271 9.8271 9.8371 9.8371 13.4040 13.4040 13.4383 13.4383 13.7854 13.7854 14.5422 14.5422 k = 0.3333 0.5774 0.2809 ( 4209 PWs) bands (ev): -11.6844 -11.6844 -11.6695 -11.6695 -10.9987 -10.9987 -10.3471 -10.3471 -10.3455 -10.3455 -10.0502 -10.0502 -1.6016 -1.6016 -1.5939 -1.5939 0.2272 0.2272 0.3180 0.3180 0.9841 0.9841 1.0278 1.0278 1.2906 1.2906 1.6555 1.6555 1.7695 1.7695 1.8812 1.8812 2.6861 2.6861 3.1986 3.1986 3.3928 3.3928 3.4012 3.4012 3.7224 3.7224 4.9998 4.9998 5.3253 5.3253 5.3254 5.3254 5.6868 5.6868 5.7103 5.7103 6.2075 6.2075 6.2135 6.2135 6.3054 6.3054 9.8208 9.8208 9.8302 9.8302 13.4005 13.4005 13.4476 13.4476 13.7849 13.7849 14.5434 14.5434 k = 0.3333 0.5774 0.2974 ( 4209 PWs) bands (ev): -11.6806 -11.6806 -11.6654 -11.6654 -10.9910 -10.9910 -10.3514 -10.3514 -10.3500 -10.3500 -10.0590 -10.0590 -1.6176 -1.6176 -1.6087 -1.6087 0.2343 0.2343 0.3318 0.3318 0.9768 0.9768 1.0377 1.0377 1.2829 1.2829 1.6169 1.6169 1.7672 1.7672 1.8809 1.8809 2.7441 2.7441 3.2063 3.2063 3.4395 3.4395 3.4456 3.4456 3.6981 3.6981 4.9909 4.9909 5.3534 5.3534 5.3538 5.3538 5.6463 5.6463 5.6697 5.6697 6.1787 6.1787 6.1845 6.1845 6.3162 6.3162 9.8175 9.8175 9.8261 9.8261 13.3841 13.3841 13.4534 13.4534 13.7747 13.7747 14.5632 14.5632 k = 0.3333 0.5774 0.3140 ( 4206 PWs) bands (ev): -11.6768 -11.6768 -11.6615 -11.6615 -10.9838 -10.9838 -10.3554 -10.3554 -10.3543 -10.3543 -10.0673 -10.0673 -1.6342 -1.6342 -1.6241 -1.6241 0.2433 0.2433 0.3460 0.3460 0.9680 0.9680 1.0470 1.0470 1.2707 1.2707 1.5734 1.5734 1.7681 1.7681 1.8865 1.8865 2.8078 2.8078 3.2137 3.2137 3.4876 3.4876 3.4911 3.4911 3.6761 3.6761 4.9824 4.9824 5.3801 5.3801 5.3809 5.3809 5.6046 5.6046 5.6277 5.6277 6.1479 6.1479 6.1538 6.1538 6.3254 6.3254 9.8170 9.8170 9.8249 9.8249 13.3545 13.3545 13.4558 13.4558 13.7579 13.7579 14.5990 14.5990 k = 0.3333 0.5774 0.3305 ( 4206 PWs) bands (ev): -11.6732 -11.6732 -11.6578 -11.6578 -10.9770 -10.9770 -10.3593 -10.3593 -10.3583 -10.3583 -10.0749 -10.0749 -1.6512 -1.6512 -1.6401 -1.6401 0.2541 0.2541 0.3605 0.3605 0.9579 0.9579 1.0554 1.0554 1.2546 1.2546 1.5265 1.5265 1.7721 1.7721 1.8978 1.8978 2.8755 2.8755 3.2207 3.2207 3.5368 3.5368 3.5371 3.5371 3.6575 3.6575 4.9743 4.9743 5.4028 5.4028 5.4034 5.4034 5.5646 5.5646 5.5870 5.5870 6.1157 6.1157 6.1218 6.1218 6.3327 6.3327 9.8193 9.8193 9.8264 9.8264 13.3120 13.3120 13.4547 13.4547 13.7377 13.7377 14.6477 14.6477 k = 0.3333 0.5774 0.3470 ( 4200 PWs) bands (ev): -11.6699 -11.6699 -11.6543 -11.6543 -10.9707 -10.9707 -10.3628 -10.3628 -10.3621 -10.3621 -10.0817 -10.0817 -1.6683 -1.6683 -1.6565 -1.6565 0.2666 0.2666 0.3751 0.3751 0.9466 0.9466 1.0627 1.0627 1.2356 1.2356 1.4772 1.4772 1.7792 1.7792 1.9138 1.9138 2.9456 2.9456 3.2275 3.2275 3.5794 3.5794 3.5879 3.5879 3.6458 3.6458 4.9668 4.9668 5.4117 5.4117 5.4135 5.4135 5.5357 5.5357 5.5550 5.5550 6.0825 6.0825 6.0889 6.0889 6.3381 6.3381 9.8242 9.8242 9.8306 9.8306 13.2578 13.2578 13.4504 13.4504 13.7162 13.7162 14.7061 14.7061 k = 0.3333 0.5774 0.3635 ( 4206 PWs) bands (ev): -11.6668 -11.6668 -11.6510 -11.6510 -10.9652 -10.9652 -10.3660 -10.3660 -10.3656 -10.3656 -10.0877 -10.0877 -1.6856 -1.6856 -1.6731 -1.6731 0.2806 0.2806 0.3896 0.3896 0.9343 0.9343 1.0681 1.0681 1.2150 1.2150 1.4268 1.4268 1.7891 1.7891 1.9339 1.9339 3.0164 3.0164 3.2344 3.2344 3.6013 3.6013 3.6400 3.6400 3.6590 3.6590 4.9598 4.9598 5.3906 5.3906 5.3984 5.3984 5.5330 5.5330 5.5456 5.5456 6.0487 6.0487 6.0553 6.0553 6.3414 6.3414 9.8317 9.8317 9.8373 9.8373 13.1941 13.1941 13.4429 13.4429 13.6944 13.6944 14.7716 14.7716 k = 0.3333 0.5774 0.3801 ( 4212 PWs) bands (ev): -11.6639 -11.6639 -11.6479 -11.6479 -10.9603 -10.9603 -10.3688 -10.3688 -10.3687 -10.3687 -10.0928 -10.0928 -1.7027 -1.7027 -1.6897 -1.6897 0.2960 0.2960 0.4036 0.4036 0.9216 0.9216 1.0704 1.0704 1.1944 1.1944 1.3758 1.3758 1.8016 1.8016 1.9570 1.9570 3.0861 3.0861 3.2419 3.2419 3.5988 3.5988 3.6933 3.6933 3.7014 3.7014 4.9535 4.9535 5.3447 5.3447 5.3567 5.3567 5.5516 5.5516 5.5594 5.5594 6.0146 6.0146 6.0215 6.0215 6.3427 6.3427 9.8415 9.8415 9.8463 9.8463 13.1228 13.1228 13.4324 13.4324 13.6724 13.6724 14.8422 14.8422 k = 0.3333 0.5774 0.3966 ( 4206 PWs) bands (ev): -11.6614 -11.6614 -11.6452 -11.6452 -10.9563 -10.9563 -10.3714 -10.3714 -10.3713 -10.3713 -10.0969 -10.0969 -1.7195 -1.7195 -1.7061 -1.7061 0.3128 0.3128 0.4169 0.4169 0.9089 0.9089 1.0680 1.0680 1.1764 1.1764 1.3252 1.3252 1.8164 1.8164 1.9826 1.9826 3.1508 3.1508 3.2520 3.2520 3.5945 3.5945 3.7479 3.7479 3.7516 3.7516 4.9480 4.9480 5.2870 5.2870 5.3006 5.3006 5.5785 5.5785 5.5842 5.5842 5.9804 5.9804 5.9875 5.9875 6.3419 6.3419 9.8536 9.8536 9.8577 9.8577 13.0462 13.0462 13.4190 13.4190 13.6499 13.6499 14.9167 14.9167 k = 0.3333 0.5774 0.4131 ( 4206 PWs) bands (ev): -11.6592 -11.6592 -11.6428 -11.6428 -10.9531 -10.9531 -10.3737 -10.3737 -10.3733 -10.3733 -10.0998 -10.0998 -1.7359 -1.7359 -1.7223 -1.7223 0.3307 0.3307 0.4290 0.4290 0.8968 0.8968 1.0583 1.0583 1.1633 1.1633 1.2758 1.2758 1.8332 1.8332 2.0100 2.0100 3.2013 3.2013 3.2715 3.2715 3.5953 3.5953 3.8036 3.8036 3.8043 3.8043 4.9432 4.9432 5.2228 5.2228 5.2368 5.2368 5.6085 5.6085 5.6132 5.6132 5.9463 5.9463 5.9537 5.9537 6.3391 6.3391 9.8677 9.8677 9.8711 9.8711 12.9657 12.9657 13.4029 13.4029 13.6268 13.6268 14.9939 14.9939 k = 0.3333 0.5774 0.4296 ( 4203 PWs) bands (ev): -11.6573 -11.6573 -11.6408 -11.6408 -10.9508 -10.9508 -10.3756 -10.3756 -10.3748 -10.3748 -10.1017 -10.1017 -1.7518 -1.7518 -1.7380 -1.7380 0.3495 0.3495 0.4396 0.4396 0.8860 0.8860 1.0409 1.0409 1.1544 1.1544 1.2294 1.2294 1.8518 1.8518 2.0386 2.0386 3.2267 3.2267 3.3082 3.3082 3.6052 3.6052 3.8586 3.8586 3.8603 3.8603 4.9393 4.9393 5.1540 5.1540 5.1679 5.1679 5.6395 5.6395 5.6439 5.6439 5.9125 5.9125 5.9202 5.9202 6.3342 6.3342 9.8837 9.8837 9.8864 9.8864 12.8829 12.8829 13.3844 13.3844 13.6027 13.6027 15.0730 15.0730 k = 0.3333 0.5774 0.4462 ( 4206 PWs) bands (ev): -11.6558 -11.6558 -11.6391 -11.6391 -10.9495 -10.9495 -10.3770 -10.3770 -10.3760 -10.3760 -10.1024 -10.1024 -1.7671 -1.7671 -1.7532 -1.7532 0.3693 0.3693 0.4480 0.4480 0.8771 0.8771 1.0177 1.0177 1.1418 1.1418 1.1929 1.1929 1.8717 1.8717 2.0680 2.0680 3.2367 3.2367 3.3482 3.3482 3.6279 3.6279 3.9140 3.9140 3.9180 3.9180 4.9363 4.9363 5.0814 5.0814 5.0951 5.0951 5.6706 5.6706 5.6753 5.6753 5.8792 5.8792 5.8874 5.8874 6.3273 6.3273 9.9013 9.9013 9.9035 9.9035 12.7987 12.7987 13.3636 13.3636 13.5777 13.5777 15.1534 15.1534 k = 0.3333 0.5774 0.4627 ( 4191 PWs) bands (ev): -11.6547 -11.6547 -11.6378 -11.6378 -10.9491 -10.9491 -10.3779 -10.3779 -10.3766 -10.3766 -10.1019 -10.1019 -1.7815 -1.7815 -1.7677 -1.7677 0.3898 0.3898 0.4539 0.4539 0.8708 0.8708 0.9909 0.9909 1.1111 1.1111 1.1789 1.1789 1.8928 1.8928 2.0979 2.0979 3.2417 3.2417 3.3791 3.3791 3.6654 3.6654 3.9704 3.9704 3.9767 3.9767 4.9341 4.9341 5.0057 5.0057 5.0193 5.0193 5.7010 5.7010 5.7065 5.7065 5.8466 5.8466 5.8558 5.8558 6.3184 6.3184 9.9206 9.9206 9.9222 9.9222 12.7141 12.7141 13.3408 13.3408 13.5515 13.5515 15.2347 15.2347 k = 0.3333 0.5774 0.4792 ( 4194 PWs) bands (ev): -11.6541 -11.6541 -11.6370 -11.6370 -10.9497 -10.9497 -10.3783 -10.3783 -10.3767 -10.3767 -10.1003 -10.1003 -1.7951 -1.7951 -1.7814 -1.7814 0.4108 0.4108 0.4568 0.4568 0.8676 0.8676 0.9623 0.9623 1.0700 1.0700 1.1785 1.1785 1.9148 1.9148 2.1278 2.1278 3.2444 3.2444 3.3994 3.3994 3.7161 3.7161 4.0275 4.0275 4.0361 4.0361 4.9272 4.9272 4.9302 4.9302 4.9434 4.9434 5.7284 5.7284 5.7362 5.7362 5.8159 5.8159 5.8274 5.8274 6.3076 6.3076 9.9412 9.9412 9.9423 9.9423 12.6298 12.6298 13.3161 13.3161 13.5243 13.5244 15.3163 15.3163 k = 0.3333 0.5774 0.4957 ( 4206 PWs) bands (ev): -11.6538 -11.6538 -11.6366 -11.6366 -10.9513 -10.9513 -10.3782 -10.3782 -10.3764 -10.3764 -10.0975 -10.0975 -1.8078 -1.8078 -1.7943 -1.7943 0.4323 0.4323 0.4565 0.4565 0.8678 0.8678 0.9327 0.9327 1.0275 1.0275 1.1819 1.1819 1.9374 1.9374 2.1577 2.1577 3.2458 3.2458 3.4120 3.4120 3.7758 3.7758 4.0850 4.0850 4.0961 4.0961 4.8465 4.8465 4.8591 4.8591 4.9336 4.9336 5.7448 5.7448 5.7558 5.7558 5.7955 5.7955 5.8100 5.8100 6.2950 6.2950 9.9629 9.9629 9.9635 9.9635 12.5465 12.5465 13.2898 13.2898 13.4962 13.4962 15.3976 15.3976 k = 0.3333 0.5774 0.5123 ( 4212 PWs) bands (ev): -11.6539 -11.6539 -11.6365 -11.6365 -10.9538 -10.9538 -10.3777 -10.3777 -10.3756 -10.3756 -10.0936 -10.0936 -1.8194 -1.8194 -1.8062 -1.8062 0.4530 0.4530 0.4541 0.4541 0.8718 0.8718 0.9028 0.9028 0.9861 0.9861 1.1867 1.1867 1.9604 1.9604 2.1872 2.1872 3.2462 3.2462 3.4203 3.4203 3.8406 3.8406 4.1425 4.1425 4.1564 4.1564 4.7641 4.7641 4.7773 4.7773 4.9342 4.9342 5.7348 5.7348 5.7396 5.7396 5.8108 5.8108 5.8189 5.8189 6.2806 6.2806 9.9857 9.9857 9.9859 9.9859 12.4646 12.4646 13.2621 13.2621 13.4672 13.4672 15.4781 15.4782 k = 0.3333 0.5774 0.5288 ( 4224 PWs) bands (ev): -11.6545 -11.6545 -11.6370 -11.6370 -10.9572 -10.9572 -10.3766 -10.3766 -10.3743 -10.3743 -10.0886 -10.0886 -1.8299 -1.8299 -1.8171 -1.8171 0.4464 0.4464 0.4760 0.4760 0.8729 0.8729 0.8793 0.8793 0.9463 0.9463 1.1921 1.1921 1.9837 1.9837 2.2163 2.2163 3.2456 3.2456 3.4265 3.4265 3.9076 3.9076 4.1991 4.1991 4.2164 4.2164 4.6807 4.6807 4.6951 4.6951 4.9359 4.9359 5.7092 5.7092 5.7104 5.7104 5.8389 5.8389 5.8432 5.8432 6.2646 6.2646 10.0091 10.0091 10.0093 10.0093 12.3848 12.3848 13.2332 13.2332 13.4375 13.4375 15.5573 15.5619 k = 0.3333 0.5774 0.5453 ( 4230 PWs) bands (ev): -11.6555 -11.6555 -11.6378 -11.6378 -10.9615 -10.9615 -10.3751 -10.3751 -10.3726 -10.3726 -10.0827 -10.0827 -1.8393 -1.8393 -1.8269 -1.8269 0.4371 0.4371 0.4979 0.4979 0.8434 0.8434 0.8901 0.8901 0.9086 0.9086 1.1977 1.1977 2.0070 2.0070 2.2447 2.2447 3.2443 3.2443 3.4322 3.4322 3.9751 3.9751 4.2529 4.2529 4.2747 4.2747 4.5982 4.5982 4.6150 4.6150 4.9386 4.9386 5.6797 5.6797 5.6799 5.6799 5.8681 5.8681 5.8709 5.8709 6.2470 6.2470 10.0331 10.0331 10.0336 10.0336 12.3075 12.3075 13.2034 13.2034 13.4072 13.4072 15.6160 15.6206 Writing output data file CdxSbO3x2.save init_run : 0.66s CPU 0.92s WALL ( 1 calls) electrons : 398.62s CPU 404.35s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.06s WALL ( 1 calls) potinit : 0.04s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 398.61s CPU 404.34s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.01s WALL ( 1 calls) newd : 0.13s CPU 0.25s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.09s WALL ( 298 calls) cegterg : 380.68s CPU 385.15s WALL ( 946 calls) Called by sum_band: Called by *egterg: h_psi : 188.60s CPU 191.79s WALL ( 17205 calls) s_psi : 11.59s CPU 11.62s WALL ( 17205 calls) g_psi : 0.37s CPU 0.43s WALL ( 15961 calls) cdiaghg : 154.94s CPU 155.41s WALL ( 16259 calls) cegterg:over : 14.11s CPU 14.29s WALL ( 15961 calls) cegterg:upda : 13.95s CPU 14.57s WALL ( 15961 calls) cegterg:last : 5.71s CPU 5.74s WALL ( 1840 calls) cdiaghg:chol : 9.06s CPU 8.88s WALL ( 16259 calls) cdiaghg:inve : 5.83s CPU 6.10s WALL ( 16259 calls) cdiaghg:para : 10.08s CPU 10.13s WALL ( 32518 calls) Called by h_psi: h_psi:vloc : 161.05s CPU 164.01s WALL ( 17205 calls) h_psi:vnl : 27.06s CPU 27.26s WALL ( 17205 calls) add_vuspsi : 14.20s CPU 14.11s WALL ( 17205 calls) General routines calbec : 12.81s CPU 13.11s WALL ( 17205 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 141.61s CPU 144.34s WALL ( 1436104 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.22s CPU 0.26s WALL ( 596 calls) Parallel routines fft_scatter : 45.02s CPU 45.42s WALL ( 1436127 calls) PWSCF : 6m58.87s CPU 7m18.56s WALL This run was terminated on: 17: 1:30 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=