Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21: 1:25 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: ./SrxSbO3x2.save/ 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 61 35 10 2381 1047 164 Max 62 36 11 2388 1066 167 Sum 2221 1285 367 85871 37929 5945 bravais-lattice index = 14 lattice parameter (alat) = 9.9634 a.u. unit-cell volume = 871.7389 (a.u.)^3 number of atoms/cell = 9 number of atomic types = 3 number of electrons = 56.00 number of Kohn-Sham states= 68 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.963391 celldm(2)= 1.000000 celldm(3)= 1.017734 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 1.017734 ) 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 0.982575 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Sb read from file: /users/gautes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Sr read from file: /users/gautes/Pseudo/Sr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 971034ad0a3914f6282d12395b0824f8 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1221 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Sb 5.00 121.76000 Sb( 1.00) Sr 10.00 87.62000 Sr( 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= 289 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034602 k( 2) = ( 0.0142857 0.0082479 -0.0000000), wk = 0.0034602 k( 3) = ( 0.0285714 0.0164957 -0.0000000), wk = 0.0034602 k( 4) = ( 0.0428571 0.0247436 -0.0000000), wk = 0.0034602 k( 5) = ( 0.0571429 0.0329914 -0.0000000), wk = 0.0034602 k( 6) = ( 0.0714286 0.0412393 -0.0000000), wk = 0.0034602 k( 7) = ( 0.0857143 0.0494872 -0.0000000), wk = 0.0034602 k( 8) = ( 0.1000000 0.0577350 -0.0000000), wk = 0.0034602 k( 9) = ( 0.1142857 0.0659829 -0.0000000), wk = 0.0034602 k( 10) = ( 0.1285714 0.0742307 -0.0000000), wk = 0.0034602 k( 11) = ( 0.1428571 0.0824786 -0.0000000), wk = 0.0034602 k( 12) = ( 0.1571429 0.0907265 -0.0000000), wk = 0.0034602 k( 13) = ( 0.1714286 0.0989743 -0.0000000), wk = 0.0034602 k( 14) = ( 0.1857143 0.1072222 -0.0000000), wk = 0.0034602 k( 15) = ( 0.2000000 0.1154701 -0.0000000), wk = 0.0034602 k( 16) = ( 0.2142857 0.1237179 -0.0000000), wk = 0.0034602 k( 17) = ( 0.2285714 0.1319658 -0.0000000), wk = 0.0034602 k( 18) = ( 0.2428571 0.1402136 -0.0000000), wk = 0.0034602 k( 19) = ( 0.2571429 0.1484615 -0.0000000), wk = 0.0034602 k( 20) = ( 0.2714286 0.1567094 -0.0000000), wk = 0.0034602 k( 21) = ( 0.2857143 0.1649572 -0.0000000), wk = 0.0034602 k( 22) = ( 0.3000000 0.1732051 -0.0000000), wk = 0.0034602 k( 23) = ( 0.3142857 0.1814529 -0.0000000), wk = 0.0034602 k( 24) = ( 0.3285714 0.1897008 -0.0000000), wk = 0.0034602 k( 25) = ( 0.3428571 0.1979487 -0.0000000), wk = 0.0034602 k( 26) = ( 0.3571429 0.2061965 -0.0000000), wk = 0.0034602 k( 27) = ( 0.3714286 0.2144444 -0.0000000), wk = 0.0034602 k( 28) = ( 0.3857143 0.2226922 -0.0000000), wk = 0.0034602 k( 29) = ( 0.4000000 0.2309401 -0.0000000), wk = 0.0034602 k( 30) = ( 0.4142857 0.2391880 -0.0000000), wk = 0.0034602 k( 31) = ( 0.4285714 0.2474358 -0.0000000), wk = 0.0034602 k( 32) = ( 0.4428571 0.2556837 -0.0000000), wk = 0.0034602 k( 33) = ( 0.4571429 0.2639316 -0.0000000), wk = 0.0034602 k( 34) = ( 0.4714286 0.2721794 -0.0000000), wk = 0.0034602 k( 35) = ( 0.4857143 0.2804273 -0.0000000), wk = 0.0034602 k( 36) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0034602 k( 37) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0034602 k( 38) = ( 0.4916667 0.3031089 -0.0000000), wk = 0.0034602 k( 39) = ( 0.4833333 0.3175426 -0.0000000), wk = 0.0034602 k( 40) = ( 0.4750000 0.3319764 -0.0000000), wk = 0.0034602 k( 41) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0034602 k( 42) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0034602 k( 43) = ( 0.4500000 0.3752777 -0.0000000), wk = 0.0034602 k( 44) = ( 0.4416667 0.3897114 -0.0000000), wk = 0.0034602 k( 45) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0034602 k( 46) = ( 0.4250000 0.4185789 -0.0000000), wk = 0.0034602 k( 47) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0034602 k( 48) = ( 0.4083333 0.4474465 -0.0000000), wk = 0.0034602 k( 49) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0034602 k( 50) = ( 0.3916667 0.4763140 -0.0000000), wk = 0.0034602 k( 51) = ( 0.3833333 0.4907477 -0.0000000), wk = 0.0034602 k( 52) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0034602 k( 53) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0034602 k( 54) = ( 0.3583333 0.5340490 -0.0000000), wk = 0.0034602 k( 55) = ( 0.3500000 0.5484828 -0.0000000), wk = 0.0034602 k( 56) = ( 0.3416667 0.5629165 -0.0000000), wk = 0.0034602 k( 57) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0034602 k( 58) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0034602 k( 59) = ( 0.3250000 0.5629165 -0.0000000), wk = 0.0034602 k( 60) = ( 0.3166667 0.5484828 -0.0000000), wk = 0.0034602 k( 61) = ( 0.3083333 0.5340490 -0.0000000), wk = 0.0034602 k( 62) = ( 0.3000000 0.5196152 -0.0000000), wk = 0.0034602 k( 63) = ( 0.2916667 0.5051815 -0.0000000), wk = 0.0034602 k( 64) = ( 0.2833333 0.4907477 -0.0000000), wk = 0.0034602 k( 65) = ( 0.2750000 0.4763140 -0.0000000), wk = 0.0034602 k( 66) = ( 0.2666667 0.4618802 -0.0000000), wk = 0.0034602 k( 67) = ( 0.2583333 0.4474465 -0.0000000), wk = 0.0034602 k( 68) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0034602 k( 69) = ( 0.2416667 0.4185790 -0.0000000), wk = 0.0034602 k( 70) = ( 0.2333333 0.4041452 -0.0000000), wk = 0.0034602 k( 71) = ( 0.2250000 0.3897114 -0.0000000), wk = 0.0034602 k( 72) = ( 0.2166667 0.3752777 -0.0000000), wk = 0.0034602 k( 73) = ( 0.2083333 0.3608439 -0.0000000), wk = 0.0034602 k( 74) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0034602 k( 75) = ( 0.1916667 0.3319764 -0.0000000), wk = 0.0034602 k( 76) = ( 0.1833333 0.3175426 -0.0000000), wk = 0.0034602 k( 77) = ( 0.1750000 0.3031089 -0.0000000), wk = 0.0034602 k( 78) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0034602 k( 79) = ( 0.1583333 0.2742414 -0.0000000), wk = 0.0034602 k( 80) = ( 0.1500000 0.2598076 -0.0000000), wk = 0.0034602 k( 81) = ( 0.1416667 0.2453739 -0.0000000), wk = 0.0034602 k( 82) = ( 0.1333333 0.2309401 -0.0000000), wk = 0.0034602 k( 83) = ( 0.1250000 0.2165064 -0.0000000), wk = 0.0034602 k( 84) = ( 0.1166667 0.2020726 -0.0000000), wk = 0.0034602 k( 85) = ( 0.1083333 0.1876388 -0.0000000), wk = 0.0034602 k( 86) = ( 0.1000000 0.1732051 -0.0000000), wk = 0.0034602 k( 87) = ( 0.0916667 0.1587713 -0.0000000), wk = 0.0034602 k( 88) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0034602 k( 89) = ( 0.0750000 0.1299038 -0.0000000), wk = 0.0034602 k( 90) = ( 0.0666667 0.1154701 -0.0000000), wk = 0.0034602 k( 91) = ( 0.0583333 0.1010363 -0.0000000), wk = 0.0034602 k( 92) = ( 0.0500000 0.0866025 -0.0000000), wk = 0.0034602 k( 93) = ( 0.0416667 0.0721688 -0.0000000), wk = 0.0034602 k( 94) = ( 0.0333333 0.0577350 -0.0000000), wk = 0.0034602 k( 95) = ( 0.0250000 0.0433013 -0.0000000), wk = 0.0034602 k( 96) = ( 0.0166667 0.0288675 -0.0000000), wk = 0.0034602 k( 97) = ( 0.0083333 0.0144338 -0.0000000), wk = 0.0034602 k( 98) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034602 k( 99) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034602 k( 100) = ( 0.0000000 0.0000000 0.0163763), wk = 0.0034602 k( 101) = ( 0.0000000 0.0000000 0.0327525), wk = 0.0034602 k( 102) = ( 0.0000000 0.0000000 0.0491288), wk = 0.0034602 k( 103) = ( 0.0000000 0.0000000 0.0655050), wk = 0.0034602 k( 104) = ( 0.0000000 0.0000000 0.0818813), wk = 0.0034602 k( 105) = ( 0.0000000 0.0000000 0.0982575), wk = 0.0034602 k( 106) = ( 0.0000000 0.0000000 0.1146338), wk = 0.0034602 k( 107) = ( 0.0000000 0.0000000 0.1310100), wk = 0.0034602 k( 108) = ( 0.0000000 0.0000000 0.1473863), wk = 0.0034602 k( 109) = ( 0.0000000 0.0000000 0.1637625), wk = 0.0034602 k( 110) = ( 0.0000000 0.0000000 0.1801388), wk = 0.0034602 k( 111) = ( 0.0000000 0.0000000 0.1965150), wk = 0.0034602 k( 112) = ( 0.0000000 0.0000000 0.2128913), wk = 0.0034602 k( 113) = ( 0.0000000 0.0000000 0.2292675), wk = 0.0034602 k( 114) = ( 0.0000000 0.0000000 0.2456438), wk = 0.0034602 k( 115) = ( 0.0000000 0.0000000 0.2620200), wk = 0.0034602 k( 116) = ( 0.0000000 0.0000000 0.2783963), wk = 0.0034602 k( 117) = ( 0.0000000 0.0000000 0.2947725), wk = 0.0034602 k( 118) = ( 0.0000000 0.0000000 0.3111488), wk = 0.0034602 k( 119) = ( 0.0000000 0.0000000 0.3275250), wk = 0.0034602 k( 120) = ( 0.0000000 0.0000000 0.3439013), wk = 0.0034602 k( 121) = ( 0.0000000 0.0000000 0.3602776), wk = 0.0034602 k( 122) = ( 0.0000000 0.0000000 0.3766538), wk = 0.0034602 k( 123) = ( 0.0000000 0.0000000 0.3930301), wk = 0.0034602 k( 124) = ( 0.0000000 0.0000000 0.4094063), wk = 0.0034602 k( 125) = ( 0.0000000 0.0000000 0.4257826), wk = 0.0034602 k( 126) = ( 0.0000000 0.0000000 0.4421588), wk = 0.0034602 k( 127) = ( 0.0000000 0.0000000 0.4585351), wk = 0.0034602 k( 128) = ( 0.0000000 0.0000000 0.4749113), wk = 0.0034602 k( 129) = ( 0.0000000 0.0000000 0.4912876), wk = 0.0034602 k( 130) = ( 0.0000000 0.0000000 0.4912876), wk = 0.0034602 k( 131) = ( 0.0142857 0.0082479 0.4912876), wk = 0.0034602 k( 132) = ( 0.0285714 0.0164957 0.4912876), wk = 0.0034602 k( 133) = ( 0.0428571 0.0247436 0.4912876), wk = 0.0034602 k( 134) = ( 0.0571429 0.0329914 0.4912876), wk = 0.0034602 k( 135) = ( 0.0714286 0.0412393 0.4912876), wk = 0.0034602 k( 136) = ( 0.0857143 0.0494872 0.4912876), wk = 0.0034602 k( 137) = ( 0.1000000 0.0577350 0.4912876), wk = 0.0034602 k( 138) = ( 0.1142857 0.0659829 0.4912876), wk = 0.0034602 k( 139) = ( 0.1285714 0.0742307 0.4912876), wk = 0.0034602 k( 140) = ( 0.1428571 0.0824786 0.4912876), wk = 0.0034602 k( 141) = ( 0.1571429 0.0907265 0.4912876), wk = 0.0034602 k( 142) = ( 0.1714286 0.0989743 0.4912876), wk = 0.0034602 k( 143) = ( 0.1857143 0.1072222 0.4912876), wk = 0.0034602 k( 144) = ( 0.2000000 0.1154701 0.4912876), wk = 0.0034602 k( 145) = ( 0.2142857 0.1237179 0.4912876), wk = 0.0034602 k( 146) = ( 0.2285714 0.1319658 0.4912876), wk = 0.0034602 k( 147) = ( 0.2428571 0.1402136 0.4912876), wk = 0.0034602 k( 148) = ( 0.2571429 0.1484615 0.4912876), wk = 0.0034602 k( 149) = ( 0.2714286 0.1567094 0.4912876), wk = 0.0034602 k( 150) = ( 0.2857143 0.1649572 0.4912876), wk = 0.0034602 k( 151) = ( 0.3000000 0.1732051 0.4912876), wk = 0.0034602 k( 152) = ( 0.3142857 0.1814529 0.4912876), wk = 0.0034602 k( 153) = ( 0.3285714 0.1897008 0.4912876), wk = 0.0034602 k( 154) = ( 0.3428571 0.1979487 0.4912876), wk = 0.0034602 k( 155) = ( 0.3571429 0.2061965 0.4912876), wk = 0.0034602 k( 156) = ( 0.3714286 0.2144444 0.4912876), wk = 0.0034602 k( 157) = ( 0.3857143 0.2226922 0.4912876), wk = 0.0034602 k( 158) = ( 0.4000000 0.2309401 0.4912876), wk = 0.0034602 k( 159) = ( 0.4142857 0.2391880 0.4912876), wk = 0.0034602 k( 160) = ( 0.4285714 0.2474358 0.4912876), wk = 0.0034602 k( 161) = ( 0.4428571 0.2556837 0.4912876), wk = 0.0034602 k( 162) = ( 0.4571429 0.2639316 0.4912876), wk = 0.0034602 k( 163) = ( 0.4714286 0.2721794 0.4912876), wk = 0.0034602 k( 164) = ( 0.4857143 0.2804273 0.4912876), wk = 0.0034602 k( 165) = ( 0.5000000 0.2886751 0.4912876), wk = 0.0034602 k( 166) = ( 0.5000000 0.2886751 0.4912876), wk = 0.0034602 k( 167) = ( 0.4916667 0.3031089 0.4912876), wk = 0.0034602 k( 168) = ( 0.4833333 0.3175426 0.4912876), wk = 0.0034602 k( 169) = ( 0.4750000 0.3319764 0.4912876), wk = 0.0034602 k( 170) = ( 0.4666667 0.3464102 0.4912876), wk = 0.0034602 k( 171) = ( 0.4583333 0.3608439 0.4912876), wk = 0.0034602 k( 172) = ( 0.4500000 0.3752777 0.4912876), wk = 0.0034602 k( 173) = ( 0.4416667 0.3897114 0.4912876), wk = 0.0034602 k( 174) = ( 0.4333333 0.4041452 0.4912876), wk = 0.0034602 k( 175) = ( 0.4250000 0.4185789 0.4912876), wk = 0.0034602 k( 176) = ( 0.4166667 0.4330127 0.4912876), wk = 0.0034602 k( 177) = ( 0.4083333 0.4474465 0.4912876), wk = 0.0034602 k( 178) = ( 0.4000000 0.4618802 0.4912876), wk = 0.0034602 k( 179) = ( 0.3916667 0.4763140 0.4912876), wk = 0.0034602 k( 180) = ( 0.3833333 0.4907477 0.4912876), wk = 0.0034602 k( 181) = ( 0.3750000 0.5051815 0.4912876), wk = 0.0034602 k( 182) = ( 0.3666667 0.5196152 0.4912876), wk = 0.0034602 k( 183) = ( 0.3583333 0.5340490 0.4912876), wk = 0.0034602 k( 184) = ( 0.3500000 0.5484828 0.4912876), wk = 0.0034602 k( 185) = ( 0.3416667 0.5629165 0.4912876), wk = 0.0034602 k( 186) = ( 0.3333333 0.5773503 0.4912876), wk = 0.0034602 k( 187) = ( 0.3333333 0.5773503 0.4912876), wk = 0.0034602 k( 188) = ( 0.3250000 0.5629165 0.4912876), wk = 0.0034602 k( 189) = ( 0.3166667 0.5484828 0.4912876), wk = 0.0034602 k( 190) = ( 0.3083333 0.5340490 0.4912876), wk = 0.0034602 k( 191) = ( 0.3000000 0.5196152 0.4912876), wk = 0.0034602 k( 192) = ( 0.2916667 0.5051815 0.4912876), wk = 0.0034602 k( 193) = ( 0.2833333 0.4907477 0.4912876), wk = 0.0034602 k( 194) = ( 0.2750000 0.4763140 0.4912876), wk = 0.0034602 k( 195) = ( 0.2666667 0.4618802 0.4912876), wk = 0.0034602 k( 196) = ( 0.2583333 0.4474465 0.4912876), wk = 0.0034602 k( 197) = ( 0.2500000 0.4330127 0.4912876), wk = 0.0034602 k( 198) = ( 0.2416667 0.4185790 0.4912876), wk = 0.0034602 k( 199) = ( 0.2333333 0.4041452 0.4912876), wk = 0.0034602 k( 200) = ( 0.2250000 0.3897114 0.4912876), wk = 0.0034602 k( 201) = ( 0.2166667 0.3752777 0.4912876), wk = 0.0034602 k( 202) = ( 0.2083333 0.3608439 0.4912876), wk = 0.0034602 k( 203) = ( 0.2000000 0.3464102 0.4912876), wk = 0.0034602 k( 204) = ( 0.1916667 0.3319764 0.4912876), wk = 0.0034602 k( 205) = ( 0.1833333 0.3175426 0.4912876), wk = 0.0034602 k( 206) = ( 0.1750000 0.3031089 0.4912876), wk = 0.0034602 k( 207) = ( 0.1666667 0.2886751 0.4912876), wk = 0.0034602 k( 208) = ( 0.1583333 0.2742414 0.4912876), wk = 0.0034602 k( 209) = ( 0.1500000 0.2598076 0.4912876), wk = 0.0034602 k( 210) = ( 0.1416667 0.2453739 0.4912876), wk = 0.0034602 k( 211) = ( 0.1333333 0.2309401 0.4912876), wk = 0.0034602 k( 212) = ( 0.1250000 0.2165064 0.4912876), wk = 0.0034602 k( 213) = ( 0.1166667 0.2020726 0.4912876), wk = 0.0034602 k( 214) = ( 0.1083333 0.1876388 0.4912876), wk = 0.0034602 k( 215) = ( 0.1000000 0.1732051 0.4912876), wk = 0.0034602 k( 216) = ( 0.0916667 0.1587713 0.4912876), wk = 0.0034602 k( 217) = ( 0.0833333 0.1443376 0.4912876), wk = 0.0034602 k( 218) = ( 0.0750000 0.1299038 0.4912876), wk = 0.0034602 k( 219) = ( 0.0666667 0.1154701 0.4912876), wk = 0.0034602 k( 220) = ( 0.0583333 0.1010363 0.4912876), wk = 0.0034602 k( 221) = ( 0.0500000 0.0866025 0.4912876), wk = 0.0034602 k( 222) = ( 0.0416667 0.0721688 0.4912876), wk = 0.0034602 k( 223) = ( 0.0333333 0.0577350 0.4912876), wk = 0.0034602 k( 224) = ( 0.0250000 0.0433013 0.4912876), wk = 0.0034602 k( 225) = ( 0.0166667 0.0288675 0.4912876), wk = 0.0034602 k( 226) = ( 0.0083333 0.0144338 0.4912876), wk = 0.0034602 k( 227) = ( 0.0000000 0.0000000 0.4912876), wk = 0.0034602 k( 228) = ( 0.5000000 0.2886751 0.4912876), wk = 0.0034602 k( 229) = ( 0.5000000 0.2886751 0.4749113), wk = 0.0034602 k( 230) = ( 0.5000000 0.2886751 0.4585351), wk = 0.0034602 k( 231) = ( 0.5000000 0.2886751 0.4421588), wk = 0.0034602 k( 232) = ( 0.5000000 0.2886751 0.4257826), wk = 0.0034602 k( 233) = ( 0.5000000 0.2886751 0.4094063), wk = 0.0034602 k( 234) = ( 0.5000000 0.2886751 0.3930301), wk = 0.0034602 k( 235) = ( 0.5000000 0.2886751 0.3766538), wk = 0.0034602 k( 236) = ( 0.5000000 0.2886751 0.3602776), wk = 0.0034602 k( 237) = ( 0.5000000 0.2886751 0.3439013), wk = 0.0034602 k( 238) = ( 0.5000000 0.2886751 0.3275250), wk = 0.0034602 k( 239) = ( 0.5000000 0.2886751 0.3111488), wk = 0.0034602 k( 240) = ( 0.5000000 0.2886751 0.2947725), wk = 0.0034602 k( 241) = ( 0.5000000 0.2886751 0.2783963), wk = 0.0034602 k( 242) = ( 0.5000000 0.2886751 0.2620200), wk = 0.0034602 k( 243) = ( 0.5000000 0.2886751 0.2456438), wk = 0.0034602 k( 244) = ( 0.5000000 0.2886751 0.2292675), wk = 0.0034602 k( 245) = ( 0.5000000 0.2886751 0.2128913), wk = 0.0034602 k( 246) = ( 0.5000000 0.2886751 0.1965150), wk = 0.0034602 k( 247) = ( 0.5000000 0.2886751 0.1801388), wk = 0.0034602 k( 248) = ( 0.5000000 0.2886751 0.1637625), wk = 0.0034602 k( 249) = ( 0.5000000 0.2886751 0.1473863), wk = 0.0034602 k( 250) = ( 0.5000000 0.2886751 0.1310100), wk = 0.0034602 k( 251) = ( 0.5000000 0.2886751 0.1146338), wk = 0.0034602 k( 252) = ( 0.5000000 0.2886751 0.0982575), wk = 0.0034602 k( 253) = ( 0.5000000 0.2886751 0.0818813), wk = 0.0034602 k( 254) = ( 0.5000000 0.2886751 0.0655050), wk = 0.0034602 k( 255) = ( 0.5000000 0.2886751 0.0491288), wk = 0.0034602 k( 256) = ( 0.5000000 0.2886751 0.0327525), wk = 0.0034602 k( 257) = ( 0.5000000 0.2886751 0.0163763), wk = 0.0034602 k( 258) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0034602 k( 259) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0034602 k( 260) = ( 0.3333333 0.5773503 0.0163763), wk = 0.0034602 k( 261) = ( 0.3333333 0.5773503 0.0327525), wk = 0.0034602 k( 262) = ( 0.3333333 0.5773503 0.0491288), wk = 0.0034602 k( 263) = ( 0.3333333 0.5773503 0.0655050), wk = 0.0034602 k( 264) = ( 0.3333333 0.5773503 0.0818813), wk = 0.0034602 k( 265) = ( 0.3333333 0.5773503 0.0982575), wk = 0.0034602 k( 266) = ( 0.3333333 0.5773503 0.1146338), wk = 0.0034602 k( 267) = ( 0.3333333 0.5773503 0.1310100), wk = 0.0034602 k( 268) = ( 0.3333333 0.5773503 0.1473863), wk = 0.0034602 k( 269) = ( 0.3333333 0.5773503 0.1637625), wk = 0.0034602 k( 270) = ( 0.3333333 0.5773503 0.1801388), wk = 0.0034602 k( 271) = ( 0.3333333 0.5773503 0.1965150), wk = 0.0034602 k( 272) = ( 0.3333333 0.5773503 0.2128913), wk = 0.0034602 k( 273) = ( 0.3333333 0.5773503 0.2292675), wk = 0.0034602 k( 274) = ( 0.3333333 0.5773503 0.2456438), wk = 0.0034602 k( 275) = ( 0.3333333 0.5773503 0.2620200), wk = 0.0034602 k( 276) = ( 0.3333333 0.5773503 0.2783963), wk = 0.0034602 k( 277) = ( 0.3333333 0.5773503 0.2947725), wk = 0.0034602 k( 278) = ( 0.3333333 0.5773503 0.3111488), wk = 0.0034602 k( 279) = ( 0.3333333 0.5773503 0.3275250), wk = 0.0034602 k( 280) = ( 0.3333333 0.5773503 0.3439013), wk = 0.0034602 k( 281) = ( 0.3333333 0.5773503 0.3602776), wk = 0.0034602 k( 282) = ( 0.3333333 0.5773503 0.3766538), wk = 0.0034602 k( 283) = ( 0.3333333 0.5773503 0.3930301), wk = 0.0034602 k( 284) = ( 0.3333333 0.5773503 0.4094063), wk = 0.0034602 k( 285) = ( 0.3333333 0.5773503 0.4257826), wk = 0.0034602 k( 286) = ( 0.3333333 0.5773503 0.4421588), wk = 0.0034602 k( 287) = ( 0.3333333 0.5773503 0.4585351), wk = 0.0034602 k( 288) = ( 0.3333333 0.5773503 0.4749113), wk = 0.0034602 k( 289) = ( 0.3333333 0.5773503 0.4912876), wk = 0.0034602 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034602 k( 2) = ( 0.0142857 0.0000000 -0.0000000), wk = 0.0034602 k( 3) = ( 0.0285714 0.0000000 -0.0000000), wk = 0.0034602 k( 4) = ( 0.0428571 0.0000000 0.0000000), wk = 0.0034602 k( 5) = ( 0.0571429 0.0000000 -0.0000000), wk = 0.0034602 k( 6) = ( 0.0714286 -0.0000000 -0.0000000), wk = 0.0034602 k( 7) = ( 0.0857143 0.0000000 -0.0000000), wk = 0.0034602 k( 8) = ( 0.1000000 -0.0000000 -0.0000000), wk = 0.0034602 k( 9) = ( 0.1142857 -0.0000000 -0.0000000), wk = 0.0034602 k( 10) = ( 0.1285714 -0.0000000 -0.0000000), wk = 0.0034602 k( 11) = ( 0.1428571 -0.0000000 -0.0000000), wk = 0.0034602 k( 12) = ( 0.1571429 0.0000000 -0.0000000), wk = 0.0034602 k( 13) = ( 0.1714286 0.0000000 0.0000000), wk = 0.0034602 k( 14) = ( 0.1857143 0.0000000 0.0000000), wk = 0.0034602 k( 15) = ( 0.2000000 -0.0000000 -0.0000000), wk = 0.0034602 k( 16) = ( 0.2142857 0.0000000 -0.0000000), wk = 0.0034602 k( 17) = ( 0.2285714 0.0000000 -0.0000000), wk = 0.0034602 k( 18) = ( 0.2428571 0.0000000 -0.0000000), wk = 0.0034602 k( 19) = ( 0.2571429 -0.0000000 -0.0000000), wk = 0.0034602 k( 20) = ( 0.2714286 -0.0000000 -0.0000000), wk = 0.0034602 k( 21) = ( 0.2857143 0.0000000 -0.0000000), wk = 0.0034602 k( 22) = ( 0.3000000 0.0000000 -0.0000000), wk = 0.0034602 k( 23) = ( 0.3142857 -0.0000000 -0.0000000), wk = 0.0034602 k( 24) = ( 0.3285714 0.0000000 -0.0000000), wk = 0.0034602 k( 25) = ( 0.3428571 0.0000000 0.0000000), wk = 0.0034602 k( 26) = ( 0.3571429 0.0000000 -0.0000000), wk = 0.0034602 k( 27) = ( 0.3714286 0.0000000 0.0000000), wk = 0.0034602 k( 28) = ( 0.3857143 -0.0000000 -0.0000000), wk = 0.0034602 k( 29) = ( 0.4000000 -0.0000000 -0.0000000), wk = 0.0034602 k( 30) = ( 0.4142857 -0.0000000 -0.0000000), wk = 0.0034602 k( 31) = ( 0.4285714 -0.0000000 -0.0000000), wk = 0.0034602 k( 32) = ( 0.4428571 0.0000000 -0.0000000), wk = 0.0034602 k( 33) = ( 0.4571429 0.0000000 -0.0000000), wk = 0.0034602 k( 34) = ( 0.4714286 -0.0000000 -0.0000000), wk = 0.0034602 k( 35) = ( 0.4857143 0.0000000 -0.0000000), wk = 0.0034602 k( 36) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0034602 k( 37) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0034602 k( 38) = ( 0.4916667 0.0166667 -0.0000000), wk = 0.0034602 k( 39) = ( 0.4833333 0.0333333 -0.0000000), wk = 0.0034602 k( 40) = ( 0.4750000 0.0500000 -0.0000000), wk = 0.0034602 k( 41) = ( 0.4666667 0.0666667 -0.0000000), wk = 0.0034602 k( 42) = ( 0.4583333 0.0833333 -0.0000000), wk = 0.0034602 k( 43) = ( 0.4500000 0.1000000 0.0000000), wk = 0.0034602 k( 44) = ( 0.4416667 0.1166667 0.0000000), wk = 0.0034602 k( 45) = ( 0.4333333 0.1333333 -0.0000000), wk = 0.0034602 k( 46) = ( 0.4250000 0.1500000 0.0000000), wk = 0.0034602 k( 47) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0034602 k( 48) = ( 0.4083333 0.1833333 -0.0000000), wk = 0.0034602 k( 49) = ( 0.4000000 0.2000000 0.0000000), wk = 0.0034602 k( 50) = ( 0.3916667 0.2166667 -0.0000000), wk = 0.0034602 k( 51) = ( 0.3833333 0.2333333 -0.0000000), wk = 0.0034602 k( 52) = ( 0.3750000 0.2500000 -0.0000000), wk = 0.0034602 k( 53) = ( 0.3666667 0.2666667 -0.0000000), wk = 0.0034602 k( 54) = ( 0.3583333 0.2833333 0.0000000), wk = 0.0034602 k( 55) = ( 0.3500000 0.3000000 -0.0000000), wk = 0.0034602 k( 56) = ( 0.3416667 0.3166667 0.0000000), wk = 0.0034602 k( 57) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0034602 k( 58) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0034602 k( 59) = ( 0.3250000 0.3250000 -0.0000000), wk = 0.0034602 k( 60) = ( 0.3166667 0.3166667 -0.0000000), wk = 0.0034602 k( 61) = ( 0.3083333 0.3083333 0.0000000), wk = 0.0034602 k( 62) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0034602 k( 63) = ( 0.2916667 0.2916667 -0.0000000), wk = 0.0034602 k( 64) = ( 0.2833333 0.2833333 -0.0000000), wk = 0.0034602 k( 65) = ( 0.2750000 0.2750000 0.0000000), wk = 0.0034602 k( 66) = ( 0.2666667 0.2666667 0.0000000), wk = 0.0034602 k( 67) = ( 0.2583333 0.2583333 -0.0000000), wk = 0.0034602 k( 68) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0034602 k( 69) = ( 0.2416667 0.2416667 -0.0000000), wk = 0.0034602 k( 70) = ( 0.2333333 0.2333333 -0.0000000), wk = 0.0034602 k( 71) = ( 0.2250000 0.2250000 -0.0000000), wk = 0.0034602 k( 72) = ( 0.2166667 0.2166667 0.0000000), wk = 0.0034602 k( 73) = ( 0.2083333 0.2083333 -0.0000000), wk = 0.0034602 k( 74) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0034602 k( 75) = ( 0.1916667 0.1916667 0.0000000), wk = 0.0034602 k( 76) = ( 0.1833333 0.1833333 0.0000000), wk = 0.0034602 k( 77) = ( 0.1750000 0.1750000 -0.0000000), wk = 0.0034602 k( 78) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0034602 k( 79) = ( 0.1583333 0.1583333 0.0000000), wk = 0.0034602 k( 80) = ( 0.1500000 0.1500000 -0.0000000), wk = 0.0034602 k( 81) = ( 0.1416667 0.1416667 -0.0000000), wk = 0.0034602 k( 82) = ( 0.1333333 0.1333333 -0.0000000), wk = 0.0034602 k( 83) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0034602 k( 84) = ( 0.1166667 0.1166667 0.0000000), wk = 0.0034602 k( 85) = ( 0.1083333 0.1083333 -0.0000000), wk = 0.0034602 k( 86) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0034602 k( 87) = ( 0.0916667 0.0916667 -0.0000000), wk = 0.0034602 k( 88) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0034602 k( 89) = ( 0.0750000 0.0750000 -0.0000000), wk = 0.0034602 k( 90) = ( 0.0666667 0.0666667 -0.0000000), wk = 0.0034602 k( 91) = ( 0.0583333 0.0583333 0.0000000), wk = 0.0034602 k( 92) = ( 0.0500000 0.0500000 0.0000000), wk = 0.0034602 k( 93) = ( 0.0416667 0.0416667 -0.0000000), wk = 0.0034602 k( 94) = ( 0.0333333 0.0333333 0.0000000), wk = 0.0034602 k( 95) = ( 0.0250000 0.0250000 0.0000000), wk = 0.0034602 k( 96) = ( 0.0166667 0.0166667 -0.0000000), wk = 0.0034602 k( 97) = ( 0.0083333 0.0083333 0.0000000), wk = 0.0034602 k( 98) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034602 k( 99) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034602 k( 100) = ( 0.0000000 0.0000000 0.0166667), wk = 0.0034602 k( 101) = ( 0.0000000 0.0000000 0.0333333), wk = 0.0034602 k( 102) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0034602 k( 103) = ( 0.0000000 0.0000000 0.0666667), wk = 0.0034602 k( 104) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0034602 k( 105) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0034602 k( 106) = ( 0.0000000 0.0000000 0.1166667), wk = 0.0034602 k( 107) = ( 0.0000000 0.0000000 0.1333333), wk = 0.0034602 k( 108) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0034602 k( 109) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0034602 k( 110) = ( 0.0000000 0.0000000 0.1833333), wk = 0.0034602 k( 111) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0034602 k( 112) = ( 0.0000000 0.0000000 0.2166667), wk = 0.0034602 k( 113) = ( 0.0000000 0.0000000 0.2333333), wk = 0.0034602 k( 114) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0034602 k( 115) = ( 0.0000000 0.0000000 0.2666667), wk = 0.0034602 k( 116) = ( 0.0000000 0.0000000 0.2833333), wk = 0.0034602 k( 117) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0034602 k( 118) = ( 0.0000000 0.0000000 0.3166667), wk = 0.0034602 k( 119) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0034602 k( 120) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0034602 k( 121) = ( 0.0000000 0.0000000 0.3666667), wk = 0.0034602 k( 122) = ( 0.0000000 0.0000000 0.3833333), wk = 0.0034602 k( 123) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0034602 k( 124) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0034602 k( 125) = ( 0.0000000 0.0000000 0.4333333), wk = 0.0034602 k( 126) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0034602 k( 127) = ( 0.0000000 0.0000000 0.4666667), wk = 0.0034602 k( 128) = ( 0.0000000 0.0000000 0.4833333), wk = 0.0034602 k( 129) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034602 k( 130) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034602 k( 131) = ( 0.0142857 0.0000000 0.5000000), wk = 0.0034602 k( 132) = ( 0.0285714 0.0000000 0.5000000), wk = 0.0034602 k( 133) = ( 0.0428571 0.0000000 0.5000000), wk = 0.0034602 k( 134) = ( 0.0571429 0.0000000 0.5000000), wk = 0.0034602 k( 135) = ( 0.0714286 -0.0000000 0.5000000), wk = 0.0034602 k( 136) = ( 0.0857143 0.0000000 0.5000000), wk = 0.0034602 k( 137) = ( 0.1000000 -0.0000000 0.5000000), wk = 0.0034602 k( 138) = ( 0.1142857 -0.0000000 0.5000000), wk = 0.0034602 k( 139) = ( 0.1285714 -0.0000000 0.5000000), wk = 0.0034602 k( 140) = ( 0.1428571 -0.0000000 0.5000000), wk = 0.0034602 k( 141) = ( 0.1571429 0.0000000 0.5000000), wk = 0.0034602 k( 142) = ( 0.1714286 0.0000000 0.5000000), wk = 0.0034602 k( 143) = ( 0.1857143 0.0000000 0.5000000), wk = 0.0034602 k( 144) = ( 0.2000000 -0.0000000 0.5000000), wk = 0.0034602 k( 145) = ( 0.2142857 0.0000000 0.5000000), wk = 0.0034602 k( 146) = ( 0.2285714 0.0000000 0.5000000), wk = 0.0034602 k( 147) = ( 0.2428571 0.0000000 0.5000000), wk = 0.0034602 k( 148) = ( 0.2571429 -0.0000000 0.5000000), wk = 0.0034602 k( 149) = ( 0.2714286 -0.0000000 0.5000000), wk = 0.0034602 k( 150) = ( 0.2857143 0.0000000 0.5000000), wk = 0.0034602 k( 151) = ( 0.3000000 0.0000000 0.5000000), wk = 0.0034602 k( 152) = ( 0.3142857 -0.0000000 0.5000000), wk = 0.0034602 k( 153) = ( 0.3285714 0.0000000 0.5000000), wk = 0.0034602 k( 154) = ( 0.3428571 0.0000000 0.5000000), wk = 0.0034602 k( 155) = ( 0.3571429 0.0000000 0.5000000), wk = 0.0034602 k( 156) = ( 0.3714286 0.0000000 0.5000000), wk = 0.0034602 k( 157) = ( 0.3857143 -0.0000000 0.5000000), wk = 0.0034602 k( 158) = ( 0.4000000 -0.0000000 0.5000000), wk = 0.0034602 k( 159) = ( 0.4142857 -0.0000000 0.5000000), wk = 0.0034602 k( 160) = ( 0.4285714 -0.0000000 0.5000000), wk = 0.0034602 k( 161) = ( 0.4428571 0.0000000 0.5000000), wk = 0.0034602 k( 162) = ( 0.4571429 0.0000000 0.5000000), wk = 0.0034602 k( 163) = ( 0.4714286 -0.0000000 0.5000000), wk = 0.0034602 k( 164) = ( 0.4857143 0.0000000 0.5000000), wk = 0.0034602 k( 165) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0034602 k( 166) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0034602 k( 167) = ( 0.4916667 0.0166667 0.5000000), wk = 0.0034602 k( 168) = ( 0.4833333 0.0333333 0.5000000), wk = 0.0034602 k( 169) = ( 0.4750000 0.0500000 0.5000000), wk = 0.0034602 k( 170) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0034602 k( 171) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0034602 k( 172) = ( 0.4500000 0.1000000 0.5000000), wk = 0.0034602 k( 173) = ( 0.4416667 0.1166667 0.5000000), wk = 0.0034602 k( 174) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0034602 k( 175) = ( 0.4250000 0.1500000 0.5000000), wk = 0.0034602 k( 176) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0034602 k( 177) = ( 0.4083333 0.1833333 0.5000000), wk = 0.0034602 k( 178) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0034602 k( 179) = ( 0.3916667 0.2166667 0.5000000), wk = 0.0034602 k( 180) = ( 0.3833333 0.2333333 0.5000000), wk = 0.0034602 k( 181) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0034602 k( 182) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0034602 k( 183) = ( 0.3583333 0.2833333 0.5000000), wk = 0.0034602 k( 184) = ( 0.3500000 0.3000000 0.5000000), wk = 0.0034602 k( 185) = ( 0.3416667 0.3166667 0.5000000), wk = 0.0034602 k( 186) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0034602 k( 187) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0034602 k( 188) = ( 0.3250000 0.3250000 0.5000000), wk = 0.0034602 k( 189) = ( 0.3166667 0.3166667 0.5000000), wk = 0.0034602 k( 190) = ( 0.3083333 0.3083333 0.5000000), wk = 0.0034602 k( 191) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0034602 k( 192) = ( 0.2916667 0.2916667 0.5000000), wk = 0.0034602 k( 193) = ( 0.2833333 0.2833333 0.5000000), wk = 0.0034602 k( 194) = ( 0.2750000 0.2750000 0.5000000), wk = 0.0034602 k( 195) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0034602 k( 196) = ( 0.2583333 0.2583333 0.5000000), wk = 0.0034602 k( 197) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0034602 k( 198) = ( 0.2416667 0.2416667 0.5000000), wk = 0.0034602 k( 199) = ( 0.2333333 0.2333333 0.5000000), wk = 0.0034602 k( 200) = ( 0.2250000 0.2250000 0.5000000), wk = 0.0034602 k( 201) = ( 0.2166667 0.2166667 0.5000000), wk = 0.0034602 k( 202) = ( 0.2083333 0.2083333 0.5000000), wk = 0.0034602 k( 203) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0034602 k( 204) = ( 0.1916667 0.1916667 0.5000000), wk = 0.0034602 k( 205) = ( 0.1833333 0.1833333 0.5000000), wk = 0.0034602 k( 206) = ( 0.1750000 0.1750000 0.5000000), wk = 0.0034602 k( 207) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0034602 k( 208) = ( 0.1583333 0.1583333 0.5000000), wk = 0.0034602 k( 209) = ( 0.1500000 0.1500000 0.5000000), wk = 0.0034602 k( 210) = ( 0.1416667 0.1416667 0.5000000), wk = 0.0034602 k( 211) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0034602 k( 212) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0034602 k( 213) = ( 0.1166667 0.1166667 0.5000000), wk = 0.0034602 k( 214) = ( 0.1083333 0.1083333 0.5000000), wk = 0.0034602 k( 215) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0034602 k( 216) = ( 0.0916667 0.0916667 0.5000000), wk = 0.0034602 k( 217) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0034602 k( 218) = ( 0.0750000 0.0750000 0.5000000), wk = 0.0034602 k( 219) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0034602 k( 220) = ( 0.0583333 0.0583333 0.5000000), wk = 0.0034602 k( 221) = ( 0.0500000 0.0500000 0.5000000), wk = 0.0034602 k( 222) = ( 0.0416667 0.0416667 0.5000000), wk = 0.0034602 k( 223) = ( 0.0333333 0.0333333 0.5000000), wk = 0.0034602 k( 224) = ( 0.0250000 0.0250000 0.5000000), wk = 0.0034602 k( 225) = ( 0.0166667 0.0166667 0.5000000), wk = 0.0034602 k( 226) = ( 0.0083333 0.0083333 0.5000000), wk = 0.0034602 k( 227) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034602 k( 228) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0034602 k( 229) = ( 0.5000000 0.0000000 0.4833333), wk = 0.0034602 k( 230) = ( 0.5000000 0.0000000 0.4666667), wk = 0.0034602 k( 231) = ( 0.5000000 0.0000000 0.4500000), wk = 0.0034602 k( 232) = ( 0.5000000 0.0000000 0.4333333), wk = 0.0034602 k( 233) = ( 0.5000000 0.0000000 0.4166667), wk = 0.0034602 k( 234) = ( 0.5000000 0.0000000 0.4000000), wk = 0.0034602 k( 235) = ( 0.5000000 0.0000000 0.3833333), wk = 0.0034602 k( 236) = ( 0.5000000 0.0000000 0.3666667), wk = 0.0034602 k( 237) = ( 0.5000000 0.0000000 0.3500000), wk = 0.0034602 k( 238) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0034602 k( 239) = ( 0.5000000 0.0000000 0.3166667), wk = 0.0034602 k( 240) = ( 0.5000000 0.0000000 0.3000000), wk = 0.0034602 k( 241) = ( 0.5000000 0.0000000 0.2833333), wk = 0.0034602 k( 242) = ( 0.5000000 0.0000000 0.2666667), wk = 0.0034602 k( 243) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0034602 k( 244) = ( 0.5000000 0.0000000 0.2333333), wk = 0.0034602 k( 245) = ( 0.5000000 0.0000000 0.2166667), wk = 0.0034602 k( 246) = ( 0.5000000 0.0000000 0.2000000), wk = 0.0034602 k( 247) = ( 0.5000000 0.0000000 0.1833333), wk = 0.0034602 k( 248) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0034602 k( 249) = ( 0.5000000 0.0000000 0.1500000), wk = 0.0034602 k( 250) = ( 0.5000000 0.0000000 0.1333333), wk = 0.0034602 k( 251) = ( 0.5000000 0.0000000 0.1166667), wk = 0.0034602 k( 252) = ( 0.5000000 0.0000000 0.1000000), wk = 0.0034602 k( 253) = ( 0.5000000 0.0000000 0.0833333), wk = 0.0034602 k( 254) = ( 0.5000000 0.0000000 0.0666667), wk = 0.0034602 k( 255) = ( 0.5000000 0.0000000 0.0500000), wk = 0.0034602 k( 256) = ( 0.5000000 0.0000000 0.0333333), wk = 0.0034602 k( 257) = ( 0.5000000 0.0000000 0.0166667), wk = 0.0034602 k( 258) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0034602 k( 259) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0034602 k( 260) = ( 0.3333333 0.3333333 0.0166667), wk = 0.0034602 k( 261) = ( 0.3333333 0.3333333 0.0333333), wk = 0.0034602 k( 262) = ( 0.3333333 0.3333333 0.0500000), wk = 0.0034602 k( 263) = ( 0.3333333 0.3333333 0.0666667), wk = 0.0034602 k( 264) = ( 0.3333333 0.3333333 0.0833333), wk = 0.0034602 k( 265) = ( 0.3333333 0.3333333 0.1000000), wk = 0.0034602 k( 266) = ( 0.3333333 0.3333333 0.1166667), wk = 0.0034602 k( 267) = ( 0.3333333 0.3333333 0.1333333), wk = 0.0034602 k( 268) = ( 0.3333333 0.3333333 0.1500000), wk = 0.0034602 k( 269) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0034602 k( 270) = ( 0.3333333 0.3333333 0.1833333), wk = 0.0034602 k( 271) = ( 0.3333333 0.3333333 0.2000000), wk = 0.0034602 k( 272) = ( 0.3333333 0.3333333 0.2166667), wk = 0.0034602 k( 273) = ( 0.3333333 0.3333333 0.2333333), wk = 0.0034602 k( 274) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0034602 k( 275) = ( 0.3333333 0.3333333 0.2666667), wk = 0.0034602 k( 276) = ( 0.3333333 0.3333333 0.2833333), wk = 0.0034602 k( 277) = ( 0.3333333 0.3333333 0.3000000), wk = 0.0034602 k( 278) = ( 0.3333333 0.3333333 0.3166667), wk = 0.0034602 k( 279) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0034602 k( 280) = ( 0.3333333 0.3333333 0.3500000), wk = 0.0034602 k( 281) = ( 0.3333333 0.3333333 0.3666667), wk = 0.0034602 k( 282) = ( 0.3333333 0.3333333 0.3833333), wk = 0.0034602 k( 283) = ( 0.3333333 0.3333333 0.4000000), wk = 0.0034602 k( 284) = ( 0.3333333 0.3333333 0.4166667), wk = 0.0034602 k( 285) = ( 0.3333333 0.3333333 0.4333333), wk = 0.0034602 k( 286) = ( 0.3333333 0.3333333 0.4500000), wk = 0.0034602 k( 287) = ( 0.3333333 0.3333333 0.4666667), wk = 0.0034602 k( 288) = ( 0.3333333 0.3333333 0.4833333), wk = 0.0034602 k( 289) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0034602 Dense grid: 85871 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 37929 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.28 Mb ( 272, 68) NL pseudopotentials 0.39 Mb ( 136, 186) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 2383) G-vector shells 0.01 Mb ( 1139) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.13 Mb ( 272, 272) Each subspace H/S matrix 0.07 Mb ( 68, 68) Each matrix 0.39 Mb ( 186, 2, 68) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./SrxSbO3x2.save/charge-density.dat Starting wfc are 80 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.8 secs Computing kpt #: 2 total cpu time spent up to now is 5.0 secs Computing kpt #: 3 total cpu time spent up to now is 6.2 secs Computing kpt #: 4 total cpu time spent up to now is 7.5 secs Computing kpt #: 5 total cpu time spent up to now is 8.8 secs Computing kpt #: 6 total cpu time spent up to now is 10.0 secs Computing kpt #: 7 total cpu time spent up to now is 11.2 secs Computing kpt #: 8 total cpu time spent up to now is 12.4 secs Computing kpt #: 9 total cpu time spent up to now is 13.6 secs Computing kpt #: 10 total cpu time spent up to now is 14.8 secs Computing kpt #: 11 total cpu time spent up to now is 16.0 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 18.6 secs Computing kpt #: 14 total cpu time spent up to now is 19.8 secs Computing kpt #: 15 total cpu time spent up to now is 21.0 secs Computing kpt #: 16 total cpu time spent up to now is 22.3 secs Computing kpt #: 17 total cpu time spent up to now is 23.5 secs Computing kpt #: 18 total cpu time spent up to now is 24.8 secs Computing kpt #: 19 total cpu time spent up to now is 26.3 secs Computing kpt #: 20 total cpu time spent up to now is 27.6 secs Computing kpt #: 21 total cpu time spent up to now is 28.8 secs Computing kpt #: 22 total cpu time spent up to now is 30.1 secs Computing kpt #: 23 total cpu time spent up to now is 31.3 secs Computing kpt #: 24 total cpu time spent up to now is 32.5 secs Computing kpt #: 25 total cpu time spent up to now is 33.8 secs Computing kpt #: 26 total cpu time spent up to now is 35.0 secs Computing kpt #: 27 total cpu time spent up to now is 36.2 secs Computing kpt #: 28 total cpu time spent up to now is 37.4 secs Computing kpt #: 29 total cpu time spent up to now is 38.7 secs Computing kpt #: 30 total cpu time spent up to now is 39.9 secs Computing kpt #: 31 total cpu time spent up to now is 41.1 secs Computing kpt #: 32 total cpu time spent up to now is 42.3 secs Computing kpt #: 33 total cpu time spent up to now is 43.5 secs Computing kpt #: 34 total cpu time spent up to now is 44.7 secs Computing kpt #: 35 total cpu time spent up to now is 45.9 secs Computing kpt #: 36 total cpu time spent up to now is 47.1 secs Computing kpt #: 37 total cpu time spent up to now is 48.3 secs Computing kpt #: 38 total cpu time spent up to now is 49.5 secs Computing kpt #: 39 total cpu time spent up to now is 50.6 secs Computing kpt #: 40 total cpu time spent up to now is 51.9 secs Computing kpt #: 41 total cpu time spent up to now is 53.3 secs Computing kpt #: 42 total cpu time spent up to now is 54.7 secs Computing kpt #: 43 total cpu time spent up to now is 56.2 secs Computing kpt #: 44 total cpu time spent up to now is 57.6 secs Computing kpt #: 45 total cpu time spent up to now is 59.1 secs Computing kpt #: 46 total cpu time spent up to now is 60.6 secs Computing kpt #: 47 total cpu time spent up to now is 62.0 secs Computing kpt #: 48 total cpu time spent up to now is 63.6 secs Computing kpt #: 49 total cpu time spent up to now is 65.1 secs Computing kpt #: 50 total cpu time spent up to now is 66.6 secs Computing kpt #: 51 total cpu time spent up to now is 68.1 secs Computing kpt #: 52 total cpu time spent up to now is 69.5 secs Computing kpt #: 53 total cpu time spent up to now is 70.9 secs Computing kpt #: 54 total cpu time spent up to now is 72.2 secs Computing kpt #: 55 total cpu time spent up to now is 73.4 secs Computing kpt #: 56 total cpu time spent up to now is 74.7 secs Computing kpt #: 57 total cpu time spent up to now is 75.9 secs Computing kpt #: 58 total cpu time spent up to now is 77.2 secs Computing kpt #: 59 total cpu time spent up to now is 78.5 secs Computing kpt #: 60 total cpu time spent up to now is 79.8 secs Computing kpt #: 61 total cpu time spent up to now is 81.1 secs Computing kpt #: 62 total cpu time spent up to now is 82.5 secs Computing kpt #: 63 total cpu time spent up to now is 83.8 secs Computing kpt #: 64 total cpu time spent up to now is 85.1 secs Computing kpt #: 65 total cpu time spent up to now is 86.5 secs Computing kpt #: 66 total cpu time spent up to now is 87.7 secs Computing kpt #: 67 total cpu time spent up to now is 88.8 secs Computing kpt #: 68 total cpu time spent up to now is 90.1 secs Computing kpt #: 69 total cpu time spent up to now is 91.4 secs Computing kpt #: 70 total cpu time spent up to now is 92.4 secs Computing kpt #: 71 total cpu time spent up to now is 93.6 secs Computing kpt #: 72 total cpu time spent up to now is 94.8 secs Computing kpt #: 73 total cpu time spent up to now is 96.0 secs Computing kpt #: 74 total cpu time spent up to now is 97.2 secs Computing kpt #: 75 total cpu time spent up to now is 98.4 secs Computing kpt #: 76 total cpu time spent up to now is 99.6 secs Computing kpt #: 77 total cpu time spent up to now is 100.8 secs Computing kpt #: 78 total cpu time spent up to now is 102.1 secs Computing kpt #: 79 total cpu time spent up to now is 103.3 secs Computing kpt #: 80 total cpu time spent up to now is 104.5 secs Computing kpt #: 81 total cpu time spent up to now is 105.7 secs Computing kpt #: 82 total cpu time spent up to now is 107.0 secs Computing kpt #: 83 total cpu time spent up to now is 108.2 secs Computing kpt #: 84 total cpu time spent up to now is 109.4 secs Computing kpt #: 85 total cpu time spent up to now is 110.7 secs Computing kpt #: 86 total cpu time spent up to now is 111.9 secs Computing kpt #: 87 total cpu time spent up to now is 113.2 secs Computing kpt #: 88 total cpu time spent up to now is 114.4 secs Computing kpt #: 89 total cpu time spent up to now is 115.6 secs Computing kpt #: 90 total cpu time spent up to now is 116.8 secs Computing kpt #: 91 total cpu time spent up to now is 118.0 secs Computing kpt #: 92 total cpu time spent up to now is 119.2 secs Computing kpt #: 93 total cpu time spent up to now is 120.4 secs Computing kpt #: 94 total cpu time spent up to now is 121.6 secs Computing kpt #: 95 total cpu time spent up to now is 122.9 secs Computing kpt #: 96 total cpu time spent up to now is 124.3 secs Computing kpt #: 97 total cpu time spent up to now is 125.4 secs Computing kpt #: 98 total cpu time spent up to now is 126.5 secs Computing kpt #: 99 total cpu time spent up to now is 127.6 secs Computing kpt #: 100 total cpu time spent up to now is 128.7 secs Computing kpt #: 101 total cpu time spent up to now is 129.8 secs Computing kpt #: 102 total cpu time spent up to now is 131.1 secs Computing kpt #: 103 total cpu time spent up to now is 132.4 secs Computing kpt #: 104 total cpu time spent up to now is 133.5 secs Computing kpt #: 105 total cpu time spent up to now is 134.8 secs Computing kpt #: 106 total cpu time spent up to now is 136.0 secs Computing kpt #: 107 total cpu time spent up to now is 137.2 secs Computing kpt #: 108 total cpu time spent up to now is 138.4 secs Computing kpt #: 109 total cpu time spent up to now is 139.6 secs Computing kpt #: 110 total cpu time spent up to now is 140.7 secs Computing kpt #: 111 total cpu time spent up to now is 141.8 secs Computing kpt #: 112 total cpu time spent up to now is 142.9 secs Computing kpt #: 113 total cpu time spent up to now is 144.0 secs Computing kpt #: 114 total cpu time spent up to now is 145.2 secs Computing kpt #: 115 total cpu time spent up to now is 146.2 secs Computing kpt #: 116 total cpu time spent up to now is 147.3 secs Computing kpt #: 117 total cpu time spent up to now is 148.4 secs Computing kpt #: 118 total cpu time spent up to now is 149.4 secs Computing kpt #: 119 total cpu time spent up to now is 150.4 secs Computing kpt #: 120 total cpu time spent up to now is 151.4 secs Computing kpt #: 121 total cpu time spent up to now is 152.4 secs Computing kpt #: 122 total cpu time spent up to now is 153.4 secs Computing kpt #: 123 total cpu time spent up to now is 154.4 secs Computing kpt #: 124 total cpu time spent up to now is 155.4 secs Computing kpt #: 125 total cpu time spent up to now is 156.4 secs Computing kpt #: 126 total cpu time spent up to now is 157.3 secs Computing kpt #: 127 total cpu time spent up to now is 158.3 secs Computing kpt #: 128 total cpu time spent up to now is 159.2 secs Computing kpt #: 129 total cpu time spent up to now is 160.2 secs Computing kpt #: 130 total cpu time spent up to now is 161.1 secs Computing kpt #: 131 total cpu time spent up to now is 162.0 secs Computing kpt #: 132 total cpu time spent up to now is 163.0 secs Computing kpt #: 133 total cpu time spent up to now is 164.0 secs Computing kpt #: 134 total cpu time spent up to now is 164.9 secs Computing kpt #: 135 total cpu time spent up to now is 165.9 secs Computing kpt #: 136 total cpu time spent up to now is 166.9 secs Computing kpt #: 137 total cpu time spent up to now is 167.9 secs Computing kpt #: 138 total cpu time spent up to now is 168.9 secs Computing kpt #: 139 total cpu time spent up to now is 170.0 secs Computing kpt #: 140 total cpu time spent up to now is 171.0 secs Computing kpt #: 141 total cpu time spent up to now is 172.0 secs Computing kpt #: 142 total cpu time spent up to now is 173.0 secs Computing kpt #: 143 total cpu time spent up to now is 174.1 secs Computing kpt #: 144 total cpu time spent up to now is 175.1 secs Computing kpt #: 145 total cpu time spent up to now is 176.2 secs Computing kpt #: 146 total cpu time spent up to now is 177.2 secs Computing kpt #: 147 total cpu time spent up to now is 178.3 secs Computing kpt #: 148 total cpu time spent up to now is 179.4 secs Computing kpt #: 149 total cpu time spent up to now is 180.4 secs Computing kpt #: 150 total cpu time spent up to now is 181.3 secs Computing kpt #: 151 total cpu time spent up to now is 182.3 secs Computing kpt #: 152 total cpu time spent up to now is 183.4 secs Computing kpt #: 153 total cpu time spent up to now is 184.4 secs Computing kpt #: 154 total cpu time spent up to now is 185.5 secs Computing kpt #: 155 total cpu time spent up to now is 186.5 secs Computing kpt #: 156 total cpu time spent up to now is 187.9 secs Computing kpt #: 157 total cpu time spent up to now is 189.3 secs Computing kpt #: 158 total cpu time spent up to now is 190.6 secs Computing kpt #: 159 total cpu time spent up to now is 192.0 secs Computing kpt #: 160 total cpu time spent up to now is 193.3 secs Computing kpt #: 161 total cpu time spent up to now is 194.6 secs Computing kpt #: 162 total cpu time spent up to now is 195.8 secs Computing kpt #: 163 total cpu time spent up to now is 197.0 secs Computing kpt #: 164 total cpu time spent up to now is 198.3 secs Computing kpt #: 165 total cpu time spent up to now is 199.4 secs Computing kpt #: 166 total cpu time spent up to now is 200.6 secs Computing kpt #: 167 total cpu time spent up to now is 201.8 secs Computing kpt #: 168 total cpu time spent up to now is 203.1 secs Computing kpt #: 169 total cpu time spent up to now is 204.6 secs Computing kpt #: 170 total cpu time spent up to now is 205.8 secs Computing kpt #: 171 total cpu time spent up to now is 207.0 secs Computing kpt #: 172 total cpu time spent up to now is 208.3 secs Computing kpt #: 173 total cpu time spent up to now is 209.3 secs Computing kpt #: 174 total cpu time spent up to now is 210.3 secs Computing kpt #: 175 total cpu time spent up to now is 211.6 secs Computing kpt #: 176 total cpu time spent up to now is 213.0 secs Computing kpt #: 177 total cpu time spent up to now is 214.3 secs Computing kpt #: 178 total cpu time spent up to now is 215.3 secs Computing kpt #: 179 total cpu time spent up to now is 216.3 secs Computing kpt #: 180 total cpu time spent up to now is 217.7 secs Computing kpt #: 181 total cpu time spent up to now is 219.0 secs Computing kpt #: 182 total cpu time spent up to now is 220.4 secs Computing kpt #: 183 total cpu time spent up to now is 221.7 secs Computing kpt #: 184 total cpu time spent up to now is 223.0 secs Computing kpt #: 185 total cpu time spent up to now is 224.3 secs Computing kpt #: 186 total cpu time spent up to now is 225.7 secs Computing kpt #: 187 total cpu time spent up to now is 227.0 secs Computing kpt #: 188 total cpu time spent up to now is 228.3 secs Computing kpt #: 189 total cpu time spent up to now is 229.7 secs Computing kpt #: 190 total cpu time spent up to now is 231.0 secs Computing kpt #: 191 total cpu time spent up to now is 232.3 secs Computing kpt #: 192 total cpu time spent up to now is 233.5 secs Computing kpt #: 193 total cpu time spent up to now is 234.5 secs Computing kpt #: 194 total cpu time spent up to now is 235.5 secs Computing kpt #: 195 total cpu time spent up to now is 236.4 secs Computing kpt #: 196 total cpu time spent up to now is 237.4 secs Computing kpt #: 197 total cpu time spent up to now is 238.3 secs Computing kpt #: 198 total cpu time spent up to now is 239.3 secs Computing kpt #: 199 total cpu time spent up to now is 240.3 secs Computing kpt #: 200 total cpu time spent up to now is 241.4 secs Computing kpt #: 201 total cpu time spent up to now is 242.4 secs Computing kpt #: 202 total cpu time spent up to now is 243.5 secs Computing kpt #: 203 total cpu time spent up to now is 244.6 secs Computing kpt #: 204 total cpu time spent up to now is 246.0 secs Computing kpt #: 205 total cpu time spent up to now is 247.1 secs Computing kpt #: 206 total cpu time spent up to now is 248.2 secs Computing kpt #: 207 total cpu time spent up to now is 249.4 secs Computing kpt #: 208 total cpu time spent up to now is 250.6 secs Computing kpt #: 209 total cpu time spent up to now is 251.7 secs Computing kpt #: 210 total cpu time spent up to now is 252.7 secs Computing kpt #: 211 total cpu time spent up to now is 253.7 secs Computing kpt #: 212 total cpu time spent up to now is 254.7 secs Computing kpt #: 213 total cpu time spent up to now is 255.7 secs Computing kpt #: 214 total cpu time spent up to now is 256.7 secs Computing kpt #: 215 total cpu time spent up to now is 257.7 secs Computing kpt #: 216 total cpu time spent up to now is 258.8 secs Computing kpt #: 217 total cpu time spent up to now is 259.8 secs Computing kpt #: 218 total cpu time spent up to now is 260.8 secs Computing kpt #: 219 total cpu time spent up to now is 261.8 secs Computing kpt #: 220 total cpu time spent up to now is 262.8 secs Computing kpt #: 221 total cpu time spent up to now is 263.8 secs Computing kpt #: 222 total cpu time spent up to now is 264.8 secs Computing kpt #: 223 total cpu time spent up to now is 265.8 secs Computing kpt #: 224 total cpu time spent up to now is 266.8 secs Computing kpt #: 225 total cpu time spent up to now is 267.7 secs Computing kpt #: 226 total cpu time spent up to now is 268.7 secs Computing kpt #: 227 total cpu time spent up to now is 269.6 secs Computing kpt #: 228 total cpu time spent up to now is 270.9 secs Computing kpt #: 229 total cpu time spent up to now is 272.2 secs Computing kpt #: 230 total cpu time spent up to now is 273.5 secs Computing kpt #: 231 total cpu time spent up to now is 274.8 secs Computing kpt #: 232 total cpu time spent up to now is 276.1 secs Computing kpt #: 233 total cpu time spent up to now is 277.4 secs Computing kpt #: 234 total cpu time spent up to now is 278.7 secs Computing kpt #: 235 total cpu time spent up to now is 280.0 secs Computing kpt #: 236 total cpu time spent up to now is 281.0 secs Computing kpt #: 237 total cpu time spent up to now is 282.2 secs Computing kpt #: 238 total cpu time spent up to now is 283.2 secs Computing kpt #: 239 total cpu time spent up to now is 284.3 secs Computing kpt #: 240 total cpu time spent up to now is 285.6 secs Computing kpt #: 241 total cpu time spent up to now is 286.6 secs Computing kpt #: 242 total cpu time spent up to now is 287.7 secs Computing kpt #: 243 total cpu time spent up to now is 288.7 secs Computing kpt #: 244 total cpu time spent up to now is 289.7 secs Computing kpt #: 245 total cpu time spent up to now is 290.8 secs Computing kpt #: 246 total cpu time spent up to now is 291.8 secs Computing kpt #: 247 total cpu time spent up to now is 293.1 secs Computing kpt #: 248 total cpu time spent up to now is 294.3 secs Computing kpt #: 249 total cpu time spent up to now is 295.6 secs Computing kpt #: 250 total cpu time spent up to now is 296.9 secs Computing kpt #: 251 total cpu time spent up to now is 298.2 secs Computing kpt #: 252 total cpu time spent up to now is 299.6 secs Computing kpt #: 253 total cpu time spent up to now is 300.9 secs Computing kpt #: 254 total cpu time spent up to now is 302.3 secs Computing kpt #: 255 total cpu time spent up to now is 303.6 secs Computing kpt #: 256 total cpu time spent up to now is 304.9 secs Computing kpt #: 257 total cpu time spent up to now is 306.0 secs Computing kpt #: 258 total cpu time spent up to now is 307.2 secs Computing kpt #: 259 total cpu time spent up to now is 308.4 secs Computing kpt #: 260 total cpu time spent up to now is 309.7 secs Computing kpt #: 261 total cpu time spent up to now is 311.0 secs Computing kpt #: 262 total cpu time spent up to now is 312.3 secs Computing kpt #: 263 total cpu time spent up to now is 313.7 secs Computing kpt #: 264 total cpu time spent up to now is 315.6 secs Computing kpt #: 265 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 318.0 secs Computing kpt #: 266 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 320.4 secs Computing kpt #: 267 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 322.8 secs Computing kpt #: 268 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 325.5 secs Computing kpt #: 269 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 328.0 secs Computing kpt #: 270 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 330.4 secs Computing kpt #: 271 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 332.8 secs Computing kpt #: 272 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 335.2 secs Computing kpt #: 273 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 337.6 secs Computing kpt #: 274 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 340.0 secs Computing kpt #: 275 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 342.6 secs Computing kpt #: 276 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 345.1 secs Computing kpt #: 277 total cpu time spent up to now is 347.3 secs Computing kpt #: 278 total cpu time spent up to now is 348.7 secs Computing kpt #: 279 total cpu time spent up to now is 350.3 secs Computing kpt #: 280 total cpu time spent up to now is 351.9 secs Computing kpt #: 281 total cpu time spent up to now is 353.6 secs Computing kpt #: 282 total cpu time spent up to now is 355.1 secs Computing kpt #: 283 total cpu time spent up to now is 356.5 secs Computing kpt #: 284 total cpu time spent up to now is 358.0 secs Computing kpt #: 285 total cpu time spent up to now is 359.4 secs Computing kpt #: 286 total cpu time spent up to now is 360.7 secs Computing kpt #: 287 total cpu time spent up to now is 362.1 secs Computing kpt #: 288 total cpu time spent up to now is 363.4 secs Computing kpt #: 289 total cpu time spent up to now is 364.8 secs ethr = 1.79E-08, avg # of iterations = 42.6 total cpu time spent up to now is 364.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4739 PWs) bands (ev): -26.6344 -26.6344 -14.2146 -14.2146 -11.9752 -11.9752 -11.9181 -11.9181 -11.8291 -11.8291 -10.8934 -10.8934 -10.8332 -10.8332 -9.2432 -9.2432 -8.1807 -8.1807 -8.1477 -8.1477 -4.1627 -4.1627 -0.3879 -0.3879 0.1379 0.1379 0.6962 0.6962 0.7992 0.7992 1.1402 1.1402 1.2944 1.2944 3.4344 3.4344 3.7529 3.7529 3.7606 3.7606 4.1856 4.1856 4.3227 4.3227 4.3557 4.3557 4.6347 4.6347 4.6728 4.6728 4.6858 4.6858 4.8414 4.8414 4.8547 4.8547 8.4598 8.4598 11.8555 11.8555 12.6646 12.6646 13.2581 13.2581 13.3174 13.3174 13.3458 13.3458 k = 0.0143 0.0082-0.0000 ( 4737 PWs) bands (ev): -26.6344 -26.6344 -14.2139 -14.2139 -11.9763 -11.9763 -11.9194 -11.9194 -11.8283 -11.8283 -10.8931 -10.8931 -10.8330 -10.8330 -9.2434 -9.2434 -8.1809 -8.1809 -8.1478 -8.1478 -4.1606 -4.1606 -0.3888 -0.3888 0.1370 0.1370 0.6967 0.6967 0.7999 0.7999 1.1418 1.1418 1.2957 1.2957 3.4358 3.4358 3.7482 3.7482 3.7583 3.7583 4.1894 4.1894 4.3210 4.3210 4.3536 4.3536 4.6313 4.6313 4.6732 4.6732 4.6862 4.6862 4.8427 4.8427 4.8557 4.8557 8.4641 8.4641 11.8546 11.8546 12.6661 12.6661 13.2582 13.2582 13.3173 13.3173 13.3458 13.3458 k = 0.0286 0.0165-0.0000 ( 4731 PWs) bands (ev): -26.6344 -26.6344 -14.2118 -14.2118 -11.9799 -11.9799 -11.9232 -11.9232 -11.8261 -11.8261 -10.8920 -10.8920 -10.8323 -10.8323 -9.2440 -9.2440 -8.1815 -8.1815 -8.1481 -8.1481 -4.1544 -4.1544 -0.3916 -0.3916 0.1345 0.1345 0.6981 0.6981 0.8019 0.8019 1.1463 1.1463 1.3000 1.3000 3.4403 3.4403 3.7301 3.7301 3.7561 3.7561 4.2000 4.2000 4.3149 4.3149 4.3484 4.3484 4.6232 4.6232 4.6709 4.6709 4.6893 4.6893 4.8464 4.8464 4.8586 4.8586 8.4768 8.4768 11.8518 11.8518 12.6706 12.6706 13.2585 13.2585 13.3172 13.3172 13.3458 13.3458 k = 0.0429 0.0247-0.0000 ( 4739 PWs) bands (ev): -26.6344 -26.6344 -14.2082 -14.2082 -11.9859 -11.9859 -11.9293 -11.9293 -11.8226 -11.8226 -10.8903 -10.8903 -10.8311 -10.8311 -9.2450 -9.2450 -8.1824 -8.1824 -8.1486 -8.1486 -4.1441 -4.1441 -0.3964 -0.3964 0.1305 0.1305 0.7004 0.7004 0.8053 0.8053 1.1530 1.1530 1.3077 1.3077 3.4475 3.4475 3.7006 3.7006 3.7544 3.7544 4.2146 4.2146 4.3031 4.3031 4.3421 4.3421 4.6131 4.6131 4.6641 4.6641 4.6947 4.6947 4.8520 4.8520 4.8635 4.8635 8.4978 8.4978 11.8472 11.8472 12.6781 12.6781 13.2591 13.2591 13.3169 13.3169 13.3456 13.3456 k = 0.0571 0.0330-0.0000 ( 4739 PWs) bands (ev): -26.6343 -26.6343 -14.2032 -14.2032 -11.9948 -11.9948 -11.9371 -11.9371 -11.8177 -11.8177 -10.8881 -10.8881 -10.8294 -10.8294 -9.2464 -9.2464 -8.1838 -8.1838 -8.1494 -8.1494 -4.1298 -4.1298 -0.4030 -0.4030 0.1252 0.1252 0.7037 0.7037 0.8101 0.8101 1.1609 1.1609 1.3196 1.3196 3.4573 3.4573 3.6626 3.6626 3.7523 3.7523 4.2289 4.2289 4.2866 4.2866 4.3364 4.3364 4.6029 4.6029 4.6541 4.6541 4.7003 4.7003 4.8586 4.8586 4.8703 4.8703 8.5267 8.5267 11.8407 11.8407 12.6886 12.6886 13.2599 13.2599 13.3163 13.3163 13.3452 13.3452 k = 0.0714 0.0412-0.0000 ( 4733 PWs) bands (ev): -26.6343 -26.6343 -14.1967 -14.1967 -12.0068 -12.0068 -11.9461 -11.9461 -11.8117 -11.8117 -10.8855 -10.8855 -10.8271 -10.8271 -9.2482 -9.2482 -8.1855 -8.1855 -8.1503 -8.1503 -4.1114 -4.1114 -0.4116 -0.4116 0.1189 0.1189 0.7081 0.7081 0.8162 0.8162 1.1688 1.1688 1.3364 1.3364 3.4695 3.4695 3.6185 3.6185 3.7498 3.7498 4.2299 4.2299 4.2766 4.2766 4.3311 4.3311 4.5935 4.5935 4.6418 4.6418 4.7052 4.7052 4.8654 4.8654 4.8793 4.8793 8.5633 8.5633 11.8324 11.8324 12.7020 12.7020 13.2608 13.2608 13.3151 13.3151 13.3443 13.3443 k = 0.0857 0.0495-0.0000 ( 4725 PWs) bands (ev): -26.6343 -26.6343 -14.1889 -14.1889 -12.0220 -12.0220 -11.9558 -11.9558 -11.8045 -11.8045 -10.8827 -10.8827 -10.8243 -10.8243 -9.2503 -9.2503 -8.1876 -8.1876 -8.1513 -8.1513 -4.0892 -4.0892 -0.4222 -0.4222 0.1119 0.1119 0.7136 0.7136 0.8236 0.8236 1.1759 1.1759 1.3584 1.3584 3.4835 3.4835 3.5699 3.5699 3.7471 3.7471 4.2060 4.2060 4.2839 4.2839 4.3261 4.3261 4.5855 4.5855 4.6277 4.6277 4.7094 4.7094 4.8716 4.8716 4.8900 4.8900 8.6070 8.6070 11.8224 11.8224 12.7183 12.7183 13.2619 13.2619 13.3133 13.3133 13.3428 13.3428 k = 0.1000 0.0577-0.0000 ( 4731 PWs) bands (ev): -26.6343 -26.6343 -14.1796 -14.1796 -12.0408 -12.0408 -11.9659 -11.9659 -11.7963 -11.7963 -10.8801 -10.8801 -10.8208 -10.8208 -9.2528 -9.2528 -8.1901 -8.1901 -8.1525 -8.1525 -4.0631 -4.0631 -0.4349 -0.4349 0.1045 0.1045 0.7202 0.7202 0.8324 0.8324 1.1817 1.1817 1.3857 1.3857 3.4974 3.4974 3.5194 3.5194 3.7445 3.7445 4.1700 4.1700 4.2935 4.2935 4.3232 4.3232 4.5791 4.5791 4.6123 4.6123 4.7133 4.7133 4.8773 4.8773 4.9020 4.9020 8.6573 8.6573 11.8107 11.8107 12.7372 12.7372 13.2631 13.2631 13.3103 13.3103 13.3404 13.3404 k = 0.1143 0.0660-0.0000 ( 4731 PWs) bands (ev): -26.6343 -26.6343 -14.1690 -14.1690 -12.0628 -12.0628 -11.9761 -11.9761 -11.7870 -11.7870 -10.8777 -10.8777 -10.8166 -10.8166 -9.2556 -9.2556 -8.1929 -8.1929 -8.1538 -8.1538 -4.0333 -4.0333 -0.4496 -0.4496 0.0972 0.0972 0.7279 0.7279 0.8424 0.8424 1.1862 1.1862 1.4179 1.4179 3.4621 3.4621 3.5163 3.5163 3.7423 3.7423 4.1286 4.1286 4.2942 4.2942 4.3268 4.3268 4.5741 4.5741 4.5961 4.5961 4.7172 4.7172 4.8823 4.8823 4.9145 4.9145 8.7137 8.7137 11.7973 11.7973 12.7588 12.7588 13.2644 13.2644 13.3058 13.3058 13.3372 13.3372 k = 0.1286 0.0742-0.0000 ( 4725 PWs) bands (ev): -26.6342 -26.6342 -14.1570 -14.1570 -12.0879 -12.0879 -11.9864 -11.9864 -11.7768 -11.7768 -10.8759 -10.8759 -10.8118 -10.8118 -9.2586 -9.2586 -8.1961 -8.1961 -8.1551 -8.1551 -3.9999 -3.9999 -0.4665 -0.4665 0.0901 0.0901 0.7365 0.7365 0.8537 0.8537 1.1896 1.1896 1.4541 1.4541 3.4065 3.4065 3.5311 3.5311 3.7414 3.7414 4.0840 4.0840 4.2865 4.2865 4.3351 4.3351 4.5676 4.5676 4.5820 4.5820 4.7216 4.7216 4.8866 4.8866 4.9271 4.9271 8.7756 8.7756 11.7822 11.7822 12.7829 12.7829 13.2656 13.2656 13.2988 13.2988 13.3334 13.3334 k = 0.1429 0.0825-0.0000 ( 4723 PWs) bands (ev): -26.6342 -26.6342 -14.1436 -14.1436 -12.1158 -12.1158 -11.9968 -11.9968 -11.7656 -11.7656 -10.8747 -10.8747 -10.8062 -10.8062 -9.2620 -9.2620 -8.1995 -8.1995 -8.1566 -8.1566 -3.9631 -3.9631 -0.4856 -0.4856 0.0836 0.0836 0.7460 0.7460 0.8663 0.8663 1.1924 1.1924 1.4935 1.4935 3.3498 3.3498 3.5436 3.5436 3.7429 3.7429 4.0377 4.0377 4.2748 4.2748 4.3434 4.3434 4.5533 4.5533 4.5760 4.5760 4.7268 4.7268 4.8902 4.8902 4.9394 4.9394 8.8424 8.8424 11.7655 11.7655 12.8093 12.8093 13.2665 13.2665 13.2889 13.2889 13.3296 13.3296 k = 0.1571 0.0907-0.0000 ( 4741 PWs) bands (ev): -26.6342 -26.6342 -14.1289 -14.1289 -12.1462 -12.1462 -12.0073 -12.0073 -11.7534 -11.7534 -10.8743 -10.8743 -10.8001 -10.8001 -9.2655 -9.2655 -8.2033 -8.2033 -8.1580 -8.1580 -3.9231 -3.9231 -0.5068 -0.5068 0.0779 0.0779 0.7562 0.7562 0.8800 0.8800 1.1947 1.1947 1.5354 1.5354 3.2929 3.2929 3.5512 3.5512 3.7483 3.7483 3.9911 3.9911 4.2607 4.2607 4.3501 4.3501 4.5344 4.5344 4.5744 4.5744 4.7332 4.7332 4.8928 4.8928 4.9512 4.9512 8.9136 8.9136 11.7472 11.7472 12.8378 12.8378 13.2657 13.2657 13.2768 13.2768 13.3261 13.3261 k = 0.1714 0.0990-0.0000 ( 4749 PWs) bands (ev): -26.6342 -26.6342 -14.1129 -14.1129 -12.1788 -12.1788 -12.0180 -12.0180 -11.7404 -11.7404 -10.8748 -10.8748 -10.7934 -10.7934 -9.2693 -9.2693 -8.2073 -8.2073 -8.1595 -8.1595 -3.8800 -3.8800 -0.5302 -0.5302 0.0733 0.0733 0.7669 0.7669 0.8948 0.8948 1.1969 1.1969 1.5791 1.5791 3.2364 3.2364 3.5514 3.5514 3.7590 3.7590 3.9456 3.9456 4.2448 4.2448 4.3553 4.3553 4.5142 4.5142 4.5735 4.5735 4.7408 4.7408 4.8946 4.8946 4.9622 4.9622 8.9885 8.9885 11.7274 11.7274 12.8680 12.8680 13.2534 13.2534 13.2720 13.2720 13.3232 13.3232 k = 0.1857 0.1072-0.0000 ( 4753 PWs) bands (ev): -26.6341 -26.6341 -14.0957 -14.0957 -12.2133 -12.2133 -12.0287 -12.0287 -11.7264 -11.7264 -10.8763 -10.8763 -10.7863 -10.7863 -9.2732 -9.2732 -8.2115 -8.2115 -8.1610 -8.1610 -3.8339 -3.8339 -0.5558 -0.5558 0.0701 0.0701 0.7779 0.7779 0.9107 0.9107 1.1992 1.1992 1.6236 1.6236 3.1811 3.1811 3.5426 3.5426 3.7756 3.7756 3.9028 3.9028 4.2274 4.2274 4.3589 4.3589 4.4933 4.4933 4.5724 4.5724 4.7498 4.7498 4.8955 4.8955 4.9723 4.9723 9.0668 9.0668 11.7060 11.7060 12.8996 12.8996 13.2322 13.2322 13.2724 13.2724 13.3208 13.3208 k = 0.2000 0.1155-0.0000 ( 4753 PWs) bands (ev): -26.6341 -26.6341 -14.0772 -14.0772 -12.2495 -12.2495 -12.0395 -12.0395 -11.7117 -11.7117 -10.8787 -10.8787 -10.7788 -10.7788 -9.2773 -9.2773 -8.2159 -8.2159 -8.1624 -8.1624 -3.7852 -3.7852 -0.5835 -0.5835 0.0682 0.0682 0.7890 0.7890 0.9277 0.9277 1.2017 1.2017 1.6683 1.6683 3.1275 3.1275 3.5243 3.5243 3.7975 3.7975 3.8642 3.8642 4.2090 4.2090 4.3614 4.3614 4.4720 4.4720 4.5708 4.5708 4.7597 4.7597 4.8954 4.8954 4.9814 4.9814 9.1477 9.1477 11.6832 11.6832 12.9316 12.9316 13.2075 13.2075 13.2734 13.2734 13.3190 13.3190 k = 0.2143 0.1237-0.0000 ( 4753 PWs) bands (ev): -26.6341 -26.6341 -14.0575 -14.0575 -12.2872 -12.2872 -12.0503 -12.0503 -11.6961 -11.6961 -10.8821 -10.8821 -10.7712 -10.7712 -9.2814 -9.2814 -8.2204 -8.2204 -8.1639 -8.1639 -3.7340 -3.7340 -0.6134 -0.6134 0.0680 0.0680 0.8000 0.8000 0.9455 0.9455 1.2045 1.2045 1.7124 1.7124 3.0766 3.0766 3.4969 3.4969 3.8217 3.8217 3.8322 3.8322 4.1895 4.1895 4.3627 4.3627 4.4506 4.4506 4.5686 4.5686 4.7703 4.7703 4.8944 4.8944 4.9895 4.9895 9.2310 9.2310 11.6589 11.6589 12.9628 12.9628 13.1810 13.1810 13.2744 13.2744 13.3180 13.3180 k = 0.2286 0.1320-0.0000 ( 4749 PWs) bands (ev): -26.6340 -26.6340 -14.0367 -14.0367 -12.3262 -12.3262 -12.0610 -12.0610 -11.6798 -11.6798 -10.8865 -10.8865 -10.7635 -10.7635 -9.2856 -9.2856 -8.2249 -8.2249 -8.1653 -8.1653 -3.6806 -3.6806 -0.6454 -0.6454 0.0694 0.0694 0.8105 0.8105 0.9641 0.9641 1.2077 1.2077 1.7551 1.7551 3.0290 3.0290 3.4618 3.4618 3.8012 3.8012 3.8530 3.8530 4.1694 4.1694 4.3631 4.3631 4.4294 4.4294 4.5658 4.5658 4.7812 4.7812 4.8925 4.8925 4.9964 4.9964 9.3160 9.3160 11.6333 11.6333 12.9903 12.9903 13.1559 13.1559 13.2755 13.2755 13.3181 13.3181 k = 0.2429 0.1402-0.0000 ( 4737 PWs) bands (ev): -26.6340 -26.6340 -14.0148 -14.0148 -12.3661 -12.3661 -12.0716 -12.0716 -11.6628 -11.6628 -10.8920 -10.8920 -10.7558 -10.7558 -9.2898 -9.2898 -8.2296 -8.2296 -8.1666 -8.1666 -3.6252 -3.6252 -0.6793 -0.6793 0.0726 0.0726 0.8204 0.8204 0.9834 0.9834 1.2115 1.2115 1.7955 1.7955 2.9857 2.9857 3.4206 3.4206 3.7776 3.7776 3.8835 3.8835 4.1486 4.1486 4.3627 4.3627 4.4086 4.4086 4.5626 4.5626 4.7921 4.7921 4.8896 4.8896 5.0024 5.0024 9.4024 9.4024 11.6064 11.6064 13.0070 13.0070 13.1386 13.1386 13.2768 13.2768 13.3202 13.3202 k = 0.2571 0.1485-0.0000 ( 4741 PWs) bands (ev): -26.6339 -26.6339 -13.9918 -13.9918 -12.4069 -12.4069 -12.0820 -12.0820 -11.6451 -11.6451 -10.8985 -10.8985 -10.7481 -10.7481 -9.2939 -9.2939 -8.2342 -8.2342 -8.1679 -8.1679 -3.5682 -3.5682 -0.7151 -0.7151 0.0776 0.0776 0.8293 0.8293 1.0031 1.0031 1.2157 1.2157 1.8327 1.8327 2.9475 2.9475 3.3751 3.3751 3.7579 3.7579 3.9149 3.9149 4.1274 4.1274 4.3613 4.3613 4.3887 4.3887 4.5592 4.5592 4.8026 4.8026 4.8858 4.8858 5.0073 5.0073 9.4897 9.4897 11.5781 11.5781 13.0034 13.0034 13.1381 13.1381 13.2781 13.2781 13.3251 13.3251 k = 0.2714 0.1567-0.0000 ( 4735 PWs) bands (ev): -26.6339 -26.6339 -13.9679 -13.9679 -12.4483 -12.4483 -12.0922 -12.0922 -11.6268 -11.6268 -10.9060 -10.9060 -10.7406 -10.7406 -9.2980 -9.2980 -8.2388 -8.2388 -8.1692 -8.1692 -3.5097 -3.5097 -0.7526 -0.7526 0.0844 0.0844 0.8370 0.8370 1.0231 1.0231 1.2205 1.2205 1.8658 1.8658 2.9154 2.9154 3.3269 3.3269 3.7413 3.7413 3.9464 3.9464 4.1058 4.1058 4.3588 4.3588 4.3706 4.3706 4.5557 4.5557 4.8124 4.8124 4.8811 4.8811 5.0114 5.0114 9.5775 9.5775 11.5487 11.5487 12.9801 12.9801 13.1525 13.1525 13.2795 13.2795 13.3346 13.3346 k = 0.2857 0.1650-0.0000 ( 4743 PWs) bands (ev): -26.6339 -26.6339 -13.9432 -13.9432 -12.4901 -12.4901 -12.1021 -12.1021 -11.6080 -11.6080 -10.9145 -10.9145 -10.7333 -10.7333 -9.3021 -9.3021 -8.2433 -8.2433 -8.1703 -8.1703 -3.4502 -3.4502 -0.7917 -0.7917 0.0929 0.0929 0.8433 0.8433 1.0432 1.0432 1.2259 1.2259 1.8940 1.8940 2.8902 2.8902 3.2775 3.2775 3.7272 3.7272 3.9769 3.9769 4.0841 4.0841 4.3502 4.3502 4.3597 4.3597 4.5523 4.5523 4.8212 4.8212 4.8755 4.8755 5.0148 5.0148 9.6655 9.6655 11.5183 11.5183 12.9463 12.9463 13.1709 13.1709 13.2809 13.2809 13.3509 13.3509 k = 0.3000 0.1732-0.0000 ( 4751 PWs) bands (ev): -26.6338 -26.6338 -13.9176 -13.9176 -12.5321 -12.5321 -12.1116 -12.1116 -11.5887 -11.5887 -10.9239 -10.9239 -10.7262 -10.7262 -9.3060 -9.3060 -8.2477 -8.2477 -8.1714 -8.1714 -3.3900 -3.3900 -0.8321 -0.8321 0.1032 0.1032 0.8480 0.8480 1.0630 1.0630 1.2318 1.2318 1.9167 1.9167 2.8726 2.8726 3.2280 3.2280 3.7149 3.7149 4.0056 4.0056 4.0622 4.0622 4.3366 4.3366 4.3557 4.3557 4.5490 4.5490 4.8289 4.8289 4.8690 4.8690 5.0176 5.0176 9.7532 9.7532 11.4869 11.4869 12.9077 12.9077 13.1866 13.1866 13.2823 13.2823 13.3752 13.3752 k = 0.3143 0.1815-0.0000 ( 4749 PWs) bands (ev): -26.6338 -26.6338 -13.8915 -13.8915 -12.5740 -12.5740 -12.1207 -12.1207 -11.5691 -11.5691 -10.9343 -10.9343 -10.7195 -10.7195 -9.3098 -9.3098 -8.2520 -8.2520 -8.1724 -8.1724 -3.3295 -3.3295 -0.8736 -0.8736 0.1151 0.1151 0.8509 0.8509 1.0824 1.0824 1.2384 1.2384 1.9334 1.9334 2.8629 2.8629 3.1792 3.1792 3.7042 3.7042 4.0309 4.0309 4.0406 4.0406 4.3255 4.3255 4.3522 4.3522 4.5459 4.5459 4.8352 4.8352 4.8617 4.8617 5.0201 5.0201 9.8403 9.8403 11.4546 11.4546 12.8669 12.8669 13.1977 13.1977 13.2835 13.2835 13.4075 13.4075 k = 0.3286 0.1897-0.0000 ( 4745 PWs) bands (ev): -26.6338 -26.6338 -13.8648 -13.8648 -12.6157 -12.6157 -12.1294 -12.1294 -11.5493 -11.5493 -10.9455 -10.9455 -10.7130 -10.7130 -9.3134 -9.3134 -8.2561 -8.2561 -8.1733 -8.1733 -3.2691 -3.2691 -0.9158 -0.9158 0.1286 0.1286 0.8519 0.8519 1.1009 1.1009 1.2457 1.2457 1.9443 1.9443 2.8609 2.8609 3.1319 3.1319 3.6946 3.6946 4.0182 4.0182 4.0530 4.0530 4.3188 4.3188 4.3485 4.3485 4.5431 4.5431 4.8401 4.8401 4.8538 4.8538 5.0223 5.0223 9.9265 9.9265 11.4215 11.4215 12.8250 12.8250 13.2045 13.2045 13.2847 13.2847 13.4464 13.4464 k = 0.3429 0.1979-0.0000 ( 4753 PWs) bands (ev): -26.6337 -26.6337 -13.8378 -13.8378 -12.6568 -12.6568 -12.1375 -12.1375 -11.5293 -11.5293 -10.9575 -10.9575 -10.7070 -10.7070 -9.3168 -9.3168 -8.2600 -8.2600 -8.1742 -8.1742 -3.2093 -3.2093 -0.9585 -0.9585 0.1434 0.1434 0.8508 0.8508 1.1183 1.1183 1.2536 1.2536 1.9499 1.9499 2.8660 2.8660 3.0867 3.0867 3.6861 3.6861 3.9967 3.9967 4.0690 4.0690 4.3178 4.3178 4.3447 4.3447 4.5406 4.5406 4.8422 4.8422 4.8464 4.8464 5.0244 5.0244 10.0113 10.0113 11.3878 11.3878 12.7829 12.7829 13.2083 13.2083 13.2859 13.2859 13.4898 13.4898 k = 0.3571 0.2062-0.0000 ( 4757 PWs) bands (ev): -26.6337 -26.6337 -13.8107 -13.8107 -12.6971 -12.6971 -12.1451 -12.1451 -11.5093 -11.5093 -10.9701 -10.9701 -10.7014 -10.7014 -9.3200 -9.3200 -8.2636 -8.2636 -8.1749 -8.1749 -3.1506 -3.1506 -1.0012 -1.0012 0.1593 0.1593 0.8477 0.8477 1.1342 1.1342 1.2621 1.2621 1.9509 1.9509 2.8772 2.8772 3.0440 3.0440 3.6786 3.6786 3.9755 3.9755 4.0789 4.0789 4.3229 4.3229 4.3407 4.3407 4.5383 4.5383 4.8346 4.8346 4.8466 4.8466 5.0265 5.0265 10.0943 10.0943 11.3535 11.3535 12.7413 12.7413 13.2102 13.2102 13.2872 13.2872 13.5365 13.5365 k = 0.3714 0.2144-0.0000 ( 4753 PWs) bands (ev): -26.6337 -26.6337 -13.7837 -13.7837 -12.7361 -12.7361 -12.1520 -12.1520 -11.4895 -11.4895 -10.9832 -10.9832 -10.6962 -10.6962 -9.3229 -9.3229 -8.2669 -8.2669 -8.1756 -8.1756 -3.0936 -3.0936 -1.0433 -1.0433 0.1761 0.1761 0.8426 0.8426 1.1486 1.1486 1.2712 1.2712 1.9485 1.9485 2.8932 2.8932 3.0044 3.0044 3.6719 3.6719 3.9548 3.9548 4.0830 4.0830 4.3336 4.3336 4.3369 4.3369 4.5363 4.5363 4.8246 4.8246 4.8475 4.8475 5.0286 5.0286 10.1751 10.1751 11.3188 11.3188 12.7007 12.7007 13.2108 13.2108 13.2887 13.2887 13.5853 13.5853 k = 0.3857 0.2227-0.0000 ( 4749 PWs) bands (ev): -26.6336 -26.6336 -13.7572 -13.7572 -12.7736 -12.7736 -12.1584 -12.1584 -11.4702 -11.4702 -10.9966 -10.9966 -10.6915 -10.6915 -9.3256 -9.3256 -8.2700 -8.2700 -8.1762 -8.1762 -3.0391 -3.0391 -1.0844 -1.0844 0.1935 0.1935 0.8357 0.8357 1.1611 1.1611 1.2806 1.2806 1.9436 1.9436 2.9119 2.9119 2.9686 2.9686 3.6660 3.6660 3.9350 3.9350 4.0825 4.0825 4.3329 4.3329 4.3492 4.3492 4.5345 4.5345 4.8141 4.8141 4.8474 4.8474 5.0308 5.0308 10.2532 10.2532 11.2836 11.2836 12.6619 12.6619 13.2108 13.2108 13.2902 13.2902 13.6355 13.6355 k = 0.4000 0.2309-0.0000 ( 4743 PWs) bands (ev): -26.6336 -26.6336 -13.7316 -13.7316 -12.8091 -12.8091 -12.1640 -12.1640 -11.4514 -11.4514 -11.0101 -11.0101 -10.6873 -10.6873 -9.3280 -9.3280 -8.2727 -8.2727 -8.1767 -8.1767 -2.9877 -2.9877 -1.1237 -1.1237 0.2111 0.2111 0.8274 0.8274 1.1718 1.1718 1.2902 1.2902 1.9374 1.9374 2.9249 2.9249 2.9441 2.9441 3.6609 3.6609 3.9161 3.9161 4.0789 4.0789 4.3292 4.3292 4.3672 4.3672 4.5329 4.5329 4.8032 4.8032 4.8464 4.8464 5.0329 5.0329 10.3282 10.3282 11.2483 11.2483 12.6254 12.6254 13.2103 13.2103 13.2917 13.2917 13.6862 13.6862 k = 0.4143 0.2392-0.0000 ( 4755 PWs) bands (ev): -26.6336 -26.6336 -13.7073 -13.7073 -12.8421 -12.8421 -12.1690 -12.1690 -11.4337 -11.4337 -11.0232 -11.0232 -10.6836 -10.6836 -9.3301 -9.3301 -8.2752 -8.2752 -8.1772 -8.1772 -2.9404 -2.9404 -1.1604 -1.1604 0.2283 0.2283 0.8180 0.8180 1.1808 1.1808 1.2994 1.2994 1.9306 1.9306 2.9030 2.9030 2.9589 2.9589 3.6565 3.6565 3.8986 3.8986 4.0735 4.0735 4.3259 4.3259 4.3864 4.3864 4.5315 4.5315 4.7922 4.7922 4.8450 4.8450 5.0350 5.0350 10.3991 10.3991 11.2130 11.2130 12.5920 12.5920 13.2096 13.2096 13.2932 13.2932 13.7367 13.7367 k = 0.4286 0.2474-0.0000 ( 4754 PWs) bands (ev): -26.6336 -26.6336 -13.6849 -13.6849 -12.8719 -12.8719 -12.1733 -12.1733 -11.4172 -11.4172 -11.0358 -11.0358 -10.6804 -10.6804 -9.3319 -9.3319 -8.2772 -8.2772 -8.1775 -8.1775 -2.8979 -2.8979 -1.1938 -1.1938 0.2446 0.2446 0.8082 0.8082 1.1881 1.1881 1.3081 1.3081 1.9240 1.9240 2.8787 2.8787 2.9794 2.9794 3.6529 3.6529 3.8828 3.8828 4.0676 4.0676 4.3229 4.3229 4.4054 4.4054 4.5304 4.5304 4.7816 4.7816 4.8432 4.8432 5.0368 5.0368 10.4653 10.4653 11.1781 11.1781 12.5622 12.5622 13.2089 13.2089 13.2947 13.2947 13.7863 13.7863 k = 0.4429 0.2557-0.0000 ( 4746 PWs) bands (ev): -26.6336 -26.6336 -13.6650 -13.6650 -12.8978 -12.8978 -12.1768 -12.1768 -11.4026 -11.4026 -11.0472 -11.0472 -10.6778 -10.6778 -9.3334 -9.3334 -8.2789 -8.2789 -8.1778 -8.1778 -2.8614 -2.8614 -1.2228 -1.2228 0.2594 0.2594 0.7986 0.7986 1.1938 1.1938 1.3158 1.3158 1.9180 1.9180 2.8581 2.8581 2.9984 2.9984 3.6499 3.6499 3.8691 3.8691 4.0620 4.0620 4.3204 4.3204 4.4229 4.4229 4.5295 4.5295 4.7716 4.7716 4.8414 4.8414 5.0385 5.0385 10.5255 10.5255 11.1443 11.1443 12.5367 12.5367 13.2082 13.2082 13.2960 13.2960 13.8337 13.8337 k = 0.4571 0.2639-0.0000 ( 4752 PWs) bands (ev): -26.6336 -26.6336 -13.6485 -13.6485 -12.9191 -12.9191 -12.1795 -12.1795 -11.3903 -11.3903 -11.0570 -11.0570 -10.6758 -10.6758 -9.3346 -9.3346 -8.2803 -8.2803 -8.1781 -8.1781 -2.8316 -2.8316 -1.2467 -1.2467 0.2720 0.2720 0.7900 0.7900 1.1981 1.1981 1.3221 1.3221 1.9131 1.9131 2.8418 2.8418 3.0145 3.0145 3.6476 3.6476 3.8578 3.8578 4.0571 4.0571 4.3183 4.3183 4.4379 4.4379 4.5288 4.5288 4.7628 4.7628 4.8397 4.8397 5.0399 5.0399 10.5778 10.5778 11.1131 11.1131 12.5161 12.5161 13.2076 13.2076 13.2971 13.2971 13.8769 13.8769 k = 0.4714 0.2722-0.0000 ( 4748 PWs) bands (ev): -26.6336 -26.6336 -13.6359 -13.6359 -12.9351 -12.9351 -12.1815 -12.1815 -11.3809 -11.3809 -11.0646 -11.0646 -10.6743 -10.6743 -9.3354 -9.3354 -8.2812 -8.2812 -8.1782 -8.1782 -2.8097 -2.8097 -1.2645 -1.2645 0.2816 0.2816 0.7831 0.7831 1.2012 1.2012 1.3268 1.3268 1.9095 1.9095 2.8300 2.8300 3.0267 3.0267 3.6460 3.6460 3.8494 3.8494 4.0533 4.0533 4.3168 4.3168 4.4494 4.4494 4.5284 4.5284 4.7559 4.7559 4.8384 4.8384 5.0409 5.0409 10.6196 10.6196 11.0868 11.0868 12.5010 12.5010 13.2072 13.2072 13.2979 13.2979 13.9130 13.9130 k = 0.4857 0.2804-0.0000 ( 4750 PWs) bands (ev): -26.6336 -26.6336 -13.6281 -13.6281 -12.9449 -12.9449 -12.1827 -12.1827 -11.3750 -11.3750 -11.0694 -11.0694 -10.6734 -10.6734 -9.3359 -9.3359 -8.2818 -8.2818 -8.1783 -8.1783 -2.7961 -2.7961 -1.2754 -1.2754 0.2877 0.2877 0.7787 0.7787 1.2029 1.2029 1.3298 1.3298 1.9072 1.9072 2.8229 2.8229 3.0343 3.0343 3.6450 3.6450 3.8443 3.8443 4.0510 4.0510 4.3159 4.3159 4.4567 4.4567 4.5281 4.5281 4.7514 4.7514 4.8375 4.8375 5.0415 5.0415 10.6472 10.6472 11.0685 11.0685 12.4918 12.4918 13.2069 13.2069 13.2984 13.2984 13.9376 13.9376 k = 0.5000 0.2887-0.0000 ( 4748 PWs) bands (ev): -26.6335 -26.6335 -13.6254 -13.6254 -12.9483 -12.9483 -12.1831 -12.1831 -11.3730 -11.3730 -11.0711 -11.0711 -10.6731 -10.6731 -9.3361 -9.3361 -8.2820 -8.2820 -8.1783 -8.1783 -2.7916 -2.7916 -1.2792 -1.2792 0.2898 0.2898 0.7771 0.7771 1.2035 1.2035 1.3307 1.3307 1.9065 1.9065 2.8206 2.8206 3.0369 3.0369 3.6447 3.6447 3.8425 3.8425 4.0502 4.0502 4.3156 4.3156 4.4592 4.4592 4.5280 4.5280 4.7499 4.7499 4.8372 4.8372 5.0418 5.0418 10.6570 10.6570 11.0619 11.0619 12.4887 12.4887 13.2068 13.2068 13.2986 13.2986 13.9464 13.9464 k = 0.5000 0.2887-0.0000 ( 4748 PWs) bands (ev): -26.6335 -26.6335 -13.6254 -13.6254 -12.9483 -12.9483 -12.1831 -12.1831 -11.3730 -11.3730 -11.0711 -11.0711 -10.6731 -10.6731 -9.3361 -9.3361 -8.2820 -8.2820 -8.1783 -8.1783 -2.7916 -2.7916 -1.2792 -1.2792 0.2898 0.2898 0.7771 0.7771 1.2035 1.2035 1.3307 1.3307 1.9065 1.9065 2.8206 2.8206 3.0369 3.0369 3.6447 3.6447 3.8425 3.8425 4.0502 4.0502 4.3156 4.3156 4.4592 4.4592 4.5280 4.5280 4.7499 4.7499 4.8372 4.8372 5.0418 5.0418 10.6570 10.6570 11.0619 11.0619 12.4887 12.4887 13.2068 13.2068 13.2986 13.2986 13.9464 13.9464 k = 0.4917 0.3031-0.0000 ( 4756 PWs) bands (ev): -26.6336 -26.6336 -13.6246 -13.6246 -12.9493 -12.9493 -12.1832 -12.1832 -11.3726 -11.3726 -11.0714 -11.0714 -10.6732 -10.6732 -9.3360 -9.3360 -8.2820 -8.2820 -8.1784 -8.1784 -2.7895 -2.7895 -1.2816 -1.2816 0.2902 0.2902 0.7764 0.7764 1.2039 1.2039 1.3332 1.3332 1.9069 1.9069 2.8191 2.8191 3.0308 3.0308 3.6497 3.6497 3.8441 3.8441 4.0504 4.0504 4.3157 4.3157 4.4579 4.4579 4.5277 4.5277 4.7498 4.7498 4.8375 4.8375 5.0417 5.0417 10.6576 10.6576 11.0618 11.0618 12.4893 12.4893 13.2012 13.2012 13.2981 13.2981 13.9471 13.9471 k = 0.4833 0.3175-0.0000 ( 4752 PWs) bands (ev): -26.6335 -26.6335 -13.6221 -13.6221 -12.9523 -12.9523 -12.1835 -12.1835 -11.3712 -11.3712 -11.0725 -11.0725 -10.6736 -10.6736 -9.3359 -9.3359 -8.2821 -8.2821 -8.1784 -8.1784 -2.7832 -2.7832 -1.2889 -1.2889 0.2915 0.2915 0.7741 0.7741 1.2053 1.2053 1.3405 1.3405 1.9083 1.9083 2.8149 2.8149 3.0132 3.0132 3.6643 3.6643 3.8487 3.8487 4.0511 4.0511 4.3158 4.3158 4.4541 4.4541 4.5266 4.5266 4.7494 4.7494 4.8382 4.8382 5.0416 5.0416 10.6594 10.6594 11.0618 11.0618 12.4911 12.4911 13.1847 13.1847 13.2966 13.2966 13.9488 13.9488 k = 0.4750 0.3320-0.0000 ( 4744 PWs) bands (ev): -26.6335 -26.6335 -13.6179 -13.6179 -12.9572 -12.9572 -12.1840 -12.1840 -11.3688 -11.3688 -11.0742 -11.0742 -10.6742 -10.6742 -9.3358 -9.3358 -8.2821 -8.2821 -8.1786 -8.1786 -2.7727 -2.7727 -1.3010 -1.3010 0.2936 0.2936 0.7704 0.7704 1.2076 1.2076 1.3521 1.3521 1.9107 1.9107 2.8080 2.8080 2.9857 2.9857 3.6867 3.6867 3.8563 3.8563 4.0522 4.0522 4.3159 4.3159 4.4480 4.4480 4.5248 4.5248 4.7487 4.7487 4.8392 4.8392 5.0415 5.0415 10.6624 10.6624 11.0618 11.0618 12.4940 12.4940 13.1587 13.1587 13.2944 13.2944 13.9510 13.9510 k = 0.4667 0.3464-0.0000 ( 4732 PWs) bands (ev): -26.6335 -26.6335 -13.6121 -13.6121 -12.9641 -12.9641 -12.1847 -12.1847 -11.3656 -11.3656 -11.0766 -11.0766 -10.6751 -10.6751 -9.3356 -9.3356 -8.2822 -8.2822 -8.1787 -8.1787 -2.7582 -2.7582 -1.3178 -1.3178 0.2966 0.2966 0.7651 0.7651 1.2113 1.2113 1.3676 1.3676 1.9141 1.9141 2.7986 2.7986 2.9502 2.9502 3.7152 3.7152 3.8666 3.8666 4.0537 4.0537 4.3159 4.3159 4.4400 4.4400 4.5224 4.5224 4.7478 4.7478 4.8402 4.8402 5.0414 5.0414 10.6666 10.6666 11.0617 11.0617 12.4980 12.4980 13.1248 13.1248 13.2919 13.2919 13.9532 13.9532 k = 0.4583 0.3608-0.0000 ( 4724 PWs) bands (ev): -26.6335 -26.6335 -13.6046 -13.6046 -12.9730 -12.9730 -12.1856 -12.1856 -11.3615 -11.3615 -11.0796 -11.0796 -10.6761 -10.6761 -9.3353 -9.3353 -8.2823 -8.2823 -8.1789 -8.1789 -2.7395 -2.7395 -1.3391 -1.3391 0.3006 0.3006 0.7585 0.7585 1.2164 1.2164 1.3865 1.3865 1.9186 1.9186 2.7869 2.7869 2.9085 2.9085 3.7478 3.7478 3.8794 3.8794 4.0555 4.0555 4.3155 4.3155 4.4305 4.4305 4.5195 4.5195 4.7464 4.7464 4.8411 4.8411 5.0413 5.0413 10.6721 10.6721 11.0614 11.0614 12.5029 12.5029 13.0852 13.0852 13.2890 13.2890 13.9547 13.9547 k = 0.4500 0.3753-0.0000 ( 4730 PWs) bands (ev): -26.6335 -26.6335 -13.5954 -13.5954 -12.9837 -12.9837 -12.1867 -12.1867 -11.3564 -11.3564 -11.0832 -11.0832 -10.6775 -10.6775 -9.3350 -9.3350 -8.2824 -8.2824 -8.1791 -8.1791 -2.7169 -2.7169 -1.3647 -1.3647 0.3056 0.3056 0.7505 0.7505 1.2229 1.2229 1.4082 1.4082 1.9243 1.9243 2.7733 2.7733 2.8624 2.8624 3.7829 3.7829 3.8942 3.8942 4.0577 4.0577 4.3145 4.3145 4.4204 4.4204 4.5163 4.5163 4.7445 4.7445 4.8414 4.8414 5.0413 5.0413 10.6788 10.6788 11.0607 11.0607 12.5086 12.5086 13.0420 13.0420 13.2857 13.2857 13.9553 13.9553 k = 0.4417 0.3897-0.0000 ( 4738 PWs) bands (ev): -26.6335 -26.6335 -13.5846 -13.5846 -12.9964 -12.9964 -12.1880 -12.1880 -11.3505 -11.3505 -11.0875 -11.0875 -10.6790 -10.6790 -9.3347 -9.3347 -8.2826 -8.2826 -8.1793 -8.1793 -2.6904 -2.6904 -1.3945 -1.3945 0.3116 0.3116 0.7413 0.7413 1.2306 1.2306 1.4321 1.4321 1.9315 1.9315 2.7579 2.7579 2.8131 2.8131 3.8194 3.8194 3.9108 3.9108 4.0601 4.0601 4.3123 4.3123 4.4104 4.4104 4.5127 4.5127 4.7422 4.7422 4.8408 4.8408 5.0415 5.0415 10.6869 10.6869 11.0597 11.0597 12.5150 12.5150 12.9968 12.9968 13.2822 13.2822 13.9550 13.9550 k = 0.4333 0.4041-0.0000 ( 4739 PWs) bands (ev): -26.6335 -26.6335 -13.5722 -13.5722 -13.0108 -13.0108 -12.1894 -12.1894 -11.3438 -11.3438 -11.0924 -11.0924 -10.6806 -10.6806 -9.3343 -9.3343 -8.2828 -8.2828 -8.1795 -8.1795 -2.6600 -2.6600 -1.4282 -1.4282 0.3189 0.3189 0.7307 0.7307 1.2394 1.2394 1.4579 1.4579 1.9401 1.9401 2.7403 2.7403 2.7625 2.7625 3.8564 3.8564 3.9288 3.9288 4.0626 4.0626 4.3082 4.3082 4.4016 4.4016 4.5090 4.5090 4.7395 4.7395 4.8392 4.8392 5.0419 5.0419 10.6964 10.6964 11.0581 11.0581 12.5218 12.5218 12.9513 12.9513 13.2784 13.2784 13.9537 13.9537 k = 0.4250 0.4186-0.0000 ( 4731 PWs) bands (ev): -26.6335 -26.6335 -13.5581 -13.5581 -13.0270 -13.0270 -12.1909 -12.1909 -11.3362 -11.3362 -11.0979 -11.0979 -10.6824 -10.6824 -9.3340 -9.3340 -8.2830 -8.2830 -8.1797 -8.1797 -2.6260 -2.6260 -1.4655 -1.4655 0.3273 0.3273 0.7190 0.7190 1.2490 1.2490 1.4852 1.4852 1.9505 1.9505 2.7047 2.7047 2.7273 2.7273 3.8929 3.8929 3.9477 3.9477 4.0653 4.0653 4.3015 4.3015 4.3951 4.3951 4.5052 4.5052 4.7364 4.7364 4.8364 4.8364 5.0425 5.0425 10.7072 10.7072 11.0558 11.0558 12.5288 12.5288 12.9066 12.9066 13.2745 13.2745 13.9517 13.9517 k = 0.4167 0.4330-0.0000 ( 4731 PWs) bands (ev): -26.6335 -26.6335 -13.5425 -13.5425 -13.0449 -13.0449 -12.1925 -12.1925 -11.3278 -11.3278 -11.1040 -11.1040 -10.6844 -10.6844 -9.3337 -9.3337 -8.2833 -8.2833 -8.1799 -8.1799 -2.5884 -2.5884 -1.5063 -1.5063 0.3370 0.3370 0.7062 0.7062 1.2589 1.2589 1.5134 1.5134 1.9626 1.9626 2.6515 2.6515 2.7082 2.7082 3.9285 3.9285 3.9673 3.9673 4.0680 4.0680 4.2918 4.2918 4.3916 4.3916 4.5014 4.5014 4.7330 4.7330 4.8320 4.8320 5.0433 5.0433 10.7195 10.7195 11.0525 11.0525 12.5357 12.5357 12.8637 12.8637 13.2705 13.2705 13.9493 13.9493 k = 0.4083 0.4474-0.0000 ( 4731 PWs) bands (ev): -26.6335 -26.6335 -13.5252 -13.5252 -13.0645 -13.0645 -12.1942 -12.1942 -11.3186 -11.3186 -11.1108 -11.1108 -10.6863 -10.6863 -9.3334 -9.3334 -8.2836 -8.2836 -8.1801 -8.1801 -2.5475 -2.5475 -1.5503 -1.5503 0.3479 0.3479 0.6923 0.6923 1.2690 1.2690 1.5422 1.5422 1.9766 1.9766 2.5968 2.5968 2.6900 2.6900 3.9625 3.9625 3.9874 3.9874 4.0707 4.0707 4.2794 4.2794 4.3912 4.3912 4.4976 4.4976 4.7296 4.7296 4.8261 4.8261 5.0443 5.0443 10.7333 10.7333 11.0482 11.0482 12.5422 12.5422 12.8236 12.8236 13.2664 13.2664 13.9468 13.9468 k = 0.4000 0.4619-0.0000 ( 4735 PWs) bands (ev): -26.6335 -26.6335 -13.5064 -13.5064 -13.0857 -13.0857 -12.1959 -12.1959 -11.3086 -11.3086 -11.1182 -11.1182 -10.6883 -10.6883 -9.3332 -9.3332 -8.2840 -8.2840 -8.1802 -8.1802 -2.5032 -2.5032 -1.5972 -1.5972 0.3602 0.3602 0.6773 0.6773 1.2787 1.2787 1.5711 1.5711 1.9927 1.9927 2.5420 2.5420 2.6721 2.6721 3.9939 3.9939 4.0078 4.0078 4.0732 4.0732 4.2648 4.2648 4.3935 4.3935 4.4937 4.4937 4.7263 4.7263 4.8186 4.8186 5.0454 5.0454 10.7486 10.7486 11.0425 11.0425 12.5479 12.5479 12.7871 12.7871 13.2625 13.2625 13.9445 13.9445 k = 0.3917 0.4763-0.0000 ( 4733 PWs) bands (ev): -26.6335 -26.6335 -13.4861 -13.4861 -13.1083 -13.1083 -12.1975 -12.1975 -11.2980 -11.2980 -11.1263 -11.1263 -10.6902 -10.6902 -9.3330 -9.3330 -8.2844 -8.2844 -8.1803 -8.1803 -2.4559 -2.4559 -1.6469 -1.6469 0.3737 0.3737 0.6615 0.6615 1.2880 1.2880 1.5997 1.5997 2.0107 2.0107 2.4878 2.4878 2.6547 2.6547 4.0207 4.0207 4.0301 4.0301 4.0757 4.0757 4.2489 4.2489 4.3980 4.3980 4.4899 4.4899 4.7234 4.7234 4.8097 4.8097 5.0466 5.0466 10.7653 10.7653 11.0353 11.0353 12.5522 12.5522 12.7549 12.7549 13.2588 13.2588 13.9427 13.9428 k = 0.3833 0.4907-0.0000 ( 4733 PWs) bands (ev): -26.6335 -26.6335 -13.4642 -13.4642 -13.1324 -13.1324 -12.1991 -12.1991 -11.2866 -11.2866 -11.1352 -11.1352 -10.6919 -10.6919 -9.3328 -9.3328 -8.2848 -8.2848 -8.1804 -8.1804 -2.4057 -2.4057 -1.6990 -1.6990 0.3884 0.3884 0.6447 0.6447 1.2963 1.2963 1.6274 1.6274 2.0307 2.0307 2.4346 2.4346 2.6383 2.6383 4.0415 4.0415 4.0548 4.0548 4.0780 4.0780 4.2322 4.2322 4.4044 4.4044 4.4860 4.4860 4.7211 4.7211 4.7993 4.7993 5.0478 5.0478 10.7836 10.7836 11.0264 11.0264 12.5550 12.5550 12.7276 12.7276 13.2554 13.2554 13.9417 13.9417 k = 0.3750 0.5052-0.0000 ( 4725 PWs) bands (ev): -26.6335 -26.6335 -13.4408 -13.4408 -13.1578 -13.1578 -12.2006 -12.2006 -11.2747 -11.2747 -11.1449 -11.1449 -10.6935 -10.6935 -9.3327 -9.3327 -8.2852 -8.2852 -8.1805 -8.1805 -2.3528 -2.3528 -1.7535 -1.7535 0.4043 0.4043 0.6272 0.6272 1.3037 1.3037 1.6536 1.6536 2.0526 2.0526 2.3831 2.3831 2.6230 2.6230 4.0590 4.0590 4.0779 4.0779 4.0809 4.0809 4.2152 4.2152 4.4122 4.4122 4.4820 4.4820 4.7197 4.7197 4.7880 4.7880 5.0491 5.0491 10.8032 10.8032 11.0153 11.0153 12.5557 12.5557 12.7058 12.7058 13.2525 13.2525 13.9417 13.9417 k = 0.3667 0.5196-0.0000 ( 4725 PWs) bands (ev): -26.6334 -26.6334 -13.4160 -13.4160 -13.1845 -13.1845 -12.2019 -12.2019 -11.2621 -11.2621 -11.1554 -11.1554 -10.6948 -10.6948 -9.3326 -9.3326 -8.2855 -8.2855 -8.1805 -8.1805 -2.2974 -2.2974 -1.8100 -1.8100 0.4211 0.4211 0.6091 0.6091 1.3098 1.3098 1.6776 1.6776 2.0760 2.0760 2.3340 2.3340 2.6094 2.6094 4.0724 4.0724 4.0854 4.0854 4.0986 4.0986 4.1983 4.1983 4.4210 4.4210 4.4777 4.4777 4.7195 4.7195 4.7759 4.7759 5.0502 5.0502 10.8243 10.8243 11.0020 11.0020 12.5544 12.5544 12.6894 12.6894 13.2500 13.2500 13.9425 13.9425 k = 0.3583 0.5340-0.0000 ( 4723 PWs) bands (ev): -26.6334 -26.6334 -13.3898 -13.3898 -13.2122 -13.2122 -12.2031 -12.2031 -11.2489 -11.2489 -11.1669 -11.1669 -10.6959 -10.6959 -9.3326 -9.3326 -8.2859 -8.2859 -8.1806 -8.1806 -2.2398 -2.2398 -1.8685 -1.8685 0.4383 0.4383 0.5910 0.5910 1.3146 1.3146 1.6984 1.6984 2.1008 2.1008 2.2882 2.2882 2.5979 2.5979 4.0779 4.0779 4.0966 4.0966 4.1153 4.1153 4.1818 4.1818 4.4305 4.4305 4.4731 4.4731 4.7206 4.7206 4.7638 4.7638 5.0511 5.0511 10.8467 10.8467 10.9862 10.9862 12.5517 12.5517 12.6782 12.6782 13.2480 13.2480 13.9442 13.9442 k = 0.3500 0.5485-0.0000 ( 4715 PWs) bands (ev): -26.6334 -26.6334 -13.3623 -13.3623 -13.2409 -13.2409 -12.2039 -12.2039 -11.2353 -11.2353 -11.1792 -11.1792 -10.6967 -10.6967 -9.3325 -9.3325 -8.2861 -8.2861 -8.1806 -8.1806 -2.1802 -2.1802 -1.9285 -1.9285 0.4551 0.4551 0.5736 0.5736 1.3181 1.3181 1.7149 1.7149 2.1262 2.1262 2.2468 2.2468 2.5889 2.5889 4.0796 4.0796 4.1098 4.1098 4.1281 4.1281 4.1660 4.1660 4.4399 4.4399 4.4680 4.4680 4.7229 4.7229 4.7525 4.7525 5.0518 5.0518 10.8703 10.8703 10.9676 10.9676 12.5485 12.5485 12.6713 12.6713 13.2466 13.2466 13.9464 13.9464 k = 0.3417 0.5629-0.0000 ( 4709 PWs) bands (ev): -26.6334 -26.6334 -13.3337 -13.3337 -13.2702 -13.2702 -12.2044 -12.2044 -11.2212 -11.2212 -11.1925 -11.1925 -10.6971 -10.6971 -9.3325 -9.3325 -8.2863 -8.2863 -8.1806 -8.1806 -2.1191 -2.1191 -1.9898 -1.9898 0.4691 0.4691 0.5592 0.5592 1.3201 1.3201 1.7257 1.7257 2.1514 2.1514 2.2116 2.2116 2.5831 2.5831 4.0802 4.0802 4.1222 4.1222 4.1367 4.1367 4.1514 4.1514 4.4485 4.4485 4.4625 4.4625 4.7263 4.7263 4.7431 4.7431 5.0523 5.0523 10.8952 10.8952 10.9460 10.9460 12.5460 12.5460 12.6677 12.6677 13.2458 13.2458 13.9484 13.9484 k = 0.3333 0.5774-0.0000 ( 4701 PWs) bands (ev): -26.6334 -26.6334 -13.3106 -13.3106 -13.2936 -13.2936 -12.2046 -12.2046 -11.2072 -11.2072 -11.2062 -11.2062 -10.6973 -10.6973 -9.3325 -9.3325 -8.2864 -8.2864 -8.1806 -8.1806 -2.0675 -2.0675 -2.0414 -2.0414 0.4753 0.4753 0.5529 0.5529 1.3208 1.3208 1.7296 1.7296 2.1684 2.1684 2.1912 2.1912 2.5810 2.5810 4.0804 4.0804 4.1307 4.1307 4.1387 4.1387 4.1432 4.1432 4.4545 4.4545 4.4577 4.4577 4.7286 4.7286 4.7387 4.7387 5.0525 5.0525 10.9210 10.9210 10.9215 10.9215 12.5450 12.5450 12.6666 12.6666 13.2455 13.2455 13.9494 13.9494 k = 0.3333 0.5774-0.0000 ( 4701 PWs) bands (ev): -26.6334 -26.6334 -13.3106 -13.3106 -13.2936 -13.2936 -12.2046 -12.2046 -11.2072 -11.2072 -11.2062 -11.2062 -10.6973 -10.6973 -9.3325 -9.3325 -8.2864 -8.2864 -8.1806 -8.1806 -2.0675 -2.0675 -2.0414 -2.0414 0.4753 0.4753 0.5529 0.5529 1.3208 1.3208 1.7296 1.7296 2.1684 2.1684 2.1912 2.1912 2.5810 2.5810 4.0804 4.0804 4.1307 4.1307 4.1387 4.1387 4.1432 4.1432 4.4545 4.4545 4.4577 4.4577 4.7286 4.7286 4.7387 4.7387 5.0525 5.0525 10.9210 10.9210 10.9215 10.9215 12.5450 12.5450 12.6666 12.6666 13.2455 13.2455 13.9494 13.9494 k = 0.3250 0.5629-0.0000 ( 4711 PWs) bands (ev): -26.6334 -26.6334 -13.3347 -13.3347 -13.2693 -13.2693 -12.2044 -12.2044 -11.2219 -11.2219 -11.1918 -11.1918 -10.6971 -10.6971 -9.3325 -9.3325 -8.2863 -8.2863 -8.1806 -8.1806 -2.1205 -2.1205 -1.9885 -1.9885 0.4687 0.4687 0.5596 0.5596 1.3201 1.3201 1.7255 1.7255 2.1552 2.1552 2.2078 2.2078 2.5833 2.5833 4.0803 4.0803 4.1218 4.1218 4.1419 4.1419 4.1467 4.1467 4.4491 4.4491 4.4618 4.4618 4.7272 4.7272 4.7425 4.7425 5.0523 5.0523 10.8929 10.8929 10.9482 10.9482 12.5461 12.5461 12.6676 12.6676 13.2458 13.2458 13.9480 13.9480 k = 0.3167 0.5485-0.0000 ( 4711 PWs) bands (ev): -26.6334 -26.6334 -13.3662 -13.3662 -13.2368 -13.2368 -12.2038 -12.2038 -11.2379 -11.2379 -11.1767 -11.1767 -10.6968 -10.6968 -9.3325 -9.3325 -8.2861 -8.2861 -8.1806 -8.1806 -2.1856 -2.1856 -1.9233 -1.9233 0.4527 0.4527 0.5758 0.5758 1.3182 1.3182 1.7129 1.7129 2.1422 2.1422 2.2308 2.2308 2.5906 2.5906 4.0801 4.0801 4.1103 4.1103 4.1381 4.1381 4.1555 4.1555 4.4419 4.4419 4.4649 4.4649 4.7270 4.7270 4.7498 4.7498 5.0518 5.0518 10.8611 10.8611 10.9761 10.9761 12.5496 12.5496 12.6707 12.6707 13.2465 13.2465 13.9428 13.9428 k = 0.3083 0.5340-0.0000 ( 4725 PWs) bands (ev): -26.6334 -26.6334 -13.3986 -13.3986 -13.2028 -13.2028 -12.2027 -12.2027 -11.2549 -11.2549 -11.1613 -11.1613 -10.6962 -10.6962 -9.3324 -9.3324 -8.2857 -8.2857 -8.1806 -8.1806 -2.2523 -2.2523 -1.8569 -1.8569 0.4322 0.4322 0.5966 0.5966 1.3151 1.3151 1.6926 1.6926 2.1355 2.1355 2.2528 2.2528 2.6033 2.6033 4.0800 4.0800 4.0997 4.0997 4.1297 4.1297 4.1636 4.1636 4.4342 4.4342 4.4660 4.4660 4.7303 4.7303 4.7585 4.7585 5.0509 5.0509 10.8254 10.8254 11.0049 11.0049 12.5555 12.5555 12.6760 12.6760 13.2477 13.2477 13.9326 13.9326 k = 0.3000 0.5196-0.0000 ( 4717 PWs) bands (ev): -26.6335 -26.6335 -13.4315 -13.4315 -13.1675 -13.1675 -12.2011 -12.2011 -11.2726 -11.2726 -11.1457 -11.1457 -10.6955 -10.6955 -9.3322 -9.3322 -8.2851 -8.2851 -8.1805 -8.1805 -2.3200 -2.3200 -1.7897 -1.7897 0.4096 0.4096 0.6193 0.6193 1.3108 1.3108 1.6658 1.6658 2.1340 2.1340 2.2731 2.2731 2.6217 2.6217 4.0801 4.0801 4.0903 4.0903 4.1173 4.1173 4.1704 4.1704 4.4262 4.4262 4.4656 4.4656 4.7369 4.7369 4.7679 4.7679 5.0497 5.0497 10.7859 10.7859 11.0344 11.0344 12.5636 12.5636 12.6839 12.6839 13.2493 13.2493 13.9169 13.9169 k = 0.2917 0.5052-0.0000 ( 4717 PWs) bands (ev): -26.6335 -26.6335 -13.4648 -13.4648 -13.1311 -13.1311 -12.1990 -12.1990 -11.2911 -11.2911 -11.1300 -11.1300 -10.6947 -10.6947 -9.3319 -9.3319 -8.2843 -8.2843 -8.1804 -8.1804 -2.3886 -2.3886 -1.7221 -1.7221 0.3859 0.3859 0.6430 0.6430 1.3055 1.3055 1.6342 1.6342 2.1361 2.1361 2.2917 2.2917 2.6456 2.6456 4.0786 4.0786 4.0833 4.0833 4.1019 4.1019 4.1758 4.1758 4.4182 4.4182 4.4644 4.4644 4.7463 4.7463 4.7776 4.7776 5.0482 5.0482 10.7423 10.7423 11.0644 11.0644 12.5734 12.5734 12.6950 12.6950 13.2512 13.2512 13.8957 13.8957 k = 0.2833 0.4907-0.0000 ( 4717 PWs) bands (ev): -26.6335 -26.6335 -13.4983 -13.4983 -13.0937 -13.0937 -12.1964 -12.1964 -11.3104 -11.3104 -11.1143 -11.1143 -10.6940 -10.6940 -9.3315 -9.3315 -8.2833 -8.2833 -8.1803 -8.1803 -2.4578 -2.4578 -1.6544 -1.6544 0.3617 0.3617 0.6670 0.6670 1.2992 1.2992 1.5994 1.5994 2.1401 2.1401 2.3091 2.3091 2.6747 2.6747 4.0679 4.0679 4.0823 4.0823 4.0881 4.0881 4.1794 4.1794 4.4105 4.4105 4.4630 4.4630 4.7579 4.7579 4.7874 4.7874 5.0464 5.0464 10.6948 10.6948 11.0950 11.0950 12.5847 12.5847 12.7097 12.7097 13.2533 13.2533 13.8697 13.8697 k = 0.2750 0.4763-0.0000 ( 4713 PWs) bands (ev): -26.6335 -26.6335 -13.5318 -13.5318 -13.0552 -13.0552 -12.1932 -12.1932 -11.3302 -11.3302 -11.0985 -11.0985 -10.6934 -10.6934 -9.3309 -9.3309 -8.2821 -8.2821 -8.1802 -8.1802 -2.5277 -2.5277 -1.5867 -1.5867 0.3374 0.3374 0.6907 0.6907 1.2920 1.2920 1.5626 1.5626 2.1445 2.1445 2.3259 2.3259 2.7084 2.7084 4.0481 4.0481 4.0774 4.0774 4.0867 4.0867 4.1809 4.1809 4.4036 4.4036 4.4619 4.4619 4.7708 4.7708 4.7968 4.7968 5.0443 5.0443 10.6432 10.6432 11.1261 11.1261 12.5972 12.5972 12.7281 12.7281 13.2557 13.2557 13.8396 13.8396 k = 0.2667 0.4619-0.0000 ( 4719 PWs) bands (ev): -26.6335 -26.6335 -13.5654 -13.5654 -13.0158 -13.0158 -12.1895 -12.1895 -11.3505 -11.3505 -11.0828 -11.0828 -10.6930 -10.6930 -9.3301 -9.3301 -8.2806 -8.2806 -8.1800 -8.1800 -2.5980 -2.5980 -1.5195 -1.5195 0.3131 0.3131 0.7139 0.7139 1.2841 1.2841 1.5247 1.5247 2.1483 2.1483 2.3428 2.3428 2.7461 2.7461 4.0229 4.0229 4.0736 4.0736 4.0898 4.0898 4.1797 4.1797 4.3981 4.3981 4.4614 4.4614 4.7846 4.7846 4.8057 4.8057 5.0421 5.0421 10.5876 10.5876 11.1574 11.1574 12.6109 12.6109 12.7503 12.7503 13.2582 13.2582 13.8061 13.8061 k = 0.2583 0.4474-0.0000 ( 4725 PWs) bands (ev): -26.6335 -26.6335 -13.5989 -13.5989 -12.9756 -12.9756 -12.1852 -12.1852 -11.3713 -11.3713 -11.0673 -11.0673 -10.6929 -10.6929 -9.3291 -9.3291 -8.2789 -8.2789 -8.1797 -8.1797 -2.6686 -2.6686 -1.4529 -1.4529 0.2892 0.2892 0.7361 0.7361 1.2754 1.2754 1.4864 1.4864 2.1504 2.1504 2.3606 2.3606 2.7873 2.7873 3.9952 3.9952 4.0721 4.0721 4.0943 4.0943 4.1754 4.1754 4.3943 4.3943 4.4616 4.4616 4.7985 4.7985 4.8139 4.8139 5.0396 5.0396 10.5282 10.5282 11.1890 11.1890 12.6260 12.6260 12.7760 12.7760 13.2608 13.2608 13.7697 13.7697 k = 0.2500 0.4330-0.0000 ( 4733 PWs) bands (ev): -26.6335 -26.6335 -13.6322 -13.6322 -12.9346 -12.9346 -12.1803 -12.1803 -11.3924 -11.3924 -11.0520 -11.0520 -10.6932 -10.6932 -9.3279 -9.3279 -8.2769 -8.2769 -8.1794 -8.1794 -2.7394 -2.7394 -1.3872 -1.3872 0.2657 0.2657 0.7570 0.7570 1.2660 1.2660 1.4484 1.4484 2.1501 2.1501 2.3799 2.3799 2.8313 2.8313 3.9663 3.9663 4.0724 4.0724 4.0999 4.0999 4.1677 4.1677 4.3928 4.3928 4.4625 4.4625 4.8119 4.8119 4.8215 4.8215 5.0371 5.0371 10.4650 10.4650 11.2207 11.2207 12.6427 12.6427 12.8048 12.8048 13.2633 13.2633 13.7310 13.7310 k = 0.2417 0.4186-0.0000 ( 4739 PWs) bands (ev): -26.6336 -26.6336 -13.6652 -13.6652 -12.8929 -12.8929 -12.1749 -12.1749 -11.4138 -11.4138 -11.0369 -11.0369 -10.6940 -10.6940 -9.3265 -9.3265 -8.2747 -8.2747 -8.1790 -8.1790 -2.8103 -2.8103 -1.3226 -1.3226 0.2429 0.2429 0.7764 0.7764 1.2559 1.2559 1.4112 1.4112 2.1470 2.1470 2.4012 2.4012 2.8779 2.8779 3.9370 3.9370 4.0745 4.0745 4.1066 4.1066 4.1567 4.1567 4.3937 4.3937 4.4641 4.4641 4.8224 4.8224 4.8304 4.8304 5.0346 5.0346 10.3982 10.3982 11.2525 11.2525 12.6612 12.6612 12.8362 12.8362 13.2658 13.2658 13.6903 13.6903 k = 0.2333 0.4041-0.0000 ( 4731 PWs) bands (ev): -26.6336 -26.6336 -13.6978 -13.6978 -12.8505 -12.8505 -12.1689 -12.1689 -11.4353 -11.4353 -11.0222 -11.0222 -10.6952 -10.6952 -9.3248 -9.3248 -8.2721 -8.2721 -8.1785 -8.1785 -2.8812 -2.8812 -1.2592 -1.2592 0.2209 0.2209 0.7938 0.7938 1.2449 1.2449 1.3753 1.3753 2.1406 2.1406 2.4251 2.4251 2.9267 2.9267 3.9083 3.9083 4.0783 4.0783 4.1136 4.1136 4.1431 4.1431 4.3969 4.3969 4.4664 4.4664 4.8278 4.8278 4.8423 4.8423 5.0320 5.0320 10.3280 10.3280 11.2843 11.2843 12.6817 12.6817 12.8696 12.8696 13.2682 13.2682 13.6480 13.6480 k = 0.2250 0.3897-0.0000 ( 4737 PWs) bands (ev): -26.6336 -26.6336 -13.7299 -13.7299 -12.8077 -12.8077 -12.1623 -12.1623 -11.4569 -11.4569 -11.0079 -11.0079 -10.6970 -10.6970 -9.3228 -9.3228 -8.2694 -8.2694 -8.1780 -8.1780 -2.9518 -2.9518 -1.1974 -1.1974 0.1999 0.1999 0.8090 0.8090 1.2327 1.2327 1.3415 1.3415 2.1304 2.1304 2.4517 2.4517 2.9775 2.9775 3.8806 3.8806 4.0837 4.0837 4.1142 4.1142 4.1338 4.1338 4.4023 4.4023 4.4692 4.4692 4.8305 4.8305 4.8547 4.8547 5.0295 5.0295 10.2546 10.2546 11.3160 11.3160 12.7043 12.7043 12.9044 12.9044 13.2704 13.2704 13.6044 13.6044 k = 0.2167 0.3753-0.0000 ( 4733 PWs) bands (ev): -26.6336 -26.6336 -13.7615 -13.7615 -12.7644 -12.7644 -12.1553 -12.1553 -11.4785 -11.4785 -10.9940 -10.9940 -10.6995 -10.6995 -9.3206 -9.3206 -8.2663 -8.2663 -8.1773 -8.1773 -3.0220 -3.0220 -1.1373 -1.1373 0.1801 0.1801 0.8218 0.8218 1.2185 1.2185 1.3108 1.3108 2.1164 2.1164 2.4814 2.4814 3.0302 3.0302 3.8546 3.8546 4.0904 4.0904 4.0978 4.0978 4.1399 4.1399 4.4094 4.4094 4.4726 4.4726 4.8311 4.8311 4.8665 4.8665 5.0269 5.0269 10.1784 10.1784 11.3475 11.3475 12.7291 12.7291 12.9401 12.9401 13.2723 13.2723 13.5600 13.5600 k = 0.2083 0.3608-0.0000 ( 4733 PWs) bands (ev): -26.6337 -26.6337 -13.7925 -13.7925 -12.7208 -12.7208 -12.1477 -12.1477 -11.5000 -11.5000 -10.9807 -10.9807 -10.7026 -10.7026 -9.3181 -9.3181 -8.2630 -8.2630 -8.1765 -8.1765 -3.0918 -3.0918 -1.0790 -1.0790 0.1616 0.1616 0.8321 0.8321 1.2012 1.2012 1.2845 1.2845 2.0982 2.0982 2.5145 2.5145 3.0844 3.0844 3.8305 3.8305 4.0748 4.0748 4.0988 4.0988 4.1509 4.1509 4.4181 4.4181 4.4765 4.4765 4.8299 4.8299 4.8775 4.8775 5.0244 5.0244 10.0995 10.0995 11.3788 11.3788 12.7558 12.7558 12.9761 12.9761 13.2738 13.2738 13.5149 13.5149 k = 0.2000 0.3464-0.0000 ( 4733 PWs) bands (ev): -26.6337 -26.6337 -13.8228 -13.8228 -12.6770 -12.6770 -12.1396 -12.1396 -11.5213 -11.5213 -10.9679 -10.9679 -10.7064 -10.7064 -9.3154 -9.3154 -8.2595 -8.2595 -8.1757 -8.1757 -3.1609 -3.1609 -1.0227 -1.0227 0.1446 0.1446 0.8396 0.8396 1.1801 1.1801 1.2636 1.2636 2.0760 2.0760 2.5509 2.5509 3.1401 3.1401 3.8089 3.8089 4.0492 4.0492 4.1083 4.1083 4.1636 4.1636 4.4278 4.4278 4.4808 4.4808 4.8270 4.8270 4.8876 4.8876 5.0218 5.0218 10.0183 10.0183 11.4097 11.4097 12.7844 12.7844 13.0119 13.0119 13.2750 13.2750 13.4698 13.4698 k = 0.1917 0.3320-0.0000 ( 4733 PWs) bands (ev): -26.6337 -26.6337 -13.8523 -13.8523 -12.6330 -12.6330 -12.1311 -12.1311 -11.5424 -11.5424 -10.9558 -10.9558 -10.7108 -10.7108 -9.3123 -9.3123 -8.2557 -8.2557 -8.1747 -8.1747 -3.2291 -3.2291 -0.9686 -0.9686 0.1290 0.1290 0.8443 0.8443 1.1556 1.1556 1.2480 1.2480 2.0497 2.0497 2.5907 2.5907 3.1971 3.1971 3.7897 3.7897 4.0216 4.0216 4.1190 4.1190 4.1772 4.1772 4.4383 4.4383 4.4856 4.4856 4.8223 4.8223 4.8967 4.8967 5.0189 5.0189 9.9352 9.9352 11.4402 11.4402 12.8145 12.8145 13.0471 13.0471 13.2755 13.2755 13.4253 13.4253 k = 0.1833 0.3175-0.0000 ( 4727 PWs) bands (ev): -26.6338 -26.6338 -13.8810 -13.8810 -12.5891 -12.5891 -12.1222 -12.1222 -11.5631 -11.5631 -10.9444 -10.9444 -10.7159 -10.7159 -9.3091 -9.3091 -8.2518 -8.2518 -8.1737 -8.1737 -3.2964 -3.2964 -0.9167 -0.9167 0.1151 0.1151 0.8464 0.8464 1.1290 1.1290 1.2364 1.2364 2.0195 2.0195 2.6340 2.6340 3.2552 3.2552 3.7732 3.7732 3.9926 3.9926 4.1308 4.1308 4.1916 4.1916 4.4492 4.4492 4.4910 4.4910 4.8161 4.8161 4.9047 4.9047 5.0158 5.0158 9.8504 9.8504 11.4702 11.4702 12.8454 12.8454 13.0810 13.0810 13.2751 13.2751 13.3822 13.3822 k = 0.1750 0.3031-0.0000 ( 4723 PWs) bands (ev): -26.6338 -26.6338 -13.9088 -13.9088 -12.5454 -12.5454 -12.1128 -12.1128 -11.5834 -11.5834 -10.9337 -10.9337 -10.7216 -10.7216 -9.3056 -9.3056 -8.2476 -8.2476 -8.1726 -8.1726 -3.3625 -3.3625 -0.8672 -0.8672 0.1028 0.1028 0.8459 0.8459 1.1018 1.1018 1.2274 1.2274 1.9857 1.9857 2.6804 2.6804 3.3142 3.3142 3.7593 3.7593 3.9626 3.9626 4.1434 4.1434 4.2065 4.2065 4.4602 4.4602 4.4970 4.4970 4.8085 4.8085 4.9115 4.9115 5.0123 5.0123 9.7644 9.7644 11.4996 11.4996 12.8766 12.8766 13.1131 13.1131 13.2729 13.2729 13.3424 13.3424 k = 0.1667 0.2887-0.0000 ( 4727 PWs) bands (ev): -26.6339 -26.6339 -13.9357 -13.9357 -12.5019 -12.5019 -12.1032 -12.1032 -11.6033 -11.6033 -10.9238 -10.9238 -10.7279 -10.7279 -9.3019 -9.3019 -8.2433 -8.2433 -8.1714 -8.1714 -3.4272 -3.4272 -0.8201 -0.8201 0.0924 0.0924 0.8430 0.8430 1.0747 1.0747 1.2204 1.2204 1.9486 1.9486 2.7299 2.7299 3.3737 3.3737 3.7480 3.7480 3.9320 3.9320 4.1567 4.1567 4.2218 4.2218 4.4710 4.4710 4.5038 4.5038 4.7998 4.7998 4.9172 4.9172 5.0082 5.0082 9.6774 9.6774 11.5284 11.5284 12.9066 12.9066 13.1427 13.1427 13.2655 13.2655 13.3106 13.3106 k = 0.1583 0.2742-0.0000 ( 4735 PWs) bands (ev): -26.6339 -26.6339 -13.9615 -13.9615 -12.4588 -12.4588 -12.0932 -12.0932 -11.6226 -11.6226 -10.9148 -10.9148 -10.7348 -10.7348 -9.2981 -9.2981 -8.2389 -8.2389 -8.1701 -8.1701 -3.4904 -3.4904 -0.7755 -0.7755 0.0837 0.0837 0.8380 0.8380 1.0483 1.0483 1.2147 1.2147 1.9086 1.9086 2.7823 2.7823 3.4333 3.4333 3.7391 3.7391 3.9015 3.9015 4.1706 4.1706 4.2372 4.2372 4.4813 4.4813 4.5112 4.5112 4.7900 4.7900 4.9217 4.9217 5.0035 5.0035 9.5899 9.5899 11.5565 11.5565 12.9337 12.9337 13.1683 13.1683 13.2487 13.2487 13.2941 13.2941 k = 0.1500 0.2598-0.0000 ( 4735 PWs) bands (ev): -26.6339 -26.6339 -13.9863 -13.9863 -12.4163 -12.4163 -12.0829 -12.0829 -11.6414 -11.6414 -10.9066 -10.9066 -10.7422 -10.7422 -9.2941 -9.2941 -8.2344 -8.2344 -8.1688 -8.1688 -3.5519 -3.5519 -0.7334 -0.7334 0.0769 0.0769 0.8311 0.8311 1.0229 1.0229 1.2101 1.2101 1.8661 1.8661 2.8372 2.8372 3.4922 3.4922 3.7325 3.7325 3.8719 3.8719 4.1849 4.1849 4.2525 4.2525 4.4910 4.4910 4.5195 4.5195 4.7796 4.7796 4.9251 4.9251 4.9981 4.9981 9.5022 9.5022 11.5837 11.5837 12.9548 12.9548 13.1851 13.1851 13.2341 13.2341 13.2882 13.2882 k = 0.1417 0.2454-0.0000 ( 4739 PWs) bands (ev): -26.6340 -26.6340 -14.0100 -14.0100 -12.3746 -12.3746 -12.0725 -12.0725 -11.6595 -11.6595 -10.8994 -10.8994 -10.7499 -10.7499 -9.2901 -9.2901 -8.2299 -8.2299 -8.1674 -8.1674 -3.6115 -3.6115 -0.6939 -0.6939 0.0718 0.0718 0.8227 0.8227 0.9987 0.9987 1.2064 1.2064 1.8217 1.8217 2.8943 2.8943 3.5489 3.5489 3.7279 3.7279 3.8447 3.8447 4.1993 4.1993 4.2674 4.2674 4.5001 4.5001 4.5281 4.5281 4.7688 4.7688 4.9272 4.9272 4.9919 4.9919 9.4148 9.4148 11.6101 11.6101 12.9658 12.9658 13.1870 13.1870 13.2391 13.2391 13.2856 13.2856 k = 0.1333 0.2309-0.0000 ( 4735 PWs) bands (ev): -26.6340 -26.6340 -14.0326 -14.0326 -12.3338 -12.3338 -12.0618 -12.0618 -11.6769 -11.6769 -10.8931 -10.8931 -10.7579 -10.7579 -9.2860 -9.2860 -8.2253 -8.2253 -8.1659 -8.1659 -3.6689 -3.6689 -0.6569 -0.6569 0.0686 0.0686 0.8130 0.8130 0.9759 0.9759 1.2033 1.2033 1.7757 1.7757 2.9533 2.9533 3.6003 3.6003 3.7251 3.7251 3.8230 3.8230 4.2136 4.2136 4.2818 4.2818 4.5087 4.5087 4.5369 4.5369 4.7580 4.7580 4.9282 4.9282 4.9848 4.9848 9.3281 9.3281 11.6356 11.6356 12.9635 12.9635 13.1879 13.1879 13.2545 13.2545 13.2842 13.2842 k = 0.1250 0.2165-0.0000 ( 4751 PWs) bands (ev): -26.6340 -26.6340 -14.0540 -14.0540 -12.2940 -12.2940 -12.0511 -12.0511 -11.6935 -11.6935 -10.8877 -10.8877 -10.7661 -10.7661 -9.2818 -9.2818 -8.2207 -8.2207 -8.1644 -8.1644 -3.7241 -3.7241 -0.6225 -0.6225 0.0672 0.0672 0.8025 0.8025 0.9545 0.9545 1.2008 1.2008 1.7288 1.7288 3.0138 3.0138 3.6389 3.6389 3.7239 3.7239 3.8143 3.8143 4.2277 4.2277 4.2951 4.2951 4.5172 4.5172 4.5455 4.5455 4.7475 4.7475 4.9280 4.9280 4.9770 4.9770 9.2425 9.2425 11.6600 11.6600 12.9486 12.9486 13.1971 13.1971 13.2696 13.2696 13.2842 13.2842 k = 0.1167 0.2021-0.0000 ( 4751 PWs) bands (ev): -26.6341 -26.6341 -14.0742 -14.0742 -12.2556 -12.2556 -12.0404 -12.0404 -11.7094 -11.7094 -10.8833 -10.8833 -10.7743 -10.7743 -9.2777 -9.2777 -8.2163 -8.2163 -8.1629 -8.1629 -3.7768 -3.7768 -0.5906 -0.5906 0.0674 0.0674 0.7914 0.7914 0.9344 0.9344 1.1987 1.1987 1.6814 1.6814 3.0754 3.0754 3.6542 3.6542 3.7239 3.7239 3.8290 3.8290 4.2413 4.2413 4.3071 4.3071 4.5255 4.5255 4.5536 4.5536 4.7378 4.7378 4.9267 4.9267 4.9684 4.9684 9.1586 9.1586 11.6834 11.6834 12.9252 12.9252 13.2126 13.2126 13.2773 13.2773 13.2902 13.2902 k = 0.1083 0.1876-0.0000 ( 4751 PWs) bands (ev): -26.6341 -26.6341 -14.0931 -14.0931 -12.2186 -12.2186 -12.0296 -12.0296 -11.7245 -11.7245 -10.8800 -10.8800 -10.7824 -10.7824 -9.2737 -9.2737 -8.2119 -8.2119 -8.1613 -8.1613 -3.8268 -3.8268 -0.5613 -0.5613 0.0692 0.0692 0.7801 0.7801 0.9158 0.9158 1.1968 1.1968 1.6341 1.6341 3.1377 3.1377 3.6468 3.6468 3.7251 3.7251 3.8664 3.8664 4.2542 4.2542 4.3173 4.3173 4.5335 4.5335 4.5612 4.5612 4.7293 4.7293 4.9242 4.9242 4.9589 4.9589 9.0768 9.0768 11.7055 11.7055 12.8976 12.8976 13.2302 13.2302 13.2782 13.2782 13.3014 13.3014 k = 0.1000 0.1732-0.0000 ( 4751 PWs) bands (ev): -26.6342 -26.6342 -14.1108 -14.1108 -12.1834 -12.1834 -12.0188 -12.0188 -11.7387 -11.7387 -10.8776 -10.8776 -10.7902 -10.7902 -9.2697 -9.2697 -8.2077 -8.2077 -8.1598 -8.1598 -3.8739 -3.8739 -0.5345 -0.5345 0.0725 0.0725 0.7687 0.7687 0.8986 0.8986 1.1952 1.1952 1.5875 1.5875 3.2002 3.2002 3.6280 3.6280 3.7272 3.7272 3.9150 3.9150 4.2662 4.2662 4.3250 4.3250 4.5411 4.5411 4.5688 4.5688 4.7223 4.7223 4.9207 4.9207 4.9488 4.9488 8.9976 8.9976 11.7265 11.7265 12.8683 12.8683 13.2467 13.2467 13.2787 13.2787 13.3119 13.3119 k = 0.0917 0.1588-0.0000 ( 4739 PWs) bands (ev): -26.6342 -26.6342 -14.1271 -14.1271 -12.1501 -12.1501 -12.0082 -12.0082 -11.7520 -11.7520 -10.8763 -10.8763 -10.7976 -10.7976 -9.2659 -9.2659 -8.2036 -8.2036 -8.1583 -8.1583 -3.9181 -3.9181 -0.5101 -0.5101 0.0771 0.0771 0.7577 0.7577 0.8828 0.8828 1.1935 1.1935 1.5423 1.5423 3.2624 3.2624 3.6052 3.6052 3.7299 3.7299 3.9674 3.9674 4.2771 4.2771 4.3298 4.3298 4.5478 4.5478 4.5770 4.5770 4.7171 4.7171 4.9161 4.9161 4.9381 4.9381 8.9216 8.9216 11.7461 11.7461 12.8392 12.8392 13.2586 13.2586 13.2816 13.2816 13.3206 13.3206 k = 0.0833 0.1443-0.0000 ( 4745 PWs) bands (ev): -26.6342 -26.6342 -14.1421 -14.1421 -12.1191 -12.1191 -11.9976 -11.9976 -11.7643 -11.7643 -10.8760 -10.8760 -10.8044 -10.8044 -9.2623 -9.2623 -8.1999 -8.1999 -8.1568 -8.1568 -3.9590 -3.9590 -0.4881 -0.4881 0.0828 0.0828 0.7472 0.7472 0.8683 0.8683 1.1916 1.1916 1.4990 1.4990 3.3237 3.3237 3.5817 3.5817 3.7330 3.7330 4.0201 4.0201 4.2866 4.2866 4.3312 4.3312 4.5539 4.5539 4.5862 4.5862 4.7135 4.7135 4.9106 4.9106 4.9270 4.9270 8.8494 8.8494 11.7643 11.7643 12.8112 12.8112 13.2637 13.2637 13.2886 13.2886 13.3277 13.3277 k = 0.0750 0.1299-0.0000 ( 4739 PWs) bands (ev): -26.6342 -26.6342 -14.1558 -14.1558 -12.0906 -12.0906 -11.9872 -11.9872 -11.7758 -11.7758 -10.8766 -10.8766 -10.8105 -10.8105 -9.2589 -9.2589 -8.1964 -8.1964 -8.1553 -8.1553 -3.9966 -3.9966 -0.4684 -0.4684 0.0893 0.0893 0.7375 0.7375 0.8552 0.8552 1.1892 1.1892 1.4584 1.4584 3.3832 3.3832 3.5595 3.5595 3.7364 3.7364 4.0713 4.0713 4.2940 4.2940 4.3293 4.3293 4.5598 4.5598 4.5967 4.5967 4.7111 4.7111 4.9041 4.9041 4.9157 4.9157 8.7815 8.7815 11.7811 11.7811 12.7848 12.7848 13.2646 13.2646 13.2969 13.2969 13.3333 13.3333 k = 0.0667 0.1155-0.0000 ( 4739 PWs) bands (ev): -26.6343 -26.6343 -14.1680 -14.1680 -12.0649 -12.0649 -11.9768 -11.9768 -11.7862 -11.7862 -10.8780 -10.8780 -10.8158 -10.8158 -9.2558 -9.2558 -8.1931 -8.1931 -8.1539 -8.1539 -4.0306 -4.0306 -0.4511 -0.4511 0.0965 0.0965 0.7286 0.7286 0.8435 0.8435 1.1861 1.1861 1.4211 1.4211 3.4385 3.4385 3.5411 3.5411 3.7399 3.7399 4.1196 4.1196 4.2977 4.2977 4.3259 4.3259 4.5661 4.5661 4.6081 4.6081 4.7095 4.7095 4.8967 4.8967 4.9046 4.9046 8.7186 8.7186 11.7963 11.7963 12.7605 12.7605 13.2640 13.2640 13.3039 13.3039 13.3377 13.3377 k = 0.0583 0.1010-0.0000 ( 4731 PWs) bands (ev): -26.6343 -26.6343 -14.1789 -14.1789 -12.0423 -12.0423 -11.9665 -11.9665 -11.7957 -11.7957 -10.8801 -10.8801 -10.8203 -10.8203 -9.2530 -9.2530 -8.1903 -8.1903 -8.1526 -8.1526 -4.0610 -4.0610 -0.4360 -0.4360 0.1040 0.1040 0.7208 0.7208 0.8332 0.8332 1.1818 1.1818 1.3881 1.3881 3.4784 3.4784 3.5378 3.5378 3.7433 3.7433 4.1639 4.1639 4.2942 4.2942 4.3249 4.3249 4.5735 4.5735 4.6201 4.6201 4.7081 4.7081 4.8881 4.8881 4.8943 4.8943 8.6612 8.6612 11.8099 11.8099 12.7386 12.7386 13.2631 13.2631 13.3091 13.3091 13.3408 13.3408 k = 0.0500 0.0866-0.0000 ( 4739 PWs) bands (ev): -26.6343 -26.6343 -14.1883 -14.1883 -12.0231 -12.0231 -11.9564 -11.9564 -11.8041 -11.8041 -10.8827 -10.8827 -10.8240 -10.8240 -9.2505 -9.2505 -8.1878 -8.1878 -8.1514 -8.1514 -4.0876 -4.0876 -0.4230 -0.4230 0.1114 0.1114 0.7140 0.7140 0.8242 0.8242 1.1762 1.1762 1.3601 1.3601 3.4810 3.4810 3.5711 3.5711 3.7466 3.7466 4.2021 4.2021 4.2842 4.2842 4.3276 4.3276 4.5820 4.5820 4.6322 4.6322 4.7062 4.7062 4.8786 4.8786 4.8852 4.8852 8.6099 8.6099 11.8218 11.8218 12.7193 12.7193 13.2619 13.2619 13.3126 13.3126 13.3430 13.3430 k = 0.0417 0.0722-0.0000 ( 4739 PWs) bands (ev): -26.6343 -26.6343 -14.1964 -14.1964 -12.0075 -12.0075 -11.9466 -11.9466 -11.8114 -11.8114 -10.8854 -10.8854 -10.8270 -10.8270 -9.2483 -9.2483 -8.1856 -8.1856 -8.1503 -8.1503 -4.1104 -4.1104 -0.4121 -0.4121 0.1185 0.1185 0.7084 0.7084 0.8166 0.8166 1.1692 1.1692 1.3374 1.3374 3.4695 3.4695 3.6171 3.6171 3.7495 3.7495 4.2284 4.2284 4.2763 4.2763 4.3318 4.3318 4.5915 4.5915 4.6440 4.6440 4.7035 4.7035 4.8689 4.8689 4.8770 4.8770 8.5654 8.5654 11.8320 11.8320 12.7028 12.7028 13.2609 13.2609 13.3149 13.3149 13.3444 13.3444 k = 0.0333 0.0577-0.0000 ( 4739 PWs) bands (ev): -26.6343 -26.6343 -14.2029 -14.2029 -11.9952 -11.9952 -11.9374 -11.9374 -11.8175 -11.8175 -10.8880 -10.8880 -10.8293 -10.8293 -9.2465 -9.2465 -8.1838 -8.1838 -8.1494 -8.1494 -4.1291 -4.1291 -0.4033 -0.4033 0.1250 0.1250 0.7039 0.7039 0.8103 0.8103 1.1612 1.1612 1.3202 1.3202 3.4577 3.4577 3.6611 3.6611 3.7521 3.7521 4.2292 4.2292 4.2856 4.2856 4.3366 4.3366 4.6019 4.6019 4.6549 4.6549 4.6996 4.6996 4.8600 4.8600 4.8697 4.8697 8.5281 8.5281 11.8404 11.8404 12.6891 12.6891 13.2599 13.2599 13.3162 13.3162 13.3452 13.3452 k = 0.0250 0.0433-0.0000 ( 4739 PWs) bands (ev): -26.6344 -26.6344 -14.2081 -14.2081 -11.9862 -11.9862 -11.9295 -11.9295 -11.8225 -11.8225 -10.8902 -10.8902 -10.8310 -10.8310 -9.2450 -9.2450 -8.1825 -8.1825 -8.1486 -8.1486 -4.1438 -4.1438 -0.3965 -0.3965 0.1304 0.1304 0.7005 0.7005 0.8055 0.8055 1.1533 1.1533 1.3080 1.3080 3.4477 3.4477 3.6996 3.6996 3.7543 3.7543 4.2151 4.2151 4.3025 4.3025 4.3421 4.3421 4.6127 4.6127 4.6643 4.6643 4.6946 4.6946 4.8524 4.8524 4.8635 4.8635 8.4985 8.4985 11.8470 11.8470 12.6784 12.6784 13.2591 13.2591 13.3169 13.3169 13.3456 13.3456 k = 0.0167 0.0289-0.0000 ( 4739 PWs) bands (ev): -26.6344 -26.6344 -14.2117 -14.2117 -11.9800 -11.9800 -11.9233 -11.9233 -11.8261 -11.8261 -10.8920 -10.8920 -10.8322 -10.8322 -9.2440 -9.2440 -8.1815 -8.1815 -8.1481 -8.1481 -4.1543 -4.1543 -0.3917 -0.3917 0.1344 0.1344 0.6981 0.6981 0.8020 0.8020 1.1464 1.1464 1.3002 1.3002 3.4404 3.4404 3.7296 3.7296 3.7561 3.7561 4.2002 4.2002 4.3147 4.3147 4.3482 4.3482 4.6229 4.6229 4.6709 4.6709 4.6894 4.6894 4.8465 4.8465 4.8587 4.8587 8.4771 8.4771 11.8517 11.8517 12.6707 12.6707 13.2586 13.2586 13.3172 13.3172 13.3458 13.3458 k = 0.0083 0.0144-0.0000 ( 4735 PWs) bands (ev): -26.6344 -26.6344 -14.2139 -14.2139 -11.9763 -11.9763 -11.9194 -11.9194 -11.8283 -11.8283 -10.8931 -10.8931 -10.8330 -10.8330 -9.2434 -9.2434 -8.1809 -8.1809 -8.1478 -8.1478 -4.1606 -4.1606 -0.3888 -0.3888 0.1370 0.1370 0.6967 0.6967 0.7999 0.7999 1.1418 1.1418 1.2958 1.2958 3.4359 3.4359 3.7481 3.7481 3.7582 3.7582 4.1895 4.1895 4.3209 4.3209 4.3536 4.3536 4.6312 4.6312 4.6732 4.6732 4.6862 4.6862 4.8427 4.8427 4.8557 4.8557 8.4642 8.4642 11.8546 11.8546 12.6661 12.6661 13.2582 13.2582 13.3173 13.3173 13.3458 13.3458 k = 0.0000 0.0000 0.0000 ( 4739 PWs) bands (ev): -26.6344 -26.6344 -14.2146 -14.2146 -11.9752 -11.9752 -11.9181 -11.9181 -11.8291 -11.8291 -10.8934 -10.8934 -10.8332 -10.8332 -9.2432 -9.2432 -8.1807 -8.1807 -8.1477 -8.1477 -4.1627 -4.1627 -0.3879 -0.3879 0.1379 0.1379 0.6962 0.6962 0.7992 0.7992 1.1402 1.1402 1.2944 1.2944 3.4344 3.4344 3.7529 3.7529 3.7606 3.7606 4.1856 4.1856 4.3227 4.3227 4.3557 4.3557 4.6347 4.6347 4.6728 4.6728 4.6858 4.6858 4.8414 4.8414 4.8547 4.8547 8.4598 8.4598 11.8555 11.8555 12.6646 12.6646 13.2581 13.2581 13.3174 13.3174 13.3458 13.3458 k = 0.0000 0.0000 0.0000 ( 4739 PWs) bands (ev): -26.6344 -26.6344 -14.2146 -14.2146 -11.9752 -11.9752 -11.9181 -11.9181 -11.8291 -11.8291 -10.8934 -10.8934 -10.8332 -10.8332 -9.2432 -9.2432 -8.1807 -8.1807 -8.1477 -8.1477 -4.1627 -4.1627 -0.3879 -0.3879 0.1379 0.1379 0.6962 0.6962 0.7992 0.7992 1.1402 1.1402 1.2944 1.2944 3.4344 3.4344 3.7529 3.7529 3.7606 3.7606 4.1856 4.1856 4.3227 4.3227 4.3557 4.3557 4.6347 4.6347 4.6728 4.6728 4.6858 4.6858 4.8414 4.8414 4.8547 4.8547 8.4598 8.4598 11.8555 11.8555 12.6646 12.6646 13.2581 13.2581 13.3174 13.3174 13.3458 13.3458 k = 0.0000 0.0000 0.0164 ( 4727 PWs) bands (ev): -26.6344 -26.6344 -14.2147 -14.2147 -11.9753 -11.9753 -11.9181 -11.9181 -11.8288 -11.8288 -10.8931 -10.8931 -10.8330 -10.8330 -9.2436 -9.2436 -8.1810 -8.1810 -8.1480 -8.1480 -4.1626 -4.1626 -0.3867 -0.3867 0.1376 0.1376 0.6969 0.6969 0.8000 0.8000 1.1399 1.1399 1.2940 1.2940 3.4350 3.4350 3.7535 3.7535 3.7612 3.7612 4.1851 4.1851 4.3222 4.3222 4.3552 4.3552 4.6322 4.6322 4.6734 4.6734 4.6864 4.6864 4.8406 4.8406 4.8538 4.8538 8.4625 8.4625 11.8565 11.8565 12.6624 12.6624 13.2581 13.2581 13.3170 13.3170 13.3454 13.3454 k = 0.0000 0.0000 0.0328 ( 4727 PWs) bands (ev): -26.6344 -26.6344 -14.2149 -14.2149 -11.9756 -11.9756 -11.9183 -11.9183 -11.8281 -11.8281 -10.8921 -10.8921 -10.8323 -10.8323 -9.2448 -9.2448 -8.1819 -8.1819 -8.1491 -8.1491 -4.1624 -4.1624 -0.3833 -0.3833 0.1369 0.1369 0.6989 0.6989 0.8023 0.8023 1.1388 1.1388 1.2928 1.2928 3.4368 3.4368 3.7551 3.7551 3.7628 3.7628 4.1835 4.1835 4.3206 4.3206 4.3536 4.3536 4.6250 4.6250 4.6752 4.6752 4.6882 4.6882 4.8381 4.8381 4.8511 4.8511 8.4703 8.4703 11.8593 11.8593 12.6560 12.6560 13.2580 13.2580 13.3161 13.3161 13.3441 13.3441 k = 0.0000 0.0000 0.0491 ( 4739 PWs) bands (ev): -26.6344 -26.6344 -14.2152 -14.2152 -11.9761 -11.9761 -11.9187 -11.9187 -11.8269 -11.8269 -10.8903 -10.8903 -10.8311 -10.8311 -9.2468 -9.2468 -8.1833 -8.1833 -8.1509 -8.1509 -4.1619 -4.1619 -0.3777 -0.3777 0.1357 0.1357 0.7021 0.7021 0.8061 0.8061 1.1370 1.1370 1.2909 1.2909 3.4398 3.4398 3.7578 3.7578 3.7655 3.7655 4.1810 4.1810 4.3179 4.3179 4.3510 4.3510 4.6130 4.6130 4.6782 4.6782 4.6912 4.6912 4.8341 4.8341 4.8466 4.8466 8.4833 8.4833 11.8641 11.8641 12.6456 12.6456 13.2577 13.2577 13.3146 13.3146 13.3419 13.3419 k = 0.0000 0.0000 0.0655 ( 4750 PWs) bands (ev): -26.6344 -26.6344 -14.2157 -14.2157 -11.9769 -11.9769 -11.9192 -11.9192 -11.8253 -11.8253 -10.8879 -10.8879 -10.8295 -10.8295 -9.2496 -9.2496 -8.1853 -8.1853 -8.1533 -8.1533 -4.1613 -4.1613 -0.3699 -0.3699 0.1341 0.1341 0.7066 0.7066 0.8115 0.8115 1.1345 1.1345 1.2882 1.2882 3.4440 3.4440 3.7616 3.7616 3.7692 3.7692 4.1773 4.1773 4.3142 4.3142 4.3475 4.3475 4.5965 4.5965 4.6822 4.6822 4.6952 4.6952 4.8285 4.8285 4.8404 4.8404 8.5012 8.5012 11.8706 11.8706 12.6313 12.6313 13.2570 13.2570 13.3124 13.3124 13.3387 13.3387 k = 0.0000 0.0000 0.0819 ( 4762 PWs) bands (ev): -26.6344 -26.6344 -14.2162 -14.2162 -11.9778 -11.9778 -11.9198 -11.9198 -11.8233 -11.8233 -10.8849 -10.8849 -10.8275 -10.8275 -9.2532 -9.2532 -8.1879 -8.1879 -8.1565 -8.1565 -4.1606 -4.1606 -0.3599 -0.3599 0.1320 0.1320 0.7124 0.7124 0.8183 0.8183 1.1314 1.1314 1.2848 1.2848 3.4494 3.4494 3.7663 3.7663 3.7739 3.7739 4.1727 4.1727 4.3096 4.3096 4.3430 4.3430 4.5758 4.5758 4.6871 4.6871 4.7002 4.7002 4.8214 4.8214 4.8327 4.8327 8.5239 8.5239 11.8789 11.8789 12.6135 12.6135 13.2560 13.2560 13.3096 13.3096 13.3346 13.3346 k = 0.0000 0.0000 0.0983 ( 4762 PWs) bands (ev): -26.6343 -26.6343 -14.2169 -14.2169 -11.9789 -11.9789 -11.9206 -11.9206 -11.8208 -11.8208 -10.8813 -10.8813 -10.8251 -10.8251 -9.2575 -9.2575 -8.1910 -8.1910 -8.1602 -8.1602 -4.1596 -4.1596 -0.3479 -0.3479 0.1295 0.1295 0.7194 0.7194 0.8264 0.8264 1.1276 1.1276 1.2808 1.2808 3.4559 3.4559 3.7721 3.7721 3.7796 3.7796 4.1669 4.1669 4.3041 4.3041 4.3377 4.3377 4.5513 4.5513 4.6928 4.6928 4.7061 4.7061 4.8131 4.8131 4.8234 4.8234 8.5509 8.5509 11.8888 11.8888 12.5925 12.5925 13.2542 13.2542 13.3062 13.3062 13.3294 13.3294 k = 0.0000 0.0000 0.1146 ( 4750 PWs) bands (ev): -26.6343 -26.6343 -14.2176 -14.2176 -11.9802 -11.9802 -11.9214 -11.9214 -11.8179 -11.8179 -10.8771 -10.8771 -10.8222 -10.8222 -9.2624 -9.2624 -8.1945 -8.1945 -8.1646 -8.1646 -4.1586 -4.1586 -0.3339 -0.3339 0.1266 0.1266 0.7275 0.7275 0.8359 0.8359 1.1233 1.1233 1.2762 1.2762 3.4636 3.4636 3.7787 3.7787 3.7861 3.7861 4.1600 4.1600 4.2977 4.2977 4.3317 4.3317 4.5232 4.5232 4.6991 4.6991 4.7126 4.7126 4.8037 4.8037 4.8129 4.8129 8.5820 8.5820 11.9004 11.9004 12.5688 12.5688 13.2517 13.2517 13.3022 13.3022 13.3233 13.3233 k = 0.0000 0.0000 0.1310 ( 4756 PWs) bands (ev): -26.6343 -26.6343 -14.2185 -14.2185 -11.9816 -11.9816 -11.9224 -11.9224 -11.8147 -11.8147 -10.8723 -10.8723 -10.8191 -10.8191 -9.2680 -9.2680 -8.1985 -8.1985 -8.1694 -8.1694 -4.1574 -4.1574 -0.3181 -0.3181 0.1233 0.1233 0.7366 0.7366 0.8466 0.8466 1.1185 1.1185 1.2710 1.2710 3.4723 3.4723 3.7862 3.7862 3.7935 3.7935 4.1520 4.1520 4.2906 4.2906 4.3249 4.3249 4.4920 4.4920 4.7056 4.7056 4.7194 4.7194 4.7936 4.7936 4.8015 4.8015 8.6168 8.6168 11.9133 11.9133 12.5427 12.5427 13.2484 13.2484 13.2976 13.2976 13.3162 13.3162 k = 0.0000 0.0000 0.1474 ( 4756 PWs) bands (ev): -26.6343 -26.6343 -14.2194 -14.2194 -11.9831 -11.9831 -11.9235 -11.9235 -11.8112 -11.8112 -10.8671 -10.8671 -10.8156 -10.8156 -9.2741 -9.2741 -8.2029 -8.2029 -8.1748 -8.1748 -4.1560 -4.1560 -0.3006 -0.3006 0.1196 0.1196 0.7468 0.7468 0.8584 0.8584 1.1132 1.1132 1.2653 1.2653 3.4821 3.4821 3.7945 3.7945 3.8017 3.8017 4.1427 4.1427 4.2829 4.2829 4.3175 4.3175 4.4583 4.4583 4.7117 4.7117 4.7259 4.7259 4.7833 4.7833 4.7897 4.7897 8.6548 8.6548 11.9276 11.9276 12.5146 12.5146 13.2442 13.2442 13.2924 13.2924 13.3080 13.3080 k = 0.0000 0.0000 0.1638 ( 4744 PWs) bands (ev): -26.6343 -26.6343 -14.2205 -14.2205 -11.9848 -11.9848 -11.9246 -11.9246 -11.8074 -11.8074 -10.8614 -10.8614 -10.8118 -10.8118 -9.2808 -9.2808 -8.2077 -8.2077 -8.1805 -8.1805 -4.1546 -4.1546 -0.2816 -0.2816 0.1157 0.1157 0.7578 0.7578 0.8713 0.8713 1.1076 1.1076 1.2593 1.2593 3.4929 3.4929 3.8034 3.8034 3.8106 3.8106 4.1321 4.1321 4.2745 4.2745 4.3095 4.3095 4.4226 4.4226 4.7165 4.7165 4.7308 4.7308 4.7740 4.7740 4.7790 4.7790 8.6957 8.6957 11.9431 11.9431 12.4847 12.4847 13.2390 13.2390 13.2866 13.2866 13.2989 13.2989 k = 0.0000 0.0000 0.1801 ( 4726 PWs) bands (ev): -26.6343 -26.6343 -14.2215 -14.2215 -11.9865 -11.9865 -11.9258 -11.9258 -11.8033 -11.8033 -10.8553 -10.8553 -10.8078 -10.8078 -9.2879 -9.2879 -8.2128 -8.2128 -8.1867 -8.1867 -4.1531 -4.1531 -0.2612 -0.2612 0.1114 0.1114 0.7697 0.7697 0.8850 0.8850 1.1016 1.1016 1.2529 1.2529 3.5046 3.5046 3.8130 3.8130 3.8201 3.8201 4.1201 4.1201 4.2655 4.2655 4.3009 4.3009 4.3855 4.3855 4.7176 4.7176 4.7310 4.7310 4.7679 4.7679 4.7726 4.7726 8.7389 8.7389 11.9596 11.9596 12.4535 12.4535 13.2330 13.2330 13.2803 13.2803 13.2888 13.2888 k = 0.0000 0.0000 0.1965 ( 4744 PWs) bands (ev): -26.6342 -26.6342 -14.2227 -14.2227 -11.9883 -11.9883 -11.9270 -11.9270 -11.7991 -11.7991 -10.8490 -10.8490 -10.8036 -10.8036 -9.2955 -9.2955 -8.2181 -8.2181 -8.1931 -8.1931 -4.1515 -4.1515 -0.2396 -0.2396 0.1069 0.1069 0.7822 0.7822 0.8996 0.8996 1.0954 1.0954 1.2462 1.2462 3.5173 3.5173 3.8231 3.8231 3.8301 3.8301 4.1064 4.1064 4.2559 4.2559 4.2919 4.2919 4.3476 4.3476 4.7129 4.7129 4.7236 4.7236 4.7672 4.7672 4.7733 4.7733 8.7841 8.7841 11.9768 11.9768 12.4212 12.4212 13.2262 13.2262 13.2735 13.2735 13.2780 13.2780 k = 0.0000 0.0000 0.2129 ( 4744 PWs) bands (ev): -26.6342 -26.6342 -14.2238 -14.2238 -11.9901 -11.9901 -11.9283 -11.9283 -11.7947 -11.7947 -10.8423 -10.8423 -10.7993 -10.7993 -9.3033 -9.3033 -8.2236 -8.2236 -8.1998 -8.1998 -4.1498 -4.1498 -0.2169 -0.2169 0.1023 0.1023 0.7953 0.7953 0.9147 0.9147 1.0890 1.0890 1.2393 1.2393 3.5307 3.5307 3.8337 3.8337 3.8406 3.8406 4.0909 4.0909 4.2458 4.2458 4.2823 4.2823 4.3099 4.3099 4.7030 4.7030 4.7107 4.7107 4.7715 4.7715 4.7792 4.7792 8.8308 8.8308 11.9948 11.9948 12.3881 12.3881 13.2185 13.2185 13.2664 13.2664 13.2666 13.2666 k = 0.0000 0.0000 0.2293 ( 4726 PWs) bands (ev): -26.6342 -26.6342 -14.2250 -14.2250 -11.9920 -11.9920 -11.9296 -11.9296 -11.7902 -11.7902 -10.8355 -10.8355 -10.7948 -10.7948 -9.3113 -9.3113 -8.2292 -8.2292 -8.2066 -8.2066 -4.1482 -4.1482 -0.1935 -0.1935 0.0975 0.0975 0.8089 0.8089 0.9303 0.9303 1.0826 1.0826 1.2324 1.2324 3.5449 3.5449 3.8447 3.8447 3.8514 3.8514 4.0733 4.0733 4.2349 4.2349 4.2724 4.2724 4.2732 4.2732 4.6901 4.6901 4.6953 4.6953 4.7786 4.7786 4.7873 4.7873 8.8784 8.8784 12.0132 12.0132 12.3545 12.3545 13.2102 13.2102 13.2547 13.2547 13.2588 13.2588 k = 0.0000 0.0000 0.2456 ( 4720 PWs) bands (ev): -26.6342 -26.6342 -14.2262 -14.2262 -11.9938 -11.9938 -11.9309 -11.9309 -11.7857 -11.7857 -10.8286 -10.8286 -10.7903 -10.7903 -9.3195 -9.3195 -8.2349 -8.2349 -8.2134 -8.2134 -4.1464 -4.1464 -0.1696 -0.1696 0.0926 0.0926 0.8227 0.8227 0.9462 0.9462 1.0761 1.0761 1.2254 1.2254 3.5598 3.5598 3.8559 3.8559 3.8626 3.8626 4.0533 4.0533 4.2219 4.2219 4.2399 4.2399 4.2620 4.2620 4.6757 4.6757 4.6789 4.6789 4.7869 4.7869 4.7963 4.7963 8.9266 8.9266 12.0318 12.0318 12.3207 12.3207 13.2013 13.2013 13.2425 13.2425 13.2511 13.2511 k = 0.0000 0.0000 0.2620 ( 4720 PWs) bands (ev): -26.6342 -26.6342 -14.2274 -14.2274 -11.9957 -11.9957 -11.9322 -11.9322 -11.7811 -11.7811 -10.8216 -10.8216 -10.7858 -10.7858 -9.3277 -9.3277 -8.2406 -8.2406 -8.2203 -8.2203 -4.1447 -4.1447 -0.1453 -0.1453 0.0877 0.0877 0.8367 0.8367 0.9623 0.9623 1.0696 1.0696 1.2185 1.2185 3.5753 3.5753 3.8675 3.8675 3.8740 3.8740 4.0308 4.0308 4.1989 4.1989 4.2184 4.2184 4.2513 4.2513 4.6607 4.6607 4.6621 4.6621 4.7958 4.7958 4.8056 4.8056 8.9748 8.9748 12.0505 12.0505 12.2869 12.2869 13.1918 13.1918 13.2303 13.2303 13.2431 13.2431 k = 0.0000 0.0000 0.2784 ( 4708 PWs) bands (ev): -26.6341 -26.6341 -14.2286 -14.2286 -11.9975 -11.9975 -11.9335 -11.9335 -11.7766 -11.7766 -10.8147 -10.8147 -10.7813 -10.7813 -9.3359 -9.3359 -8.2463 -8.2463 -8.2271 -8.2271 -4.1430 -4.1430 -0.1210 -0.1210 0.0829 0.0829 0.8507 0.8507 0.9784 0.9784 1.0632 1.0632 1.2117 1.2117 3.5911 3.5911 3.8792 3.8792 3.8855 3.8855 4.0059 4.0059 4.1697 4.1697 4.2054 4.2054 4.2402 4.2402 4.6454 4.6454 4.6455 4.6455 4.8049 4.8049 4.8150 4.8150 9.0226 9.0226 12.0690 12.0690 12.2535 12.2535 13.1819 13.1819 13.2183 13.2183 13.2351 13.2351 k = 0.0000 0.0000 0.2948 ( 4702 PWs) bands (ev): -26.6341 -26.6341 -14.2297 -14.2297 -11.9992 -11.9992 -11.9348 -11.9348 -11.7722 -11.7722 -10.8078 -10.8078 -10.7769 -10.7769 -9.3440 -9.3440 -8.2518 -8.2518 -8.2338 -8.2338 -4.1413 -4.1413 -0.0970 -0.0970 0.0781 0.0781 0.8645 0.8645 0.9942 0.9942 1.0570 1.0570 1.2050 1.2050 3.6073 3.6073 3.8910 3.8910 3.8971 3.8971 3.9790 3.9790 4.1420 4.1420 4.1935 4.1935 4.2288 4.2288 4.6291 4.6291 4.6304 4.6304 4.8140 4.8140 4.8242 4.8242 9.0695 9.0695 12.0872 12.0872 12.2207 12.2207 13.1716 13.1716 13.2066 13.2066 13.2271 13.2271 k = 0.0000 0.0000 0.3111 ( 4702 PWs) bands (ev): -26.6341 -26.6341 -14.2308 -14.2308 -12.0009 -12.0009 -11.9360 -11.9360 -11.7679 -11.7679 -10.8012 -10.8012 -10.7727 -10.7727 -9.3519 -9.3519 -8.2572 -8.2572 -8.2402 -8.2402 -4.1397 -4.1397 -0.0734 -0.0734 0.0735 0.0735 0.8780 0.8780 1.0096 1.0096 1.0511 1.0511 1.1987 1.1987 3.6235 3.6235 3.9028 3.9028 3.9087 3.9087 3.9510 3.9510 4.1164 4.1164 4.1818 4.1818 4.2172 4.2172 4.6132 4.6132 4.6158 4.6158 4.8228 4.8228 4.8332 4.8332 9.1151 9.1151 12.1047 12.1047 12.1889 12.1889 13.1611 13.1611 13.1956 13.1956 13.2192 13.2192 k = 0.0000 0.0000 0.3275 ( 4702 PWs) bands (ev): -26.6341 -26.6341 -14.2319 -14.2319 -12.0025 -12.0025 -11.9371 -11.9371 -11.7638 -11.7638 -10.7948 -10.7948 -10.7686 -10.7686 -9.3594 -9.3594 -8.2624 -8.2624 -8.2464 -8.2464 -4.1382 -4.1382 -0.0507 -0.0507 0.0691 0.0691 0.8910 0.8910 1.0245 1.0245 1.0454 1.0454 1.1926 1.1926 3.6395 3.6395 3.9146 3.9146 3.9188 3.9188 3.9244 3.9244 4.0927 4.0927 4.1702 4.1702 4.2054 4.2054 4.5982 4.5982 4.6017 4.6017 4.8312 4.8312 4.8417 4.8417 9.1588 9.1588 12.1214 12.1214 12.1583 12.1583 13.1505 13.1505 13.1853 13.1853 13.2116 13.2116 k = 0.0000 0.0000 0.3439 ( 4708 PWs) bands (ev): -26.6341 -26.6341 -14.2329 -14.2329 -12.0039 -12.0039 -11.9382 -11.9382 -11.7600 -11.7600 -10.7888 -10.7888 -10.7648 -10.7648 -9.3666 -9.3666 -8.2672 -8.2672 -8.2521 -8.2521 -4.1367 -4.1367 -0.0290 -0.0290 0.0650 0.0650 0.9033 0.9033 1.0387 1.0387 1.0402 1.0402 1.1870 1.1870 3.6548 3.6548 3.8958 3.8958 3.9263 3.9263 3.9320 3.9320 4.0704 4.0704 4.1586 4.1586 4.1935 4.1935 4.5841 4.5841 4.5884 4.5884 4.8391 4.8391 4.8498 4.8498 9.2002 9.2002 12.1280 12.1280 12.1385 12.1385 13.1401 13.1401 13.1758 13.1758 13.2043 13.2043 k = 0.0000 0.0000 0.3603 ( 4732 PWs) bands (ev): -26.6341 -26.6341 -14.2338 -14.2338 -12.0053 -12.0053 -11.9392 -11.9392 -11.7564 -11.7564 -10.7831 -10.7831 -10.7613 -10.7613 -9.3732 -9.3732 -8.2717 -8.2717 -8.2575 -8.2575 -4.1354 -4.1354 -0.0087 -0.0087 0.0611 0.0611 0.9148 0.9148 1.0353 1.0353 1.0519 1.0519 1.1817 1.1817 3.6688 3.6688 3.8719 3.8719 3.9378 3.9378 3.9431 3.9431 4.0492 4.0492 4.1472 4.1472 4.1816 4.1816 4.5712 4.5712 4.5761 4.5761 4.8465 4.8465 4.8572 4.8572 9.2388 9.2388 12.1014 12.1014 12.1525 12.1525 13.1302 13.1302 13.1671 13.1671 13.1974 13.1974 k = 0.0000 0.0000 0.3767 ( 4738 PWs) bands (ev): -26.6340 -26.6340 -14.2347 -14.2347 -12.0065 -12.0065 -11.9401 -11.9401 -11.7532 -11.7532 -10.7780 -10.7780 -10.7581 -10.7581 -9.3793 -9.3793 -8.2758 -8.2758 -8.2624 -8.2624 -4.1342 -4.1342 0.0099 0.0099 0.0578 0.0578 0.9254 0.9254 1.0309 1.0309 1.0640 1.0640 1.1770 1.1770 3.6805 3.6805 3.8523 3.8523 3.9490 3.9490 3.9541 3.9541 4.0287 4.0287 4.1360 4.1360 4.1698 4.1698 4.5595 4.5595 4.5649 4.5649 4.8532 4.8532 4.8640 4.8640 9.2742 9.2742 12.0764 12.0764 12.1658 12.1658 13.1208 13.1208 13.1594 13.1594 13.1911 13.1911 k = 0.0000 0.0000 0.3930 ( 4732 PWs) bands (ev): -26.6340 -26.6340 -14.2354 -14.2354 -12.0076 -12.0076 -11.9409 -11.9409 -11.7503 -11.7503 -10.7734 -10.7734 -10.7552 -10.7552 -9.3848 -9.3848 -8.2795 -8.2795 -8.2667 -8.2667 -4.1331 -4.1331 0.0264 0.0264 0.0550 0.0550 0.9349 0.9349 1.0269 1.0269 1.0749 1.0749 1.1727 1.1727 3.6887 3.6887 3.8388 3.8388 3.9598 3.9598 3.9646 3.9646 4.0086 4.0086 4.1252 4.1252 4.1584 4.1584 4.5491 4.5491 4.5549 4.5549 4.8592 4.8592 4.8700 4.8700 9.3059 9.3059 12.0539 12.0539 12.1778 12.1778 13.1123 13.1123 13.1526 13.1526 13.1855 13.1855 k = 0.0000 0.0000 0.4094 ( 4732 PWs) bands (ev): -26.6340 -26.6340 -14.2361 -14.2361 -12.0086 -12.0086 -11.9415 -11.9415 -11.7477 -11.7477 -10.7694 -10.7694 -10.7527 -10.7527 -9.3895 -9.3895 -8.2826 -8.2826 -8.2705 -8.2705 -4.1321 -4.1321 0.0398 0.0398 0.0536 0.0536 0.9432 0.9432 1.0235 1.0235 1.0845 1.0845 1.1690 1.1690 3.6923 3.6923 3.8329 3.8329 3.9701 3.9701 3.9747 3.9747 3.9891 3.9891 4.1148 4.1148 4.1475 4.1475 4.5402 4.5402 4.5462 4.5462 4.8643 4.8643 4.8752 4.8752 9.3335 9.3335 12.0342 12.0342 12.1882 12.1882 13.1048 13.1048 13.1468 13.1468 13.1805 13.1805 k = 0.0000 0.0000 0.4258 ( 4732 PWs) bands (ev): -26.6340 -26.6340 -14.2366 -14.2366 -12.0093 -12.0093 -11.9421 -11.9421 -11.7456 -11.7456 -10.7660 -10.7660 -10.7506 -10.7506 -9.3935 -9.3935 -8.2853 -8.2853 -8.2736 -8.2736 -4.1313 -4.1313 0.0459 0.0459 0.0575 0.0575 0.9501 0.9501 1.0207 1.0207 1.0925 1.0925 1.1659 1.1659 3.6916 3.6916 3.8346 3.8346 3.9697 3.9697 3.9795 3.9795 3.9842 3.9842 4.1051 4.1051 4.1374 4.1374 4.5329 4.5329 4.5390 4.5390 4.8686 4.8686 4.8795 4.8795 9.3567 9.3567 12.0176 12.0176 12.1969 12.1969 13.0984 13.0984 13.1419 13.1419 13.1764 13.1764 k = 0.0000 0.0000 0.4422 ( 4720 PWs) bands (ev): -26.6340 -26.6340 -14.2370 -14.2370 -12.0100 -12.0100 -11.9425 -11.9425 -11.7440 -11.7440 -10.7634 -10.7634 -10.7490 -10.7490 -9.3967 -9.3967 -8.2873 -8.2873 -8.2761 -8.2761 -4.1307 -4.1307 0.0458 0.0458 0.0657 0.0657 0.9556 0.9556 1.0185 1.0185 1.0988 1.0988 1.1635 1.1635 3.6881 3.6881 3.8422 3.8422 3.9511 3.9511 3.9878 3.9878 3.9926 3.9926 4.0965 4.0965 4.1286 4.1286 4.5271 4.5271 4.5333 4.5333 4.8720 4.8720 4.8829 4.8829 9.3751 9.3751 12.0044 12.0044 12.2038 12.2038 13.0934 13.0934 13.1382 13.1382 13.1731 13.1731 k = 0.0000 0.0000 0.4585 ( 4708 PWs) bands (ev): -26.6340 -26.6340 -14.2373 -14.2373 -12.0104 -12.0104 -11.9429 -11.9429 -11.7428 -11.7428 -10.7614 -10.7614 -10.7478 -10.7478 -9.3989 -9.3989 -8.2888 -8.2888 -8.2779 -8.2779 -4.1302 -4.1302 0.0449 0.0449 0.0725 0.0725 0.9596 0.9596 1.0169 1.0169 1.1035 1.1035 1.1617 1.1617 3.6842 3.6842 3.8534 3.8534 3.9334 3.9334 3.9944 3.9944 3.9995 3.9995 4.0894 4.0894 4.1216 4.1216 4.5230 4.5230 4.5292 4.5292 4.8745 4.8745 4.8854 4.8854 9.3885 9.3885 11.9948 11.9948 12.2087 12.2087 13.0897 13.0897 13.1354 13.1354 13.1707 13.1707 k = 0.0000 0.0000 0.4749 ( 4726 PWs) bands (ev): -26.6340 -26.6340 -14.2375 -14.2375 -12.0107 -12.0107 -11.9431 -11.9431 -11.7421 -11.7421 -10.7603 -10.7603 -10.7471 -10.7471 -9.4003 -9.4003 -8.2898 -8.2898 -8.2790 -8.2790 -4.1300 -4.1300 0.0442 0.0442 0.0766 0.0766 0.9621 0.9621 1.0159 1.0159 1.1063 1.1063 1.1606 1.1606 3.6812 3.6812 3.8651 3.8651 3.9183 3.9183 3.9988 3.9988 4.0042 4.0042 4.0846 4.0846 4.1169 4.1169 4.5205 4.5205 4.5267 4.5267 4.8760 4.8760 4.8869 4.8869 9.3966 9.3966 11.9889 11.9889 12.2117 12.2117 13.0874 13.0874 13.1338 13.1338 13.1693 13.1693 k = 0.0000 0.0000 0.4913 ( 4714 PWs) bands (ev): -26.6340 -26.6340 -14.2376 -14.2376 -12.0107 -12.0107 -11.9431 -11.9431 -11.7418 -11.7418 -10.7599 -10.7599 -10.7468 -10.7468 -9.4008 -9.4008 -8.2901 -8.2901 -8.2793 -8.2793 -4.1299 -4.1299 0.0440 0.0440 0.0781 0.0781 0.9629 0.9629 1.0156 1.0156 1.1072 1.1072 1.1602 1.1602 3.6801 3.6801 3.8713 3.8713 3.9111 3.9111 4.0003 4.0003 4.0059 4.0059 4.0829 4.0829 4.1153 4.1153 4.5196 4.5196 4.5259 4.5259 4.8765 4.8765 4.8874 4.8874 9.3993 9.3993 11.9870 11.9870 12.2127 12.2127 13.0867 13.0867 13.1332 13.1332 13.1688 13.1688 k = 0.0000 0.0000 0.4913 ( 4714 PWs) bands (ev): -26.6340 -26.6340 -14.2376 -14.2376 -12.0107 -12.0107 -11.9431 -11.9431 -11.7418 -11.7418 -10.7599 -10.7599 -10.7468 -10.7468 -9.4008 -9.4008 -8.2901 -8.2901 -8.2793 -8.2793 -4.1299 -4.1299 0.0440 0.0440 0.0781 0.0781 0.9629 0.9629 1.0156 1.0156 1.1072 1.1072 1.1602 1.1602 3.6801 3.6801 3.8713 3.8713 3.9111 3.9111 4.0003 4.0003 4.0059 4.0059 4.0829 4.0829 4.1153 4.1153 4.5196 4.5196 4.5259 4.5259 4.8765 4.8765 4.8874 4.8874 9.3993 9.3993 11.9870 11.9870 12.2127 12.2127 13.0867 13.0867 13.1332 13.1332 13.1688 13.1688 k = 0.0143 0.0082 0.4913 ( 4710 PWs) bands (ev): -26.6340 -26.6340 -14.2368 -14.2368 -12.0117 -12.0117 -11.9442 -11.9442 -11.7410 -11.7410 -10.7602 -10.7602 -10.7473 -10.7473 -9.4005 -9.4005 -8.2899 -8.2899 -8.2791 -8.2791 -4.1277 -4.1277 0.0428 0.0428 0.0755 0.0755 0.9617 0.9617 1.0186 1.0186 1.1072 1.1072 1.1626 1.1626 3.6803 3.6803 3.8722 3.8722 3.8924 3.8924 3.9990 3.9990 4.0180 4.0180 4.0867 4.0867 4.1179 4.1179 4.5182 4.5182 4.5246 4.5246 4.8768 4.8768 4.8876 4.8876 9.4016 9.4016 11.9894 11.9894 12.2119 12.2119 13.0871 13.0871 13.1332 13.1332 13.1682 13.1682 k = 0.0286 0.0165 0.4913 ( 4712 PWs) bands (ev): -26.6340 -26.6340 -14.2344 -14.2344 -12.0147 -12.0147 -11.9475 -11.9475 -11.7387 -11.7387 -10.7612 -10.7612 -10.7486 -10.7486 -9.3995 -9.3995 -8.2894 -8.2894 -8.2784 -8.2784 -4.1213 -4.1213 0.0392 0.0392 0.0679 0.0679 0.9587 0.9587 1.0268 1.0268 1.1072 1.1072 1.1698 1.1698 3.6805 3.6805 3.8539 3.8539 3.8748 3.8748 3.9896 3.9896 4.0420 4.0420 4.0983 4.0983 4.1260 4.1260 4.5136 4.5136 4.5209 4.5209 4.8776 4.8776 4.8884 4.8884 9.4084 9.4084 11.9964 11.9964 12.2093 12.2093 13.0883 13.0883 13.1332 13.1332 13.1665 13.1665 k = 0.0429 0.0247 0.4913 ( 4714 PWs) bands (ev): -26.6340 -26.6340 -14.2305 -14.2305 -12.0198 -12.0198 -11.9527 -11.9527 -11.7350 -11.7350 -10.7628 -10.7628 -10.7507 -10.7507 -9.3980 -9.3980 -8.2887 -8.2887 -8.2773 -8.2773 -4.1106 -4.1106 0.0332 0.0332 0.0556 0.0556 0.9546 0.9546 1.0385 1.0385 1.1076 1.1076 1.1820 1.1820 3.6795 3.6795 3.8103 3.8103 3.8791 3.8791 3.9759 3.9759 4.0601 4.0601 4.1147 4.1147 4.1427 4.1427 4.5060 4.5060 4.5153 4.5153 4.8789 4.8789 4.8895 4.8895 9.4198 9.4198 12.0081 12.0081 12.2051 12.2051 13.0899 13.0899 13.1336 13.1336 13.1640 13.1640 k = 0.0571 0.0330 0.4913 ( 4706 PWs) bands (ev): -26.6340 -26.6340 -14.2250 -14.2250 -12.0271 -12.0271 -11.9595 -11.9595 -11.7299 -11.7299 -10.7651 -10.7651 -10.7535 -10.7535 -9.3959 -9.3959 -8.2877 -8.2877 -8.2756 -8.2756 -4.0957 -4.0957 0.0241 0.0241 0.0398 0.0398 0.9500 0.9500 1.0517 1.0517 1.1093 1.1093 1.1993 1.1993 3.6736 3.6736 3.7689 3.7689 3.8849 3.8849 3.9598 3.9598 4.0720 4.0720 4.1283 4.1283 4.1705 4.1705 4.4960 4.4960 4.5082 4.5082 4.8804 4.8804 4.8910 4.8910 9.4356 9.4356 12.0242 12.0242 12.1992 12.1992 13.0911 13.0911 13.1348 13.1348 13.1608 13.1608 k = 0.0714 0.0412 0.4913 ( 4716 PWs) bands (ev): -26.6339 -26.6339 -14.2179 -14.2179 -12.0368 -12.0368 -11.9675 -11.9675 -11.7237 -11.7237 -10.7683 -10.7683 -10.7569 -10.7569 -9.3933 -9.3933 -8.2866 -8.2866 -8.2734 -8.2734 -4.0767 -4.0767 0.0085 0.0085 0.0248 0.0248 0.9448 0.9448 1.0640 1.0640 1.1139 1.1139 1.2220 1.2220 3.6528 3.6528 3.7408 3.7408 3.8920 3.8920 3.9421 3.9421 4.0811 4.0811 4.1382 4.1382 4.2041 4.2041 4.4843 4.4843 4.4996 4.4996 4.8821 4.8821 4.8926 4.8926 9.4555 9.4555 12.0445 12.0445 12.1915 12.1915 13.0912 13.0912 13.1373 13.1373 13.1579 13.1579 k = 0.0857 0.0495 0.4913 ( 4722 PWs) bands (ev): -26.6339 -26.6339 -14.2093 -14.2093 -12.0493 -12.0493 -11.9762 -11.9762 -11.7165 -11.7165 -10.7724 -10.7724 -10.7608 -10.7608 -9.3901 -9.3901 -8.2854 -8.2854 -8.2705 -8.2705 -4.0536 -4.0536 -0.0160 -0.0160 0.0133 0.0133 0.9389 0.9389 1.0732 1.0732 1.1231 1.1231 1.2500 1.2500 3.6119 3.6119 3.7316 3.7316 3.8986 3.8986 3.9250 3.9250 4.0895 4.0895 4.1453 4.1453 4.2391 4.2391 4.4724 4.4724 4.4899 4.4899 4.8838 4.8838 4.8942 4.8942 9.4795 9.4795 12.0689 12.0689 12.1821 12.1821 13.0896 13.0896 13.1398 13.1398 13.1573 13.1573 k = 0.1000 0.0577 0.4913 ( 4718 PWs) bands (ev): -26.6339 -26.6339 -14.1991 -14.1991 -12.0647 -12.0647 -11.9852 -11.9852 -11.7085 -11.7085 -10.7773 -10.7773 -10.7648 -10.7648 -9.3865 -9.3865 -8.2842 -8.2842 -8.2671 -8.2671 -4.0266 -4.0266 -0.0460 -0.0460 0.0031 0.0031 0.9319 0.9319 1.0789 1.0789 1.1369 1.1369 1.2831 1.2831 3.5597 3.5597 3.7326 3.7326 3.8932 3.8932 3.9200 3.9200 4.0977 4.0977 4.1492 4.1492 4.2738 4.2738 4.4614 4.4614 4.4792 4.4792 4.8853 4.8853 4.8957 4.8957 9.5072 9.5072 12.0969 12.0969 12.1709 12.1709 13.0862 13.0862 13.1391 13.1391 13.1626 13.1626 k = 0.1143 0.0660 0.4913 ( 4722 PWs) bands (ev): -26.6339 -26.6339 -14.1874 -14.1874 -12.0832 -12.0832 -11.9941 -11.9941 -11.6999 -11.6999 -10.7833 -10.7833 -10.7691 -10.7691 -9.3825 -9.3825 -8.2829 -8.2829 -8.2631 -8.2631 -3.9958 -3.9958 -0.0802 -0.0802 -0.0065 -0.0065 0.9239 0.9239 1.0828 1.0828 1.1537 1.1537 1.3210 1.3210 3.5026 3.5026 3.7378 3.7378 3.8733 3.8733 3.9294 3.9294 4.1058 4.1058 4.1492 4.1492 4.3079 4.3079 4.4525 4.4525 4.4682 4.4682 4.8867 4.8867 4.8969 4.8969 9.5384 9.5384 12.1283 12.1283 12.1581 12.1581 13.0812 13.0812 13.1356 13.1356 13.1736 13.1736 k = 0.1286 0.0742 0.4913 ( 4722 PWs) bands (ev): -26.6339 -26.6339 -14.1742 -14.1742 -12.1048 -12.1048 -12.0026 -12.0026 -11.6907 -11.6907 -10.7900 -10.7900 -10.7735 -10.7735 -9.3781 -9.3781 -8.2816 -8.2816 -8.2586 -8.2586 -3.9613 -3.9613 -0.1180 -0.1180 -0.0156 -0.0156 0.9146 0.9146 1.0863 1.0863 1.1719 1.1719 1.3629 1.3629 3.4428 3.4428 3.7448 3.7448 3.8498 3.8498 3.9423 3.9423 4.1135 4.1135 4.1451 4.1451 4.3408 4.3408 4.4456 4.4456 4.4581 4.4581 4.8878 4.8878 4.8977 4.8977 9.5728 9.5728 12.1429 12.1429 12.1632 12.1632 13.0752 13.0752 13.1312 13.1312 13.1883 13.1883 k = 0.1429 0.0825 0.4913 ( 4726 PWs) bands (ev): -26.6338 -26.6338 -14.1595 -14.1595 -12.1292 -12.1292 -12.0108 -12.0108 -11.6813 -11.6813 -10.7975 -10.7975 -10.7780 -10.7780 -9.3734 -9.3734 -8.2802 -8.2802 -8.2537 -8.2537 -3.9233 -3.9233 -0.1590 -0.1590 -0.0237 -0.0237 0.9040 0.9040 1.0903 1.0903 1.1908 1.1908 1.4081 1.4081 3.3813 3.3813 3.7524 3.7524 3.8246 3.8246 3.9569 3.9569 4.1189 4.1189 4.1386 4.1386 4.3726 4.3726 4.4378 4.4378 4.4528 4.4528 4.8885 4.8885 4.8981 4.8981 9.6100 9.6100 12.1266 12.1266 12.1999 12.1999 13.0687 13.0687 13.1265 13.1265 13.2060 13.2060 k = 0.1571 0.0907 0.4913 ( 4734 PWs) bands (ev): -26.6338 -26.6338 -14.1433 -14.1433 -12.1563 -12.1563 -12.0186 -12.0186 -11.6716 -11.6716 -10.8055 -10.8055 -10.7828 -10.7828 -9.3685 -9.3685 -8.2787 -8.2787 -8.2484 -8.2484 -3.8820 -3.8820 -0.2029 -0.2029 -0.0308 -0.0308 0.8924 0.8924 1.0951 1.0951 1.2100 1.2100 1.4559 1.4559 3.3189 3.3189 3.7586 3.7586 3.7994 3.7994 3.9724 3.9724 4.1150 4.1150 4.1371 4.1371 4.4021 4.4021 4.4284 4.4284 4.4543 4.4543 4.8889 4.8889 4.8981 4.8981 9.6499 9.6499 12.1083 12.1083 12.2390 12.2390 13.0620 13.0620 13.1218 13.1218 13.2265 13.2265 k = 0.1714 0.0990 0.4913 ( 4730 PWs) bands (ev): -26.6338 -26.6338 -14.1257 -14.1257 -12.1859 -12.1859 -12.0259 -12.0259 -11.6617 -11.6617 -10.8139 -10.8139 -10.7877 -10.7877 -9.3634 -9.3634 -8.2772 -8.2772 -8.2427 -8.2427 -3.8376 -3.8376 -0.2495 -0.2495 -0.0364 -0.0364 0.8797 0.8797 1.1010 1.1010 1.2294 1.2294 1.5056 1.5056 3.2560 3.2560 3.7527 3.7527 3.7844 3.7844 3.9885 3.9885 4.1014 4.1014 4.1419 4.1419 4.4121 4.4121 4.4367 4.4367 4.4605 4.4605 4.8889 4.8889 4.8976 4.8976 9.6920 9.6920 12.0883 12.0883 12.2798 12.2798 13.0556 13.0556 13.1173 13.1173 13.2495 13.2495 k = 0.1857 0.1072 0.4913 ( 4728 PWs) bands (ev): -26.6338 -26.6338 -14.1067 -14.1067 -12.2177 -12.2177 -12.0329 -12.0329 -11.6519 -11.6519 -10.8227 -10.8227 -10.7928 -10.7928 -9.3581 -9.3581 -8.2757 -8.2757 -8.2367 -8.2367 -3.7903 -3.7903 -0.2984 -0.2984 -0.0406 -0.0406 0.8663 0.8663 1.1080 1.1080 1.2488 1.2488 1.5562 1.5562 3.1933 3.1933 3.7262 3.7262 3.7880 3.7880 4.0038 4.0038 4.0856 4.0856 4.1474 4.1474 4.4025 4.4025 4.4633 4.4633 4.4705 4.4705 4.8886 4.8886 4.8968 4.8968 9.7361 9.7361 12.0664 12.0664 12.3218 12.3218 13.0497 13.0497 13.1130 13.1130 13.2749 13.2749 k = 0.2000 0.1155 0.4913 ( 4728 PWs) bands (ev): -26.6337 -26.6337 -14.0863 -14.0863 -12.2516 -12.2516 -12.0395 -12.0395 -11.6421 -11.6421 -10.8317 -10.8317 -10.7980 -10.7980 -9.3528 -9.3528 -8.2741 -8.2741 -8.2305 -8.2305 -3.7402 -3.7402 -0.3494 -0.3494 -0.0430 -0.0430 0.8524 0.8524 1.1161 1.1161 1.2680 1.2680 1.6071 1.6071 3.1313 3.1313 3.6929 3.6929 3.7960 3.7960 4.0148 4.0148 4.0735 4.0735 4.1521 4.1521 4.3926 4.3926 4.4801 4.4801 4.4926 4.4926 4.8878 4.8878 4.8956 4.8956 9.7817 9.7817 12.0428 12.0428 12.3647 12.3647 13.0448 13.0448 13.1089 13.1089 13.3028 13.3028 k = 0.2143 0.1237 0.4913 ( 4732 PWs) bands (ev): -26.6337 -26.6337 -14.0646 -14.0646 -12.2873 -12.2873 -12.0458 -12.0458 -11.6325 -11.6325 -10.8407 -10.8407 -10.8032 -10.8032 -9.3475 -9.3475 -8.2725 -8.2725 -8.2242 -8.2242 -3.6876 -3.6876 -0.4023 -0.4023 -0.0438 -0.0438 0.8382 0.8382 1.1251 1.1251 1.2871 1.2871 1.6573 1.6573 3.0709 3.0709 3.6565 3.6565 3.8045 3.8045 4.0136 4.0136 4.0736 4.0736 4.1553 4.1553 4.3837 4.3837 4.4930 4.4930 4.5192 4.5192 4.8867 4.8867 4.8942 4.8942 9.8287 9.8287 12.0175 12.0175 12.4080 12.4080 13.0411 13.0411 13.1050 13.1050 13.3329 13.3329 k = 0.2286 0.1320 0.4913 ( 4740 PWs) bands (ev): -26.6337 -26.6337 -14.0416 -14.0416 -12.3246 -12.3246 -12.0517 -12.0517 -11.6231 -11.6231 -10.8498 -10.8498 -10.8086 -10.8086 -9.3422 -9.3422 -8.2708 -8.2708 -8.2177 -8.2177 -3.6328 -3.6328 -0.4569 -0.4569 -0.0427 -0.0427 0.8241 0.8241 1.1350 1.1350 1.3059 1.3059 1.7058 1.7058 3.0128 3.0128 3.6179 3.6179 3.8126 3.8126 4.0004 4.0004 4.0867 4.0867 4.1570 4.1570 4.3761 4.3761 4.5063 4.5063 4.5452 4.5452 4.8852 4.8852 4.8926 4.8926 9.8768 9.8768 11.9905 11.9905 12.4514 12.4514 13.0387 13.0387 13.1014 13.1014 13.3650 13.3650 k = 0.2429 0.1402 0.4913 ( 4752 PWs) bands (ev): -26.6336 -26.6336 -14.0173 -14.0173 -12.3633 -12.3633 -12.0572 -12.0572 -11.6139 -11.6139 -10.8588 -10.8588 -10.8140 -10.8140 -9.3370 -9.3370 -8.2691 -8.2691 -8.2112 -8.2112 -3.5760 -3.5760 -0.5129 -0.5129 -0.0399 -0.0399 0.8102 0.8102 1.1458 1.1458 1.3243 1.3243 1.7514 1.7514 2.9583 2.9583 3.5776 3.5776 3.8198 3.8198 3.9828 3.9828 4.1053 4.1053 4.1570 4.1570 4.3699 4.3699 4.5197 4.5197 4.5704 4.5704 4.8836 4.8836 4.8909 4.8909 9.9255 9.9255 11.9618 11.9618 12.4946 12.4946 13.0379 13.0379 13.0981 13.0981 13.3989 13.3989 k = 0.2571 0.1485 0.4913 ( 4744 PWs) bands (ev): -26.6336 -26.6336 -13.9919 -13.9919 -12.4032 -12.4032 -12.0624 -12.0624 -11.6052 -11.6052 -10.8676 -10.8676 -10.8194 -10.8194 -9.3319 -9.3319 -8.2675 -8.2675 -8.2047 -8.2047 -3.5174 -3.5174 -0.5702 -0.5702 -0.0354 -0.0354 0.7968 0.7968 1.1572 1.1572 1.3424 1.3424 1.7928 1.7928 2.9085 2.9085 3.5358 3.5358 3.8259 3.8259 3.9643 3.9643 4.1260 4.1260 4.1557 4.1557 4.3650 4.3650 4.5327 4.5327 4.5948 4.5948 4.8818 4.8818 4.8891 4.8891 9.9748 9.9748 11.9317 11.9317 12.5375 12.5375 13.0388 13.0388 13.0951 13.0951 13.4340 13.4340 k = 0.2714 0.1567 0.4913 ( 4740 PWs) bands (ev): -26.6336 -26.6336 -13.9653 -13.9653 -12.4441 -12.4441 -12.0672 -12.0672 -11.5968 -11.5968 -10.8761 -10.8761 -10.8247 -10.8247 -9.3269 -9.3269 -8.2658 -8.2658 -8.1982 -8.1982 -3.4574 -3.4574 -0.6285 -0.6285 -0.0292 -0.0292 0.7842 0.7842 1.1693 1.1693 1.3599 1.3599 1.8285 1.8285 2.8650 2.8650 3.4932 3.4932 3.8303 3.8303 3.9460 3.9460 4.1472 4.1472 4.1540 4.1540 4.3613 4.3613 4.5450 4.5450 4.6183 4.6183 4.8801 4.8801 4.8873 4.8873 10.0242 10.0242 11.9001 11.9001 12.5798 12.5798 13.0414 13.0414 13.0925 13.0925 13.4699 13.4699 k = 0.2857 0.1650 0.4913 ( 4740 PWs) bands (ev): -26.6335 -26.6335 -13.9377 -13.9377 -12.4859 -12.4859 -12.0716 -12.0716 -11.5889 -11.5889 -10.8843 -10.8843 -10.8300 -10.8300 -9.3221 -9.3221 -8.2642 -8.2642 -8.1918 -8.1918 -3.3963 -3.3963 -0.6876 -0.6876 -0.0215 -0.0215 0.7726 0.7726 1.1818 1.1818 1.3769 1.3769 1.8568 1.8568 2.8293 2.8293 3.4501 3.4501 3.8328 3.8328 3.9285 3.9285 4.1497 4.1497 4.1710 4.1710 4.3584 4.3584 4.5561 4.5561 4.6408 4.6408 4.8787 4.8787 4.8855 4.8855 10.0737 10.0737 11.8672 11.8672 12.6216 12.6216 13.0457 13.0457 13.0901 13.0901 13.5059 13.5059 k = 0.3000 0.1732 0.4913 ( 4740 PWs) bands (ev): -26.6335 -26.6335 -13.9092 -13.9092 -12.5282 -12.5282 -12.0758 -12.0758 -11.5815 -11.5815 -10.8922 -10.8922 -10.8352 -10.8352 -9.3176 -9.3176 -8.2626 -8.2626 -8.1856 -8.1856 -3.3343 -3.3343 -0.7472 -0.7472 -0.0125 -0.0125 0.7622 0.7622 1.1947 1.1947 1.3932 1.3932 1.8762 1.8762 2.8031 2.8031 3.4070 3.4070 3.8331 3.8331 3.9118 3.9118 4.1467 4.1467 4.1939 4.1939 4.3561 4.3561 4.5657 4.5657 4.6625 4.6625 4.8775 4.8775 4.8837 4.8837 10.1228 10.1228 11.8333 11.8333 12.6627 12.6627 13.0516 13.0516 13.0881 13.0881 13.5410 13.5410 k = 0.3143 0.1815 0.4913 ( 4744 PWs) bands (ev): -26.6335 -26.6335 -13.8798 -13.8798 -12.5709 -12.5709 -12.0795 -12.0795 -11.5745 -11.5745 -10.8995 -10.8995 -10.8401 -10.8401 -9.3132 -9.3132 -8.2610 -8.2610 -8.1796 -8.1796 -3.2719 -3.2719 -0.8070 -0.8070 -0.0024 -0.0024 0.7532 0.7532 1.2078 1.2078 1.4088 1.4088 1.8855 1.8855 2.7876 2.7876 3.3644 3.3644 3.8308 3.8308 3.8962 3.8962 4.1440 4.1440 4.2170 4.2170 4.3540 4.3540 4.5735 4.5735 4.6831 4.6831 4.8766 4.8766 4.8822 4.8822 10.1715 10.1715 11.7984 11.7984 12.7033 12.7033 13.0590 13.0590 13.0866 13.0866 13.5740 13.5740 k = 0.3286 0.1897 0.4913 ( 4738 PWs) bands (ev): -26.6334 -26.6334 -13.8497 -13.8497 -12.6137 -12.6137 -12.0830 -12.0830 -11.5681 -11.5681 -10.9064 -10.9064 -10.8449 -10.8449 -9.3092 -9.3092 -8.2596 -8.2596 -8.1738 -8.1738 -3.2094 -3.2094 -0.8667 -0.8667 0.0086 0.0086 0.7458 0.7458 1.2210 1.2210 1.4237 1.4237 1.8844 1.8844 2.7830 2.7830 3.3227 3.3227 3.8258 3.8258 3.8816 3.8816 4.1422 4.1422 4.2402 4.2402 4.3521 4.3521 4.5793 4.5793 4.7026 4.7026 4.8757 4.8757 4.8813 4.8813 10.2194 10.2194 11.7629 11.7629 12.7436 12.7436 13.0674 13.0674 13.0860 13.0860 13.6036 13.6036 k = 0.3429 0.1979 0.4913 ( 4742 PWs) bands (ev): -26.6334 -26.6334 -13.8192 -13.8192 -12.6564 -12.6564 -12.0861 -12.0861 -11.5623 -11.5623 -10.9128 -10.9128 -10.8495 -10.8495 -9.3054 -9.3054 -8.2582 -8.2582 -8.1683 -8.1683 -3.1473 -3.1473 -0.9260 -0.9260 0.0202 0.0202 0.7402 0.7402 1.2340 1.2340 1.4376 1.4376 1.8734 1.8734 2.7889 2.7889 3.2823 3.2823 3.8181 3.8181 3.8681 3.8681 4.1413 4.1413 4.2633 4.2633 4.3500 4.3500 4.5830 4.5830 4.7210 4.7210 4.8746 4.8746 4.8815 4.8815 10.2663 10.2663 11.7269 11.7269 12.7834 12.7834 13.0746 13.0746 13.0880 13.0880 13.6279 13.6279 k = 0.3571 0.2062 0.4913 ( 4742 PWs) bands (ev): -26.6334 -26.6334 -13.7883 -13.7883 -12.6987 -12.6987 -12.0889 -12.0889 -11.5570 -11.5570 -10.9186 -10.9186 -10.8538 -10.8538 -9.3019 -9.3019 -8.2568 -8.2568 -8.1632 -8.1632 -3.0860 -3.0860 -0.9843 -0.9843 0.0320 0.0320 0.7364 0.7364 1.2468 1.2468 1.4506 1.4506 1.8541 1.8541 2.8039 2.8039 3.2437 3.2437 3.8077 3.8077 3.8556 3.8556 4.1414 4.1414 4.2863 4.2863 4.3477 4.3477 4.5844 4.5844 4.7381 4.7381 4.8732 4.8732 4.8827 4.8827 10.3119 10.3119 11.6909 11.6909 12.8231 12.8231 13.0777 13.0777 13.0957 13.0957 13.6443 13.6443 k = 0.3714 0.2144 0.4913 ( 4742 PWs) bands (ev): -26.6334 -26.6334 -13.7573 -13.7573 -12.7402 -12.7402 -12.0914 -12.0914 -11.5523 -11.5523 -10.9239 -10.9239 -10.8578 -10.8578 -9.2987 -9.2987 -8.2556 -8.2556 -8.1584 -8.1584 -3.0263 -3.0263 -1.0412 -1.0412 0.0438 0.0438 0.7345 0.7345 1.2591 1.2591 1.4627 1.4627 1.8283 1.8283 2.8261 2.8261 3.2074 3.2074 3.7951 3.7951 3.8443 3.8443 4.1426 4.1426 4.3089 4.3089 4.3454 4.3454 4.5836 4.5836 4.7539 4.7539 4.8716 4.8716 4.8848 4.8848 10.3559 10.3559 11.6552 11.6552 12.8626 12.8626 13.0783 13.0783 13.1071 13.1071 13.6500 13.6500 k = 0.3857 0.2227 0.4913 ( 4748 PWs) bands (ev): -26.6333 -26.6333 -13.7266 -13.7266 -12.7805 -12.7805 -12.0936 -12.0936 -11.5481 -11.5481 -10.9285 -10.9285 -10.8615 -10.8615 -9.2959 -9.2959 -8.2545 -8.2545 -8.1540 -8.1540 -2.9687 -2.9687 -1.0961 -1.0961 0.0553 0.0553 0.7344 0.7344 1.2707 1.2707 1.4737 1.4737 1.7984 1.7984 2.8532 2.8532 3.1736 3.1736 3.7805 3.7805 3.8340 3.8340 4.1445 4.1445 4.3306 4.3306 4.3435 4.3435 4.5805 4.5805 4.7683 4.7683 4.8700 4.8700 4.8874 4.8874 10.3978 10.3978 11.6203 11.6203 12.9020 12.9020 13.0786 13.0786 13.1197 13.1197 13.6424 13.6424 k = 0.4000 0.2309 0.4913 ( 4746 PWs) bands (ev): -26.6333 -26.6333 -13.6966 -13.6966 -12.8191 -12.8191 -12.0955 -12.0955 -11.5445 -11.5445 -10.9326 -10.9326 -10.8648 -10.8648 -9.2933 -9.2933 -8.2535 -8.2535 -8.1501 -8.1501 -2.9140 -2.9140 -1.1482 -1.1482 0.0661 0.0661 0.7361 0.7361 1.2813 1.2813 1.4836 1.4836 1.7663 1.7663 2.8832 2.8832 3.1428 3.1428 3.7646 3.7646 3.8249 3.8249 4.1471 4.1471 4.3389 4.3389 4.3544 4.3544 4.5753 4.5753 4.7812 4.7812 4.8684 4.8684 4.8904 4.8904 10.4373 10.4373 11.5867 11.5867 12.9408 12.9408 13.0796 13.0796 13.1327 13.1327 13.6210 13.6210 k = 0.4143 0.2392 0.4913 ( 4744 PWs) bands (ev): -26.6333 -26.6333 -13.6678 -13.6678 -12.8556 -12.8556 -12.0971 -12.0971 -11.5414 -11.5414 -10.9361 -10.9361 -10.8678 -10.8678 -9.2911 -9.2911 -8.2526 -8.2526 -8.1466 -8.1466 -2.8631 -2.8631 -1.1968 -1.1968 0.0761 0.0761 0.7391 0.7391 1.2909 1.2909 1.4925 1.4925 1.7342 1.7342 2.9141 2.9141 3.1154 3.1154 3.7480 3.7480 3.8169 3.8169 4.1500 4.1500 4.3367 4.3367 4.3753 4.3753 4.5683 4.5683 4.7925 4.7925 4.8670 4.8670 4.8936 4.8936 10.4738 10.4738 11.5550 11.5550 12.9782 12.9782 13.0823 13.0823 13.1456 13.1456 13.5884 13.5884 k = 0.4286 0.2474 0.4913 ( 4744 PWs) bands (ev): -26.6333 -26.6333 -13.6409 -13.6409 -12.8891 -12.8891 -12.0985 -12.0985 -11.5388 -11.5388 -10.9391 -10.9391 -10.8703 -10.8703 -9.2893 -9.2893 -8.2519 -8.2519 -8.1436 -8.1436 -2.8171 -2.8171 -1.2408 -1.2408 0.0848 0.0848 0.7432 0.7432 1.2991 1.2991 1.5003 1.5003 1.7036 1.7036 2.9441 2.9441 3.0917 3.0917 3.7314 3.7314 3.8101 3.8101 4.1529 4.1529 4.3343 4.3343 4.3960 4.3960 4.5594 4.5594 4.8022 4.8022 4.8658 4.8658 4.8967 4.8967 10.5067 10.5067 11.5261 11.5261 13.0116 13.0116 13.0890 13.0890 13.1581 13.1581 13.5483 13.5483 k = 0.4429 0.2557 0.4913 ( 4752 PWs) bands (ev): -26.6333 -26.6333 -13.6166 -13.6166 -12.9187 -12.9187 -12.0996 -12.0996 -11.5367 -11.5367 -10.9415 -10.9415 -10.8725 -10.8725 -9.2877 -9.2877 -8.2513 -8.2513 -8.1412 -8.1412 -2.7770 -2.7770 -1.2791 -1.2791 0.0922 0.0922 0.7478 0.7478 1.3058 1.3058 1.5069 1.5069 1.6761 1.6761 2.9714 2.9714 3.0722 3.0722 3.7157 3.7157 3.8044 3.8044 4.1557 4.1557 4.3320 4.3320 4.4159 4.4159 4.5490 4.5490 4.8103 4.8103 4.8647 4.8647 4.8995 4.8995 10.5352 10.5352 11.5006 11.5006 13.0358 13.0358 13.1044 13.1044 13.1702 13.1702 13.5045 13.5045 k = 0.4571 0.2639 0.4913 ( 4752 PWs) bands (ev): -26.6333 -26.6333 -13.5960 -13.5960 -12.9436 -12.9436 -12.1004 -12.1004 -11.5351 -11.5351 -10.9433 -10.9433 -10.8741 -10.8741 -9.2865 -9.2865 -8.2508 -8.2508 -8.1392 -8.1392 -2.7441 -2.7441 -1.3106 -1.3106 0.0980 0.0980 0.7524 0.7524 1.3109 1.3109 1.5125 1.5125 1.6530 1.6530 2.9942 2.9942 3.0572 3.0572 3.7020 3.7020 3.8000 3.8000 4.1582 4.1582 4.3301 4.3301 4.4350 4.4350 4.5373 4.5373 4.8166 4.8166 4.8638 4.8638 4.9019 4.9019 10.5586 10.5586 11.4795 11.4795 13.0480 13.0480 13.1290 13.1290 13.1829 13.1829 13.4598 13.4598 k = 0.4714 0.2722 0.4913 ( 4744 PWs) bands (ev): -26.6332 -26.6332 -13.5801 -13.5801 -12.9625 -12.9625 -12.1010 -12.1010 -11.5339 -11.5339 -10.9446 -10.9446 -10.8753 -10.8753 -9.2857 -9.2857 -8.2504 -8.2504 -8.1378 -8.1378 -2.7195 -2.7195 -1.3341 -1.3341 0.1023 0.1023 0.7562 0.7562 1.3145 1.3145 1.5168 1.5168 1.6354 1.6354 3.0105 3.0105 3.0476 3.0476 3.6912 3.6912 3.7969 3.7969 4.1600 4.1600 4.3286 4.3286 4.4528 4.4528 4.5247 4.5247 4.8211 4.8211 4.8632 4.8632 4.9036 4.9036 10.5760 10.5760 11.4637 11.4637 13.0531 13.0531 13.1528 13.1528 13.1995 13.1995 13.4173 13.4173 k = 0.4857 0.2804 0.4913 ( 4744 PWs) bands (ev): -26.6332 -26.6332 -13.5701 -13.5701 -12.9743 -12.9743 -12.1014 -12.1014 -11.5332 -11.5332 -10.9454 -10.9454 -10.8761 -10.8761 -9.2851 -9.2851 -8.2502 -8.2502 -8.1370 -8.1370 -2.7043 -2.7043 -1.3487 -1.3487 0.1049 0.1049 0.7587 0.7587 1.3166 1.3166 1.5196 1.5196 1.6243 1.6243 3.0185 3.0185 3.0442 3.0442 3.6843 3.6843 3.7949 3.7949 4.1612 4.1612 4.3277 4.3277 4.4683 4.4683 4.5124 4.5124 4.8238 4.8238 4.8628 4.8628 4.9048 4.9048 10.5868 10.5868 11.4538 11.4538 13.0552 13.0552 13.1663 13.1663 13.2205 13.2205 13.3824 13.3824 k = 0.5000 0.2887 0.4913 ( 4744 PWs) bands (ev): -26.6332 -26.6332 -13.5667 -13.5667 -12.9784 -12.9784 -12.1015 -12.1015 -11.5330 -11.5330 -10.9457 -10.9457 -10.8763 -10.8763 -9.2850 -9.2850 -8.2501 -8.2501 -8.1367 -8.1367 -2.6992 -2.6992 -1.3537 -1.3537 0.1057 0.1057 0.7596 0.7596 1.3173 1.3173 1.5206 1.5206 1.6206 1.6206 3.0202 3.0202 3.0440 3.0440 3.6819 3.6819 3.7943 3.7943 4.1616 4.1616 4.3273 4.3273 4.4762 4.4762 4.5055 4.5055 4.8247 4.8247 4.8627 4.8627 4.9051 4.9051 10.5905 10.5905 11.4505 11.4505 13.0557 13.0557 13.1701 13.1701 13.2318 13.2318 13.3672 13.3672 k = 0.5000 0.2887 0.4913 ( 4744 PWs) bands (ev): -26.6332 -26.6332 -13.5667 -13.5667 -12.9784 -12.9784 -12.1015 -12.1015 -11.5330 -11.5330 -10.9457 -10.9457 -10.8763 -10.8763 -9.2850 -9.2850 -8.2501 -8.2501 -8.1367 -8.1367 -2.6992 -2.6992 -1.3537 -1.3537 0.1057 0.1057 0.7596 0.7596 1.3173 1.3173 1.5206 1.5206 1.6206 1.6206 3.0202 3.0202 3.0440 3.0440 3.6819 3.6819 3.7943 3.7943 4.1616 4.1616 4.3273 4.3273 4.4762 4.4762 4.5055 4.5055 4.8247 4.8247 4.8627 4.8627 4.9051 4.9051 10.5905 10.5905 11.4505 11.4505 13.0557 13.0557 13.1701 13.1701 13.2318 13.2318 13.3672 13.3672 k = 0.4917 0.3031 0.4913 ( 4744 PWs) bands (ev): -26.6332 -26.6332 -13.5658 -13.5658 -12.9789 -12.9789 -12.1024 -12.1024 -11.5325 -11.5325 -10.9521 -10.9521 -10.8702 -10.8702 -9.2849 -9.2849 -8.2499 -8.2499 -8.1368 -8.1368 -2.6974 -2.6974 -1.3558 -1.3558 0.1070 0.1070 0.7585 0.7585 1.3190 1.3190 1.5156 1.5156 1.6263 1.6263 3.0162 3.0162 3.0405 3.0405 3.6845 3.6845 3.7974 3.7974 4.1623 4.1623 4.3264 4.3264 4.4763 4.4763 4.5058 4.5058 4.8252 4.8252 4.8590 4.8590 4.9086 4.9086 10.5916 10.5916 11.4493 11.4493 13.0563 13.0563 13.1505 13.1505 13.2496 13.2496 13.3665 13.3665 k = 0.4833 0.3175 0.4913 ( 4752 PWs) bands (ev): -26.6332 -26.6332 -13.5634 -13.5634 -12.9803 -12.9803 -12.1049 -12.1049 -11.5309 -11.5309 -10.9674 -10.9674 -10.8560 -10.8560 -9.2845 -9.2845 -8.2493 -8.2493 -8.1372 -8.1372 -2.6923 -2.6923 -1.3622 -1.3622 0.1109 0.1109 0.7554 0.7554 1.3240 1.3240 1.5031 1.5031 1.6409 1.6409 3.0036 3.0036 3.0309 3.0309 3.6920 3.6920 3.8062 3.8062 4.1645 4.1645 4.3236 4.3236 4.4764 4.4764 4.5067 4.5067 4.8264 4.8264 4.8505 4.8505 4.9166 4.9166 10.5951 10.5951 11.4459 11.4459 13.0575 13.0575 13.1154 13.1154 13.2795 13.2795 13.3648 13.3648 k = 0.4750 0.3320 0.4913 ( 4754 PWs) bands (ev): -26.6332 -26.6332 -13.5592 -13.5592 -12.9826 -12.9826 -12.1091 -12.1091 -11.5283 -11.5283 -10.9864 -10.9864 -10.8387 -10.8387 -9.2840 -9.2840 -8.2483 -8.2483 -8.1378 -8.1378 -2.6836 -2.6836 -1.3728 -1.3728 0.1172 0.1172 0.7504 0.7504 1.3317 1.3317 1.4875 1.4875 1.6605 1.6605 2.9818 2.9818 3.0169 3.0169 3.7041 3.7041 3.8201 3.8201 4.1681 4.1681 4.3191 4.3191 4.4766 4.4766 4.5083 4.5083 4.8281 4.8281 4.8402 4.8402 4.9263 4.9263 10.6010 10.6010 11.4401 11.4401 13.0539 13.0539 13.0834 13.0834 13.3064 13.3064 13.3638 13.3638 k = 0.4667 0.3464 0.4913 ( 4754 PWs) bands (ev): -26.6332 -26.6332 -13.5535 -13.5535 -12.9860 -12.9860 -12.1148 -12.1148 -11.5246 -11.5246 -11.0070 -11.0070 -10.8206 -10.8206 -9.2832 -9.2832 -8.2470 -8.2470 -8.1387 -8.1387 -2.6716 -2.6716 -1.3875 -1.3875 0.1261 0.1261 0.7435 0.7435 1.3407 1.3407 1.4722 1.4722 1.6829 1.6829 2.9513 2.9513 2.9999 2.9999 3.7203 3.7203 3.8380 3.8380 4.1729 4.1729 4.3130 4.3130 4.4770 4.4770 4.5103 4.5103 4.8256 4.8256 4.8337 4.8337 4.9366 4.9366 10.6091 10.6091 11.4321 11.4321 13.0261 13.0261 13.0767 13.0767 13.3214 13.3214 13.3696 13.3696 k = 0.4583 0.3608 0.4913 ( 4742 PWs) bands (ev): -26.6332 -26.6332 -13.5461 -13.5461 -12.9904 -12.9904 -12.1219 -12.1219 -11.5199 -11.5199 -11.0284 -11.0284 -10.8025 -10.8025 -9.2823 -9.2823 -8.2452 -8.2452 -8.1398 -8.1398 -2.6561 -2.6561 -1.4062 -1.4062 0.1374 0.1374 0.7351 0.7351 1.3488 1.3488 1.4601 1.4601 1.7070 1.7070 2.9135 2.9135 2.9802 2.9802 3.7398 3.7398 3.8589 3.8589 4.1788 4.1788 4.3054 4.3054 4.4775 4.4775 4.5129 4.5129 4.8151 4.8151 4.8355 4.8355 4.9468 4.9468 10.6196 10.6196 11.4218 11.4218 12.9883 12.9883 13.0824 13.0824 13.3199 13.3199 13.3858 13.3858 k = 0.4500 0.3753 0.4913 ( 4738 PWs) bands (ev): -26.6332 -26.6332 -13.5370 -13.5370 -12.9960 -12.9960 -12.1301 -12.1301 -11.5142 -11.5142 -11.0501 -11.0501 -10.7848 -10.7848 -9.2812 -9.2812 -8.2431 -8.2431 -8.1411 -8.1411 -2.6373 -2.6373 -1.4288 -1.4288 0.1509 0.1509 0.7254 0.7254 1.3521 1.3521 1.4555 1.4555 1.7323 1.7323 2.8698 2.8698 2.9584 2.9584 3.7621 3.7621 3.8817 3.8817 4.1857 4.1857 4.2965 4.2965 4.4783 4.4783 4.5158 4.5158 4.8037 4.8037 4.8383 4.8383 4.9566 4.9566 10.6323 10.6323 11.4093 11.4093 12.9504 12.9504 13.0911 13.0911 13.3089 13.3089 13.4046 13.4046 k = 0.4417 0.3897 0.4913 ( 4734 PWs) bands (ev): -26.6332 -26.6332 -13.5264 -13.5264 -13.0029 -13.0029 -12.1392 -12.1392 -11.5075 -11.5075 -11.0720 -11.0720 -10.7678 -10.7678 -9.2800 -9.2800 -8.2407 -8.2407 -8.1426 -8.1426 -2.6151 -2.6151 -1.4551 -1.4551 0.1667 0.1667 0.7144 0.7144 1.3474 1.3474 1.4613 1.4613 1.7587 1.7587 2.8214 2.8214 2.9348 2.9348 3.7865 3.7865 3.9054 3.9054 4.1932 4.1932 4.2866 4.2866 4.4794 4.4794 4.5190 4.5190 4.7927 4.7927 4.8409 4.8409 4.9660 4.9660 10.6473 10.6473 11.3946 11.3946 12.9144 12.9144 13.1016 13.1016 13.2927 13.2927 13.4214 13.4214 k = 0.4333 0.4041 0.4913 ( 4730 PWs) bands (ev): -26.6332 -26.6332 -13.5141 -13.5141 -13.0111 -13.0111 -12.1491 -12.1491 -11.4998 -11.4998 -11.0939 -11.0939 -10.7517 -10.7517 -9.2786 -9.2786 -8.2381 -8.2381 -8.1443 -8.1443 -2.5896 -2.5896 -1.4849 -1.4849 0.1845 0.1845 0.7024 0.7024 1.3356 1.3356 1.4764 1.4764 1.7860 1.7860 2.7694 2.7694 2.9100 2.9100 3.8125 3.8125 3.9294 3.9294 4.2012 4.2012 4.2758 4.2758 4.4808 4.4808 4.5222 4.5222 4.7825 4.7825 4.8430 4.8430 4.9748 4.9748 10.6645 10.6645 11.3777 11.3777 12.8809 12.8809 13.1135 13.1135 13.2728 13.2728 13.4348 13.4348 k = 0.4250 0.4186 0.4913 ( 4736 PWs) bands (ev): -26.6332 -26.6332 -13.5003 -13.5003 -13.0209 -13.0209 -12.1593 -12.1593 -11.4911 -11.4911 -11.1157 -11.1157 -10.7366 -10.7366 -9.2773 -9.2773 -8.2352 -8.2352 -8.1462 -8.1462 -2.5608 -2.5608 -1.5182 -1.5182 0.2043 0.2043 0.6895 0.6895 1.3198 1.3198 1.4977 1.4977 1.8142 1.8142 2.7146 2.7146 2.8844 2.8844 3.8396 3.8396 3.9530 3.9530 4.2093 4.2093 4.2643 4.2643 4.4825 4.4825 4.5255 4.5255 4.7734 4.7734 4.8443 4.8443 4.9830 4.9830 10.6840 10.6840 11.3586 11.3586 12.8507 12.8507 13.1261 13.1261 13.2502 13.2502 13.4444 13.4444 k = 0.4167 0.4330 0.4913 ( 4744 PWs) bands (ev): -26.6332 -26.6332 -13.4848 -13.4848 -13.0322 -13.0322 -12.1697 -12.1697 -11.4815 -11.4815 -11.1374 -11.1374 -10.7226 -10.7226 -9.2759 -9.2759 -8.2321 -8.2321 -8.1482 -8.1482 -2.5289 -2.5289 -1.5546 -1.5546 0.2257 0.2257 0.6758 0.6758 1.3022 1.3022 1.5227 1.5227 1.8431 1.8431 2.6578 2.6578 2.8586 2.8586 3.8673 3.8673 3.9758 3.9758 4.2172 4.2172 4.2524 4.2524 4.4847 4.4847 4.5284 4.5284 4.7657 4.7657 4.8444 4.8444 4.9905 4.9905 10.7056 10.7056 11.3374 11.3374 12.8242 12.8242 13.1378 13.1378 13.2267 13.2267 13.4502 13.4502 k = 0.4083 0.4474 0.4913 ( 4744 PWs) bands (ev): -26.6332 -26.6332 -13.4678 -13.4678 -13.0453 -13.0453 -12.1799 -12.1799 -11.4710 -11.4710 -11.1589 -11.1589 -10.7097 -10.7097 -9.2745 -9.2745 -8.2288 -8.2288 -8.1503 -8.1503 -2.4939 -2.4939 -1.5940 -1.5940 0.2486 0.2486 0.6614 0.6614 1.2842 1.2842 1.5498 1.5498 1.8728 1.8728 2.5998 2.5998 2.8328 2.8328 3.8953 3.8953 3.9973 3.9973 4.2242 4.2242 4.2406 4.2406 4.4873 4.4873 4.5309 4.5309 4.7596 4.7596 4.8433 4.8433 4.9973 4.9973 10.7292 10.7292 11.3141 11.3141 12.8020 12.8020 13.1433 13.1433 13.2082 13.2082 13.4524 13.4524 k = 0.4000 0.4619 0.4913 ( 4744 PWs) bands (ev): -26.6332 -26.6332 -13.4493 -13.4493 -13.0602 -13.0602 -12.1897 -12.1897 -11.4595 -11.4595 -11.1801 -11.1801 -10.6982 -10.6982 -9.2731 -9.2731 -8.2255 -8.2255 -8.1524 -8.1524 -2.4558 -2.4558 -1.6362 -1.6362 0.2728 0.2728 0.6462 0.6462 1.2665 1.2665 1.5782 1.5782 1.9032 1.9032 2.5413 2.5413 2.8076 2.8076 3.9232 3.9232 4.0172 4.0172 4.2239 4.2239 4.2351 4.2351 4.4903 4.4903 4.5328 4.5328 4.7555 4.7555 4.8408 4.8408 5.0033 5.0033 10.7550 10.7550 11.2889 11.2889 12.7843 12.7843 13.1316 13.1316 13.2059 13.2059 13.4513 13.4513 k = 0.3917 0.4763 0.4913 ( 4750 PWs) bands (ev): -26.6332 -26.6332 -13.4293 -13.4293 -13.0770 -13.0770 -12.1988 -12.1988 -11.4473 -11.4473 -11.2011 -11.2011 -10.6879 -10.6879 -9.2718 -9.2718 -8.2222 -8.2222 -8.1546 -8.1546 -2.4148 -2.4148 -1.6810 -1.6810 0.2980 0.2980 0.6303 0.6303 1.2495 1.2495 1.6069 1.6069 1.9341 1.9341 2.4827 2.4827 2.7832 2.7832 3.9508 3.9508 4.0353 4.0353 4.2123 4.2123 4.2397 4.2397 4.4938 4.4938 4.5338 4.5338 4.7534 4.7534 4.8368 4.8368 5.0087 5.0087 10.7826 10.7826 11.2617 11.2617 12.7715 12.7715 13.1051 13.1051 13.2181 13.2181 13.4473 13.4473 k = 0.3833 0.4907 0.4913 ( 4752 PWs) bands (ev): -26.6332 -26.6332 -13.4078 -13.4078 -13.0957 -13.0957 -12.2071 -12.2071 -11.4342 -11.4342 -11.2216 -11.2216 -10.6790 -10.6790 -9.2706 -9.2706 -8.2190 -8.2190 -8.1567 -8.1567 -2.3709 -2.3709 -1.7282 -1.7282 0.3237 0.3237 0.6138 0.6138 1.2338 1.2338 1.6354 1.6354 1.9654 1.9654 2.4250 2.4250 2.7603 2.7603 3.9777 3.9777 4.0514 4.0514 4.1991 4.1991 4.2446 4.2446 4.4977 4.4977 4.5341 4.5341 4.7534 4.7534 4.8315 4.8315 5.0133 5.0133 10.8122 10.8122 11.2327 11.2327 12.7638 12.7638 13.0731 13.0731 13.2360 13.2360 13.4408 13.4408 k = 0.3750 0.5052 0.4913 ( 4752 PWs) bands (ev): -26.6332 -26.6332 -13.3848 -13.3848 -13.1163 -13.1163 -12.2143 -12.2143 -11.4204 -11.4204 -11.2418 -11.2418 -10.6715 -10.6715 -9.2696 -9.2696 -8.2160 -8.2160 -8.1587 -8.1587 -2.3244 -2.3244 -1.7777 -1.7777 0.3497 0.3497 0.5966 0.5966 1.2197 1.2197 1.6629 1.6629 1.9969 1.9969 2.3689 2.3689 2.7391 2.7391 4.0037 4.0037 4.0653 4.0653 4.1855 4.1855 4.2486 4.2486 4.5019 4.5019 4.5336 4.5336 4.7554 4.7554 4.8249 4.8249 5.0171 5.0171 10.8435 10.8435 11.2018 11.2018 12.7612 12.7612 13.0393 13.0393 13.2560 13.2560 13.4321 13.4321 k = 0.3667 0.5196 0.4913 ( 4752 PWs) bands (ev): -26.6332 -26.6332 -13.3605 -13.3605 -13.1389 -13.1389 -12.2203 -12.2203 -11.4059 -11.4059 -11.2614 -11.2614 -10.6654 -10.6654 -9.2687 -9.2687 -8.2132 -8.2132 -8.1606 -8.1606 -2.2752 -2.2752 -1.8293 -1.8293 0.3755 0.3755 0.5790 0.5790 1.2075 1.2075 1.6886 1.6886 2.0280 2.0280 2.3154 2.3154 2.7202 2.7202 4.0285 4.0285 4.0771 4.0771 4.1715 4.1715 4.2513 4.2513 4.5062 4.5062 4.5325 4.5325 4.7591 4.7591 4.8173 4.8173 5.0203 5.0203 10.8766 10.8766 11.1692 11.1692 12.7637 12.7637 13.0055 13.0055 13.2769 13.2769 13.4219 13.4219 k = 0.3583 0.5340 0.4913 ( 4760 PWs) bands (ev): -26.6332 -26.6332 -13.3348 -13.3348 -13.1634 -13.1634 -12.2250 -12.2250 -11.3908 -11.3908 -11.2804 -11.2804 -10.6606 -10.6606 -9.2679 -9.2679 -8.2109 -8.2109 -8.1621 -8.1621 -2.2235 -2.2235 -1.8828 -1.8828 0.4002 0.4002 0.5612 0.5612 1.1975 1.1975 1.7113 1.7113 2.0583 2.0583 2.2659 2.2659 2.7043 2.7043 4.0516 4.0516 4.0868 4.0868 4.1571 4.1571 4.2529 4.2529 4.5104 4.5104 4.5311 4.5311 4.7643 4.7643 4.8090 4.8090 5.0227 5.0227 10.9112 10.9112 11.1350 11.1350 12.7709 12.7709 12.9732 12.9732 13.2975 13.2975 13.4106 13.4106 k = 0.3500 0.5485 0.4913 ( 4764 PWs) bands (ev): -26.6332 -26.6332 -13.3079 -13.3079 -13.1895 -13.1895 -12.2284 -12.2284 -11.3755 -11.3755 -11.2985 -11.2985 -10.6573 -10.6573 -9.2674 -9.2674 -8.2092 -8.2092 -8.1633 -8.1633 -2.1696 -2.1696 -1.9380 -1.9380 0.4227 0.4227 0.5441 0.5441 1.1900 1.1900 1.7298 1.7298 2.0867 2.0867 2.2223 2.2223 2.6919 2.6919 4.0725 4.0725 4.0945 4.0945 4.1422 4.1422 4.2535 4.2535 4.5140 4.5140 4.5297 4.5297 4.7703 4.7703 4.8005 4.8005 5.0244 5.0244 10.9472 10.9472 11.0992 11.0992 12.7816 12.7816 12.9441 12.9441 13.3165 13.3165 13.3992 13.3992 k = 0.3417 0.5629 0.4913 ( 4756 PWs) bands (ev): -26.6331 -26.6331 -13.2803 -13.2803 -13.2166 -13.2166 -12.2304 -12.2304 -11.3611 -11.3611 -11.3147 -11.3147 -10.6553 -10.6553 -9.2670 -9.2670 -8.2081 -8.2081 -8.1640 -8.1640 -2.1138 -2.1138 -1.9945 -1.9945 0.4403 0.4403 0.5299 0.5299 1.1854 1.1854 1.7421 1.7421 2.1106 2.1106 2.1883 2.1883 2.6839 2.6839 4.0901 4.0901 4.1007 4.1007 4.1272 4.1272 4.2534 4.2534 4.5165 4.5165 4.5288 4.5288 4.7768 4.7768 4.7925 4.7925 5.0254 5.0254 10.9847 10.9847 11.0620 11.0620 12.7929 12.7929 12.9215 12.9215 13.3312 13.3312 13.3897 13.3897 k = 0.3333 0.5774 0.4913 ( 4752 PWs) bands (ev): -26.6331 -26.6331 -13.2596 -13.2596 -13.2372 -13.2372 -12.2310 -12.2310 -11.3530 -11.3530 -11.3233 -11.3233 -10.6547 -10.6547 -9.2669 -9.2669 -8.2077 -8.2077 -8.1642 -8.1642 -2.0661 -2.0661 -2.0425 -2.0425 0.4477 0.4477 0.5238 0.5238 1.1838 1.1838 1.7466 1.7466 2.1213 2.1213 2.1740 2.1740 2.6811 2.6811 4.0997 4.0997 4.1039 4.1039 4.1173 4.1173 4.2533 4.2533 4.5173 4.5173 4.5286 4.5286 4.7813 4.7813 4.7875 4.7875 5.0257 5.0257 11.0219 11.0219 11.0248 11.0248 12.7985 12.7985 12.9121 12.9121 13.3371 13.3371 13.3858 13.3858 k = 0.3333 0.5774 0.4913 ( 4752 PWs) bands (ev): -26.6331 -26.6331 -13.2596 -13.2596 -13.2372 -13.2372 -12.2310 -12.2310 -11.3530 -11.3530 -11.3233 -11.3233 -10.6547 -10.6547 -9.2669 -9.2669 -8.2077 -8.2077 -8.1642 -8.1642 -2.0661 -2.0661 -2.0425 -2.0425 0.4477 0.4477 0.5238 0.5238 1.1838 1.1838 1.7466 1.7466 2.1213 2.1213 2.1740 2.1740 2.6811 2.6811 4.0997 4.0997 4.1039 4.1039 4.1173 4.1173 4.2533 4.2533 4.5173 4.5173 4.5286 4.5286 4.7813 4.7813 4.7875 4.7875 5.0257 5.0257 11.0219 11.0219 11.0248 11.0248 12.7985 12.7985 12.9121 12.9121 13.3371 13.3371 13.3858 13.3858 k = 0.3250 0.5629 0.4913 ( 4760 PWs) bands (ev): -26.6331 -26.6331 -13.2815 -13.2815 -13.2154 -13.2154 -12.2304 -12.2304 -11.3611 -11.3611 -11.3147 -11.3147 -10.6553 -10.6553 -9.2670 -9.2670 -8.2081 -8.2081 -8.1640 -8.1640 -2.1155 -2.1155 -1.9928 -1.9928 0.4404 0.4404 0.5297 0.5297 1.1855 1.1855 1.7418 1.7418 2.1150 2.1150 2.1841 2.1841 2.6842 2.6842 4.0875 4.0875 4.1064 4.1064 4.1238 4.1238 4.2537 4.2537 4.5167 4.5167 4.5285 4.5285 4.7775 4.7775 4.7918 4.7918 5.0254 5.0254 10.9835 10.9835 11.0632 11.0632 12.7919 12.7919 12.9224 12.9224 13.3320 13.3320 13.3885 13.3885 k = 0.3167 0.5485 0.4913 ( 4764 PWs) bands (ev): -26.6332 -26.6332 -13.3130 -13.3130 -13.1840 -13.1840 -12.2285 -12.2285 -11.3756 -11.3756 -11.2985 -11.2985 -10.6572 -10.6572 -9.2674 -9.2674 -8.2091 -8.2091 -8.1635 -8.1635 -2.1763 -2.1763 -1.9314 -1.9314 0.4232 0.4232 0.5430 0.5430 1.1903 1.1903 1.7276 1.7276 2.1085 2.1085 2.2012 2.2012 2.6938 2.6938 4.0684 4.0684 4.1087 4.1087 4.1306 4.1306 4.2553 4.2553 4.5153 4.5153 4.5277 4.5277 4.7737 4.7737 4.7976 4.7976 5.0244 5.0244 10.9425 10.9425 11.1039 11.1039 12.7760 12.7760 12.9498 12.9498 13.3210 13.3210 13.3923 13.3923 k = 0.3083 0.5340 0.4913 ( 4760 PWs) bands (ev): -26.6332 -26.6332 -13.3462 -13.3462 -13.1509 -13.1509 -12.2255 -12.2255 -11.3910 -11.3910 -11.2805 -11.2805 -10.6601 -10.6601 -9.2680 -9.2680 -8.2107 -8.2107 -8.1627 -8.1627 -2.2387 -2.2387 -1.8680 -1.8680 0.4012 0.4012 0.5581 0.5581 1.1982 1.1982 1.7052 1.7052 2.1079 2.1079 2.2177 2.2177 2.7103 2.7103 4.0471 4.0471 4.1103 4.1103 4.1334 4.1334 4.2584 4.2584 4.5134 4.5134 4.5258 4.5258 4.7718 4.7718 4.8029 4.8029 5.0228 5.0228 10.9004 10.9004 11.1456 11.1456 12.7564 12.7564 12.9882 12.9882 13.3079 13.3079 13.3928 13.3928 k = 0.3000 0.5196 0.4913 ( 4764 PWs) bands (ev): -26.6332 -26.6332 -13.3804 -13.3804 -13.1166 -13.1166 -12.2215 -12.2215 -11.4062 -11.4062 -11.2615 -11.2615 -10.6641 -10.6641 -9.2689 -9.2689 -8.2127 -8.2127 -8.1618 -8.1618 -2.3023 -2.3023 -1.8031 -1.8031 0.3767 0.3767 0.5730 0.5730 1.2089 1.2089 1.6769 1.6769 2.1126 2.1126 2.2323 2.2323 2.7336 2.7336 4.0240 4.0240 4.1115 4.1115 4.1320 4.1320 4.2630 4.2630 4.5109 4.5109 4.5227 4.5227 4.7722 4.7722 4.8070 4.8070 5.0205 5.0205 10.8573 10.8573 11.1879 11.1879 12.7365 12.7365 13.0338 13.0338 13.2948 13.2948 13.3887 13.3887 k = 0.2917 0.5052 0.4913 ( 4770 PWs) bands (ev): -26.6332 -26.6332 -13.4155 -13.4155 -13.0811 -13.0811 -12.2165 -12.2165 -11.4211 -11.4211 -11.2420 -11.2420 -10.6691 -10.6691 -9.2701 -9.2701 -8.2151 -8.2151 -8.1611 -8.1611 -2.3670 -2.3670 -1.7369 -1.7369 0.3508 0.3508 0.5869 0.5869 1.2220 1.2220 1.6449 1.6449 2.1205 2.1205 2.2451 2.2451 2.7634 2.7634 3.9993 3.9993 4.1124 4.1124 4.1271 4.1271 4.2682 4.2682 4.5075 4.5075 4.5193 4.5193 4.7748 4.7748 4.8100 4.8100 5.0175 5.0175 10.8133 10.8133 11.2310 11.2310 12.7176 12.7176 13.0843 13.0843 13.2830 13.2830 13.3800 13.3800 k = 0.2833 0.4907 0.4913 ( 4762 PWs) bands (ev): -26.6332 -26.6332 -13.4511 -13.4511 -13.0447 -13.0447 -12.2108 -12.2108 -11.4353 -11.4353 -11.2221 -11.2221 -10.6748 -10.6748 -9.2715 -9.2715 -8.2177 -8.2177 -8.1605 -8.1605 -2.4326 -2.4326 -1.6697 -1.6697 0.3239 0.3239 0.5996 0.5996 1.2370 1.2370 1.6111 1.6111 2.1297 2.1297 2.2569 2.2569 2.7989 2.7989 3.9732 3.9732 4.1124 4.1124 4.1206 4.1206 4.2734 4.2734 4.5024 4.5024 4.5163 4.5163 4.7794 4.7794 4.8115 4.8115 5.0139 5.0139 10.7685 10.7685 11.2744 11.2744 12.7004 12.7004 13.1361 13.1361 13.2754 13.2754 13.3676 13.3676 k = 0.2750 0.4763 0.4913 ( 4758 PWs) bands (ev): -26.6332 -26.6332 -13.4872 -13.4872 -13.0073 -13.0073 -12.2043 -12.2043 -11.4490 -11.4490 -11.2019 -11.2019 -10.6814 -10.6814 -9.2732 -9.2732 -8.2205 -8.2205 -8.1601 -8.1601 -2.4990 -2.4990 -1.6015 -1.6015 0.2963 0.2963 0.6112 0.6112 1.2531 1.2531 1.5768 1.5768 2.1389 2.1389 2.2686 2.2686 2.8393 2.8393 3.9460 3.9460 4.1060 4.1060 4.1186 4.1186 4.2777 4.2777 4.4957 4.4957 4.5142 4.5142 4.7856 4.7856 4.8115 4.8115 5.0095 5.0095 10.7230 10.7230 11.3183 11.3183 12.6849 12.6849 13.1799 13.1799 13.2806 13.2806 13.3527 13.3527 k = 0.2667 0.4619 0.4913 ( 4762 PWs) bands (ev): -26.6332 -26.6332 -13.5235 -13.5235 -12.9690 -12.9690 -12.1972 -12.1972 -11.4622 -11.4622 -11.1815 -11.1815 -10.6885 -10.6885 -9.2751 -9.2751 -8.2234 -8.2234 -8.1602 -8.1602 -2.5661 -2.5661 -1.5327 -1.5327 0.2685 0.2685 0.6219 0.6219 1.2695 1.2695 1.5428 1.5428 2.1468 2.1468 2.2813 2.2813 2.8840 2.8840 3.9183 3.9183 4.0946 4.0946 4.1206 4.1206 4.2807 4.2807 4.4878 4.4878 4.5128 4.5128 4.7927 4.7927 4.8101 4.8101 5.0044 5.0044 10.6768 10.6768 11.3623 11.3623 12.6713 12.6713 13.1985 13.1985 13.3098 13.3098 13.3415 13.3415 k = 0.2583 0.4474 0.4913 ( 4766 PWs) bands (ev): -26.6332 -26.6332 -13.5598 -13.5598 -12.9300 -12.9300 -12.1896 -12.1896 -11.4747 -11.4747 -11.1609 -11.1609 -10.6961 -10.6961 -9.2774 -9.2774 -8.2265 -8.2265 -8.1606 -8.1606 -2.6337 -2.6337 -1.4634 -1.4634 0.2405 0.2405 0.6320 0.6320 1.2854 1.2854 1.5098 1.5098 2.1525 2.1525 2.2958 2.2958 2.9322 2.9322 3.8906 3.8906 4.0816 4.0816 4.1239 4.1239 4.2818 4.2818 4.4794 4.4794 4.5120 4.5120 4.7994 4.7994 4.8083 4.8083 4.9986 4.9986 10.6300 10.6300 11.4065 11.4065 12.6595 12.6595 13.1972 13.1972 13.3080 13.3080 13.3837 13.3837 k = 0.2500 0.4330 0.4913 ( 4770 PWs) bands (ev): -26.6332 -26.6332 -13.5962 -13.5962 -12.8903 -12.8903 -12.1816 -12.1816 -11.4867 -11.4867 -11.1403 -11.1403 -10.7040 -10.7040 -9.2799 -9.2799 -8.2295 -8.2295 -8.1614 -8.1614 -2.7019 -2.7019 -1.3938 -1.3938 0.2127 0.2127 0.6417 0.6417 1.2999 1.2999 1.4783 1.4783 2.1552 2.1552 2.3132 2.3132 2.9832 2.9832 3.8635 3.8635 4.0674 4.0674 4.1281 4.1281 4.2809 4.2809 4.4706 4.4706 4.5116 4.5116 4.7990 4.7990 4.8125 4.8125 4.9921 4.9921 10.5826 10.5826 11.4505 11.4505 12.6493 12.6493 13.1895 13.1895 13.2878 13.2878 13.4536 13.4536 k = 0.2417 0.4186 0.4913 ( 4774 PWs) bands (ev): -26.6333 -26.6333 -13.6323 -13.6323 -12.8501 -12.8501 -12.1734 -12.1734 -11.4981 -11.4981 -11.1196 -11.1196 -10.7121 -10.7121 -9.2827 -9.2827 -8.2326 -8.2326 -8.1627 -8.1627 -2.7704 -2.7704 -1.3240 -1.3240 0.1854 0.1854 0.6513 0.6513 1.3122 1.3122 1.4487 1.4487 2.1542 2.1542 2.3341 2.3341 3.0364 3.0364 3.8375 3.8375 4.0526 4.0526 4.1332 4.1332 4.2778 4.2778 4.4617 4.4617 4.5114 4.5114 4.7928 4.7928 4.8210 4.8210 4.9849 4.9849 10.5347 10.5347 11.4944 11.4944 12.6403 12.6403 13.1801 13.1801 13.2653 13.2653 13.5299 13.5299 k = 0.2333 0.4041 0.4913 ( 4766 PWs) bands (ev): -26.6333 -26.6333 -13.6681 -13.6681 -12.8093 -12.8093 -12.1649 -12.1649 -11.5090 -11.5090 -11.0990 -11.0990 -10.7203 -10.7203 -9.2858 -9.2858 -8.2357 -8.2357 -8.1645 -8.1645 -2.8391 -2.8391 -1.2541 -1.2541 0.1588 0.1588 0.6609 0.6609 1.3210 1.3210 1.4218 1.4218 2.1489 2.1489 2.3593 2.3593 3.0915 3.0915 3.8132 3.8132 4.0373 4.0373 4.1392 4.1392 4.2724 4.2724 4.4528 4.4528 4.5115 4.5115 4.7843 4.7843 4.8301 4.8301 4.9770 4.9770 10.4863 10.4863 11.5379 11.5379 12.6324 12.6324 13.1704 13.1704 13.2420 13.2420 13.6091 13.6091 k = 0.2250 0.3897 0.4913 ( 4766 PWs) bands (ev): -26.6333 -26.6333 -13.7034 -13.7034 -12.7681 -12.7681 -12.1563 -12.1563 -11.5194 -11.5194 -11.0785 -11.0785 -10.7285 -10.7285 -9.2892 -9.2892 -8.2388 -8.2388 -8.1668 -8.1668 -2.9079 -2.9079 -1.1845 -1.1845 0.1330 0.1330 0.6709 0.6709 1.3246 1.3246 1.3990 1.3990 2.1389 2.1389 2.3890 2.3890 3.1480 3.1480 3.7913 3.7913 4.0216 4.0216 4.1462 4.1462 4.2648 4.2648 4.4441 4.4441 4.5117 4.5117 4.7739 4.7739 4.8392 4.8392 4.9687 4.9687 10.4374 10.4374 11.5810 11.5810 12.6251 12.6251 13.1609 13.1609 13.2184 13.2184 13.6854 13.6854 k = 0.2167 0.3753 0.4913 ( 4766 PWs) bands (ev): -26.6333 -26.6333 -13.7382 -13.7382 -12.7266 -12.7266 -12.1476 -12.1476 -11.5295 -11.5295 -11.0582 -11.0582 -10.7364 -10.7364 -9.2928 -9.2928 -8.2419 -8.2419 -8.1696 -8.1696 -2.9767 -2.9767 -1.1152 -1.1152 0.1084 0.1084 0.6813 0.6813 1.3207 1.3207 1.3825 1.3825 2.1238 2.1238 2.4235 2.4235 3.2056 3.2056 3.7722 3.7722 4.0057 4.0057 4.1540 4.1540 4.2551 4.2551 4.4355 4.4355 4.5119 4.5119 4.7617 4.7617 4.8481 4.8481 4.9599 4.9599 10.3881 10.3881 11.6234 11.6234 12.6179 12.6179 13.1515 13.1515 13.1953 13.1953 13.7237 13.7237 k = 0.2083 0.3608 0.4913 ( 4760 PWs) bands (ev): -26.6334 -26.6334 -13.7724 -13.7724 -12.6849 -12.6849 -12.1388 -12.1388 -11.5391 -11.5391 -11.0381 -11.0381 -10.7440 -10.7440 -9.2967 -9.2967 -8.2449 -8.2449 -8.1728 -8.1728 -3.0452 -3.0452 -1.0463 -1.0463 0.0852 0.0852 0.6922 0.6922 1.3083 1.3083 1.3730 1.3730 2.1036 2.1036 2.4628 2.4628 3.2637 3.2637 3.7562 3.7562 3.9897 3.9897 4.1626 4.1626 4.2434 4.2434 4.4271 4.4271 4.5117 4.5117 4.7477 4.7477 4.8566 4.8566 4.9509 4.9509 10.3384 10.3384 11.6650 11.6650 12.6103 12.6103 13.1419 13.1419 13.1736 13.1736 13.7101 13.7101 k = 0.2000 0.3464 0.4913 ( 4768 PWs) bands (ev): -26.6334 -26.6334 -13.8058 -13.8058 -12.6432 -12.6432 -12.1301 -12.1301 -11.5486 -11.5486 -11.0183 -11.0183 -10.7512 -10.7512 -9.3008 -9.3008 -8.2478 -8.2478 -8.1765 -8.1765 -3.1134 -3.1134 -0.9780 -0.9780 0.0636 0.0636 0.7038 0.7038 1.2908 1.2908 1.3673 1.3673 2.0783 2.0783 2.5065 2.5065 3.3222 3.3222 3.7435 3.7435 3.9737 3.9737 4.1719 4.1719 4.2299 4.2299 4.4189 4.4189 4.5112 4.5112 4.7320 4.7320 4.8647 4.8647 4.9419 4.9419 10.2884 10.2884 11.7057 11.7057 12.6017 12.6017 13.1303 13.1303 13.1555 13.1555 13.6825 13.6825 k = 0.1917 0.3320 0.4913 ( 4768 PWs) bands (ev): -26.6334 -26.6334 -13.8383 -13.8383 -12.6015 -12.6015 -12.1215 -12.1215 -11.5577 -11.5577 -10.9988 -10.9988 -10.7578 -10.7578 -9.3051 -9.3051 -8.2507 -8.2507 -8.1807 -8.1807 -3.1810 -3.1810 -0.9105 -0.9105 0.0436 0.0436 0.7160 0.7160 1.2715 1.2715 1.3620 1.3620 2.0480 2.0480 2.5545 2.5545 3.3807 3.3807 3.7343 3.7343 3.9578 3.9578 4.1817 4.1817 4.2149 4.2149 4.4111 4.4111 4.5100 4.5100 4.7146 4.7146 4.8721 4.8721 4.9330 4.9330 10.2380 10.2380 11.7454 11.7454 12.5916 12.5916 13.1150 13.1150 13.1432 13.1432 13.6485 13.6485 k = 0.1833 0.3175 0.4913 ( 4760 PWs) bands (ev): -26.6335 -26.6335 -13.8700 -13.8700 -12.5599 -12.5599 -12.1129 -12.1129 -11.5668 -11.5668 -10.9798 -10.9798 -10.7637 -10.7637 -9.3097 -9.3097 -8.2535 -8.2535 -8.1853 -8.1853 -3.2478 -3.2478 -0.8439 -0.8439 0.0256 0.0256 0.7289 0.7289 1.2521 1.2521 1.3556 1.3556 2.0130 2.0130 2.6064 2.6064 3.4389 3.4389 3.7287 3.7287 3.9421 3.9421 4.1913 4.1913 4.1993 4.1993 4.4036 4.4036 4.5079 4.5079 4.6956 4.6956 4.8789 4.8789 4.9245 4.9245 10.1875 10.1875 11.7840 11.7840 12.5791 12.5791 13.0979 13.0979 13.1355 13.1355 13.6105 13.6105 k = 0.1750 0.3031 0.4913 ( 4756 PWs) bands (ev): -26.6335 -26.6335 -13.9007 -13.9007 -12.5186 -12.5186 -12.1044 -12.1044 -11.5758 -11.5758 -10.9613 -10.9613 -10.7689 -10.7689 -9.3145 -9.3145 -8.2562 -8.2562 -8.1902 -8.1902 -3.3138 -3.3138 -0.7784 -0.7784 0.0096 0.0096 0.7424 0.7424 1.2332 1.2332 1.3478 1.3478 1.9738 1.9738 2.6617 2.6617 3.4964 3.4964 3.7263 3.7263 3.9267 3.9267 4.1805 4.1805 4.2030 4.2030 4.3967 4.3967 4.5048 4.5048 4.6752 4.6752 4.8850 4.8850 4.9166 4.9166 10.1367 10.1367 11.8213 11.8213 12.5639 12.5639 13.0814 13.0814 13.1302 13.1302 13.5702 13.5702 k = 0.1667 0.2887 0.4913 ( 4752 PWs) bands (ev): -26.6335 -26.6335 -13.9304 -13.9304 -12.4778 -12.4778 -12.0960 -12.0960 -11.5848 -11.5848 -10.9433 -10.9433 -10.7733 -10.7733 -9.3195 -9.3195 -8.2589 -8.2589 -8.1954 -8.1954 -3.3786 -3.3786 -0.7139 -0.7139 -0.0043 -0.0043 0.7564 0.7564 1.2152 1.2152 1.3383 1.3383 1.9308 1.9308 2.7199 2.7199 3.5526 3.5526 3.7273 3.7273 3.9118 3.9118 4.1622 4.1622 4.2131 4.2131 4.3906 4.3906 4.5005 4.5005 4.6535 4.6535 4.8902 4.8902 4.9096 4.9096 10.0859 10.0859 11.8571 11.8571 12.5452 12.5452 13.0670 13.0670 13.1264 13.1264 13.5288 13.5288 k = 0.1583 0.2742 0.4913 ( 4752 PWs) bands (ev): -26.6336 -26.6336 -13.9589 -13.9589 -12.4376 -12.4376 -12.0877 -12.0877 -11.5938 -11.5938 -10.9259 -10.9259 -10.7769 -10.7769 -9.3246 -9.3246 -8.2615 -8.2615 -8.2010 -8.2010 -3.4421 -3.4421 -0.6508 -0.6508 -0.0161 -0.0161 0.7710 0.7710 1.1982 1.1982 1.3272 1.3272 1.8844 1.8844 2.7806 2.7806 3.6072 3.6072 3.7312 3.7312 3.8976 3.8976 4.1432 4.1432 4.2227 4.2227 4.3856 4.3856 4.4948 4.4948 4.6307 4.6307 4.8941 4.8941 4.9039 4.9039 10.0351 10.0351 11.8916 11.8916 12.5228 12.5228 13.0553 13.0553 13.1237 13.1237 13.4874 13.4874 k = 0.1500 0.2598 0.4913 ( 4750 PWs) bands (ev): -26.6336 -26.6336 -13.9863 -13.9863 -12.3981 -12.3981 -12.0794 -12.0794 -11.6030 -11.6030 -10.9091 -10.9091 -10.7796 -10.7796 -9.3299 -9.3299 -8.2639 -8.2639 -8.2067 -8.2067 -3.5040 -3.5040 -0.5891 -0.5891 -0.0255 -0.0255 0.7860 0.7860 1.1823 1.1823 1.3148 1.3148 1.8354 1.8354 2.8434 2.8434 3.6590 3.6590 3.7380 3.7380 3.8845 3.8845 4.1238 4.1238 4.2310 4.2310 4.3822 4.3822 4.4876 4.4876 4.6070 4.6070 4.8947 4.8947 4.9018 4.9018 9.9846 9.9846 11.9244 11.9244 12.4966 12.4966 13.0467 13.0467 13.1219 13.1219 13.4469 13.4469 k = 0.1417 0.2454 0.4913 ( 4750 PWs) bands (ev): -26.6336 -26.6336 -14.0124 -14.0124 -12.3595 -12.3595 -12.0712 -12.0712 -11.6123 -11.6123 -10.8930 -10.8930 -10.7814 -10.7814 -9.3353 -9.3353 -8.2663 -8.2663 -8.2126 -8.2126 -3.5642 -3.5642 -0.5289 -0.5289 -0.0328 -0.0328 0.8013 0.8013 1.1676 1.1676 1.3012 1.3012 1.7841 1.7841 2.9078 2.9078 3.7062 3.7062 3.7481 3.7481 3.8736 3.8736 4.1043 4.1043 4.2376 4.2376 4.3808 4.3808 4.4790 4.4790 4.5827 4.5827 4.8916 4.8916 4.9036 4.9036 9.9344 9.9344 11.9557 11.9557 12.4667 12.4667 13.0411 13.0411 13.1211 13.1211 13.4080 13.4080 k = 0.1333 0.2309 0.4913 ( 4746 PWs) bands (ev): -26.6337 -26.6337 -14.0373 -14.0373 -12.3220 -12.3220 -12.0631 -12.0631 -11.6217 -11.6217 -10.8776 -10.8776 -10.7824 -10.7824 -9.3407 -9.3407 -8.2685 -8.2685 -8.2187 -8.2187 -3.6225 -3.6225 -0.4704 -0.4704 -0.0377 -0.0377 0.8167 0.8167 1.1539 1.1539 1.2865 1.2865 1.7314 1.7314 2.9734 2.9734 3.7424 3.7424 3.7645 3.7645 3.8673 3.8673 4.0851 4.0851 4.2416 4.2416 4.3820 4.3820 4.4690 4.4690 4.5581 4.5581 4.8886 4.8886 4.9055 4.9055 9.8848 9.8848 11.9852 11.9852 12.4335 12.4335 13.0385 13.0385 13.1210 13.1210 13.3712 13.3712 k = 0.1250 0.2165 0.4913 ( 4738 PWs) bands (ev): -26.6337 -26.6337 -14.0609 -14.0609 -12.2858 -12.2858 -12.0549 -12.0549 -11.6313 -11.6313 -10.8630 -10.8630 -10.7825 -10.7825 -9.3462 -9.3462 -8.2707 -8.2707 -8.2247 -8.2247 -3.6786 -3.6786 -0.4138 -0.4138 -0.0404 -0.0404 0.8321 0.8321 1.1415 1.1415 1.2709 1.2709 1.6776 1.6776 3.0398 3.0398 3.7611 3.7611 3.7869 3.7869 3.8714 3.8714 4.0667 4.0667 4.2428 4.2428 4.3859 4.3859 4.4576 4.4576 4.5336 4.5336 4.8863 4.8863 4.9070 4.9070 9.8361 9.8361 12.0130 12.0130 12.3975 12.3975 13.0386 13.0386 13.1216 13.1216 13.3368 13.3368 k = 0.1167 0.2021 0.4913 ( 4738 PWs) bands (ev): -26.6337 -26.6337 -14.0831 -14.0831 -12.2510 -12.2510 -12.0468 -12.0468 -11.6411 -11.6411 -10.8492 -10.8492 -10.7819 -10.7819 -9.3517 -9.3517 -8.2727 -8.2727 -8.2308 -8.2308 -3.7323 -3.7323 -0.3591 -0.3591 -0.0410 -0.0410 0.8472 0.8472 1.1302 1.1302 1.2546 1.2546 1.6235 1.6235 3.1066 3.1066 3.7726 3.7726 3.7990 3.7990 3.8907 3.8907 4.0496 4.0496 4.2410 4.2410 4.3925 4.3925 4.4448 4.4448 4.5099 4.5099 4.8849 4.8849 4.9077 4.9077 9.7884 9.7884 12.0390 12.0390 12.3595 12.3595 13.0410 13.0410 13.1228 13.1228 13.3050 13.3050 k = 0.1083 0.1876 0.4913 ( 4738 PWs) bands (ev): -26.6338 -26.6338 -14.1040 -14.1040 -12.2178 -12.2178 -12.0386 -12.0386 -11.6509 -11.6509 -10.8362 -10.8362 -10.7807 -10.7807 -9.3572 -9.3572 -8.2746 -8.2746 -8.2367 -8.2367 -3.7834 -3.7834 -0.3066 -0.3066 -0.0395 -0.0395 0.8620 0.8620 1.1202 1.1202 1.2377 1.2377 1.5696 1.5696 3.1735 3.1735 3.7765 3.7765 3.8073 3.8073 3.9169 3.9169 4.0355 4.0355 4.2365 4.2365 4.4010 4.4010 4.4305 4.4305 4.4881 4.4881 4.8841 4.8841 4.9077 4.9077 9.7420 9.7420 12.0632 12.0632 12.3202 12.3202 13.0454 13.0454 13.1246 13.1246 13.2759 13.2759 k = 0.1000 0.1732 0.4913 ( 4738 PWs) bands (ev): -26.6338 -26.6338 -14.1234 -14.1234 -12.1865 -12.1865 -12.0303 -12.0303 -11.6608 -11.6608 -10.8242 -10.8242 -10.7789 -10.7789 -9.3626 -9.3626 -8.2765 -8.2765 -8.2426 -8.2426 -3.8318 -3.8318 -0.2564 -0.2564 -0.0360 -0.0360 0.8761 0.8761 1.1115 1.1115 1.2203 1.2203 1.5165 1.5165 3.2401 3.2401 3.7721 3.7721 3.8202 3.8202 3.9386 3.9386 4.0276 4.0276 4.2298 4.2298 4.4058 4.4058 4.4185 4.4185 4.4703 4.4703 4.8839 4.8839 4.9072 4.9072 9.6973 9.6973 12.0856 12.0856 12.2804 12.2804 13.0512 13.0512 13.1270 13.1270 13.2496 13.2496 k = 0.0917 0.1588 0.4913 ( 4738 PWs) bands (ev): -26.6338 -26.6338 -14.1414 -14.1414 -12.1572 -12.1572 -12.0219 -12.0219 -11.6707 -11.6707 -10.8130 -10.8130 -10.7766 -10.7766 -9.3678 -9.3678 -8.2782 -8.2782 -8.2481 -8.2481 -3.8771 -3.8771 -0.2087 -0.2087 -0.0309 -0.0309 0.8894 0.8894 1.1040 1.1040 1.2027 1.2027 1.4649 1.4649 3.3060 3.3060 3.7642 3.7642 3.8360 3.8360 3.9475 3.9475 4.0302 4.0302 4.2213 4.2213 4.3881 4.3881 4.4258 4.4258 4.4584 4.4584 4.8840 4.8840 4.9060 4.9060 9.6545 9.6545 12.1061 12.1061 12.2409 12.2409 13.0580 13.0580 13.1297 13.1297 13.2259 13.2259 k = 0.0833 0.1443 0.4913 ( 4734 PWs) bands (ev): -26.6338 -26.6338 -14.1579 -14.1579 -12.1303 -12.1303 -12.0132 -12.0132 -11.6804 -11.6804 -10.8028 -10.8028 -10.7739 -10.7739 -9.3728 -9.3728 -8.2798 -8.2798 -8.2534 -8.2534 -3.9192 -3.9192 -0.1638 -0.1638 -0.0242 -0.0242 0.9016 0.9016 1.0976 1.0976 1.1849 1.1849 1.4154 1.4154 3.3709 3.3709 3.7553 3.7553 3.8531 3.8531 3.9440 3.9440 4.0415 4.0415 4.2114 4.2114 4.3629 4.3629 4.4365 4.4365 4.4534 4.4534 4.8842 4.8842 4.9043 4.9043 9.6140 9.6140 12.1248 12.1248 12.2024 12.2024 13.0653 13.0653 13.1329 13.1329 13.2051 13.2051 k = 0.0750 0.1299 0.4913 ( 4730 PWs) bands (ev): -26.6339 -26.6339 -14.1729 -14.1729 -12.1059 -12.1059 -12.0044 -12.0044 -11.6900 -11.6900 -10.7936 -10.7936 -10.7709 -10.7709 -9.3776 -9.3776 -8.2813 -8.2813 -8.2584 -8.2584 -3.9579 -3.9579 -0.1219 -0.1219 -0.0162 -0.0162 0.9127 0.9127 1.0923 1.0923 1.1673 1.1673 1.3687 1.3687 3.4344 3.4344 3.7467 3.7467 3.8709 3.8709 3.9346 3.9346 4.0543 4.0543 4.2004 4.2004 4.3343 4.3343 4.4449 4.4449 4.4571 4.4571 4.8844 4.8844 4.9023 4.9023 9.5761 9.5761 12.1415 12.1415 12.1657 12.1657 13.0726 13.0726 13.1363 13.1363 13.1870 13.1870 k = 0.0667 0.1155 0.4913 ( 4718 PWs) bands (ev): -26.6339 -26.6339 -14.1864 -14.1864 -12.0843 -12.0843 -11.9954 -11.9954 -11.6992 -11.6992 -10.7856 -10.7856 -10.7676 -10.7676 -9.3821 -9.3821 -8.2827 -8.2827 -8.2629 -8.2629 -3.9930 -3.9930 -0.0833 -0.0833 -0.0072 -0.0072 0.9225 0.9225 1.0875 1.0875 1.1502 1.1502 1.3255 1.3255 3.4959 3.4959 3.7390 3.7390 3.8891 3.8891 3.9235 3.9235 4.0644 4.0644 4.1885 4.1885 4.3034 4.3034 4.4517 4.4517 4.4670 4.4670 4.8843 4.8843 4.9000 4.9000 9.5411 9.5411 12.1306 12.1306 12.1570 12.1570 13.0793 13.0793 13.1398 13.1398 13.1719 13.1719 k = 0.0583 0.1010 0.4913 ( 4718 PWs) bands (ev): -26.6339 -26.6339 -14.1983 -14.1983 -12.0657 -12.0657 -11.9861 -11.9861 -11.7079 -11.7079 -10.7787 -10.7787 -10.7642 -10.7642 -9.3862 -9.3862 -8.2841 -8.2841 -8.2669 -8.2669 -4.0245 -4.0245 -0.0484 -0.0484 0.0025 0.0025 0.9309 0.9309 1.0825 1.0825 1.1345 1.1345 1.2865 1.2865 3.5546 3.5546 3.7333 3.7333 3.9071 3.9071 3.9127 3.9127 4.0706 4.0706 4.1760 4.1760 4.2708 4.2708 4.4606 4.4606 4.4783 4.4783 4.8839 4.8839 4.8976 4.8976 9.5093 9.5093 12.0989 12.0989 12.1700 12.1700 13.0850 13.0850 13.1426 13.1426 13.1606 13.1606 k = 0.0500 0.0866 0.4913 ( 4710 PWs) bands (ev): -26.6339 -26.6339 -14.2087 -14.2087 -12.0501 -12.0501 -11.9769 -11.9769 -11.7160 -11.7160 -10.7731 -10.7731 -10.7606 -10.7606 -9.3899 -9.3899 -8.2853 -8.2853 -8.2704 -8.2704 -4.0520 -4.0520 -0.0177 -0.0177 0.0127 0.0127 0.9382 0.9382 1.0756 1.0756 1.1217 1.1217 1.2523 1.2523 3.6083 3.6083 3.7316 3.7316 3.9020 3.9020 3.9256 3.9256 4.0730 4.0730 4.1628 4.1628 4.2369 4.2369 4.4717 4.4717 4.4892 4.4892 4.8831 4.8831 4.8953 4.8953 9.4811 9.4811 12.0705 12.0705 12.1815 12.1815 13.0890 13.0890 13.1420 13.1420 13.1557 13.1557 k = 0.0417 0.0722 0.4913 ( 4706 PWs) bands (ev): -26.6339 -26.6339 -14.2175 -14.2175 -12.0374 -12.0374 -11.9680 -11.9680 -11.7233 -11.7233 -10.7686 -10.7686 -10.7570 -10.7570 -9.3931 -9.3931 -8.2865 -8.2865 -8.2733 -8.2733 -4.0756 -4.0756 0.0074 0.0074 0.0241 0.0241 0.9444 0.9444 1.0654 1.0654 1.1133 1.1133 1.2235 1.2235 3.6509 3.6509 3.7399 3.7399 3.8930 3.8930 3.9433 3.9433 4.0720 4.0720 4.1492 4.1492 4.2025 4.2025 4.4837 4.4837 4.4991 4.4991 4.8818 4.8818 4.8931 4.8931 9.4567 9.4567 12.0457 12.0457 12.1911 12.1911 13.0910 13.0910 13.1381 13.1381 13.1573 13.1573 k = 0.0333 0.0577 0.4913 ( 4716 PWs) bands (ev): -26.6340 -26.6340 -14.2247 -14.2247 -12.0274 -12.0274 -11.9598 -11.9598 -11.7296 -11.7296 -10.7653 -10.7653 -10.7536 -10.7536 -9.3958 -9.3958 -8.2877 -8.2877 -8.2756 -8.2756 -4.0950 -4.0950 0.0237 0.0237 0.0391 0.0391 0.9498 0.9498 1.0525 1.0525 1.1091 1.1091 1.2002 1.2002 3.6731 3.6731 3.7673 3.7673 3.8853 3.8853 3.9603 3.9603 4.0677 4.0677 4.1347 4.1347 4.1694 4.1694 4.4955 4.4955 4.5078 4.5078 4.8804 4.8804 4.8912 4.8912 9.4363 9.4363 12.0249 12.0249 12.1989 12.1989 13.0911 13.0911 13.1351 13.1351 13.1606 13.1606 k = 0.0250 0.0433 0.4913 ( 4716 PWs) bands (ev): -26.6340 -26.6340 -14.2303 -14.2303 -12.0200 -12.0200 -11.9528 -11.9528 -11.7348 -11.7348 -10.7629 -10.7629 -10.7508 -10.7508 -9.3980 -9.3980 -8.2886 -8.2886 -8.2773 -8.2773 -4.1102 -4.1102 0.0330 0.0330 0.0552 0.0552 0.9545 0.9545 1.0389 1.0389 1.1075 1.1075 1.1825 1.1825 3.6795 3.6795 3.8089 3.8089 3.8793 3.8793 3.9760 3.9760 4.0589 4.0589 4.1176 4.1176 4.1422 4.1422 4.5058 4.5058 4.5151 4.5151 4.8789 4.8789 4.8896 4.8896 9.4202 9.4202 12.0085 12.0085 12.2049 12.2049 13.0899 13.0899 13.1336 13.1336 13.1639 13.1639 k = 0.0167 0.0289 0.4913 ( 4720 PWs) bands (ev): -26.6340 -26.6340 -14.2343 -14.2343 -12.0148 -12.0148 -11.9476 -11.9476 -11.7387 -11.7387 -10.7612 -10.7612 -10.7486 -10.7486 -9.3995 -9.3995 -8.2894 -8.2894 -8.2784 -8.2784 -4.1211 -4.1211 0.0391 0.0391 0.0677 0.0677 0.9586 0.9586 1.0270 1.0270 1.1072 1.1072 1.1700 1.1700 3.6805 3.6805 3.8530 3.8530 3.8749 3.8749 3.9895 3.9895 4.0422 4.0422 4.0989 4.0989 4.1261 4.1261 4.5135 4.5135 4.5208 4.5208 4.8776 4.8776 4.8884 4.8884 9.4086 9.4086 11.9966 11.9966 12.2093 12.2093 13.0883 13.0883 13.1332 13.1332 13.1665 13.1665 k = 0.0083 0.0144 0.4913 ( 4712 PWs) bands (ev): -26.6340 -26.6340 -14.2368 -14.2368 -12.0118 -12.0118 -11.9443 -11.9443 -11.7410 -11.7410 -10.7602 -10.7602 -10.7473 -10.7473 -9.4005 -9.4005 -8.2899 -8.2899 -8.2791 -8.2791 -4.1277 -4.1277 0.0428 0.0428 0.0754 0.0754 0.9617 0.9617 1.0187 1.0187 1.1072 1.1072 1.1627 1.1627 3.6803 3.6803 3.8722 3.8722 3.8921 3.8921 3.9989 3.9989 4.0182 4.0182 4.0868 4.0868 4.1180 4.1180 4.5181 4.5181 4.5246 4.5246 4.8768 4.8768 4.8876 4.8876 9.4016 9.4016 11.9894 11.9894 12.2119 12.2119 13.0871 13.0871 13.1332 13.1332 13.1682 13.1682 k = 0.0000 0.0000 0.4913 ( 4714 PWs) bands (ev): -26.6340 -26.6340 -14.2376 -14.2376 -12.0107 -12.0107 -11.9431 -11.9431 -11.7418 -11.7418 -10.7599 -10.7599 -10.7468 -10.7468 -9.4008 -9.4008 -8.2901 -8.2901 -8.2793 -8.2793 -4.1299 -4.1299 0.0440 0.0440 0.0781 0.0781 0.9629 0.9629 1.0156 1.0156 1.1072 1.1072 1.1602 1.1602 3.6801 3.6801 3.8713 3.8713 3.9111 3.9111 4.0003 4.0003 4.0059 4.0059 4.0829 4.0829 4.1153 4.1153 4.5196 4.5196 4.5259 4.5259 4.8765 4.8765 4.8874 4.8874 9.3993 9.3993 11.9870 11.9870 12.2127 12.2127 13.0867 13.0867 13.1332 13.1332 13.1688 13.1688 k = 0.5000 0.2887 0.4913 ( 4744 PWs) bands (ev): -26.6332 -26.6332 -13.5667 -13.5667 -12.9784 -12.9784 -12.1015 -12.1015 -11.5330 -11.5330 -10.9457 -10.9457 -10.8763 -10.8763 -9.2850 -9.2850 -8.2501 -8.2501 -8.1367 -8.1367 -2.6992 -2.6992 -1.3537 -1.3537 0.1057 0.1057 0.7596 0.7596 1.3173 1.3173 1.5206 1.5206 1.6206 1.6206 3.0202 3.0202 3.0440 3.0440 3.6819 3.6819 3.7943 3.7943 4.1616 4.1616 4.3273 4.3273 4.4762 4.4762 4.5055 4.5055 4.8247 4.8247 4.8627 4.8627 4.9051 4.9051 10.5905 10.5905 11.4505 11.4505 13.0557 13.0557 13.1701 13.1701 13.2318 13.2318 13.3672 13.3672 k = 0.5000 0.2887 0.4749 ( 4740 PWs) bands (ev): -26.6332 -26.6332 -13.5668 -13.5668 -12.9783 -12.9783 -12.1018 -12.1018 -11.5326 -11.5326 -10.9462 -10.9462 -10.8755 -10.8755 -9.2850 -9.2850 -8.2501 -8.2501 -8.1370 -8.1370 -2.6994 -2.6994 -1.3535 -1.3535 0.1062 0.1062 0.7596 0.7596 1.3174 1.3174 1.5196 1.5196 1.6212 1.6212 3.0200 3.0200 3.0437 3.0437 3.6824 3.6824 3.7938 3.7938 4.1629 4.1629 4.3256 4.3256 4.4785 4.4785 4.5046 4.5046 4.8242 4.8242 4.8571 4.8571 4.9104 4.9104 10.5906 10.5906 11.4492 11.4492 13.0541 13.0541 13.1700 13.1700 13.2333 13.2333 13.3677 13.3677 k = 0.5000 0.2887 0.4585 ( 4748 PWs) bands (ev): -26.6332 -26.6332 -13.5673 -13.5673 -12.9781 -12.9781 -12.1025 -12.1025 -11.5313 -11.5313 -10.9479 -10.9479 -10.8733 -10.8733 -9.2852 -9.2852 -8.2499 -8.2499 -8.1378 -8.1378 -2.7002 -2.7002 -1.3529 -1.3529 0.1077 0.1077 0.7597 0.7597 1.3178 1.3178 1.5167 1.5167 1.6231 1.6231 3.0194 3.0194 3.0427 3.0427 3.6839 3.6839 3.7923 3.7923 4.1668 4.1668 4.3206 4.3206 4.4846 4.4846 4.5021 4.5021 4.8225 4.8225 4.8451 4.8451 4.9217 4.9217 10.5911 10.5911 11.4453 11.4453 13.0492 13.0492 13.1699 13.1699 13.2376 13.2376 13.3689 13.3689 k = 0.5000 0.2887 0.4422 ( 4750 PWs) bands (ev): -26.6332 -26.6332 -13.5682 -13.5682 -12.9777 -12.9777 -12.1037 -12.1037 -11.5292 -11.5292 -10.9505 -10.9505 -10.8697 -10.8697 -9.2856 -9.2856 -8.2497 -8.2497 -8.1392 -8.1392 -2.7014 -2.7014 -1.3518 -1.3518 0.1101 0.1101 0.7597 0.7597 1.3183 1.3183 1.5119 1.5119 1.6263 1.6263 3.0182 3.0182 3.0412 3.0412 3.6862 3.6862 3.7898 3.7898 4.1732 4.1732 4.3133 4.3133 4.4923 4.4923 4.4996 4.4996 4.8193 4.8193 4.8314 4.8314 4.9346 4.9346 10.5918 10.5918 11.4389 11.4389 13.0412 13.0412 13.1697 13.1697 13.2448 13.2448 13.3710 13.3710 k = 0.5000 0.2887 0.4258 ( 4750 PWs) bands (ev): -26.6333 -26.6333 -13.5693 -13.5693 -12.9771 -12.9771 -12.1054 -12.1054 -11.5262 -11.5262 -10.9538 -10.9538 -10.8649 -10.8649 -9.2861 -9.2861 -8.2493 -8.2493 -8.1411 -8.1411 -2.7032 -2.7032 -1.3504 -1.3504 0.1134 0.1134 0.7598 0.7598 1.3190 1.3190 1.5052 1.5052 1.6307 1.6307 3.0162 3.0162 3.0395 3.0395 3.6893 3.6893 3.7864 3.7864 4.1820 4.1820 4.3047 4.3047 4.4896 4.4896 4.5078 4.5078 4.8115 4.8115 4.8206 4.8206 4.9476 4.9476 10.5928 10.5928 11.4301 11.4301 13.0303 13.0303 13.1696 13.1696 13.2544 13.2544 13.3737 13.3737 k = 0.5000 0.2887 0.4094 ( 4750 PWs) bands (ev): -26.6333 -26.6333 -13.5708 -13.5708 -12.9764 -12.9764 -12.1075 -12.1075 -11.5224 -11.5224 -10.9579 -10.9579 -10.8592 -10.8592 -9.2867 -9.2867 -8.2489 -8.2489 -8.1435 -8.1435 -2.7054 -2.7054 -1.3486 -1.3486 0.1176 0.1176 0.7599 0.7599 1.3198 1.3198 1.4968 1.4968 1.6364 1.6364 3.0132 3.0132 3.0380 3.0380 3.6930 3.6930 3.7820 3.7820 4.1930 4.1930 4.2955 4.2955 4.4819 4.4819 4.5207 4.5207 4.7981 4.7981 4.8148 4.8148 4.9601 4.9601 10.5940 10.5940 11.4191 11.4191 13.0164 13.0164 13.1697 13.1697 13.2663 13.2663 13.3769 13.3769 k = 0.5000 0.2887 0.3930 ( 4746 PWs) bands (ev): -26.6333 -26.6333 -13.5725 -13.5725 -12.9756 -12.9756 -12.1101 -12.1101 -11.5179 -11.5179 -10.9624 -10.9624 -10.8525 -10.8525 -9.2875 -9.2875 -8.2484 -8.2484 -8.1463 -8.1463 -2.7080 -2.7080 -1.3465 -1.3465 0.1226 0.1226 0.7601 0.7601 1.3208 1.3208 1.4868 1.4868 1.6432 1.6432 3.0090 3.0090 3.0368 3.0368 3.6973 3.6973 3.7768 3.7768 4.2061 4.2061 4.2865 4.2865 4.4722 4.4722 4.5345 4.5345 4.7837 4.7837 4.8097 4.8097 4.9719 4.9719 10.5956 10.5956 11.4061 11.4061 12.9998 12.9998 13.1700 13.1700 13.2803 13.2803 13.3805 13.3805 k = 0.5000 0.2887 0.3767 ( 4750 PWs) bands (ev): -26.6333 -26.6333 -13.5746 -13.5746 -12.9746 -12.9746 -12.1130 -12.1130 -11.5127 -11.5127 -10.9674 -10.9674 -10.8451 -10.8451 -9.2885 -9.2885 -8.2479 -8.2479 -8.1495 -8.1495 -2.7111 -2.7111 -1.3440 -1.3440 0.1285 0.1285 0.7604 0.7604 1.3219 1.3219 1.4754 1.4754 1.6511 1.6511 3.0036 3.0036 3.0361 3.0361 3.7019 3.7019 3.7708 3.7708 4.2210 4.2210 4.2780 4.2780 4.4608 4.4608 4.5485 4.5485 4.7699 4.7699 4.8042 4.8042 4.9827 4.9827 10.5974 10.5974 11.3913 11.3913 12.9807 12.9807 13.1707 13.1707 13.2963 13.2963 13.3842 13.3842 k = 0.5000 0.2887 0.3603 ( 4762 PWs) bands (ev): -26.6333 -26.6333 -13.5768 -13.5768 -12.9736 -12.9736 -12.1162 -12.1162 -11.5069 -11.5069 -10.9727 -10.9727 -10.8371 -10.8371 -9.2896 -9.2896 -8.2474 -8.2474 -8.1530 -8.1530 -2.7145 -2.7145 -1.3413 -1.3413 0.1351 0.1351 0.7607 0.7607 1.3231 1.3231 1.4627 1.4627 1.6601 1.6601 2.9973 2.9973 3.0358 3.0358 3.7067 3.7067 3.7642 3.7642 4.2372 4.2372 4.2705 4.2705 4.4478 4.4478 4.5621 4.5621 4.7570 4.7570 4.7985 4.7985 4.9925 4.9925 10.5995 10.5995 11.3749 11.3749 12.9592 12.9592 13.1716 13.1716 13.3142 13.3142 13.3877 13.3877 k = 0.5000 0.2887 0.3439 ( 4760 PWs) bands (ev): -26.6333 -26.6333 -13.5793 -13.5793 -12.9724 -12.9724 -12.1197 -12.1197 -11.5005 -11.5005 -10.9783 -10.9783 -10.8284 -10.8284 -9.2910 -9.2910 -8.2468 -8.2468 -8.1568 -8.1568 -2.7182 -2.7182 -1.3382 -1.3382 0.1423 0.1423 0.7610 0.7610 1.3243 1.3243 1.4489 1.4489 1.6702 1.6702 2.9900 2.9900 3.0358 3.0358 3.7116 3.7116 3.7570 3.7570 4.2531 4.2531 4.2655 4.2655 4.4335 4.4335 4.5748 4.5748 4.7452 4.7452 4.7927 4.7927 5.0013 5.0013 10.6019 10.6019 11.3573 11.3573 12.9355 12.9355 13.1728 13.1728 13.3337 13.3337 13.3910 13.3910 k = 0.5000 0.2887 0.3275 ( 4760 PWs) bands (ev): -26.6333 -26.6333 -13.5819 -13.5819 -12.9711 -12.9711 -12.1235 -12.1235 -11.4935 -11.4935 -10.9841 -10.9841 -10.8193 -10.8193 -9.2926 -9.2926 -8.2464 -8.2464 -8.1607 -8.1607 -2.7223 -2.7223 -1.3349 -1.3349 0.1502 0.1502 0.7615 0.7615 1.3255 1.3255 1.4342 1.4342 1.6812 1.6812 2.9821 2.9821 3.0359 3.0359 3.7164 3.7164 3.7495 3.7495 4.2557 4.2557 4.2757 4.2757 4.4179 4.4179 4.5862 4.5862 4.7349 4.7349 4.7871 4.7871 5.0089 5.0089 10.6045 10.6045 11.3386 11.3386 12.9099 12.9099 13.1743 13.1743 13.3545 13.3545 13.3940 13.3940 k = 0.5000 0.2887 0.3111 ( 4766 PWs) bands (ev): -26.6333 -26.6333 -13.5847 -13.5847 -12.9697 -12.9697 -12.1274 -12.1274 -11.4861 -11.4861 -10.9901 -10.9901 -10.8098 -10.8098 -9.2944 -9.2944 -8.2460 -8.2460 -8.1647 -8.1647 -2.7266 -2.7266 -1.3315 -1.3315 0.1586 0.1586 0.7620 0.7620 1.3266 1.3266 1.4187 1.4187 1.6931 1.6931 2.9737 2.9737 3.0362 3.0362 3.7208 3.7208 3.7422 3.7422 4.2519 4.2519 4.2939 4.2939 4.4013 4.4013 4.5958 4.5958 4.7262 4.7262 4.7821 4.7821 5.0155 5.0155 10.6073 10.6073 11.3191 11.3191 12.8828 12.8828 13.1761 13.1761 13.3748 13.3748 13.3982 13.3982 k = 0.5000 0.2887 0.2948 ( 4764 PWs) bands (ev): -26.6334 -26.6334 -13.5877 -13.5877 -12.9682 -12.9682 -12.1316 -12.1316 -11.4784 -11.4784 -10.9962 -10.9962 -10.8000 -10.8000 -9.2964 -9.2964 -8.2459 -8.2459 -8.1685 -8.1685 -2.7311 -2.7311 -1.3278 -1.3278 0.1674 0.1674 0.7626 0.7626 1.3276 1.3276 1.4028 1.4028 1.7057 1.7057 2.9647 2.9647 3.0365 3.0365 3.7233 3.7233 3.7366 3.7366 4.2487 4.2487 4.3120 4.3120 4.3844 4.3844 4.6030 4.6030 4.7193 4.7193 4.7783 4.7783 5.0210 5.0210 10.6103 10.6103 11.2991 11.2991 12.8544 12.8544 13.1781 13.1781 13.3861 13.3861 13.4120 13.4120 k = 0.5000 0.2887 0.2784 ( 4772 PWs) bands (ev): -26.6334 -26.6334 -13.5907 -13.5907 -12.9667 -12.9667 -12.1358 -12.1358 -11.4703 -11.4703 -11.0024 -11.0024 -10.7900 -10.7900 -9.2986 -9.2986 -8.2460 -8.2460 -8.1722 -8.1722 -2.7358 -2.7358 -1.3240 -1.3240 0.1766 0.1766 0.7633 0.7633 1.3285 1.3285 1.3865 1.3865 1.7191 1.7191 2.9554 2.9554 3.0369 3.0369 3.7201 3.7201 3.7365 3.7365 4.2466 4.2466 4.3270 4.3270 4.3697 4.3697 4.6073 4.6073 4.7142 4.7142 4.7759 4.7759 5.0255 5.0255 10.6135 10.6135 11.2788 11.2788 12.8251 12.8251 13.1803 13.1803 13.3872 13.3872 13.4363 13.4363 k = 0.5000 0.2887 0.2620 ( 4772 PWs) bands (ev): -26.6334 -26.6334 -13.5937 -13.5937 -12.9652 -12.9652 -12.1400 -12.1400 -11.4621 -11.4621 -11.0086 -11.0086 -10.7798 -10.7798 -9.3011 -9.3011 -8.2466 -8.2466 -8.1755 -8.1755 -2.7406 -2.7406 -1.3202 -1.3202 0.1860 0.1860 0.7641 0.7641 1.3292 1.3292 1.3702 1.3702 1.7330 1.7330 2.9457 2.9457 3.0372 3.0372 3.7132 3.7132 3.7403 3.7403 4.2456 4.2456 4.3283 4.3283 4.3673 4.3673 4.6085 4.6085 4.7111 4.7111 4.7754 4.7754 5.0291 5.0291 10.6168 10.6168 11.2585 11.2585 12.7953 12.7953 13.1826 13.1826 13.3848 13.3848 13.4643 13.4643 k = 0.5000 0.2887 0.2456 ( 4756 PWs) bands (ev): -26.6334 -26.6334 -13.5968 -13.5968 -12.9636 -12.9636 -12.1443 -12.1443 -11.4538 -11.4538 -11.0148 -11.0148 -10.7696 -10.7696 -9.3036 -9.3036 -8.2476 -8.2476 -8.1784 -8.1784 -2.7454 -2.7454 -1.3163 -1.3163 0.1956 0.1956 0.7650 0.7650 1.3294 1.3294 1.3543 1.3543 1.7475 1.7475 2.9357 2.9357 3.0375 3.0375 3.7056 3.7056 3.7451 3.7451 4.2457 4.2457 4.3134 4.3134 4.3798 4.3798 4.6065 4.6065 4.7098 4.7098 4.7768 4.7768 5.0318 5.0318 10.6203 10.6203 11.2383 11.2383 12.7653 12.7653 13.1849 13.1849 13.3806 13.3806 13.4947 13.4947 k = 0.5000 0.2887 0.2293 ( 4746 PWs) bands (ev): -26.6334 -26.6334 -13.5999 -13.5999 -12.9620 -12.9620 -12.1485 -12.1485 -11.4454 -11.4454 -11.0209 -11.0209 -10.7595 -10.7595 -9.3064 -9.3064 -8.2491 -8.2491 -8.1807 -8.1807 -2.7502 -2.7502 -1.3124 -1.3124 0.2052 0.2052 0.7660 0.7660 1.3275 1.3275 1.3404 1.3404 1.7622 1.7622 2.9255 2.9255 3.0378 3.0378 3.6980 3.6980 3.7504 3.7504 4.2469 4.2469 4.2934 4.2934 4.3959 4.3959 4.6015 4.6015 4.7102 4.7102 4.7799 4.7799 5.0338 5.0338 10.6238 10.6238 11.2185 11.2185 12.7355 12.7355 13.1874 13.1874 13.3750 13.3750 13.5268 13.5268 k = 0.5000 0.2887 0.2129 ( 4746 PWs) bands (ev): -26.6334 -26.6334 -13.6029 -13.6029 -12.9604 -12.9604 -12.1526 -12.1526 -11.4371 -11.4371 -11.0269 -11.0269 -10.7494 -10.7494 -9.3092 -9.3092 -8.2511 -8.2511 -8.1824 -8.1824 -2.7550 -2.7550 -1.3085 -1.3085 0.2148 0.2148 0.7670 0.7670 1.3179 1.3179 1.3345 1.3345 1.7771 1.7771 2.9152 2.9152 3.0379 3.0379 3.6907 3.6907 3.7561 3.7561 4.2490 4.2490 4.2720 4.2720 4.4120 4.4120 4.5939 4.5939 4.7122 4.7122 4.7844 4.7844 5.0352 5.0352 10.6274 10.6274 11.1993 11.1993 12.7062 12.7062 13.1898 13.1898 13.3683 13.3683 13.5607 13.5607 k = 0.5000 0.2887 0.1965 ( 4748 PWs) bands (ev): -26.6334 -26.6334 -13.6058 -13.6058 -12.9589 -12.9589 -12.1566 -12.1566 -11.4290 -11.4290 -11.0326 -11.0326 -10.7397 -10.7397 -9.3122 -9.3122 -8.2536 -8.2536 -8.1834 -8.1834 -2.7597 -2.7597 -1.3048 -1.3048 0.2242 0.2242 0.7680 0.7680 1.3037 1.3037 1.3336 1.3336 1.7921 1.7921 2.9047 2.9047 3.0380 3.0380 3.6837 3.6837 3.7621 3.7621 4.2490 4.2490 4.2529 4.2529 4.4275 4.4275 4.5843 4.5843 4.7155 4.7155 4.7898 4.7898 5.0361 5.0361 10.6309 10.6309 11.1808 11.1808 12.6777 12.6777 13.1921 13.1921 13.3609 13.3609 13.5962 13.5962 k = 0.5000 0.2887 0.1801 ( 4752 PWs) bands (ev): -26.6335 -26.6335 -13.6086 -13.6086 -12.9574 -12.9574 -12.1605 -12.1605 -11.4212 -11.4212 -11.0382 -11.0382 -10.7303 -10.7303 -9.3152 -9.3152 -8.2565 -8.2565 -8.1839 -8.1839 -2.7642 -2.7642 -1.3012 -1.3012 0.2333 0.2333 0.7691 0.7691 1.2894 1.2894 1.3333 1.3333 1.8069 1.8069 2.8943 2.8943 3.0381 3.0381 3.6773 3.6773 3.7685 3.7685 4.2271 4.2271 4.2563 4.2563 4.4419 4.4419 4.5731 4.5731 4.7197 4.7197 4.7957 4.7957 5.0366 5.0366 10.6344 10.6344 11.1632 11.1632 12.6504 12.6504 13.1944 13.1944 13.3530 13.3530 13.6331 13.6331 k = 0.5000 0.2887 0.1638 ( 4754 PWs) bands (ev): -26.6335 -26.6335 -13.6113 -13.6113 -12.9560 -12.9560 -12.1641 -12.1641 -11.4137 -11.4137 -11.0434 -11.0434 -10.7213 -10.7213 -9.3181 -9.3181 -8.2597 -8.2597 -8.1840 -8.1840 -2.7685 -2.7685 -1.2977 -1.2977 0.2420 0.2420 0.7702 0.7702 1.2756 1.2756 1.3332 1.3332 1.8214 1.8214 2.8840 2.8840 3.0381 3.0381 3.6714 3.6714 3.7754 3.7754 4.2046 4.2046 4.2611 4.2611 4.4554 4.4554 4.5608 4.5608 4.7244 4.7244 4.8018 4.8018 5.0370 5.0370 10.6378 10.6378 11.1467 11.1467 12.6245 12.6245 13.1966 13.1966 13.3451 13.3451 13.6712 13.6712 k = 0.5000 0.2887 0.1474 ( 4750 PWs) bands (ev): -26.6335 -26.6335 -13.6138 -13.6138 -12.9547 -12.9547 -12.1675 -12.1675 -11.4066 -11.4066 -11.0483 -11.0483 -10.7129 -10.7129 -9.3210 -9.3210 -8.2631 -8.2631 -8.1836 -8.1836 -2.7725 -2.7725 -1.2944 -1.2944 0.2503 0.2503 0.7713 0.7713 1.2627 1.2627 1.3330 1.3330 1.8354 1.8354 2.8739 2.8739 3.0380 3.0380 3.6662 3.6662 3.7828 3.7828 4.1823 4.1823 4.2667 4.2667 4.4677 4.4677 4.5479 4.5479 4.7292 4.7292 4.8078 4.8078 5.0374 5.0374 10.6411 10.6411 11.1314 11.1314 12.6003 12.6003 13.1986 13.1986 13.3373 13.3373 13.7103 13.7103 k = 0.5000 0.2887 0.1310 ( 4738 PWs) bands (ev): -26.6335 -26.6335 -13.6161 -13.6161 -12.9534 -12.9534 -12.1706 -12.1706 -11.4000 -11.4000 -11.0529 -11.0529 -10.7050 -10.7050 -9.3238 -9.3238 -8.2664 -8.2664 -8.1830 -8.1830 -2.7763 -2.7763 -1.2914 -1.2914 0.2580 0.2580 0.7724 0.7724 1.2509 1.2509 1.3327 1.3327 1.8487 1.8487 2.8642 2.8642 3.0379 3.0379 3.6615 3.6615 3.7906 3.7906 4.1604 4.1604 4.2728 4.2728 4.4790 4.4790 4.5347 4.5347 4.7339 4.7339 4.8135 4.8135 5.0377 5.0377 10.6442 10.6442 11.1174 11.1174 12.5780 12.5780 13.2004 13.2004 13.3298 13.3298 13.7499 13.7499 k = 0.5000 0.2887 0.1146 ( 4738 PWs) bands (ev): -26.6335 -26.6335 -13.6182 -13.6182 -12.9523 -12.9523 -12.1734 -12.1734 -11.3940 -11.3940 -11.0570 -11.0570 -10.6979 -10.6979 -9.3264 -9.3264 -8.2696 -8.2696 -8.1823 -8.1823 -2.7797 -2.7797 -1.2887 -1.2887 0.2651 0.2651 0.7734 0.7734 1.2401 1.2401 1.3324 1.3324 1.8611 1.8611 2.8550 2.8550 3.0377 3.0377 3.6574 3.6574 3.7988 3.7988 4.1393 4.1393 4.2794 4.2794 4.4889 4.4889 4.5218 4.5218 4.7381 4.7381 4.8188 4.8188 5.0382 5.0382 10.6470 10.6470 11.1047 11.1047 12.5578 12.5578 13.2020 13.2020 13.3229 13.3229 13.7893 13.7893 k = 0.5000 0.2887 0.0983 ( 4738 PWs) bands (ev): -26.6335 -26.6335 -13.6201 -13.6201 -12.9513 -12.9513 -12.1759 -12.1759 -11.3886 -11.3886 -11.0606 -11.0606 -10.6915 -10.6915 -9.3288 -9.3288 -8.2727 -8.2727 -8.1814 -8.1814 -2.7827 -2.7827 -1.2862 -1.2862 0.2714 0.2714 0.7743 0.7743 1.2307 1.2307 1.3321 1.3321 1.8724 1.8724 2.8466 2.8466 3.0376 3.0376 3.6539 3.6539 3.8073 3.8073 4.1193 4.1193 4.2864 4.2864 4.4962 4.4962 4.5107 4.5107 4.7417 4.7417 4.8235 4.8235 5.0387 5.0387 10.6495 10.6495 11.0936 11.0936 12.5400 12.5400 13.2033 13.2033 13.3167 13.3167 13.8274 13.8274 k = 0.5000 0.2887 0.0819 ( 4750 PWs) bands (ev): -26.6335 -26.6335 -13.6217 -13.6217 -12.9504 -12.9504 -12.1781 -12.1781 -11.3840 -11.3840 -11.0637 -11.0637 -10.6861 -10.6861 -9.3309 -9.3309 -8.2754 -8.2754 -8.1806 -8.1806 -2.7854 -2.7854 -1.2841 -1.2841 0.2769 0.2769 0.7751 0.7751 1.2225 1.2225 1.3317 1.3317 1.8823 1.8823 2.8391 2.8391 3.0374 3.0374 3.6511 3.6511 3.8157 3.8157 4.1008 4.1008 4.2933 4.2933 4.4927 4.4927 4.5099 4.5099 4.7446 4.7446 4.8276 4.8276 5.0394 5.0394 10.6517 10.6517 11.0840 11.0840 12.5246 12.5246 13.2044 13.2044 13.3113 13.3113 13.8626 13.8626 k = 0.5000 0.2887 0.0655 ( 4752 PWs) bands (ev): -26.6335 -26.6335 -13.6230 -13.6230 -12.9496 -12.9496 -12.1798 -12.1798 -11.3801 -11.3801 -11.0664 -11.0664 -10.6815 -10.6815 -9.3327 -9.3327 -8.2777 -8.2777 -8.1799 -8.1799 -2.7876 -2.7876 -1.2824 -1.2824 0.2814 0.2814 0.7758 0.7758 1.2157 1.2157 1.3314 1.3314 1.8907 1.8907 2.8327 2.8327 3.0372 3.0372 3.6487 3.6487 3.8239 3.8239 4.0842 4.0842 4.3001 4.3001 4.4826 4.4826 4.5156 4.5156 4.7467 4.7467 4.8310 4.8310 5.0401 5.0401 10.6536 10.6536 11.0761 11.0761 12.5118 12.5118 13.2053 13.2053 13.3068 13.3068 13.8929 13.8929 k = 0.5000 0.2887 0.0491 ( 4760 PWs) bands (ev): -26.6335 -26.6335 -13.6241 -13.6241 -12.9491 -12.9491 -12.1812 -12.1812 -11.3770 -11.3770 -11.0684 -11.0684 -10.6779 -10.6779 -9.3342 -9.3342 -8.2796 -8.2796 -8.1792 -8.1792 -2.7893 -2.7893 -1.2810 -1.2810 0.2851 0.2851 0.7764 0.7764 1.2104 1.2104 1.3311 1.3311 1.8975 1.8975 2.8275 2.8275 3.0371 3.0371 3.6469 3.6469 3.8312 3.8312 4.0702 4.0702 4.3062 4.3062 4.4732 4.4732 4.5208 4.5208 4.7482 4.7482 4.8337 4.8337 5.0407 5.0407 10.6551 10.6551 11.0699 11.0699 12.5018 12.5018 13.2060 13.2060 13.3032 13.3032 13.9168 13.9168 k = 0.5000 0.2887 0.0328 ( 4750 PWs) bands (ev): -26.6335 -26.6335 -13.6248 -13.6248 -12.9486 -12.9486 -12.1822 -12.1822 -11.3748 -11.3748 -11.0699 -11.0699 -10.6752 -10.6752 -9.3352 -9.3352 -8.2809 -8.2809 -8.1787 -8.1787 -2.7906 -2.7906 -1.2800 -1.2800 0.2877 0.2877 0.7768 0.7768 1.2066 1.2066 1.3309 1.3309 1.9025 1.9025 2.8237 2.8237 3.0370 3.0370 3.6457 3.6457 3.8372 3.8372 4.0594 4.0594 4.3112 4.3112 4.4657 4.4657 4.5248 4.5248 4.7492 4.7492 4.8357 4.8357 5.0413 5.0413 10.6562 10.6562 11.0654 11.0654 12.4945 12.4945 13.2064 13.2064 13.3007 13.3007 13.9335 13.9335 k = 0.5000 0.2887 0.0164 ( 4750 PWs) bands (ev): -26.6335 -26.6335 -13.6253 -13.6253 -12.9484 -12.9484 -12.1828 -12.1828 -11.3735 -11.3735 -11.0708 -11.0708 -10.6736 -10.6736 -9.3359 -9.3359 -8.2817 -8.2817 -8.1784 -8.1784 -2.7913 -2.7913 -1.2794 -1.2794 0.2893 0.2893 0.7771 0.7771 1.2043 1.2043 1.3308 1.3308 1.9055 1.9055 2.8213 2.8213 3.0369 3.0369 3.6449 3.6449 3.8411 3.8411 4.0526 4.0526 4.3145 4.3145 4.4609 4.4609 4.5272 4.5272 4.7497 4.7497 4.8369 4.8369 5.0416 5.0416 10.6568 10.6568 11.0627 11.0627 12.4902 12.4902 13.2067 13.2067 13.2991 13.2991 13.9432 13.9432 k = 0.5000 0.2887-0.0000 ( 4748 PWs) bands (ev): -26.6335 -26.6335 -13.6254 -13.6254 -12.9483 -12.9483 -12.1831 -12.1831 -11.3730 -11.3730 -11.0711 -11.0711 -10.6731 -10.6731 -9.3361 -9.3361 -8.2820 -8.2820 -8.1783 -8.1783 -2.7916 -2.7916 -1.2792 -1.2792 0.2898 0.2898 0.7771 0.7771 1.2035 1.2035 1.3307 1.3307 1.9065 1.9065 2.8206 2.8206 3.0369 3.0369 3.6447 3.6447 3.8425 3.8425 4.0502 4.0502 4.3156 4.3156 4.4592 4.4592 4.5280 4.5280 4.7499 4.7499 4.8372 4.8372 5.0418 5.0418 10.6570 10.6570 11.0619 11.0619 12.4887 12.4887 13.2068 13.2068 13.2986 13.2986 13.9464 13.9464 k = 0.3333 0.5774-0.0000 ( 4701 PWs) bands (ev): -26.6334 -26.6334 -13.3106 -13.3106 -13.2936 -13.2936 -12.2046 -12.2046 -11.2072 -11.2072 -11.2062 -11.2062 -10.6973 -10.6973 -9.3325 -9.3325 -8.2864 -8.2864 -8.1806 -8.1806 -2.0675 -2.0675 -2.0414 -2.0414 0.4753 0.4753 0.5529 0.5529 1.3208 1.3208 1.7296 1.7296 2.1684 2.1684 2.1912 2.1912 2.5810 2.5810 4.0804 4.0804 4.1307 4.1307 4.1387 4.1387 4.1432 4.1432 4.4545 4.4545 4.4577 4.4577 4.7286 4.7286 4.7387 4.7387 5.0525 5.0525 10.9210 10.9210 10.9215 10.9215 12.5450 12.5450 12.6666 12.6666 13.2455 13.2455 13.9494 13.9494 k = 0.3333 0.5774 0.0164 ( 4716 PWs) bands (ev): -26.6334 -26.6334 -13.3097 -13.3097 -13.2925 -13.2925 -12.2001 -12.2001 -11.2121 -11.2121 -11.2096 -11.2096 -10.7086 -10.7086 -9.3248 -9.3248 -8.2814 -8.2814 -8.1736 -8.1736 -2.0704 -2.0704 -2.0440 -2.0440 0.4647 0.4647 0.5428 0.5428 1.3083 1.3083 1.7286 1.7286 2.1707 2.1707 2.1935 2.1935 2.5788 2.5788 4.1051 4.1051 4.1149 4.1149 4.1227 4.1227 4.1436 4.1436 4.4766 4.4766 4.4790 4.4790 4.7421 4.7421 4.7519 4.7519 5.0444 5.0444 10.9265 10.9265 10.9274 10.9274 12.5305 12.5305 12.6557 12.6557 13.2440 13.2440 13.9385 13.9385 k = 0.3333 0.5774 0.0328 ( 4725 PWs) bands (ev): -26.6334 -26.6334 -13.3086 -13.3086 -13.2911 -13.2911 -12.1958 -12.1958 -11.2177 -11.2177 -11.2135 -11.2135 -10.7196 -10.7196 -9.3169 -9.3169 -8.2762 -8.2762 -8.1667 -8.1667 -2.0733 -2.0733 -2.0466 -2.0466 0.4541 0.4541 0.5327 0.5327 1.2950 1.2950 1.7278 1.7278 2.1728 2.1728 2.1958 2.1958 2.5779 2.5779 4.0992 4.0992 4.1073 4.1073 4.1298 4.1298 4.1440 4.1440 4.4985 4.4985 4.5000 4.5000 4.7554 4.7554 4.7649 4.7649 5.0366 5.0366 10.9323 10.9323 10.9336 10.9336 12.5174 12.5174 12.6460 12.6460 13.2443 13.2443 13.9286 13.9286 k = 0.3333 0.5774 0.0491 ( 4734 PWs) bands (ev): -26.6334 -26.6334 -13.3071 -13.3071 -13.2895 -13.2895 -12.1917 -12.1917 -11.2240 -11.2240 -11.2181 -11.2181 -10.7300 -10.7300 -9.3088 -9.3088 -8.2705 -8.2705 -8.1598 -8.1598 -2.0762 -2.0762 -2.0491 -2.0491 0.4437 0.4437 0.5227 0.5227 1.2811 1.2811 1.7270 1.7270 2.1747 2.1747 2.1980 2.1980 2.5783 2.5783 4.0843 4.0843 4.0926 4.0926 4.1439 4.1439 4.1539 4.1539 4.5200 4.5200 4.5207 4.5207 4.7684 4.7684 4.7776 4.7776 5.0292 5.0292 10.9381 10.9381 10.9399 10.9399 12.5059 12.5059 12.6377 12.6377 13.2464 13.2464 13.9194 13.9194 k = 0.3333 0.5774 0.0655 ( 4734 PWs) bands (ev): -26.6334 -26.6334 -13.3055 -13.3055 -13.2876 -13.2876 -12.1878 -12.1878 -11.2310 -11.2310 -11.2231 -11.2231 -10.7398 -10.7398 -9.3007 -9.3007 -8.2647 -8.2647 -8.1531 -8.1531 -2.0789 -2.0789 -2.0515 -2.0515 0.4335 0.4335 0.5130 0.5130 1.2669 1.2669 1.7264 1.7264 2.1763 2.1763 2.2001 2.2001 2.5799 2.5799 4.0702 4.0702 4.0787 4.0787 4.1439 4.1439 4.1770 4.1770 4.5408 4.5408 4.5410 4.5410 4.7811 4.7811 4.7899 4.7899 5.0224 5.0224 10.9440 10.9440 10.9464 10.9464 12.4962 12.4962 12.6311 12.6311 13.2502 13.2502 13.9100 13.9101 k = 0.3333 0.5774 0.0819 ( 4734 PWs) bands (ev): -26.6334 -26.6334 -13.3036 -13.3036 -13.2854 -13.2854 -12.1842 -12.1842 -11.2384 -11.2384 -11.2286 -11.2286 -10.7489 -10.7489 -9.2926 -9.2926 -8.2586 -8.2586 -8.1466 -8.1466 -2.0815 -2.0815 -2.0539 -2.0539 0.4237 0.4237 0.5036 0.5036 1.2525 1.2525 1.7259 1.7259 2.1776 2.1776 2.2020 2.2020 2.5826 2.5826 4.0570 4.0570 4.0658 4.0658 4.1437 4.1437 4.1992 4.1992 4.5603 4.5603 4.5613 4.5613 4.7931 4.7931 4.8014 4.8014 5.0161 5.0161 10.9499 10.9499 10.9529 10.9529 12.4884 12.4884 12.6262 12.6262 13.2558 13.2558 13.8986 13.8986 k = 0.3333 0.5774 0.0983 ( 4734 PWs) bands (ev): -26.6334 -26.6334 -13.3016 -13.3016 -13.2830 -13.2830 -12.1810 -12.1810 -11.2463 -11.2463 -11.2344 -11.2344 -10.7571 -10.7571 -9.2846 -9.2846 -8.2524 -8.2524 -8.1405 -8.1405 -2.0840 -2.0840 -2.0561 -2.0561 0.4143 0.4143 0.4947 0.4947 1.2381 1.2381 1.7257 1.7257 2.1786 2.1786 2.2037 2.2037 2.5861 2.5861 4.0448 4.0448 4.0539 4.0539 4.1432 4.1432 4.2203 4.2203 4.5790 4.5790 4.5809 4.5809 4.8043 4.8043 4.8121 4.8121 5.0104 5.0104 10.9558 10.9558 10.9595 10.9595 12.4829 12.4829 12.6233 12.6233 13.2630 13.2630 13.8814 13.8816 k = 0.3333 0.5774 0.1146 ( 4734 PWs) bands (ev): -26.6334 -26.6334 -13.2993 -13.2993 -13.2805 -13.2805 -12.1782 -12.1782 -11.2546 -11.2546 -11.2406 -11.2406 -10.7644 -10.7644 -9.2767 -9.2767 -8.2462 -8.2462 -8.1347 -8.1347 -2.0862 -2.0862 -2.0582 -2.0582 0.4056 0.4056 0.4862 0.4862 1.2239 1.2239 1.7255 1.7255 2.1791 2.1791 2.2052 2.2052 2.5904 2.5904 4.0336 4.0336 4.0432 4.0432 4.1424 4.1424 4.2404 4.2404 4.5969 4.5969 4.5996 4.5996 4.8145 4.8145 4.8218 4.8218 5.0053 5.0053 10.9616 10.9616 10.9660 10.9660 12.4796 12.4796 12.6224 12.6224 13.2717 13.2717 13.8509 13.8530 k = 0.3333 0.5774 0.1310 ( 4728 PWs) bands (ev): -26.6334 -26.6334 -13.2969 -13.2969 -13.2777 -13.2777 -12.1758 -12.1758 -11.2631 -11.2631 -11.2471 -11.2471 -10.7707 -10.7707 -9.2692 -9.2692 -8.2400 -8.2400 -8.1293 -8.1293 -2.0883 -2.0883 -2.0601 -2.0601 0.3975 0.3975 0.4785 0.4785 1.2101 1.2101 1.7256 1.7256 2.1793 2.1793 2.2063 2.2063 2.5952 2.5952 4.0236 4.0236 4.0336 4.0336 4.1415 4.1415 4.2592 4.2592 4.6140 4.6140 4.6174 4.6174 4.8237 4.8237 4.8303 4.8303 5.0007 5.0007 10.9672 10.9672 10.9724 10.9724 12.4787 12.4787 12.6237 12.6237 13.2819 13.2819 13.7965 13.7968 k = 0.3333 0.5774 0.1474 ( 4725 PWs) bands (ev): -26.6334 -26.6334 -13.2944 -13.2944 -13.2748 -13.2748 -12.1739 -12.1739 -11.2718 -11.2718 -11.2537 -11.2537 -10.7760 -10.7760 -9.2620 -9.2620 -8.2338 -8.2338 -8.1245 -8.1245 -2.0901 -2.0901 -2.0618 -2.0618 0.3902 0.3902 0.4714 0.4714 1.1969 1.1969 1.7258 1.7258 2.1790 2.1790 2.2071 2.2071 2.6004 2.6004 4.0148 4.0148 4.0252 4.0252 4.1403 4.1403 4.2768 4.2768 4.6301 4.6301 4.6343 4.6343 4.8314 4.8314 4.8375 4.8375 4.9966 4.9966 10.9728 10.9728 10.9788 10.9788 12.4803 12.4803 12.6272 12.6272 13.2935 13.2935 13.7465 13.7467 k = 0.3333 0.5774 0.1638 ( 4719 PWs) bands (ev): -26.6334 -26.6334 -13.2918 -13.2918 -13.2718 -13.2718 -12.1725 -12.1725 -11.2805 -11.2805 -11.2604 -11.2604 -10.7801 -10.7801 -9.2552 -9.2552 -8.2278 -8.2278 -8.1201 -8.1201 -2.0917 -2.0917 -2.0633 -2.0633 0.3837 0.3837 0.4651 0.4651 1.1844 1.1844 1.7261 1.7261 2.1782 2.1782 2.2076 2.2076 2.6058 2.6058 4.0072 4.0072 4.0181 4.0181 4.1390 4.1390 4.2932 4.2932 4.6452 4.6452 4.6502 4.6502 4.8377 4.8377 4.8432 4.8432 4.9930 4.9930 10.9782 10.9782 10.9850 10.9850 12.4842 12.4842 12.6329 12.6329 13.3064 13.3064 13.6972 13.6976 k = 0.3333 0.5774 0.1801 ( 4728 PWs) bands (ev): -26.6334 -26.6334 -13.2890 -13.2890 -13.2688 -13.2688 -12.1716 -12.1716 -11.2892 -11.2892 -11.2672 -11.2672 -10.7831 -10.7831 -9.2490 -9.2490 -8.2221 -8.2221 -8.1164 -8.1164 -2.0930 -2.0930 -2.0645 -2.0645 0.3781 0.3781 0.4596 0.4596 1.1728 1.1728 1.7266 1.7266 2.1770 2.1770 2.2077 2.2077 2.6114 2.6114 4.0009 4.0009 4.0123 4.0123 4.1375 4.1375 4.3084 4.3084 4.6593 4.6593 4.6650 4.6650 4.8424 4.8424 4.8473 4.8473 4.9899 4.9899 10.9835 10.9835 10.9911 10.9911 12.4905 12.4905 12.6407 12.6407 13.3205 13.3205 13.6497 13.6499 k = 0.3333 0.5774 0.1965 ( 4728 PWs) bands (ev): -26.6334 -26.6334 -13.2863 -13.2863 -13.2657 -13.2657 -12.1712 -12.1712 -11.2978 -11.2978 -11.2739 -11.2739 -10.7850 -10.7850 -9.2432 -9.2432 -8.2166 -8.2166 -8.1132 -8.1132 -2.0941 -2.0941 -2.0656 -2.0656 0.3734 0.3734 0.4551 0.4551 1.1622 1.1622 1.7273 1.7273 2.1754 2.1754 2.2074 2.2074 2.6169 2.6169 3.9958 3.9958 4.0077 4.0077 4.1358 4.1358 4.3222 4.3222 4.6722 4.6722 4.6787 4.6787 4.8453 4.8453 4.8497 4.8497 4.9871 4.9871 10.9888 10.9888 10.9970 10.9970 12.4991 12.4991 12.6506 12.6506 13.3357 13.3357 13.6040 13.6041 k = 0.3333 0.5774 0.2129 ( 4752 PWs) bands (ev): -26.6334 -26.6334 -13.2835 -13.2835 -13.2625 -13.2625 -12.1714 -12.1714 -11.3062 -11.3062 -11.2806 -11.2806 -10.7856 -10.7856 -9.2381 -9.2381 -8.2115 -8.2115 -8.1107 -8.1107 -2.0948 -2.0948 -2.0663 -2.0663 0.3696 0.3696 0.4514 0.4514 1.1526 1.1526 1.7280 1.7280 2.1734 2.1734 2.2068 2.2068 2.6223 2.6223 3.9921 3.9921 4.0045 4.0045 4.1340 4.1340 4.3348 4.3348 4.6840 4.6840 4.6913 4.6913 4.8463 4.8463 4.8504 4.8504 4.9845 4.9845 10.9939 10.9939 11.0027 11.0027 12.5099 12.5099 12.6626 12.6626 13.3520 13.3520 13.5601 13.5602 k = 0.3333 0.5774 0.2293 ( 4752 PWs) bands (ev): -26.6333 -26.6333 -13.2807 -13.2807 -13.2594 -13.2594 -12.1721 -12.1721 -11.3143 -11.3143 -11.2871 -11.2871 -10.7851 -10.7851 -9.2337 -9.2337 -8.2068 -8.2068 -8.1089 -8.1089 -2.0953 -2.0953 -2.0668 -2.0668 0.3669 0.3669 0.4487 0.4487 1.1442 1.1442 1.7289 1.7289 2.1709 2.1709 2.2058 2.2058 2.6275 2.6275 3.9897 3.9897 4.0026 4.0026 4.1321 4.1321 4.3461 4.3461 4.6944 4.6944 4.7026 4.7026 4.8455 4.8455 4.8494 4.8494 4.9823 4.9823 10.9989 10.9989 11.0083 11.0083 12.5227 12.5227 12.6764 12.6764 13.3692 13.3692 13.5184 13.5185 k = 0.3333 0.5774 0.2456 ( 4752 PWs) bands (ev): -26.6333 -26.6333 -13.2780 -13.2780 -13.2564 -13.2564 -12.1734 -12.1734 -11.3221 -11.3221 -11.2933 -11.2933 -10.7834 -10.7834 -9.2300 -9.2300 -8.2025 -8.2025 -8.1078 -8.1078 -2.0954 -2.0954 -2.0670 -2.0670 0.3652 0.3652 0.4470 0.4470 1.1371 1.1371 1.7299 1.7299 2.1681 2.1681 2.2045 2.2045 2.6325 2.6325 3.9885 3.9885 4.0019 4.0019 4.1301 4.1301 4.3561 4.3561 4.7033 4.7033 4.7127 4.7127 4.8429 4.8429 4.8468 4.8468 4.9802 4.9802 11.0039 11.0039 11.0137 11.0137 12.5373 12.5373 12.6919 12.6919 13.3871 13.3871 13.4790 13.4791 k = 0.3333 0.5774 0.2620 ( 4755 PWs) bands (ev): -26.6333 -26.6333 -13.2753 -13.2753 -13.2534 -13.2534 -12.1751 -12.1751 -11.3293 -11.3293 -11.2992 -11.2992 -10.7805 -10.7805 -9.2270 -9.2270 -8.1987 -8.1987 -8.1073 -8.1073 -2.0952 -2.0952 -2.0670 -2.0670 0.3645 0.3645 0.4462 0.4462 1.1312 1.1312 1.7310 1.7310 2.1651 2.1651 2.2029 2.2029 2.6372 2.6372 3.9887 3.9887 4.0026 4.0026 4.1280 4.1280 4.3647 4.3647 4.7106 4.7106 4.7212 4.7212 4.8385 4.8385 4.8428 4.8428 4.9784 4.9784 11.0087 11.0087 11.0188 11.0188 12.5536 12.5536 12.7089 12.7089 13.4057 13.4057 13.4423 13.4423 k = 0.3333 0.5774 0.2784 ( 4746 PWs) bands (ev): -26.6333 -26.6333 -13.2727 -13.2727 -13.2506 -13.2506 -12.1774 -12.1774 -11.3360 -11.3360 -11.3048 -11.3048 -10.7765 -10.7765 -9.2248 -9.2248 -8.1954 -8.1954 -8.1076 -8.1076 -2.0947 -2.0947 -2.0667 -2.0667 0.3649 0.3649 0.4465 0.4465 1.1268 1.1268 1.7321 1.7321 2.1617 2.1617 2.2011 2.2011 2.6415 2.6415 3.9901 3.9901 4.0044 4.0044 4.1259 4.1259 4.3717 4.3717 4.7159 4.7159 4.7279 4.7279 4.8327 4.8327 4.8376 4.8376 4.9768 4.9768 11.0133 11.0133 11.0236 11.0236 12.5713 12.5713 12.7271 12.7271 13.4084 13.4084 13.4215 13.4223 k = 0.3333 0.5774 0.2948 ( 4752 PWs) bands (ev): -26.6333 -26.6333 -13.2703 -13.2703 -13.2479 -13.2479 -12.1801 -12.1801 -11.3421 -11.3421 -11.3099 -11.3099 -10.7715 -10.7715 -9.2233 -9.2233 -8.1927 -8.1927 -8.1085 -8.1085 -2.0939 -2.0939 -2.0661 -2.0661 0.3663 0.3663 0.4477 0.4477 1.1236 1.1236 1.7333 1.7333 2.1581 2.1581 2.1990 2.1990 2.6455 2.6455 3.9928 3.9928 4.0075 4.0075 4.1237 4.1237 4.3770 4.3770 4.7187 4.7187 4.7323 4.7323 4.8259 4.8259 4.8317 4.8317 4.9756 4.9756 11.0177 11.0177 11.0280 11.0280 12.5903 12.5903 12.7464 12.7464 13.3775 13.3775 13.3972 13.3972 k = 0.3333 0.5774 0.3111 ( 4752 PWs) bands (ev): -26.6333 -26.6333 -13.2680 -13.2680 -13.2454 -13.2454 -12.1832 -12.1832 -11.3476 -11.3476 -11.3145 -11.3145 -10.7654 -10.7654 -9.2227 -9.2227 -8.1906 -8.1906 -8.1101 -8.1101 -2.0928 -2.0928 -2.0652 -2.0652 0.3686 0.3686 0.4499 0.4499 1.1219 1.1219 1.7345 1.7345 2.1544 2.1544 2.1968 2.1968 2.6491 2.6491 3.9966 3.9966 4.0117 4.0117 4.1215 4.1215 4.3805 4.3805 4.7185 4.7185 4.7338 4.7338 4.8187 4.8187 4.8257 4.8257 4.9748 4.9748 11.0218 11.0218 11.0320 11.0320 12.6101 12.6101 12.7663 12.7663 13.3499 13.3499 13.3692 13.3692 k = 0.3333 0.5774 0.3275 ( 4770 PWs) bands (ev): -26.6332 -26.6332 -13.2660 -13.2660 -13.2432 -13.2432 -12.1867 -12.1867 -11.3523 -11.3523 -11.3186 -11.3186 -10.7583 -10.7583 -9.2230 -9.2230 -8.1891 -8.1891 -8.1124 -8.1124 -2.0913 -2.0913 -2.0641 -2.0641 0.3720 0.3720 0.4530 0.4530 1.1215 1.1215 1.7357 1.7357 2.1507 2.1507 2.1944 2.1944 2.6524 2.6524 4.0015 4.0015 4.0170 4.0170 4.1193 4.1193 4.3820 4.3820 4.7147 4.7147 4.7315 4.7315 4.8122 4.8122 4.8202 4.8202 4.9746 4.9746 11.0255 11.0255 11.0354 11.0354 12.6305 12.6305 12.7865 12.7865 13.3259 13.3259 13.3447 13.3447 k = 0.3333 0.5774 0.3439 ( 4782 PWs) bands (ev): -26.6332 -26.6332 -13.2641 -13.2641 -13.2412 -13.2412 -12.1905 -12.1905 -11.3562 -11.3562 -11.3221 -11.3221 -10.7504 -10.7504 -9.2240 -9.2240 -8.1882 -8.1882 -8.1154 -8.1154 -2.0897 -2.0897 -2.0627 -2.0627 0.3763 0.3763 0.4570 0.4570 1.1225 1.1225 1.7370 1.7370 2.1469 2.1469 2.1920 2.1920 2.6555 2.6555 4.0076 4.0076 4.0234 4.0234 4.1172 4.1172 4.3812 4.3812 4.7070 4.7070 4.7247 4.7247 4.8071 4.8071 4.8157 4.8157 4.9751 4.9751 11.0287 11.0287 11.0382 11.0382 12.6513 12.6513 12.8066 12.8066 13.3057 13.3057 13.3244 13.3244 k = 0.3333 0.5774 0.3603 ( 4785 PWs) bands (ev): -26.6332 -26.6332 -13.2625 -13.2625 -13.2394 -13.2394 -12.1946 -12.1946 -11.3594 -11.3594 -11.3250 -11.3250 -10.7417 -10.7417 -9.2259 -9.2259 -8.1880 -8.1880 -8.1189 -8.1189 -2.0877 -2.0877 -2.0611 -2.0611 0.3815 0.3815 0.4618 0.4618 1.1248 1.1248 1.7383 1.7383 2.1431 2.1431 2.1895 2.1895 2.6584 2.6584 4.0146 4.0146 4.0307 4.0307 4.1151 4.1151 4.3779 4.3779 4.6954 4.6954 4.7132 4.7132 4.8037 4.8037 4.8123 4.8123 4.9764 4.9764 11.0314 11.0314 11.0403 11.0403 12.6721 12.6721 12.8262 12.8262 13.2897 13.2897 13.3087 13.3087 k = 0.3333 0.5774 0.3767 ( 4779 PWs) bands (ev): -26.6332 -26.6332 -13.2611 -13.2611 -13.2380 -13.2380 -12.1990 -12.1990 -11.3616 -11.3616 -11.3272 -11.3272 -10.7322 -10.7322 -9.2286 -9.2286 -8.1884 -8.1884 -8.1231 -8.1231 -2.0855 -2.0855 -2.0593 -2.0593 0.3876 0.3876 0.4674 0.4674 1.1284 1.1284 1.7395 1.7395 2.1395 2.1395 2.1871 2.1871 2.6611 2.6611 4.0227 4.0227 4.0390 4.0390 4.1131 4.1131 4.3720 4.3720 4.6802 4.6802 4.6975 4.6975 4.8015 4.8015 4.8097 4.8097 4.9788 4.9788 11.0333 11.0333 11.0416 11.0416 12.6925 12.6925 12.8445 12.8445 13.2780 13.2780 13.2981 13.2981 k = 0.3333 0.5774 0.3930 ( 4767 PWs) bands (ev): -26.6332 -26.6332 -13.2600 -13.2600 -13.2369 -13.2369 -12.2035 -12.2035 -11.3630 -11.3630 -11.3288 -11.3288 -10.7221 -10.7221 -9.2320 -9.2320 -8.1894 -8.1894 -8.1278 -8.1278 -2.0832 -2.0832 -2.0572 -2.0572 0.3944 0.3944 0.4738 0.4738 1.1333 1.1333 1.7407 1.7407 2.1360 2.1360 2.1847 2.1847 2.6637 2.6637 4.0316 4.0316 4.0482 4.0482 4.1113 4.1113 4.3633 4.3633 4.6620 4.6620 4.6786 4.6786 4.7999 4.7999 4.8075 4.8075 4.9822 4.9822 11.0345 11.0345 11.0421 11.0421 12.7122 12.7122 12.8613 12.8613 13.2711 13.2711 13.2930 13.2930 k = 0.3333 0.5774 0.4094 ( 4767 PWs) bands (ev): -26.6332 -26.6332 -13.2592 -13.2592 -13.2361 -13.2361 -12.2081 -12.2081 -11.3636 -11.3636 -11.3296 -11.3296 -10.7115 -10.7115 -9.2362 -9.2362 -8.1911 -8.1911 -8.1329 -8.1329 -2.0806 -2.0806 -2.0551 -2.0551 0.4020 0.4020 0.4809 0.4809 1.1393 1.1393 1.7419 1.7419 2.1327 2.1327 2.1825 2.1825 2.6663 2.6663 4.0414 4.0414 4.0581 4.0581 4.1096 4.1096 4.3518 4.3518 4.6413 4.6413 4.6571 4.6571 4.7983 4.7983 4.8054 4.8054 4.9868 4.9868 11.0348 11.0348 11.0416 11.0416 12.7309 12.7309 12.8759 12.8759 13.2690 13.2690 13.2938 13.2938 k = 0.3333 0.5774 0.4258 ( 4767 PWs) bands (ev): -26.6332 -26.6332 -13.2586 -13.2586 -13.2356 -13.2356 -12.2128 -12.2128 -11.3632 -11.3632 -11.3298 -11.3298 -10.7005 -10.7005 -9.2412 -9.2412 -8.1933 -8.1933 -8.1386 -8.1386 -2.0779 -2.0779 -2.0527 -2.0527 0.4102 0.4102 0.4886 0.4886 1.1464 1.1464 1.7430 1.7430 2.1298 2.1298 2.1804 2.1804 2.6689 2.6689 4.0519 4.0519 4.0688 4.0688 4.1080 4.1080 4.3374 4.3374 4.6187 4.6187 4.6336 4.6336 4.7964 4.7964 4.8031 4.8031 4.9926 4.9926 11.0342 11.0342 11.0402 11.0402 12.7481 12.7481 12.8881 12.8881 13.2721 13.2721 13.3007 13.3007 k = 0.3333 0.5774 0.4422 ( 4761 PWs) bands (ev): -26.6332 -26.6332 -13.2584 -13.2584 -13.2355 -13.2355 -12.2174 -12.2174 -11.3620 -11.3620 -11.3292 -11.3292 -10.6892 -10.6892 -9.2467 -9.2467 -8.1961 -8.1961 -8.1446 -8.1446 -2.0750 -2.0750 -2.0503 -2.0503 0.4189 0.4189 0.4968 0.4968 1.1545 1.1545 1.7440 1.7440 2.1271 2.1271 2.1785 2.1785 2.6717 2.6717 4.0631 4.0631 4.0801 4.0801 4.1066 4.1066 4.3201 4.3201 4.5947 4.5947 4.6087 4.6087 4.7938 4.7938 4.8003 4.8003 4.9995 4.9995 11.0326 11.0326 11.0378 11.0378 12.7636 12.7636 12.8976 12.8976 13.2805 13.2805 13.3137 13.3137 k = 0.3333 0.5774 0.4585 ( 4761 PWs) bands (ev): -26.6332 -26.6332 -13.2585 -13.2585 -13.2357 -13.2357 -12.2221 -12.2221 -11.3598 -11.3598 -11.3279 -11.3279 -10.6777 -10.6777 -9.2529 -9.2529 -8.1995 -8.1995 -8.1509 -8.1509 -2.0721 -2.0721 -2.0477 -2.0477 0.4282 0.4282 0.5055 0.5055 1.1635 1.1635 1.7450 1.7450 2.1248 2.1248 2.1768 2.1768 2.6746 2.6746 4.0749 4.0749 4.0920 4.0920 4.1054 4.1054 4.3003 4.3003 4.5695 4.5695 4.5826 4.5826 4.7905 4.7905 4.7968 4.7968 5.0074 5.0074 11.0300 11.0300 11.0344 11.0344 12.7772 12.7772 12.9046 12.9046 13.2942 13.2942 13.3325 13.3325 k = 0.3333 0.5774 0.4749 ( 4758 PWs) bands (ev): -26.6332 -26.6332 -13.2589 -13.2589 -13.2363 -13.2363 -12.2266 -12.2266 -11.3569 -11.3569 -11.3259 -11.3259 -10.6662 -10.6662 -9.2597 -9.2597 -8.2034 -8.2034 -8.1575 -8.1575 -2.0691 -2.0691 -2.0451 -2.0451 0.4378 0.4378 0.5145 0.5145 1.1733 1.1733 1.7458 1.7458 2.1229 2.1229 2.1753 2.1753 2.6777 2.6777 4.0872 4.0872 4.1044 4.1044 4.1045 4.1045 4.2779 4.2779 4.5436 4.5436 4.5558 4.5558 4.7863 4.7863 4.7925 4.7925 5.0162 5.0162 11.0264 11.0264 11.0301 11.0301 12.7888 12.7888 12.9093 12.9093 13.3131 13.3131 13.3567 13.3567 k = 0.3333 0.5774 0.4913 ( 4752 PWs) bands (ev): -26.6331 -26.6331 -13.2596 -13.2596 -13.2372 -13.2372 -12.2310 -12.2310 -11.3530 -11.3530 -11.3233 -11.3233 -10.6547 -10.6547 -9.2669 -9.2669 -8.2077 -8.2077 -8.1642 -8.1642 -2.0661 -2.0661 -2.0425 -2.0425 0.4477 0.4477 0.5238 0.5238 1.1838 1.1838 1.7466 1.7466 2.1213 2.1213 2.1740 2.1740 2.6811 2.6811 4.0997 4.0997 4.1039 4.1039 4.1173 4.1173 4.2533 4.2533 4.5173 4.5173 4.5286 4.5286 4.7813 4.7813 4.7875 4.7875 5.0257 5.0257 11.0219 11.0219 11.0248 11.0248 12.7985 12.7985 12.9121 12.9121 13.3371 13.3371 13.3858 13.3858 Writing output data file SrxSbO3x2.save init_run : 0.57s CPU 0.80s WALL ( 1 calls) electrons : 357.46s CPU 362.09s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.03s WALL ( 1 calls) potinit : 0.02s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 357.46s CPU 362.08s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.08s CPU 0.11s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.09s WALL ( 289 calls) cegterg : 340.70s CPU 344.71s WALL ( 732 calls) Called by sum_band: Called by *egterg: h_psi : 170.41s CPU 172.81s WALL ( 13344 calls) s_psi : 10.77s CPU 10.88s WALL ( 13344 calls) g_psi : 0.45s CPU 0.45s WALL ( 12323 calls) cdiaghg : 133.42s CPU 135.44s WALL ( 12612 calls) cegterg:over : 14.35s CPU 14.49s WALL ( 12323 calls) cegterg:upda : 13.18s CPU 12.99s WALL ( 12323 calls) cegterg:last : 5.82s CPU 5.78s WALL ( 1599 calls) cdiaghg:chol : 7.53s CPU 7.69s WALL ( 12612 calls) cdiaghg:inve : 5.39s CPU 5.56s WALL ( 12612 calls) cdiaghg:para : 9.28s CPU 9.25s WALL ( 25224 calls) Called by h_psi: h_psi:vloc : 144.94s CPU 147.28s WALL ( 13344 calls) h_psi:vnl : 25.04s CPU 25.01s WALL ( 13344 calls) add_vuspsi : 12.96s CPU 12.88s WALL ( 13344 calls) General routines calbec : 12.02s CPU 12.10s WALL ( 13344 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 136.08s CPU 137.82s WALL ( 1343184 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.20s CPU 0.26s WALL ( 578 calls) Parallel routines fft_scatter : 44.04s CPU 44.39s WALL ( 1343207 calls) PWSCF : 6m17.50s CPU 6m36.54s WALL This run was terminated on: 21: 8: 2 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. 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