Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21: 1:45 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: ./Sb2PbO6.save/ file Pb.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 5D renormalized file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 62 35 10 2414 1055 166 Max 63 36 11 2419 1074 171 Sum 2233 1285 379 86939 38337 6017 bravais-lattice index = 14 lattice parameter (alat) = 10.0167 a.u. unit-cell volume = 883.2729 (a.u.)^3 number of atoms/cell = 9 number of atomic types = 3 number of electrons = 60.00 number of Kohn-Sham states= 72 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)= 10.016682 celldm(2)= 1.000000 celldm(3)= 1.014829 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 1.014829 ) 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 0.985388 ) 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 Pb read from file: /users/gautes/Pseudo/Pb.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 75f9fe62f948a5acf869e43db2c29526 Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1281 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Sb read from file: /users/gautes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Pb 14.00 207.20000 Pb( 1.00) Sb 5.00 121.76000 Sb( 1.00) 12 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,1,0] cryst. s( 2) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 5) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [2,1,0] cryst. s( 6) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 8) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 8) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [1,-1,0] cryst. s(11) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(11) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(12) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(12) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 -6 -5 180 deg rotation - cart. axis [0,1,0] 3C2' 5 6 -2 180 deg rotation - cryst. axis [1,-1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 -12 -11 inv. 180 deg rotation - cart. axis [0,1,0] 3s_v 11 12 -8 inv. 180 deg rotation - cryst. axis [1,-1,0] Cartesian axes number of k points= 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 0.0164231), wk = 0.0034602 k( 101) = ( 0.0000000 0.0000000 0.0328463), wk = 0.0034602 k( 102) = ( 0.0000000 0.0000000 0.0492694), wk = 0.0034602 k( 103) = ( 0.0000000 0.0000000 0.0656925), wk = 0.0034602 k( 104) = ( 0.0000000 0.0000000 0.0821157), wk = 0.0034602 k( 105) = ( 0.0000000 0.0000000 0.0985388), wk = 0.0034602 k( 106) = ( 0.0000000 0.0000000 0.1149620), wk = 0.0034602 k( 107) = ( 0.0000000 0.0000000 0.1313851), wk = 0.0034602 k( 108) = ( 0.0000000 0.0000000 0.1478082), wk = 0.0034602 k( 109) = ( 0.0000000 0.0000000 0.1642314), wk = 0.0034602 k( 110) = ( 0.0000000 0.0000000 0.1806545), wk = 0.0034602 k( 111) = ( 0.0000000 0.0000000 0.1970776), wk = 0.0034602 k( 112) = ( 0.0000000 0.0000000 0.2135008), wk = 0.0034602 k( 113) = ( 0.0000000 0.0000000 0.2299239), wk = 0.0034602 k( 114) = ( 0.0000000 0.0000000 0.2463470), wk = 0.0034602 k( 115) = ( 0.0000000 0.0000000 0.2627702), wk = 0.0034602 k( 116) = ( 0.0000000 0.0000000 0.2791933), wk = 0.0034602 k( 117) = ( 0.0000000 0.0000000 0.2956164), wk = 0.0034602 k( 118) = ( 0.0000000 0.0000000 0.3120396), wk = 0.0034602 k( 119) = ( 0.0000000 0.0000000 0.3284627), wk = 0.0034602 k( 120) = ( 0.0000000 0.0000000 0.3448859), wk = 0.0034602 k( 121) = ( 0.0000000 0.0000000 0.3613090), wk = 0.0034602 k( 122) = ( 0.0000000 0.0000000 0.3777321), wk = 0.0034602 k( 123) = ( 0.0000000 0.0000000 0.3941553), wk = 0.0034602 k( 124) = ( 0.0000000 0.0000000 0.4105784), wk = 0.0034602 k( 125) = ( 0.0000000 0.0000000 0.4270015), wk = 0.0034602 k( 126) = ( 0.0000000 0.0000000 0.4434247), wk = 0.0034602 k( 127) = ( 0.0000000 0.0000000 0.4598478), wk = 0.0034602 k( 128) = ( 0.0000000 0.0000000 0.4762709), wk = 0.0034602 k( 129) = ( 0.0000000 0.0000000 0.4926941), wk = 0.0034602 k( 130) = ( 0.0000000 0.0000000 0.4926941), wk = 0.0034602 k( 131) = ( 0.0142857 0.0082479 0.4926941), wk = 0.0034602 k( 132) = ( 0.0285714 0.0164957 0.4926941), wk = 0.0034602 k( 133) = ( 0.0428571 0.0247436 0.4926941), wk = 0.0034602 k( 134) = ( 0.0571429 0.0329914 0.4926941), wk = 0.0034602 k( 135) = ( 0.0714286 0.0412393 0.4926941), wk = 0.0034602 k( 136) = ( 0.0857143 0.0494872 0.4926941), wk = 0.0034602 k( 137) = ( 0.1000000 0.0577350 0.4926941), wk = 0.0034602 k( 138) = ( 0.1142857 0.0659829 0.4926941), wk = 0.0034602 k( 139) = ( 0.1285714 0.0742307 0.4926941), wk = 0.0034602 k( 140) = ( 0.1428571 0.0824786 0.4926941), wk = 0.0034602 k( 141) = ( 0.1571429 0.0907265 0.4926941), wk = 0.0034602 k( 142) = ( 0.1714286 0.0989743 0.4926941), wk = 0.0034602 k( 143) = ( 0.1857143 0.1072222 0.4926941), wk = 0.0034602 k( 144) = ( 0.2000000 0.1154701 0.4926941), wk = 0.0034602 k( 145) = ( 0.2142857 0.1237179 0.4926941), wk = 0.0034602 k( 146) = ( 0.2285714 0.1319658 0.4926941), wk = 0.0034602 k( 147) = ( 0.2428571 0.1402136 0.4926941), wk = 0.0034602 k( 148) = ( 0.2571429 0.1484615 0.4926941), wk = 0.0034602 k( 149) = ( 0.2714286 0.1567094 0.4926941), wk = 0.0034602 k( 150) = ( 0.2857143 0.1649572 0.4926941), wk = 0.0034602 k( 151) = ( 0.3000000 0.1732051 0.4926941), wk = 0.0034602 k( 152) = ( 0.3142857 0.1814529 0.4926941), wk = 0.0034602 k( 153) = ( 0.3285714 0.1897008 0.4926941), wk = 0.0034602 k( 154) = ( 0.3428571 0.1979487 0.4926941), wk = 0.0034602 k( 155) = ( 0.3571429 0.2061965 0.4926941), wk = 0.0034602 k( 156) = ( 0.3714286 0.2144444 0.4926941), wk = 0.0034602 k( 157) = ( 0.3857143 0.2226922 0.4926941), wk = 0.0034602 k( 158) = ( 0.4000000 0.2309401 0.4926941), wk = 0.0034602 k( 159) = ( 0.4142857 0.2391880 0.4926941), wk = 0.0034602 k( 160) = ( 0.4285714 0.2474358 0.4926941), wk = 0.0034602 k( 161) = ( 0.4428571 0.2556837 0.4926941), wk = 0.0034602 k( 162) = ( 0.4571429 0.2639316 0.4926941), wk = 0.0034602 k( 163) = ( 0.4714286 0.2721794 0.4926941), wk = 0.0034602 k( 164) = ( 0.4857143 0.2804273 0.4926941), wk = 0.0034602 k( 165) = ( 0.5000000 0.2886751 0.4926941), wk = 0.0034602 k( 166) = ( 0.5000000 0.2886751 0.4926941), wk = 0.0034602 k( 167) = ( 0.4916667 0.3031089 0.4926941), wk = 0.0034602 k( 168) = ( 0.4833333 0.3175426 0.4926941), wk = 0.0034602 k( 169) = ( 0.4750000 0.3319764 0.4926941), wk = 0.0034602 k( 170) = ( 0.4666667 0.3464102 0.4926941), wk = 0.0034602 k( 171) = ( 0.4583333 0.3608439 0.4926941), wk = 0.0034602 k( 172) = ( 0.4500000 0.3752777 0.4926941), wk = 0.0034602 k( 173) = ( 0.4416667 0.3897114 0.4926941), wk = 0.0034602 k( 174) = ( 0.4333333 0.4041452 0.4926941), wk = 0.0034602 k( 175) = ( 0.4250000 0.4185789 0.4926941), wk = 0.0034602 k( 176) = ( 0.4166667 0.4330127 0.4926941), wk = 0.0034602 k( 177) = ( 0.4083333 0.4474465 0.4926941), wk = 0.0034602 k( 178) = ( 0.4000000 0.4618802 0.4926941), wk = 0.0034602 k( 179) = ( 0.3916667 0.4763140 0.4926941), wk = 0.0034602 k( 180) = ( 0.3833333 0.4907477 0.4926941), wk = 0.0034602 k( 181) = ( 0.3750000 0.5051815 0.4926941), wk = 0.0034602 k( 182) = ( 0.3666667 0.5196152 0.4926941), wk = 0.0034602 k( 183) = ( 0.3583333 0.5340490 0.4926941), wk = 0.0034602 k( 184) = ( 0.3500000 0.5484828 0.4926941), wk = 0.0034602 k( 185) = ( 0.3416667 0.5629165 0.4926941), wk = 0.0034602 k( 186) = ( 0.3333333 0.5773503 0.4926941), wk = 0.0034602 k( 187) = ( 0.3333333 0.5773503 0.4926941), wk = 0.0034602 k( 188) = ( 0.3250000 0.5629165 0.4926941), wk = 0.0034602 k( 189) = ( 0.3166667 0.5484828 0.4926941), wk = 0.0034602 k( 190) = ( 0.3083333 0.5340490 0.4926941), wk = 0.0034602 k( 191) = ( 0.3000000 0.5196152 0.4926941), wk = 0.0034602 k( 192) = ( 0.2916667 0.5051815 0.4926941), wk = 0.0034602 k( 193) = ( 0.2833333 0.4907477 0.4926941), wk = 0.0034602 k( 194) = ( 0.2750000 0.4763140 0.4926941), wk = 0.0034602 k( 195) = ( 0.2666667 0.4618802 0.4926941), wk = 0.0034602 k( 196) = ( 0.2583333 0.4474465 0.4926941), wk = 0.0034602 k( 197) = ( 0.2500000 0.4330127 0.4926941), wk = 0.0034602 k( 198) = ( 0.2416667 0.4185790 0.4926941), wk = 0.0034602 k( 199) = ( 0.2333333 0.4041452 0.4926941), wk = 0.0034602 k( 200) = ( 0.2250000 0.3897114 0.4926941), wk = 0.0034602 k( 201) = ( 0.2166667 0.3752777 0.4926941), wk = 0.0034602 k( 202) = ( 0.2083333 0.3608439 0.4926941), wk = 0.0034602 k( 203) = ( 0.2000000 0.3464102 0.4926941), wk = 0.0034602 k( 204) = ( 0.1916667 0.3319764 0.4926941), wk = 0.0034602 k( 205) = ( 0.1833333 0.3175426 0.4926941), wk = 0.0034602 k( 206) = ( 0.1750000 0.3031089 0.4926941), wk = 0.0034602 k( 207) = ( 0.1666667 0.2886751 0.4926941), wk = 0.0034602 k( 208) = ( 0.1583333 0.2742414 0.4926941), wk = 0.0034602 k( 209) = ( 0.1500000 0.2598076 0.4926941), wk = 0.0034602 k( 210) = ( 0.1416667 0.2453739 0.4926941), wk = 0.0034602 k( 211) = ( 0.1333333 0.2309401 0.4926941), wk = 0.0034602 k( 212) = ( 0.1250000 0.2165064 0.4926941), wk = 0.0034602 k( 213) = ( 0.1166667 0.2020726 0.4926941), wk = 0.0034602 k( 214) = ( 0.1083333 0.1876388 0.4926941), wk = 0.0034602 k( 215) = ( 0.1000000 0.1732051 0.4926941), wk = 0.0034602 k( 216) = ( 0.0916667 0.1587713 0.4926941), wk = 0.0034602 k( 217) = ( 0.0833333 0.1443376 0.4926941), wk = 0.0034602 k( 218) = ( 0.0750000 0.1299038 0.4926941), wk = 0.0034602 k( 219) = ( 0.0666667 0.1154701 0.4926941), wk = 0.0034602 k( 220) = ( 0.0583333 0.1010363 0.4926941), wk = 0.0034602 k( 221) = ( 0.0500000 0.0866025 0.4926941), wk = 0.0034602 k( 222) = ( 0.0416667 0.0721688 0.4926941), wk = 0.0034602 k( 223) = ( 0.0333333 0.0577350 0.4926941), wk = 0.0034602 k( 224) = ( 0.0250000 0.0433013 0.4926941), wk = 0.0034602 k( 225) = ( 0.0166667 0.0288675 0.4926941), wk = 0.0034602 k( 226) = ( 0.0083333 0.0144338 0.4926941), wk = 0.0034602 k( 227) = ( 0.0000000 0.0000000 0.4926941), wk = 0.0034602 k( 228) = ( 0.5000000 0.2886751 0.4926941), wk = 0.0034602 k( 229) = ( 0.5000000 0.2886751 0.4762709), wk = 0.0034602 k( 230) = ( 0.5000000 0.2886751 0.4598478), wk = 0.0034602 k( 231) = ( 0.5000000 0.2886751 0.4434247), wk = 0.0034602 k( 232) = ( 0.5000000 0.2886751 0.4270015), wk = 0.0034602 k( 233) = ( 0.5000000 0.2886751 0.4105784), wk = 0.0034602 k( 234) = ( 0.5000000 0.2886751 0.3941553), wk = 0.0034602 k( 235) = ( 0.5000000 0.2886751 0.3777321), wk = 0.0034602 k( 236) = ( 0.5000000 0.2886751 0.3613090), wk = 0.0034602 k( 237) = ( 0.5000000 0.2886751 0.3448859), wk = 0.0034602 k( 238) = ( 0.5000000 0.2886751 0.3284627), wk = 0.0034602 k( 239) = ( 0.5000000 0.2886751 0.3120396), wk = 0.0034602 k( 240) = ( 0.5000000 0.2886751 0.2956164), wk = 0.0034602 k( 241) = ( 0.5000000 0.2886751 0.2791933), wk = 0.0034602 k( 242) = ( 0.5000000 0.2886751 0.2627702), wk = 0.0034602 k( 243) = ( 0.5000000 0.2886751 0.2463470), wk = 0.0034602 k( 244) = ( 0.5000000 0.2886751 0.2299239), wk = 0.0034602 k( 245) = ( 0.5000000 0.2886751 0.2135008), wk = 0.0034602 k( 246) = ( 0.5000000 0.2886751 0.1970776), wk = 0.0034602 k( 247) = ( 0.5000000 0.2886751 0.1806545), wk = 0.0034602 k( 248) = ( 0.5000000 0.2886751 0.1642314), wk = 0.0034602 k( 249) = ( 0.5000000 0.2886751 0.1478082), wk = 0.0034602 k( 250) = ( 0.5000000 0.2886751 0.1313851), wk = 0.0034602 k( 251) = ( 0.5000000 0.2886751 0.1149620), wk = 0.0034602 k( 252) = ( 0.5000000 0.2886751 0.0985388), wk = 0.0034602 k( 253) = ( 0.5000000 0.2886751 0.0821157), wk = 0.0034602 k( 254) = ( 0.5000000 0.2886751 0.0656925), wk = 0.0034602 k( 255) = ( 0.5000000 0.2886751 0.0492694), wk = 0.0034602 k( 256) = ( 0.5000000 0.2886751 0.0328463), wk = 0.0034602 k( 257) = ( 0.5000000 0.2886751 0.0164231), 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 0.0164231), wk = 0.0034602 k( 261) = ( 0.3333333 0.5773503 0.0328463), wk = 0.0034602 k( 262) = ( 0.3333333 0.5773503 0.0492694), wk = 0.0034602 k( 263) = ( 0.3333333 0.5773503 0.0656925), wk = 0.0034602 k( 264) = ( 0.3333333 0.5773503 0.0821157), wk = 0.0034602 k( 265) = ( 0.3333333 0.5773503 0.0985388), wk = 0.0034602 k( 266) = ( 0.3333333 0.5773503 0.1149620), wk = 0.0034602 k( 267) = ( 0.3333333 0.5773503 0.1313851), wk = 0.0034602 k( 268) = ( 0.3333333 0.5773503 0.1478082), wk = 0.0034602 k( 269) = ( 0.3333333 0.5773503 0.1642314), wk = 0.0034602 k( 270) = ( 0.3333333 0.5773503 0.1806545), wk = 0.0034602 k( 271) = ( 0.3333333 0.5773503 0.1970776), wk = 0.0034602 k( 272) = ( 0.3333333 0.5773503 0.2135008), wk = 0.0034602 k( 273) = ( 0.3333333 0.5773503 0.2299239), wk = 0.0034602 k( 274) = ( 0.3333333 0.5773503 0.2463470), wk = 0.0034602 k( 275) = ( 0.3333333 0.5773503 0.2627702), wk = 0.0034602 k( 276) = ( 0.3333333 0.5773503 0.2791933), wk = 0.0034602 k( 277) = ( 0.3333333 0.5773503 0.2956164), wk = 0.0034602 k( 278) = ( 0.3333333 0.5773503 0.3120396), wk = 0.0034602 k( 279) = ( 0.3333333 0.5773503 0.3284627), wk = 0.0034602 k( 280) = ( 0.3333333 0.5773503 0.3448859), wk = 0.0034602 k( 281) = ( 0.3333333 0.5773503 0.3613090), wk = 0.0034602 k( 282) = ( 0.3333333 0.5773503 0.3777321), wk = 0.0034602 k( 283) = ( 0.3333333 0.5773503 0.3941553), wk = 0.0034602 k( 284) = ( 0.3333333 0.5773503 0.4105784), wk = 0.0034602 k( 285) = ( 0.3333333 0.5773503 0.4270015), wk = 0.0034602 k( 286) = ( 0.3333333 0.5773503 0.4434247), wk = 0.0034602 k( 287) = ( 0.3333333 0.5773503 0.4598478), wk = 0.0034602 k( 288) = ( 0.3333333 0.5773503 0.4762709), wk = 0.0034602 k( 289) = ( 0.3333333 0.5773503 0.4926941), 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: 86939 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 38337 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.31 Mb ( 284, 72) NL pseudopotentials 0.40 Mb ( 142, 186) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 2416) G-vector shells 0.01 Mb ( 1148) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.25 Mb ( 284, 288) Each subspace H/S matrix 0.08 Mb ( 72, 72) Each matrix 0.41 Mb ( 186, 2, 72) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./Sb2PbO6.save/charge-density.dat Starting wfc are 82 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.3 secs Computing kpt #: 2 total cpu time spent up to now is 4.2 secs Computing kpt #: 3 total cpu time spent up to now is 5.1 secs Computing kpt #: 4 total cpu time spent up to now is 6.0 secs Computing kpt #: 5 total cpu time spent up to now is 6.9 secs Computing kpt #: 6 total cpu time spent up to now is 7.7 secs Computing kpt #: 7 total cpu time spent up to now is 8.6 secs Computing kpt #: 8 total cpu time spent up to now is 9.5 secs Computing kpt #: 9 total cpu time spent up to now is 10.3 secs Computing kpt #: 10 total cpu time spent up to now is 11.2 secs Computing kpt #: 11 total cpu time spent up to now is 12.4 secs Computing kpt #: 12 total cpu time spent up to now is 13.3 secs Computing kpt #: 13 total cpu time spent up to now is 14.2 secs Computing kpt #: 14 total cpu time spent up to now is 15.1 secs Computing kpt #: 15 total cpu time spent up to now is 16.1 secs Computing kpt #: 16 total cpu time spent up to now is 17.1 secs Computing kpt #: 17 total cpu time spent up to now is 18.2 secs Computing kpt #: 18 total cpu time spent up to now is 19.2 secs Computing kpt #: 19 total cpu time spent up to now is 20.0 secs Computing kpt #: 20 total cpu time spent up to now is 20.9 secs Computing kpt #: 21 total cpu time spent up to now is 21.8 secs Computing kpt #: 22 total cpu time spent up to now is 22.8 secs Computing kpt #: 23 total cpu time spent up to now is 23.8 secs Computing kpt #: 24 total cpu time spent up to now is 25.1 secs Computing kpt #: 25 total cpu time spent up to now is 26.3 secs Computing kpt #: 26 total cpu time spent up to now is 27.7 secs Computing kpt #: 27 total cpu time spent up to now is 29.1 secs Computing kpt #: 28 total cpu time spent up to now is 30.5 secs Computing kpt #: 29 total cpu time spent up to now is 31.8 secs Computing kpt #: 30 total cpu time spent up to now is 33.2 secs Computing kpt #: 31 total cpu time spent up to now is 34.6 secs Computing kpt #: 32 total cpu time spent up to now is 36.0 secs Computing kpt #: 33 total cpu time spent up to now is 37.3 secs Computing kpt #: 34 total cpu time spent up to now is 38.6 secs Computing kpt #: 35 total cpu time spent up to now is 39.8 secs Computing kpt #: 36 total cpu time spent up to now is 41.1 secs Computing kpt #: 37 total cpu time spent up to now is 42.5 secs Computing kpt #: 38 total cpu time spent up to now is 43.8 secs Computing kpt #: 39 total cpu time spent up to now is 45.1 secs Computing kpt #: 40 total cpu time spent up to now is 46.5 secs Computing kpt #: 41 total cpu time spent up to now is 47.8 secs Computing kpt #: 42 total cpu time spent up to now is 49.1 secs Computing kpt #: 43 total cpu time spent up to now is 50.4 secs Computing kpt #: 44 total cpu time spent up to now is 51.6 secs Computing kpt #: 45 total cpu time spent up to now is 53.0 secs Computing kpt #: 46 total cpu time spent up to now is 54.3 secs Computing kpt #: 47 total cpu time spent up to now is 55.5 secs Computing kpt #: 48 total cpu time spent up to now is 56.8 secs Computing kpt #: 49 total cpu time spent up to now is 58.0 secs Computing kpt #: 50 total cpu time spent up to now is 59.2 secs Computing kpt #: 51 total cpu time spent up to now is 60.5 secs Computing kpt #: 52 total cpu time spent up to now is 61.5 secs Computing kpt #: 53 total cpu time spent up to now is 62.6 secs Computing kpt #: 54 total cpu time spent up to now is 63.9 secs Computing kpt #: 55 total cpu time spent up to now is 65.1 secs Computing kpt #: 56 total cpu time spent up to now is 66.1 secs Computing kpt #: 57 total cpu time spent up to now is 67.0 secs Computing kpt #: 58 total cpu time spent up to now is 67.9 secs Computing kpt #: 59 total cpu time spent up to now is 68.9 secs Computing kpt #: 60 total cpu time spent up to now is 69.8 secs Computing kpt #: 61 total cpu time spent up to now is 70.9 secs Computing kpt #: 62 total cpu time spent up to now is 72.2 secs Computing kpt #: 63 total cpu time spent up to now is 73.4 secs Computing kpt #: 64 total cpu time spent up to now is 74.6 secs Computing kpt #: 65 total cpu time spent up to now is 75.7 secs Computing kpt #: 66 total cpu time spent up to now is 77.0 secs Computing kpt #: 67 total cpu time spent up to now is 78.0 secs Computing kpt #: 68 total cpu time spent up to now is 79.0 secs Computing kpt #: 69 total cpu time spent up to now is 80.0 secs Computing kpt #: 70 total cpu time spent up to now is 81.1 secs Computing kpt #: 71 total cpu time spent up to now is 82.1 secs Computing kpt #: 72 total cpu time spent up to now is 83.0 secs Computing kpt #: 73 total cpu time spent up to now is 83.9 secs Computing kpt #: 74 total cpu time spent up to now is 84.7 secs Computing kpt #: 75 total cpu time spent up to now is 85.7 secs Computing kpt #: 76 total cpu time spent up to now is 86.6 secs Computing kpt #: 77 total cpu time spent up to now is 87.4 secs Computing kpt #: 78 total cpu time spent up to now is 88.6 secs Computing kpt #: 79 total cpu time spent up to now is 89.6 secs Computing kpt #: 80 total cpu time spent up to now is 90.5 secs Computing kpt #: 81 total cpu time spent up to now is 91.6 secs Computing kpt #: 82 total cpu time spent up to now is 92.5 secs Computing kpt #: 83 total cpu time spent up to now is 93.5 secs Computing kpt #: 84 total cpu time spent up to now is 94.5 secs Computing kpt #: 85 total cpu time spent up to now is 95.3 secs Computing kpt #: 86 total cpu time spent up to now is 96.2 secs Computing kpt #: 87 total cpu time spent up to now is 97.2 secs Computing kpt #: 88 total cpu time spent up to now is 98.2 secs Computing kpt #: 89 total cpu time spent up to now is 99.1 secs Computing kpt #: 90 total cpu time spent up to now is 99.9 secs Computing kpt #: 91 total cpu time spent up to now is 100.8 secs Computing kpt #: 92 total cpu time spent up to now is 101.7 secs Computing kpt #: 93 total cpu time spent up to now is 102.5 secs Computing kpt #: 94 total cpu time spent up to now is 103.4 secs Computing kpt #: 95 total cpu time spent up to now is 104.3 secs Computing kpt #: 96 total cpu time spent up to now is 105.2 secs Computing kpt #: 97 total cpu time spent up to now is 106.1 secs Computing kpt #: 98 total cpu time spent up to now is 106.9 secs Computing kpt #: 99 total cpu time spent up to now is 107.7 secs Computing kpt #: 100 total cpu time spent up to now is 108.6 secs Computing kpt #: 101 total cpu time spent up to now is 109.5 secs Computing kpt #: 102 total cpu time spent up to now is 110.3 secs Computing kpt #: 103 total cpu time spent up to now is 111.2 secs Computing kpt #: 104 total cpu time spent up to now is 112.1 secs Computing kpt #: 105 total cpu time spent up to now is 112.9 secs Computing kpt #: 106 total cpu time spent up to now is 113.8 secs Computing kpt #: 107 total cpu time spent up to now is 114.7 secs Computing kpt #: 108 total cpu time spent up to now is 115.5 secs Computing kpt #: 109 total cpu time spent up to now is 116.4 secs Computing kpt #: 110 total cpu time spent up to now is 117.2 secs Computing kpt #: 111 total cpu time spent up to now is 118.1 secs Computing kpt #: 112 total cpu time spent up to now is 118.9 secs Computing kpt #: 113 total cpu time spent up to now is 119.7 secs Computing kpt #: 114 total cpu time spent up to now is 120.5 secs Computing kpt #: 115 total cpu time spent up to now is 121.3 secs Computing kpt #: 116 total cpu time spent up to now is 122.1 secs Computing kpt #: 117 total cpu time spent up to now is 122.9 secs Computing kpt #: 118 total cpu time spent up to now is 123.7 secs Computing kpt #: 119 total cpu time spent up to now is 124.5 secs Computing kpt #: 120 total cpu time spent up to now is 125.3 secs Computing kpt #: 121 total cpu time spent up to now is 126.0 secs Computing kpt #: 122 total cpu time spent up to now is 126.8 secs Computing kpt #: 123 total cpu time spent up to now is 127.6 secs Computing kpt #: 124 total cpu time spent up to now is 128.3 secs Computing kpt #: 125 total cpu time spent up to now is 129.1 secs Computing kpt #: 126 total cpu time spent up to now is 129.9 secs Computing kpt #: 127 total cpu time spent up to now is 130.6 secs Computing kpt #: 128 total cpu time spent up to now is 131.4 secs Computing kpt #: 129 total cpu time spent up to now is 132.2 secs Computing kpt #: 130 total cpu time spent up to now is 132.9 secs Computing kpt #: 131 total cpu time spent up to now is 133.7 secs Computing kpt #: 132 total cpu time spent up to now is 134.5 secs Computing kpt #: 133 total cpu time spent up to now is 135.2 secs Computing kpt #: 134 total cpu time spent up to now is 136.0 secs Computing kpt #: 135 total cpu time spent up to now is 136.8 secs Computing kpt #: 136 total cpu time spent up to now is 137.5 secs Computing kpt #: 137 total cpu time spent up to now is 138.3 secs Computing kpt #: 138 total cpu time spent up to now is 139.1 secs Computing kpt #: 139 total cpu time spent up to now is 139.8 secs Computing kpt #: 140 total cpu time spent up to now is 140.6 secs Computing kpt #: 141 total cpu time spent up to now is 141.4 secs Computing kpt #: 142 total cpu time spent up to now is 142.2 secs Computing kpt #: 143 total cpu time spent up to now is 142.9 secs Computing kpt #: 144 total cpu time spent up to now is 143.7 secs Computing kpt #: 145 total cpu time spent up to now is 144.5 secs Computing kpt #: 146 total cpu time spent up to now is 145.2 secs Computing kpt #: 147 total cpu time spent up to now is 146.1 secs Computing kpt #: 148 total cpu time spent up to now is 147.0 secs Computing kpt #: 149 total cpu time spent up to now is 147.9 secs Computing kpt #: 150 total cpu time spent up to now is 149.0 secs Computing kpt #: 151 total cpu time spent up to now is 150.0 secs Computing kpt #: 152 total cpu time spent up to now is 151.1 secs Computing kpt #: 153 total cpu time spent up to now is 152.4 secs Computing kpt #: 154 total cpu time spent up to now is 153.6 secs Computing kpt #: 155 total cpu time spent up to now is 155.0 secs Computing kpt #: 156 total cpu time spent up to now is 156.3 secs Computing kpt #: 157 total cpu time spent up to now is 157.6 secs Computing kpt #: 158 total cpu time spent up to now is 158.9 secs Computing kpt #: 159 total cpu time spent up to now is 160.2 secs Computing kpt #: 160 total cpu time spent up to now is 161.5 secs Computing kpt #: 161 total cpu time spent up to now is 162.8 secs Computing kpt #: 162 total cpu time spent up to now is 164.0 secs Computing kpt #: 163 total cpu time spent up to now is 165.2 secs Computing kpt #: 164 total cpu time spent up to now is 166.3 secs Computing kpt #: 165 total cpu time spent up to now is 167.2 secs Computing kpt #: 166 total cpu time spent up to now is 168.1 secs Computing kpt #: 167 total cpu time spent up to now is 169.0 secs Computing kpt #: 168 total cpu time spent up to now is 170.1 secs Computing kpt #: 169 total cpu time spent up to now is 171.1 secs Computing kpt #: 170 total cpu time spent up to now is 172.3 secs Computing kpt #: 171 total cpu time spent up to now is 173.4 secs Computing kpt #: 172 total cpu time spent up to now is 174.6 secs Computing kpt #: 173 total cpu time spent up to now is 175.9 secs Computing kpt #: 174 total cpu time spent up to now is 177.3 secs Computing kpt #: 175 total cpu time spent up to now is 178.6 secs Computing kpt #: 176 total cpu time spent up to now is 179.9 secs Computing kpt #: 177 total cpu time spent up to now is 181.3 secs Computing kpt #: 178 total cpu time spent up to now is 182.8 secs Computing kpt #: 179 total cpu time spent up to now is 184.6 secs Computing kpt #: 180 total cpu time spent up to now is 186.1 secs Computing kpt #: 181 total cpu time spent up to now is 188.1 secs Computing kpt #: 182 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 190.4 secs Computing kpt #: 183 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 192.8 secs Computing kpt #: 184 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 195.1 secs Computing kpt #: 185 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 197.5 secs Computing kpt #: 186 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 199.9 secs Computing kpt #: 187 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 202.1 secs Computing kpt #: 188 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 204.5 secs Computing kpt #: 189 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 206.8 secs Computing kpt #: 190 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 209.2 secs Computing kpt #: 191 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 211.5 secs Computing kpt #: 192 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 213.9 secs Computing kpt #: 193 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 216.2 secs Computing kpt #: 194 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 218.6 secs Computing kpt #: 195 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 220.9 secs Computing kpt #: 196 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 223.3 secs Computing kpt #: 197 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 225.6 secs Computing kpt #: 198 total cpu time spent up to now is 227.6 secs Computing kpt #: 199 total cpu time spent up to now is 229.7 secs Computing kpt #: 200 total cpu time spent up to now is 231.6 secs Computing kpt #: 201 total cpu time spent up to now is 233.4 secs Computing kpt #: 202 total cpu time spent up to now is 234.8 secs Computing kpt #: 203 total cpu time spent up to now is 236.1 secs Computing kpt #: 204 total cpu time spent up to now is 237.4 secs Computing kpt #: 205 total cpu time spent up to now is 238.5 secs Computing kpt #: 206 total cpu time spent up to now is 239.6 secs Computing kpt #: 207 total cpu time spent up to now is 240.6 secs Computing kpt #: 208 total cpu time spent up to now is 241.4 secs Computing kpt #: 209 total cpu time spent up to now is 242.3 secs Computing kpt #: 210 total cpu time spent up to now is 243.1 secs Computing kpt #: 211 total cpu time spent up to now is 243.9 secs Computing kpt #: 212 total cpu time spent up to now is 244.6 secs Computing kpt #: 213 total cpu time spent up to now is 245.4 secs Computing kpt #: 214 total cpu time spent up to now is 246.3 secs Computing kpt #: 215 total cpu time spent up to now is 247.4 secs Computing kpt #: 216 total cpu time spent up to now is 248.2 secs Computing kpt #: 217 total cpu time spent up to now is 249.0 secs Computing kpt #: 218 total cpu time spent up to now is 249.8 secs Computing kpt #: 219 total cpu time spent up to now is 250.5 secs Computing kpt #: 220 total cpu time spent up to now is 251.3 secs Computing kpt #: 221 total cpu time spent up to now is 252.1 secs Computing kpt #: 222 total cpu time spent up to now is 252.9 secs Computing kpt #: 223 total cpu time spent up to now is 253.6 secs Computing kpt #: 224 total cpu time spent up to now is 254.4 secs Computing kpt #: 225 total cpu time spent up to now is 255.1 secs Computing kpt #: 226 total cpu time spent up to now is 255.9 secs Computing kpt #: 227 total cpu time spent up to now is 256.7 secs Computing kpt #: 228 total cpu time spent up to now is 257.7 secs Computing kpt #: 229 total cpu time spent up to now is 258.8 secs Computing kpt #: 230 total cpu time spent up to now is 260.0 secs Computing kpt #: 231 total cpu time spent up to now is 261.1 secs Computing kpt #: 232 total cpu time spent up to now is 262.4 secs Computing kpt #: 233 total cpu time spent up to now is 263.7 secs Computing kpt #: 234 total cpu time spent up to now is 264.9 secs Computing kpt #: 235 total cpu time spent up to now is 266.5 secs Computing kpt #: 236 total cpu time spent up to now is 268.1 secs Computing kpt #: 237 total cpu time spent up to now is 270.1 secs Computing kpt #: 238 total cpu time spent up to now is 272.1 secs Computing kpt #: 239 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 274.4 secs Computing kpt #: 240 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 276.8 secs Computing kpt #: 241 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 279.2 secs Computing kpt #: 242 total cpu time spent up to now is 281.2 secs Computing kpt #: 243 total cpu time spent up to now is 282.7 secs Computing kpt #: 244 total cpu time spent up to now is 284.2 secs Computing kpt #: 245 total cpu time spent up to now is 285.6 secs Computing kpt #: 246 total cpu time spent up to now is 287.0 secs Computing kpt #: 247 total cpu time spent up to now is 288.4 secs Computing kpt #: 248 total cpu time spent up to now is 289.7 secs Computing kpt #: 249 total cpu time spent up to now is 291.1 secs Computing kpt #: 250 total cpu time spent up to now is 292.4 secs Computing kpt #: 251 total cpu time spent up to now is 293.6 secs Computing kpt #: 252 total cpu time spent up to now is 295.0 secs Computing kpt #: 253 total cpu time spent up to now is 296.3 secs Computing kpt #: 254 total cpu time spent up to now is 297.7 secs Computing kpt #: 255 total cpu time spent up to now is 299.0 secs Computing kpt #: 256 total cpu time spent up to now is 300.4 secs Computing kpt #: 257 total cpu time spent up to now is 301.7 secs Computing kpt #: 258 total cpu time spent up to now is 303.0 secs Computing kpt #: 259 total cpu time spent up to now is 304.1 secs Computing kpt #: 260 total cpu time spent up to now is 305.0 secs Computing kpt #: 261 total cpu time spent up to now is 306.0 secs Computing kpt #: 262 total cpu time spent up to now is 306.9 secs Computing kpt #: 263 total cpu time spent up to now is 307.9 secs Computing kpt #: 264 total cpu time spent up to now is 308.9 secs Computing kpt #: 265 total cpu time spent up to now is 310.4 secs Computing kpt #: 266 total cpu time spent up to now is 312.3 secs Computing kpt #: 267 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 314.6 secs Computing kpt #: 268 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 317.0 secs Computing kpt #: 269 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 319.4 secs Computing kpt #: 270 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 321.7 secs Computing kpt #: 271 total cpu time spent up to now is 322.5 secs Computing kpt #: 272 total cpu time spent up to now is 323.5 secs Computing kpt #: 273 total cpu time spent up to now is 324.9 secs Computing kpt #: 274 total cpu time spent up to now is 326.3 secs Computing kpt #: 275 total cpu time spent up to now is 327.5 secs Computing kpt #: 276 total cpu time spent up to now is 328.8 secs Computing kpt #: 277 total cpu time spent up to now is 330.1 secs Computing kpt #: 278 total cpu time spent up to now is 331.4 secs Computing kpt #: 279 total cpu time spent up to now is 332.7 secs Computing kpt #: 280 total cpu time spent up to now is 334.0 secs Computing kpt #: 281 total cpu time spent up to now is 335.2 secs Computing kpt #: 282 total cpu time spent up to now is 336.5 secs Computing kpt #: 283 total cpu time spent up to now is 337.8 secs Computing kpt #: 284 total cpu time spent up to now is 339.1 secs Computing kpt #: 285 total cpu time spent up to now is 340.4 secs Computing kpt #: 286 total cpu time spent up to now is 341.8 secs Computing kpt #: 287 total cpu time spent up to now is 343.8 secs Computing kpt #: 288 total cpu time spent up to now is 345.3 secs Computing kpt #: 289 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 347.5 secs ethr = 1.67E-08, avg # of iterations = 42.4 total cpu time spent up to now is 347.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4763 PWs) bands (ev): -13.7339 -13.7339 -11.6450 -11.6450 -11.6012 -11.6012 -11.4643 -11.4643 -10.5321 -10.5321 -10.5173 -10.5173 -10.1818 -10.1818 -10.1696 -10.1696 -7.6635 -7.6635 -7.6417 -7.6417 -7.6315 -7.6315 -3.6908 -3.6908 -1.7882 -1.7882 0.5011 0.5011 1.1984 1.1984 1.3263 1.3263 1.5034 1.5034 1.6507 1.6507 2.3874 2.3874 3.4972 3.4972 3.9339 3.9339 4.0693 4.0693 4.0713 4.0713 4.0905 4.0905 4.1817 4.1817 4.8042 4.8042 4.8180 4.8180 4.8474 4.8474 4.9663 4.9663 4.9822 4.9822 9.6737 9.6737 10.6177 10.6177 11.3160 11.3160 11.9467 11.9467 12.9801 12.9801 14.5997 14.5997 k = 0.0143 0.0082-0.0000 ( 4775 PWs) bands (ev): -13.7331 -13.7331 -11.6459 -11.6459 -11.6022 -11.6022 -11.4634 -11.4634 -10.5325 -10.5325 -10.5179 -10.5179 -10.1816 -10.1816 -10.1692 -10.1692 -7.6635 -7.6635 -7.6416 -7.6416 -7.6315 -7.6315 -3.6888 -3.6888 -1.7877 -1.7877 0.5001 0.5001 1.1977 1.1977 1.3256 1.3256 1.5049 1.5049 1.6520 1.6520 2.3816 2.3816 3.4977 3.4977 3.9284 3.9284 4.0499 4.0499 4.0756 4.0756 4.1039 4.1039 4.1947 4.1947 4.8021 4.8021 4.8155 4.8155 4.8441 4.8441 4.9691 4.9691 4.9848 4.9848 9.6739 9.6739 10.6193 10.6193 11.3160 11.3160 11.9474 11.9474 12.9778 12.9778 14.5928 14.5928 k = 0.0286 0.0165-0.0000 ( 4771 PWs) bands (ev): -13.7309 -13.7309 -11.6487 -11.6487 -11.6051 -11.6051 -11.4610 -11.4610 -10.5340 -10.5340 -10.5196 -10.5196 -10.1809 -10.1809 -10.1682 -10.1682 -7.6635 -7.6635 -7.6415 -7.6415 -7.6314 -7.6314 -3.6830 -3.6830 -1.7861 -1.7861 0.4972 0.4972 1.1957 1.1957 1.3237 1.3237 1.5091 1.5091 1.6563 1.6563 2.3647 2.3647 3.4990 3.4990 3.9148 3.9148 4.0230 4.0230 4.0848 4.0848 4.1173 4.1173 4.2303 4.2303 4.7952 4.7952 4.8067 4.8067 4.8382 4.8382 4.9753 4.9753 4.9928 4.9928 9.6744 9.6744 10.6243 10.6243 11.3163 11.3163 11.9495 11.9495 12.9711 12.9711 14.5733 14.5733 k = 0.0429 0.0247-0.0000 ( 4773 PWs) bands (ev): -13.7271 -13.7271 -11.6534 -11.6534 -11.6096 -11.6096 -11.4570 -11.4570 -10.5365 -10.5365 -10.5223 -10.5223 -10.1797 -10.1797 -10.1664 -10.1664 -7.6635 -7.6635 -7.6412 -7.6412 -7.6311 -7.6311 -3.6734 -3.6734 -1.7834 -1.7834 0.4925 0.4925 1.1922 1.1922 1.3208 1.3208 1.5148 1.5148 1.6641 1.6641 2.3372 2.3372 3.5004 3.5004 3.8980 3.8980 3.9985 3.9985 4.0920 4.0920 4.1305 4.1305 4.2799 4.2799 4.7814 4.7814 4.7921 4.7921 4.8355 4.8355 4.9820 4.9820 5.0052 5.0052 9.6752 9.6752 10.6324 10.6324 11.3166 11.3166 11.9532 11.9532 12.9599 12.9599 14.5434 14.5434 k = 0.0571 0.0330-0.0000 ( 4777 PWs) bands (ev): -13.7218 -13.7218 -11.6602 -11.6602 -11.6155 -11.6155 -11.4517 -11.4517 -10.5400 -10.5400 -10.5258 -10.5258 -10.1781 -10.1781 -10.1640 -10.1640 -7.6635 -7.6635 -7.6408 -7.6408 -7.6308 -7.6308 -3.6600 -3.6600 -1.7796 -1.7796 0.4864 0.4864 1.1872 1.1872 1.3174 1.3174 1.5201 1.5201 1.6767 1.6767 2.3003 2.3003 3.5009 3.5009 3.8818 3.8818 3.9782 3.9782 4.0946 4.0946 4.1465 4.1465 4.3376 4.3376 4.7594 4.7594 4.7765 4.7765 4.8362 4.8362 4.9887 4.9887 5.0195 5.0195 9.6762 9.6762 10.6434 10.6434 11.3170 11.3170 11.9584 11.9584 12.9445 12.9445 14.5060 14.5060 k = 0.0714 0.0412-0.0000 ( 4785 PWs) bands (ev): -13.7151 -13.7151 -11.6693 -11.6693 -11.6223 -11.6223 -11.4453 -11.4453 -10.5446 -10.5446 -10.5300 -10.5300 -10.1762 -10.1762 -10.1610 -10.1610 -7.6635 -7.6635 -7.6403 -7.6403 -7.6304 -7.6304 -3.6428 -3.6428 -1.7748 -1.7748 0.4792 0.4792 1.1804 1.1804 1.3137 1.3137 1.5233 1.5233 1.6949 1.6949 2.2553 2.2553 3.4991 3.4991 3.8682 3.8682 3.9632 3.9632 4.0939 4.0939 4.1635 4.1635 4.3999 4.3999 4.7329 4.7329 4.7605 4.7605 4.8390 4.8390 4.9953 4.9953 5.0340 5.0340 9.6775 9.6775 10.6569 10.6569 11.3175 11.3175 11.9654 11.9654 12.9249 12.9249 14.4637 14.4637 k = 0.0857 0.0495-0.0000 ( 4801 PWs) bands (ev): -13.7068 -13.7068 -11.6811 -11.6811 -11.6294 -11.6294 -11.4379 -11.4379 -10.5504 -10.5504 -10.5347 -10.5347 -10.1739 -10.1739 -10.1576 -10.1576 -7.6636 -7.6636 -7.6397 -7.6397 -7.6298 -7.6298 -3.6220 -3.6220 -1.7689 -1.7689 0.4713 0.4713 1.1718 1.1718 1.3103 1.3103 1.5228 1.5228 1.7192 1.7192 2.2041 2.2041 3.4933 3.4933 3.8587 3.8587 3.9539 3.9539 4.0913 4.0913 4.1795 4.1795 4.4636 4.4636 4.7045 4.7045 4.7453 4.7453 4.8432 4.8432 5.0018 5.0018 5.0479 5.0479 9.6790 9.6790 10.6725 10.6725 11.3180 11.3180 11.9744 11.9744 12.9013 12.9013 14.4185 14.4185 k = 0.1000 0.0577-0.0000 ( 4805 PWs) bands (ev): -13.6971 -13.6971 -11.6956 -11.6956 -11.6365 -11.6365 -11.4297 -11.4297 -10.5571 -10.5571 -10.5396 -10.5396 -10.1715 -10.1715 -10.1538 -10.1538 -7.6636 -7.6636 -7.6391 -7.6391 -7.6292 -7.6292 -3.5977 -3.5977 -1.7620 -1.7620 0.4631 0.4631 1.1613 1.1613 1.3073 1.3073 1.5178 1.5178 1.7492 1.7492 2.1486 2.1486 3.4820 3.4820 3.8541 3.8541 3.9505 3.9505 4.0878 4.0878 4.1935 4.1935 4.5236 4.5236 4.6758 4.6758 4.7347 4.7347 4.8487 4.8487 5.0080 5.0080 5.0608 5.0608 9.6806 9.6806 10.6897 10.6897 11.3183 11.3183 11.9856 11.9856 12.8739 12.8739 14.3721 14.3721 k = 0.1143 0.0660-0.0000 ( 4811 PWs) bands (ev): -13.6860 -13.6860 -11.7130 -11.7130 -11.6433 -11.6433 -11.4209 -11.4209 -10.5648 -10.5648 -10.5448 -10.5448 -10.1688 -10.1688 -10.1498 -10.1498 -7.6636 -7.6636 -7.6384 -7.6384 -7.6284 -7.6284 -3.5699 -3.5699 -1.7541 -1.7541 0.4549 0.4549 1.1490 1.1490 1.3048 1.3048 1.5074 1.5074 1.7839 1.7839 2.0911 2.0911 3.4643 3.4643 3.8550 3.8550 3.9528 3.9528 4.0838 4.0838 4.2047 4.2047 4.5692 4.5692 4.6478 4.6478 4.7386 4.7386 4.8551 4.8551 5.0140 5.0140 5.0725 5.0725 9.6822 9.6822 10.7079 10.7079 11.3185 11.3185 11.9992 11.9992 12.8430 12.8430 14.3259 14.3259 k = 0.1286 0.0742-0.0000 ( 4807 PWs) bands (ev): -13.6733 -13.6733 -11.7330 -11.7330 -11.6498 -11.6498 -11.4116 -11.4116 -10.5732 -10.5732 -10.5502 -10.5502 -10.1661 -10.1661 -10.1455 -10.1455 -7.6637 -7.6637 -7.6377 -7.6377 -7.6275 -7.6275 -3.5389 -3.5389 -1.7452 -1.7452 0.4472 0.4472 1.1350 1.1350 1.3027 1.3027 1.4909 1.4909 1.8223 1.8223 2.0343 2.0343 3.4401 3.4401 3.8608 3.8608 3.9601 3.9601 4.0800 4.0800 4.2125 4.2125 4.5866 4.5866 4.6215 4.6215 4.7697 4.7697 4.8626 4.8626 5.0204 5.0204 5.0829 5.0829 9.6838 9.6838 10.7267 10.7267 11.3183 11.3183 12.0155 12.0155 12.8089 12.8089 14.2807 14.2807 k = 0.1429 0.0825-0.0000 ( 4805 PWs) bands (ev): -13.6593 -13.6593 -11.7556 -11.7556 -11.6560 -11.6560 -11.4020 -11.4020 -10.5821 -10.5821 -10.5557 -10.5557 -10.1633 -10.1633 -10.1412 -10.1412 -7.6637 -7.6637 -7.6369 -7.6369 -7.6265 -7.6265 -3.5047 -3.5047 -1.7354 -1.7354 0.4402 0.4402 1.1196 1.1196 1.3005 1.3005 1.4673 1.4673 1.8627 1.8627 1.9817 1.9817 3.4101 3.4101 3.8702 3.8702 3.9718 3.9718 4.0770 4.0770 4.2165 4.2165 4.5792 4.5792 4.5979 4.5979 4.8226 4.8226 4.8711 4.8711 5.0283 5.0283 5.0921 5.0921 9.6853 9.6853 10.7453 10.7453 11.3178 11.3178 12.0347 12.0347 12.7718 12.7718 14.2375 14.2375 k = 0.1571 0.0907-0.0000 ( 4801 PWs) bands (ev): -13.6439 -13.6439 -11.7805 -11.7805 -11.6618 -11.6618 -11.3921 -11.3921 -10.5915 -10.5915 -10.5614 -10.5614 -10.1605 -10.1605 -10.1368 -10.1368 -7.6637 -7.6637 -7.6362 -7.6362 -7.6254 -7.6254 -3.4675 -3.4675 -1.7246 -1.7246 0.4342 0.4342 1.1030 1.1030 1.2968 1.2968 1.4363 1.4363 1.8974 1.8974 1.9428 1.9428 3.3752 3.3752 3.8817 3.8817 3.9865 3.9865 4.0759 4.0759 4.2168 4.2168 4.5595 4.5595 4.5779 4.5779 4.8755 4.8755 4.8862 4.8862 5.0409 5.0409 5.1001 5.1001 9.6866 9.6866 10.7633 10.7633 11.3169 11.3169 12.0570 12.0570 12.7321 12.7321 14.1967 14.1967 k = 0.1714 0.0990-0.0000 ( 4805 PWs) bands (ev): -13.6271 -13.6271 -11.8075 -11.8075 -11.6674 -11.6674 -11.3821 -11.3821 -10.6011 -10.6011 -10.5671 -10.5671 -10.1577 -10.1577 -10.1324 -10.1324 -7.6638 -7.6638 -7.6355 -7.6355 -7.6241 -7.6241 -3.4276 -3.4276 -1.7129 -1.7129 0.4293 0.4293 1.0858 1.0858 1.2882 1.2882 1.4002 1.4002 1.8834 1.8834 1.9614 1.9614 3.3366 3.3366 3.8931 3.8931 4.0028 4.0028 4.0781 4.0781 4.2138 4.2138 4.5344 4.5344 4.5617 4.5617 4.8888 4.8888 4.9326 4.9326 5.0657 5.0657 5.1073 5.1073 9.6876 9.6876 10.7802 10.7802 11.3153 11.3153 12.0826 12.0826 12.6902 12.6902 14.1589 14.1589 k = 0.1857 0.1072-0.0000 ( 4801 PWs) bands (ev): -13.6090 -13.6090 -11.8365 -11.8365 -11.6726 -11.6726 -11.3720 -11.3720 -10.6108 -10.6108 -10.5729 -10.5729 -10.1551 -10.1551 -10.1282 -10.1282 -7.6639 -7.6639 -7.6347 -7.6347 -7.6228 -7.6228 -3.3851 -3.3851 -1.7003 -1.7003 0.4257 0.4257 1.0680 1.0680 1.2659 1.2659 1.3678 1.3678 1.8547 1.8547 2.0038 2.0038 3.2955 3.2955 3.9025 3.9025 4.0186 4.0186 4.0850 4.0850 4.2089 4.2089 4.5067 4.5067 4.5494 4.5494 4.8995 4.8995 4.9620 4.9620 5.1062 5.1062 5.1186 5.1186 9.6882 9.6882 10.7954 10.7954 11.3131 11.3131 12.1114 12.1114 12.6466 12.6466 14.1244 14.1244 k = 0.2000 0.1155-0.0000 ( 4799 PWs) bands (ev): -13.5895 -13.5895 -11.8674 -11.8674 -11.6776 -11.6776 -11.3620 -11.3620 -10.6205 -10.6205 -10.5787 -10.5787 -10.1526 -10.1526 -10.1240 -10.1240 -7.6639 -7.6639 -7.6340 -7.6340 -7.6214 -7.6214 -3.3403 -3.3403 -1.6867 -1.6867 0.4235 0.4235 1.0498 1.0498 1.2203 1.2203 1.3499 1.3499 1.8325 1.8325 2.0475 2.0475 3.2532 3.2532 3.9081 3.9081 4.0319 4.0319 4.0969 4.0969 4.2047 4.2047 4.4775 4.4775 4.5408 4.5408 4.9107 4.9107 4.9744 4.9744 5.1163 5.1163 5.1758 5.1758 9.6883 9.6883 10.8088 10.8088 11.3101 11.3101 12.1433 12.1433 12.6016 12.6016 14.0934 14.0934 k = 0.2143 0.1237-0.0000 ( 4801 PWs) bands (ev): -13.5688 -13.5688 -11.8998 -11.8998 -11.6822 -11.6822 -11.3521 -11.3521 -10.6301 -10.6301 -10.5845 -10.5845 -10.1502 -10.1502 -10.1201 -10.1201 -7.6640 -7.6640 -7.6332 -7.6332 -7.6200 -7.6200 -3.2934 -3.2934 -1.6723 -1.6723 0.4227 0.4227 1.0306 1.0306 1.1568 1.1568 1.3437 1.3437 1.8170 1.8170 2.0896 2.0896 3.2109 3.2109 3.9092 3.9092 4.0407 4.0407 4.1126 4.1126 4.2048 4.2048 4.4474 4.4474 4.5357 4.5357 4.9222 4.9222 4.9782 4.9782 5.1207 5.1207 5.2451 5.2451 9.6879 9.6879 10.8201 10.8201 11.3063 11.3063 12.1782 12.1782 12.5560 12.5560 14.0659 14.0659 k = 0.2286 0.1320-0.0000 ( 4793 PWs) bands (ev): -13.5469 -13.5469 -11.9338 -11.9338 -11.6866 -11.6866 -11.3423 -11.3423 -10.6395 -10.6395 -10.5902 -10.5902 -10.1481 -10.1481 -10.1162 -10.1162 -7.6641 -7.6641 -7.6325 -7.6325 -7.6185 -7.6185 -3.2447 -3.2447 -1.6569 -1.6569 0.4232 0.4232 1.0066 1.0066 1.0879 1.0879 1.3427 1.3427 1.8072 1.8072 2.1285 2.1285 3.1701 3.1701 3.9062 3.9062 4.0426 4.0426 4.1309 4.1309 4.2121 4.2121 4.4169 4.4169 4.5336 4.5336 4.9341 4.9341 4.9775 4.9775 5.1240 5.1240 5.3168 5.3168 9.6869 9.6869 10.8291 10.8291 11.3014 11.3014 12.2154 12.2154 12.5104 12.5104 14.0419 14.0419 k = 0.2429 0.1402-0.0000 ( 4807 PWs) bands (ev): -13.5238 -13.5238 -11.9690 -11.9690 -11.6907 -11.6907 -11.3328 -11.3328 -10.6485 -10.6485 -10.5958 -10.5958 -10.1462 -10.1462 -10.1126 -10.1126 -7.6642 -7.6642 -7.6318 -7.6318 -7.6171 -7.6171 -3.1944 -3.1944 -1.6407 -1.6407 0.4250 0.4250 0.9607 0.9607 1.0357 1.0357 1.3441 1.3441 1.8019 1.8019 2.1625 2.1625 3.1325 3.1325 3.8999 3.8999 4.0364 4.0364 4.1521 4.1521 4.2264 4.2264 4.3863 4.3863 4.5343 4.5343 4.9463 4.9463 4.9742 4.9742 5.1267 5.1267 5.3887 5.3887 9.6853 9.6853 10.8360 10.8360 11.2954 11.2954 12.2539 12.2539 12.4663 12.4663 14.0213 14.0213 k = 0.2571 0.1485-0.0000 ( 4807 PWs) bands (ev): -13.4997 -13.4997 -12.0054 -12.0054 -11.6945 -11.6945 -11.3236 -11.3236 -10.6572 -10.6572 -10.6012 -10.6012 -10.1446 -10.1446 -10.1092 -10.1092 -7.6642 -7.6642 -7.6310 -7.6310 -7.6156 -7.6156 -3.1429 -3.1429 -1.6234 -1.6234 0.4278 0.4278 0.8845 0.8845 1.0116 1.0116 1.3466 1.3466 1.8000 1.8000 2.1898 2.1898 3.1000 3.1000 3.8911 3.8911 4.0238 4.0238 4.1762 4.1762 4.2445 4.2445 4.3559 4.3559 4.5379 4.5379 4.9580 4.9580 4.9696 4.9696 5.1288 5.1288 5.4597 5.4597 9.6829 9.6829 10.8409 10.8409 11.2883 11.2883 12.2906 12.2906 12.4266 12.4266 14.0038 14.0038 k = 0.2714 0.1567-0.0000 ( 4803 PWs) bands (ev): -13.4744 -13.4744 -12.0428 -12.0428 -11.6980 -11.6980 -11.3147 -11.3147 -10.6655 -10.6655 -10.6065 -10.6065 -10.1432 -10.1432 -10.1060 -10.1060 -7.6643 -7.6643 -7.6303 -7.6303 -7.6141 -7.6141 -3.0905 -3.0905 -1.6051 -1.6051 0.4314 0.4314 0.7969 0.7969 0.9985 0.9985 1.3498 1.3498 1.8007 1.8007 2.2084 2.2084 3.0744 3.0744 3.8807 3.8807 4.0071 4.0071 4.2024 4.2024 4.2630 4.2630 4.3262 4.3262 4.5445 4.5445 4.9604 4.9604 4.9729 4.9729 5.1305 5.1305 5.5289 5.5289 9.6799 9.6799 10.8440 10.8440 11.2798 11.2798 12.3132 12.3132 12.4039 12.4039 13.9892 13.9892 k = 0.2857 0.1650-0.0000 ( 4811 PWs) bands (ev): -13.4482 -13.4482 -12.0809 -12.0809 -11.7012 -11.7012 -11.3063 -11.3063 -10.6732 -10.6732 -10.6116 -10.6116 -10.1421 -10.1421 -10.1030 -10.1030 -7.6644 -7.6644 -7.6296 -7.6296 -7.6127 -7.6127 -3.0376 -3.0376 -1.5858 -1.5858 0.4356 0.4356 0.7055 0.7055 0.9907 0.9907 1.3535 1.3535 1.8033 1.8033 2.2166 2.2166 3.0577 3.0577 3.8693 3.8693 3.9885 3.9885 4.2288 4.2288 4.2794 4.2794 4.2988 4.2988 4.5544 4.5544 4.9529 4.9529 4.9848 4.9848 5.1318 5.1318 5.5959 5.5959 9.6762 9.6762 10.8455 10.8455 11.2699 11.2699 12.2997 12.2997 12.4201 12.4201 13.9769 13.9769 k = 0.3000 0.1732-0.0000 ( 4823 PWs) bands (ev): -13.4212 -13.4212 -12.1196 -12.1196 -11.7042 -11.7042 -11.2984 -11.2984 -10.6804 -10.6804 -10.6165 -10.6165 -10.1413 -10.1413 -10.1002 -10.1002 -7.6645 -7.6645 -7.6289 -7.6289 -7.6113 -7.6113 -2.9846 -2.9846 -1.5654 -1.5654 0.4398 0.4398 0.6127 0.6127 0.9870 0.9870 1.3574 1.3574 1.8074 1.8074 2.2132 2.2132 3.0508 3.0508 3.8573 3.8573 3.9692 3.9692 4.2455 4.2455 4.2798 4.2798 4.2953 4.2953 4.5676 4.5676 4.9435 4.9435 4.9972 4.9972 5.1329 5.1329 5.6603 5.6603 9.6717 9.6717 10.8459 10.8459 11.2585 11.2585 12.2666 12.2666 12.4584 12.4584 13.9665 13.9665 k = 0.3143 0.1815-0.0000 ( 4811 PWs) bands (ev): -13.3934 -13.3934 -12.1587 -12.1587 -11.7069 -11.7069 -11.2909 -11.2909 -10.6870 -10.6870 -10.6212 -10.6212 -10.1407 -10.1407 -10.0976 -10.0976 -7.6646 -7.6646 -7.6282 -7.6282 -7.6100 -7.6100 -2.9319 -2.9319 -1.5438 -1.5438 0.4433 0.4433 0.5203 0.5203 0.9874 0.9874 1.3614 1.3614 1.8124 1.8124 2.1981 2.1981 3.0541 3.0541 3.8452 3.8452 3.9501 3.9501 4.2299 4.2299 4.2902 4.2902 4.3113 4.3113 4.5839 4.5839 4.9330 4.9330 5.0096 5.0096 5.1337 5.1337 5.7218 5.7218 9.6667 9.6667 10.8455 10.8455 11.2456 11.2456 12.2304 12.2304 12.5022 12.5022 13.9575 13.9575 k = 0.3286 0.1897-0.0000 ( 4807 PWs) bands (ev): -13.3650 -13.3650 -12.1979 -12.1979 -11.7093 -11.7093 -11.2840 -11.2840 -10.6930 -10.6930 -10.6256 -10.6256 -10.1403 -10.1403 -10.0952 -10.0952 -7.6647 -7.6647 -7.6276 -7.6276 -7.6088 -7.6088 -2.8800 -2.8800 -1.5210 -1.5210 0.4209 0.4209 0.4540 0.4540 0.9921 0.9921 1.3656 1.3656 1.8181 1.8181 2.1722 2.1722 3.0666 3.0666 3.8332 3.8332 3.9317 3.9317 4.2044 4.2044 4.2979 4.2979 4.3368 4.3368 4.6026 4.6026 4.9213 4.9213 5.0217 5.0217 5.1344 5.1344 5.7800 5.7800 9.6612 9.6612 10.8446 10.8446 11.2312 11.2312 12.1951 12.1951 12.5472 12.5472 13.9491 13.9491 k = 0.3429 0.1979-0.0000 ( 4817 PWs) bands (ev): -13.3361 -13.3361 -12.2371 -12.2371 -11.7115 -11.7115 -11.2777 -11.2777 -10.6984 -10.6984 -10.6297 -10.6297 -10.1401 -10.1401 -10.0930 -10.0930 -7.6648 -7.6648 -7.6269 -7.6269 -7.6076 -7.6076 -2.8295 -2.8295 -1.4968 -1.4968 0.3327 0.3327 0.4541 0.4541 1.0012 1.0012 1.3697 1.3697 1.8241 1.8241 2.1371 2.1371 3.0868 3.0868 3.8215 3.8215 3.9143 3.9143 4.1786 4.1786 4.2986 4.2986 4.3669 4.3669 4.6230 4.6230 4.9085 4.9085 5.0336 5.0336 5.1351 5.1351 5.8348 5.8348 9.6551 9.6551 10.8435 10.8435 11.2155 11.2155 12.1622 12.1622 12.5917 12.5917 13.9408 13.9408 k = 0.3571 0.2062-0.0000 ( 4821 PWs) bands (ev): -13.3069 -13.3069 -12.2759 -12.2759 -11.7135 -11.7135 -11.2719 -11.2719 -10.7032 -10.7032 -10.6335 -10.6335 -10.1402 -10.1402 -10.0910 -10.0910 -7.6649 -7.6649 -7.6263 -7.6263 -7.6065 -7.6065 -2.7809 -2.7809 -1.4714 -1.4714 0.2433 0.2433 0.4565 0.4565 1.0148 1.0148 1.3737 1.3737 1.8301 1.8301 2.0949 2.0949 3.1126 3.1126 3.8105 3.8105 3.8981 3.8981 4.1536 4.1536 4.2951 4.2951 4.3982 4.3982 4.6439 4.6439 4.8947 4.8947 5.0451 5.0451 5.1356 5.1356 5.8858 5.8858 9.6488 9.6488 10.8427 10.8427 11.1985 11.1985 12.1320 12.1320 12.6349 12.6349 13.9322 13.9322 k = 0.3714 0.2144-0.0000 ( 4825 PWs) bands (ev): -13.2778 -13.2778 -12.3139 -12.3139 -11.7152 -11.7152 -11.2668 -11.2668 -10.7073 -10.7073 -10.6370 -10.6370 -10.1403 -10.1403 -10.0891 -10.0891 -7.6650 -7.6650 -7.6258 -7.6258 -7.6055 -7.6055 -2.7346 -2.7346 -1.4447 -1.4447 0.1561 0.1561 0.4585 0.4585 1.0327 1.0327 1.3775 1.3775 1.8357 1.8357 2.0477 2.0477 3.1422 3.1422 3.8002 3.8002 3.8834 3.8834 4.1298 4.1298 4.2886 4.2886 4.4297 4.4297 4.6647 4.6647 4.8798 4.8798 5.0560 5.0560 5.1362 5.1362 5.9327 5.9327 9.6423 9.6423 10.8423 10.8423 11.1806 11.1806 12.1049 12.1049 12.6759 12.6759 13.9229 13.9229 k = 0.3857 0.2227-0.0000 ( 4817 PWs) bands (ev): -13.2490 -13.2490 -12.3510 -12.3510 -11.7167 -11.7167 -11.2622 -11.2622 -10.7109 -10.7109 -10.6402 -10.6402 -10.1406 -10.1406 -10.0875 -10.0875 -7.6651 -7.6651 -7.6253 -7.6253 -7.6046 -7.6046 -2.6913 -2.6913 -1.4169 -1.4169 0.0722 0.0722 0.4597 0.4597 1.0548 1.0548 1.3811 1.3811 1.8404 1.8404 1.9976 1.9976 3.1738 3.1738 3.7909 3.7909 3.8703 3.8703 4.1076 4.1076 4.2800 4.2800 4.4610 4.4610 4.6845 4.6845 4.8640 4.8640 5.0664 5.0664 5.1367 5.1367 5.9754 5.9754 9.6359 9.6359 10.8425 10.8425 11.1621 11.1621 12.0809 12.0809 12.7143 12.7143 13.9131 13.9131 k = 0.4000 0.2309-0.0000 ( 4815 PWs) bands (ev): -13.2208 -13.2208 -12.3865 -12.3865 -11.7180 -11.7180 -11.2582 -11.2582 -10.7139 -10.7139 -10.6430 -10.6430 -10.1409 -10.1409 -10.0861 -10.0861 -7.6652 -7.6652 -7.6248 -7.6248 -7.6037 -7.6037 -2.6516 -2.6516 -1.3883 -1.3883 -0.0075 -0.0075 0.4604 0.4604 1.0806 1.0806 1.3843 1.3843 1.8428 1.8428 1.9475 1.9475 3.2056 3.2056 3.7825 3.7825 3.8587 3.8587 4.0871 4.0871 4.2700 4.2700 4.4918 4.4918 4.7029 4.7029 4.8473 4.8473 5.0761 5.0761 5.1372 5.1372 6.0137 6.0137 9.6296 9.6296 10.8435 10.8435 11.1434 11.1434 12.0602 12.0602 12.7494 12.7494 13.9030 13.9030 k = 0.4143 0.2392-0.0000 ( 4815 PWs) bands (ev): -13.1939 -13.1939 -12.4199 -12.4199 -11.7192 -11.7192 -11.2548 -11.2548 -10.7165 -10.7165 -10.6455 -10.6455 -10.1413 -10.1413 -10.0848 -10.0848 -7.6652 -7.6652 -7.6244 -7.6244 -7.6030 -7.6030 -2.6160 -2.6160 -1.3595 -1.3595 -0.0819 -0.0819 0.4605 0.4605 1.1096 1.1096 1.3869 1.3869 1.8384 1.8384 1.9034 1.9034 3.2365 3.2365 3.7752 3.7752 3.8488 3.8488 4.0687 4.0687 4.2593 4.2593 4.5220 4.5220 4.7193 4.7193 4.8296 4.8296 5.0848 5.0848 5.1377 5.1377 6.0473 6.0473 9.6236 9.6236 10.8453 10.8453 11.1251 11.1251 12.0425 12.0425 12.7809 12.7809 13.8929 13.8929 k = 0.4286 0.2474-0.0000 ( 4801 PWs) bands (ev): -13.1687 -13.1687 -12.4506 -12.4506 -11.7201 -11.7201 -11.2519 -11.2519 -10.7185 -10.7185 -10.6477 -10.6477 -10.1417 -10.1417 -10.0838 -10.0838 -7.6653 -7.6653 -7.6241 -7.6241 -7.6024 -7.6024 -2.5849 -2.5849 -1.3311 -1.3311 -0.1497 -0.1497 0.4602 0.4602 1.1408 1.1408 1.3889 1.3889 1.8139 1.8139 1.8800 1.8800 3.2650 3.2650 3.7689 3.7689 3.8406 3.8406 4.0524 4.0524 4.2486 4.2486 4.5512 4.5512 4.7335 4.7335 4.8111 4.8111 5.0926 5.0926 5.1382 5.1382 6.0760 6.0760 9.6182 9.6182 10.8478 10.8478 11.1076 11.1076 12.0278 12.0278 12.8082 12.8082 13.8834 13.8834 k = 0.4429 0.2557-0.0000 ( 4805 PWs) bands (ev): -13.1462 -13.1462 -12.4778 -12.4778 -11.7208 -11.7208 -11.2496 -11.2496 -10.7201 -10.7201 -10.6494 -10.6494 -10.1421 -10.1421 -10.0829 -10.0829 -7.6654 -7.6654 -7.6238 -7.6238 -7.6019 -7.6019 -2.5588 -2.5588 -1.3044 -1.3044 -0.2093 -0.2093 0.4597 0.4597 1.1730 1.1730 1.3899 1.3899 1.7732 1.7732 1.8752 1.8752 3.2902 3.2902 3.7638 3.7638 3.8340 3.8340 4.0387 4.0387 4.2387 4.2387 4.5793 4.5793 4.7452 4.7452 4.7920 4.7920 5.0991 5.0991 5.1387 5.1387 6.0998 6.0998 9.6136 9.6136 10.8507 10.8507 11.0917 11.0917 12.0161 12.0161 12.8311 12.8311 13.8749 13.8749 k = 0.4571 0.2639-0.0000 ( 4803 PWs) bands (ev): -13.1271 -13.1271 -12.5005 -12.5005 -11.7214 -11.7214 -11.2478 -11.2478 -10.7213 -10.7213 -10.6508 -10.6508 -10.1424 -10.1424 -10.0823 -10.0823 -7.6654 -7.6654 -7.6235 -7.6235 -7.6015 -7.6015 -2.5382 -2.5382 -1.2808 -1.2808 -0.2589 -0.2589 0.4591 0.4591 1.2043 1.2043 1.3898 1.3898 1.7322 1.7322 1.8753 1.8753 3.3109 3.3109 3.7597 3.7597 3.8290 3.8290 4.0277 4.0277 4.2301 4.2301 4.6059 4.6059 4.7540 4.7540 4.7729 4.7729 5.1043 5.1043 5.1392 5.1392 6.1184 6.1184 9.6097 9.6097 10.8538 10.8538 11.0782 11.0782 12.0071 12.0071 12.8492 12.8492 13.8679 13.8679 k = 0.4714 0.2722-0.0000 ( 4804 PWs) bands (ev): -13.1124 -13.1124 -12.5177 -12.5177 -11.7218 -11.7218 -11.2466 -11.2466 -10.7222 -10.7222 -10.6518 -10.6518 -10.1426 -10.1426 -10.0818 -10.0818 -7.6654 -7.6654 -7.6234 -7.6234 -7.6013 -7.6013 -2.5232 -2.5232 -1.2620 -1.2620 -0.2964 -0.2964 0.4587 0.4587 1.2320 1.2320 1.3886 1.3886 1.6978 1.6978 1.8763 1.8763 3.3264 3.3264 3.7568 3.7568 3.8255 3.8255 4.0197 4.0197 4.2235 4.2235 4.6301 4.6301 4.7515 4.7515 4.7630 4.7630 5.1081 5.1081 5.1395 5.1395 6.1318 6.1318 9.6069 9.6069 10.8566 10.8566 11.0677 11.0677 12.0007 12.0007 12.8623 12.8623 13.8626 13.8626 k = 0.4857 0.2804-0.0000 ( 4804 PWs) bands (ev): -13.1032 -13.1032 -12.5286 -12.5286 -11.7221 -11.7221 -11.2458 -11.2458 -10.7227 -10.7227 -10.6524 -10.6524 -10.1428 -10.1428 -10.0815 -10.0815 -7.6655 -7.6655 -7.6233 -7.6233 -7.6011 -7.6011 -2.5142 -2.5142 -1.2498 -1.2498 -0.3200 -0.3200 0.4583 0.4583 1.2519 1.2519 1.3867 1.3867 1.6747 1.6747 1.8771 1.8771 3.3360 3.3360 3.7551 3.7551 3.8234 3.8234 4.0148 4.0148 4.2193 4.2193 4.6496 4.6496 4.7360 4.7360 4.7660 4.7660 5.1104 5.1104 5.1398 5.1398 6.1398 6.1398 9.6052 9.6052 10.8585 10.8585 11.0610 11.0610 11.9970 11.9970 12.8702 12.8702 13.8594 13.8594 k = 0.5000 0.2887-0.0000 ( 4808 PWs) bands (ev): -13.1000 -13.1000 -12.5322 -12.5322 -11.7222 -11.7222 -11.2456 -11.2456 -10.7228 -10.7228 -10.6526 -10.6526 -10.1429 -10.1429 -10.0814 -10.0814 -7.6655 -7.6655 -7.6232 -7.6232 -7.6010 -7.6010 -2.5111 -2.5111 -1.2456 -1.2456 -0.3280 -0.3280 0.4582 0.4582 1.2594 1.2594 1.3858 1.3858 1.6665 1.6665 1.8773 1.8773 3.3393 3.3393 3.7545 3.7545 3.8227 3.8227 4.0131 4.0131 4.2178 4.2178 4.6581 4.6581 4.7286 4.7286 4.7673 4.7673 5.1112 5.1112 5.1399 5.1399 6.1425 6.1425 9.6046 9.6046 10.8592 10.8592 11.0588 11.0588 11.9957 11.9957 12.8729 12.8729 13.8583 13.8583 k = 0.5000 0.2887-0.0000 ( 4808 PWs) bands (ev): -13.1000 -13.1000 -12.5322 -12.5322 -11.7222 -11.7222 -11.2456 -11.2456 -10.7228 -10.7228 -10.6526 -10.6526 -10.1429 -10.1429 -10.0814 -10.0814 -7.6655 -7.6655 -7.6232 -7.6232 -7.6010 -7.6010 -2.5111 -2.5111 -1.2456 -1.2456 -0.3280 -0.3280 0.4582 0.4582 1.2594 1.2594 1.3858 1.3858 1.6665 1.6665 1.8773 1.8773 3.3393 3.3393 3.7545 3.7545 3.8227 3.8227 4.0131 4.0131 4.2178 4.2178 4.6581 4.6581 4.7286 4.7286 4.7673 4.7673 5.1112 5.1112 5.1399 5.1399 6.1425 6.1425 9.6046 9.6046 10.8592 10.8592 11.0588 11.0588 11.9957 11.9957 12.8729 12.8729 13.8583 13.8583 k = 0.4917 0.3031-0.0000 ( 4804 PWs) bands (ev): -13.0992 -13.0992 -12.5327 -12.5327 -11.7228 -11.7228 -11.2451 -11.2451 -10.7287 -10.7287 -10.6469 -10.6469 -10.1429 -10.1429 -10.0815 -10.0815 -7.6655 -7.6655 -7.6232 -7.6232 -7.6011 -7.6011 -2.5091 -2.5091 -1.2472 -1.2472 -0.3289 -0.3289 0.4597 0.4597 1.2512 1.2512 1.3949 1.3949 1.6676 1.6676 1.8758 1.8758 3.3285 3.3285 3.7575 3.7575 3.8213 3.8213 4.0216 4.0216 4.2192 4.2192 4.6571 4.6571 4.7293 4.7293 4.7674 4.7674 5.1105 5.1105 5.1399 5.1399 6.1427 6.1427 9.6054 9.6054 10.8564 10.8564 11.0601 11.0601 11.9936 11.9936 12.8691 12.8691 13.8632 13.8632 k = 0.4833 0.3175-0.0000 ( 4816 PWs) bands (ev): -13.0969 -13.0969 -12.5343 -12.5343 -11.7247 -11.7247 -11.2437 -11.2437 -10.7428 -10.7428 -10.6335 -10.6335 -10.1430 -10.1430 -10.0818 -10.0818 -7.6655 -7.6655 -7.6230 -7.6230 -7.6011 -7.6011 -2.5029 -2.5029 -1.2521 -1.2521 -0.3317 -0.3317 0.4641 0.4641 1.2313 1.2313 1.4171 1.4171 1.6709 1.6709 1.8711 1.8711 3.2985 3.2985 3.7557 3.7557 3.8279 3.8279 4.0440 4.0440 4.2231 4.2231 4.6542 4.6542 4.7314 4.7314 4.7676 4.7676 5.1082 5.1082 5.1400 5.1400 6.1434 6.1434 9.6079 9.6079 10.8484 10.8484 11.0637 11.0637 11.9875 11.9875 12.8582 12.8582 13.8778 13.8778 k = 0.4750 0.3320-0.0000 ( 4812 PWs) bands (ev): -13.0930 -13.0930 -12.5368 -12.5368 -11.7278 -11.7278 -11.2415 -11.2415 -10.7604 -10.7604 -10.6169 -10.6169 -10.1431 -10.1431 -10.0823 -10.0823 -7.6655 -7.6655 -7.6228 -7.6228 -7.6013 -7.6013 -2.4927 -2.4927 -1.2602 -1.2602 -0.3362 -0.3362 0.4715 0.4715 1.2065 1.2065 1.4458 1.4458 1.6763 1.6763 1.8636 1.8636 3.2542 3.2542 3.7382 3.7382 3.8540 3.8540 4.0754 4.0754 4.2297 4.2297 4.6496 4.6496 4.7348 4.7348 4.7679 4.7679 5.1046 5.1046 5.1401 5.1401 6.1444 6.1444 9.6120 9.6120 10.8356 10.8356 11.0693 11.0693 11.9775 11.9775 12.8411 12.8411 13.9008 13.9008 k = 0.4667 0.3464-0.0000 ( 4814 PWs) bands (ev): -13.0875 -13.0875 -12.5404 -12.5404 -11.7320 -11.7320 -11.2382 -11.2382 -10.7796 -10.7796 -10.5992 -10.5992 -10.1433 -10.1433 -10.0830 -10.0830 -7.6655 -7.6655 -7.6225 -7.6225 -7.6014 -7.6014 -2.4785 -2.4785 -1.2714 -1.2714 -0.3425 -0.3425 0.4817 0.4817 1.1800 1.1800 1.4772 1.4772 1.6838 1.6838 1.8538 1.8538 3.2004 3.2004 3.7118 3.7118 3.8916 3.8916 4.1120 4.1120 4.2386 4.2386 4.6433 4.6433 4.7396 4.7396 4.7681 4.7681 5.0995 5.0995 5.1400 5.1400 6.1458 6.1458 9.6177 9.6177 10.8188 10.8188 11.0759 11.0759 11.9641 11.9641 12.8190 12.8190 13.9311 13.9311 k = 0.4583 0.3608-0.0000 ( 4811 PWs) bands (ev): -13.0804 -13.0804 -12.5452 -12.5452 -11.7372 -11.7372 -11.2341 -11.2341 -10.7994 -10.7994 -10.5812 -10.5812 -10.1435 -10.1435 -10.0839 -10.0839 -7.6655 -7.6655 -7.6221 -7.6221 -7.6017 -7.6017 -2.4603 -2.4603 -1.2858 -1.2858 -0.3504 -0.3504 0.4947 0.4947 1.1535 1.1535 1.5094 1.5094 1.6932 1.6932 1.8424 1.8424 3.1402 3.1402 3.6821 3.6821 3.9341 3.9341 4.1515 4.1515 4.2499 4.2499 4.6356 4.6356 4.7456 4.7456 4.7683 4.7683 5.0931 5.0931 5.1396 5.1396 6.1477 6.1477 9.6252 9.6252 10.7985 10.7985 11.0831 11.0831 11.9478 11.9478 12.7935 12.7935 13.9668 13.9669 k = 0.4500 0.3753-0.0000 ( 4803 PWs) bands (ev): -13.0718 -13.0718 -12.5511 -12.5511 -11.7432 -11.7432 -11.2291 -11.2291 -10.8195 -10.8195 -10.5634 -10.5634 -10.1439 -10.1439 -10.0850 -10.0850 -7.6655 -7.6655 -7.6216 -7.6216 -7.6019 -7.6019 -2.4382 -2.4382 -1.3033 -1.3033 -0.3597 -0.3597 0.5103 0.5103 1.1275 1.1275 1.5407 1.5407 1.7044 1.7044 1.8307 1.8307 3.0756 3.0756 3.6514 3.6514 3.9783 3.9783 4.1925 4.1925 4.2637 4.2637 4.6267 4.6267 4.7527 4.7527 4.7685 4.7685 5.0853 5.0853 5.1386 5.1386 6.1499 6.1499 9.6343 9.6343 10.7754 10.7754 11.0902 11.0902 11.9291 11.9291 12.7659 12.7659 14.0067 14.0067 k = 0.4417 0.3897-0.0000 ( 4809 PWs) bands (ev): -13.0617 -13.0617 -12.5583 -12.5583 -11.7500 -11.7500 -11.2233 -11.2233 -10.8397 -10.8397 -10.5461 -10.5461 -10.1443 -10.1443 -10.0862 -10.0862 -7.6655 -7.6655 -7.6211 -7.6211 -7.6022 -7.6022 -2.4123 -2.4123 -1.3239 -1.3239 -0.3704 -0.3704 0.5284 0.5284 1.1024 1.1024 1.5693 1.5693 1.7173 1.7173 1.8203 1.8203 3.0080 3.0080 3.6209 3.6209 4.0225 4.0225 4.2329 4.2329 4.2807 4.2807 4.6168 4.6168 4.7604 4.7604 4.7689 4.7689 5.0764 5.0764 5.1368 5.1368 6.1524 6.1524 9.6450 9.6450 10.7498 10.7498 11.0970 11.0970 11.9087 11.9087 12.7376 12.7376 14.0492 14.0492 k = 0.4333 0.4041-0.0000 ( 4803 PWs) bands (ev): -13.0500 -13.0500 -12.5669 -12.5669 -11.7572 -11.7572 -11.2165 -11.2165 -10.8598 -10.8598 -10.5294 -10.5294 -10.1448 -10.1448 -10.0876 -10.0876 -7.6655 -7.6655 -7.6205 -7.6205 -7.6026 -7.6026 -2.3827 -2.3827 -1.3474 -1.3474 -0.3822 -0.3822 0.5487 0.5487 1.0785 1.0785 1.5925 1.5925 1.7324 1.7324 1.8138 1.8138 2.9383 2.9383 3.5910 3.5910 4.0659 4.0659 4.2684 4.2684 4.3046 4.3046 4.6060 4.6060 4.7654 4.7654 4.7727 4.7727 5.0664 5.0664 5.1340 5.1340 6.1553 6.1553 9.6575 9.6575 10.7221 10.7221 11.1031 11.1031 11.8873 11.8873 12.7095 12.7095 14.0933 14.0933 k = 0.4250 0.4186-0.0000 ( 4795 PWs) bands (ev): -13.0368 -13.0368 -12.5770 -12.5770 -11.7647 -11.7647 -11.2089 -11.2089 -10.8798 -10.8798 -10.5134 -10.5134 -10.1453 -10.1453 -10.0891 -10.0891 -7.6656 -7.6656 -7.6198 -7.6198 -7.6030 -7.6030 -2.3496 -2.3496 -1.3738 -1.3738 -0.3949 -0.3949 0.5710 0.5710 1.0558 1.0558 1.6068 1.6068 1.7504 1.7504 1.8136 1.8136 2.8673 2.8673 3.5623 3.5623 4.1076 4.1076 4.2941 4.2941 4.3397 4.3397 4.5945 4.5945 4.7655 4.7655 4.7819 4.7819 5.0555 5.0555 5.1300 5.1300 6.1584 6.1584 9.6715 9.6715 10.6926 10.6926 11.1083 11.1083 11.8655 11.8655 12.6824 12.6824 14.1379 14.1379 k = 0.4167 0.4330-0.0000 ( 4789 PWs) bands (ev): -13.0221 -13.0221 -12.5886 -12.5886 -11.7724 -11.7724 -11.2005 -11.2005 -10.8995 -10.8995 -10.4983 -10.4983 -10.1460 -10.1460 -10.0906 -10.0906 -7.6656 -7.6656 -7.6190 -7.6190 -7.6035 -7.6035 -2.3131 -2.3131 -1.4030 -1.4030 -0.4084 -0.4084 0.5951 0.5951 1.0343 1.0343 1.6102 1.6102 1.7721 1.7721 1.8213 1.8213 2.7953 2.7953 3.5349 3.5349 4.1474 4.1474 4.3140 4.3140 4.3810 4.3810 4.5824 4.5824 4.7647 4.7647 4.7925 4.7925 5.0438 5.0438 5.1245 5.1245 6.1618 6.1618 9.6869 9.6869 10.6617 10.6617 11.1127 11.1127 11.8440 11.8440 12.6570 12.6570 14.1822 14.1822 k = 0.4083 0.4474-0.0000 ( 4789 PWs) bands (ev): -13.0060 -13.0060 -12.6018 -12.6018 -11.7799 -11.7799 -11.1913 -11.1913 -10.9189 -10.9189 -10.4842 -10.4842 -10.1468 -10.1468 -10.0922 -10.0922 -7.6656 -7.6656 -7.6182 -7.6182 -7.6040 -7.6040 -2.2734 -2.2734 -1.4348 -1.4348 -0.4224 -0.4224 0.6206 0.6206 1.0141 1.0141 1.6038 1.6038 1.7967 1.7967 1.8369 1.8369 2.7230 2.7230 3.5093 3.5093 4.1848 4.1848 4.3321 4.3321 4.4238 4.4238 4.5701 4.5701 4.7634 4.7634 4.8036 4.8036 5.0316 5.0316 5.1174 5.1174 6.1654 6.1654 9.7037 9.7037 10.6297 10.6297 11.1160 11.1160 11.8233 11.8233 12.6338 12.6338 14.2254 14.2254 k = 0.4000 0.4619-0.0000 ( 4787 PWs) bands (ev): -12.9884 -12.9884 -12.6166 -12.6166 -11.7872 -11.7872 -11.1813 -11.1813 -10.9380 -10.9380 -10.4713 -10.4713 -10.1476 -10.1476 -10.0937 -10.0937 -7.6657 -7.6657 -7.6174 -7.6174 -7.6045 -7.6045 -2.2307 -2.2307 -1.4693 -1.4693 -0.4365 -0.4365 0.6471 0.6471 0.9952 0.9952 1.5907 1.5907 1.8220 1.8220 1.8595 1.8595 2.6507 2.6507 3.4855 3.4855 4.2195 4.2195 4.3496 4.3496 4.4663 4.4663 4.5576 4.5576 4.7618 4.7618 4.8149 4.8149 5.0193 5.0193 5.1086 5.1086 6.1691 6.1691 9.7216 9.7216 10.5972 10.5972 11.1184 11.1184 11.8039 11.8039 12.6130 12.6130 14.2668 14.2668 k = 0.3917 0.4763-0.0000 ( 4795 PWs) bands (ev): -12.9693 -12.9693 -12.6333 -12.6333 -11.7939 -11.7939 -11.1706 -11.1706 -10.9568 -10.9568 -10.4595 -10.4595 -10.1485 -10.1485 -10.0952 -10.0952 -7.6657 -7.6657 -7.6165 -7.6165 -7.6051 -7.6051 -2.1853 -2.1853 -1.5062 -1.5062 -0.4506 -0.4506 0.6741 0.6741 0.9776 0.9776 1.5740 1.5740 1.8467 1.8467 1.8876 1.8876 2.5788 2.5788 3.4639 3.4639 4.2514 4.2514 4.3666 4.3666 4.5072 4.5072 4.5458 4.5458 4.7598 4.7598 4.8256 4.8256 5.0074 5.0074 5.0981 5.0981 6.1728 6.1728 9.7402 9.7402 10.5648 10.5648 11.1200 11.1200 11.7861 11.7861 12.5949 12.5949 14.3057 14.3057 k = 0.3833 0.4907-0.0000 ( 4787 PWs) bands (ev): -12.9489 -12.9489 -12.6516 -12.6516 -11.8000 -11.8000 -11.1591 -11.1591 -10.9751 -10.9751 -10.4490 -10.4490 -10.1495 -10.1495 -10.0965 -10.0965 -7.6657 -7.6657 -7.6156 -7.6156 -7.6057 -7.6057 -2.1375 -2.1375 -1.5456 -1.5456 -0.4644 -0.4644 0.7011 0.7011 0.9612 0.9612 1.5560 1.5560 1.8708 1.8708 1.9190 1.9190 2.5079 2.5079 3.4447 3.4447 4.2801 4.2801 4.3830 4.3830 4.5280 4.5280 4.5525 4.5525 4.7575 4.7575 4.8351 4.8351 4.9967 4.9967 5.0860 5.0860 6.1766 6.1766 9.7590 9.7590 10.5331 10.5331 11.1207 11.1207 11.7704 11.7704 12.5795 12.5795 14.3415 14.3415 k = 0.3750 0.5052-0.0000 ( 4789 PWs) bands (ev): -12.9271 -12.9271 -12.6718 -12.6718 -11.8054 -11.8054 -11.1470 -11.1470 -10.9931 -10.9931 -10.4400 -10.4400 -10.1505 -10.1505 -10.0977 -10.0977 -7.6657 -7.6657 -7.6147 -7.6147 -7.6064 -7.6064 -2.0876 -2.0876 -1.5871 -1.5871 -0.4773 -0.4773 0.7272 0.7272 0.9462 0.9462 1.5383 1.5383 1.8951 1.8951 1.9516 1.9516 2.4385 2.4385 3.4279 3.4279 4.3053 4.3053 4.3987 4.3987 4.5175 4.5175 4.5886 4.5886 4.7546 4.7546 4.8425 4.8425 4.9882 4.9882 5.0726 5.0726 6.1802 6.1802 9.7775 9.7775 10.5031 10.5031 11.1208 11.1208 11.7568 11.7568 12.5669 12.5669 14.3733 14.3733 k = 0.3667 0.5196-0.0000 ( 4793 PWs) bands (ev): -12.9040 -12.9040 -12.6936 -12.6936 -11.8098 -11.8098 -11.1342 -11.1342 -11.0105 -11.0105 -10.4325 -10.4325 -10.1514 -10.1514 -10.0987 -10.0987 -7.6658 -7.6658 -7.6138 -7.6138 -7.6071 -7.6071 -2.0361 -2.0361 -1.6308 -1.6308 -0.4892 -0.4892 0.7515 0.7515 0.9327 0.9327 1.5222 1.5222 1.9197 1.9197 1.9839 1.9839 2.3714 2.3714 3.4139 3.4139 4.3267 4.3267 4.4135 4.4135 4.5056 4.5056 4.6239 4.6239 4.7512 4.7512 4.8467 4.8467 4.9831 4.9831 5.0583 5.0583 6.1835 6.1835 9.7948 9.7948 10.4759 10.4759 11.1205 11.1205 11.7456 11.7456 12.5570 12.5570 14.4005 14.4005 k = 0.3583 0.5340-0.0000 ( 4801 PWs) bands (ev): -12.8796 -12.8796 -12.7171 -12.7171 -11.8133 -11.8133 -11.1208 -11.1208 -11.0275 -11.0275 -10.4266 -10.4266 -10.1522 -10.1522 -10.0995 -10.0995 -7.6658 -7.6658 -7.6128 -7.6128 -7.6078 -7.6078 -1.9835 -1.9835 -1.6765 -1.6765 -0.4994 -0.4994 0.7729 0.7729 0.9211 0.9211 1.5085 1.5085 1.9448 1.9448 2.0142 2.0142 2.3080 2.3080 3.4028 3.4028 4.3439 4.3439 4.4274 4.4274 4.4940 4.4940 4.6560 4.6560 4.7469 4.7469 4.8470 4.8470 4.9823 4.9823 5.0435 5.0435 6.1865 6.1865 9.8099 9.8099 10.4527 10.4527 11.1199 11.1199 11.7369 11.7369 12.5496 12.5496 14.4223 14.4223 k = 0.3500 0.5485-0.0000 ( 4801 PWs) bands (ev): -12.8540 -12.8540 -12.7421 -12.7421 -11.8158 -11.8158 -11.1070 -11.1070 -11.0439 -11.0439 -10.4224 -10.4224 -10.1528 -10.1528 -10.1001 -10.1001 -7.6658 -7.6658 -7.6119 -7.6119 -7.6085 -7.6085 -1.9302 -1.9302 -1.7240 -1.7240 -0.5075 -0.5075 0.7898 0.7898 0.9121 0.9121 1.4981 1.4981 1.9701 1.9701 2.0395 2.0395 2.2515 2.2515 3.3947 3.3947 4.3566 4.3566 4.4401 4.4401 4.4832 4.4832 4.6836 4.6836 4.7417 4.7417 4.8440 4.8440 4.9859 4.9859 5.0291 5.0291 6.1889 6.1889 9.8218 9.8218 10.4348 10.4348 11.1193 11.1193 11.7306 11.7306 12.5446 12.5446 14.4382 14.4382 k = 0.3417 0.5629-0.0000 ( 4813 PWs) bands (ev): -12.8277 -12.8277 -12.7682 -12.7682 -11.8173 -11.8173 -11.0930 -11.0930 -11.0593 -11.0593 -10.4198 -10.4198 -10.1532 -10.1532 -10.1005 -10.1005 -7.6658 -7.6658 -7.6110 -7.6110 -7.6093 -7.6093 -1.8771 -1.8771 -1.7734 -1.7734 -0.5129 -0.5129 0.8006 0.8006 0.9065 0.9065 1.4917 1.4917 1.9944 1.9944 2.0532 2.0532 2.2097 2.2097 3.3898 3.3898 4.3643 4.3643 4.4510 4.4510 4.4735 4.4735 4.7044 4.7044 4.7361 4.7361 4.8399 4.8399 4.9927 4.9927 5.0161 5.0161 6.1905 6.1905 9.8295 9.8295 10.4234 10.4234 11.1188 11.1188 11.7268 11.7268 12.5418 12.5418 14.4479 14.4479 k = 0.3333 0.5774-0.0000 ( 4815 PWs) bands (ev): -12.8074 -12.8074 -12.7884 -12.7884 -11.8178 -11.8178 -11.0832 -11.0832 -11.0697 -11.0697 -10.4190 -10.4190 -10.1533 -10.1533 -10.1006 -10.1006 -7.6658 -7.6658 -7.6102 -7.6102 -7.6101 -7.6101 -1.8277 -1.8277 -1.8213 -1.8213 -0.5148 -0.5148 0.8042 0.8042 0.9047 0.9047 1.4895 1.4895 2.0095 2.0095 2.0517 2.0517 2.1949 2.1949 3.3881 3.3881 4.3669 4.3669 4.4572 4.4572 4.4678 4.4678 4.7129 4.7129 4.7333 4.7333 4.8377 4.8377 4.9987 4.9987 5.0081 5.0081 6.1911 6.1911 9.8321 9.8321 10.4195 10.4195 11.1186 11.1186 11.7255 11.7255 12.5409 12.5409 14.4511 14.4511 k = 0.3333 0.5774-0.0000 ( 4815 PWs) bands (ev): -12.8074 -12.8074 -12.7884 -12.7884 -11.8178 -11.8178 -11.0832 -11.0832 -11.0697 -11.0697 -10.4190 -10.4190 -10.1533 -10.1533 -10.1006 -10.1006 -7.6658 -7.6658 -7.6102 -7.6102 -7.6101 -7.6101 -1.8277 -1.8277 -1.8213 -1.8213 -0.5148 -0.5148 0.8042 0.8042 0.9047 0.9047 1.4895 1.4895 2.0095 2.0095 2.0517 2.0517 2.1949 2.1949 3.3881 3.3881 4.3669 4.3669 4.4572 4.4572 4.4678 4.4678 4.7129 4.7129 4.7333 4.7333 4.8377 4.8377 4.9987 4.9987 5.0081 5.0081 6.1911 6.1911 9.8321 9.8321 10.4195 10.4195 11.1186 11.1186 11.7255 11.7255 12.5409 12.5409 14.4511 14.4511 k = 0.3250 0.5629-0.0000 ( 4815 PWs) bands (ev): -12.8289 -12.8289 -12.7670 -12.7670 -11.8173 -11.8173 -11.0930 -11.0930 -11.0594 -11.0594 -10.4198 -10.4198 -10.1532 -10.1532 -10.1005 -10.1005 -7.6658 -7.6658 -7.6110 -7.6110 -7.6094 -7.6094 -1.8772 -1.8772 -1.7735 -1.7735 -0.5126 -0.5126 0.8010 0.8010 0.9059 0.9059 1.4916 1.4916 1.9869 1.9869 2.0655 2.0655 2.2051 2.2051 3.3898 3.3898 4.3643 4.3643 4.4518 4.4518 4.4725 4.4725 4.7070 4.7070 4.7331 4.7331 4.8406 4.8406 4.9932 4.9932 5.0154 5.0154 6.1904 6.1904 9.8295 9.8295 10.4234 10.4234 11.1189 11.1189 11.7268 11.7268 12.5417 12.5417 14.4479 14.4479 k = 0.3167 0.5485-0.0000 ( 4805 PWs) bands (ev): -12.8587 -12.8587 -12.7372 -12.7372 -11.8159 -11.8159 -11.1070 -11.1070 -11.0439 -11.0439 -10.4222 -10.4222 -10.1528 -10.1528 -10.1002 -10.1002 -7.6658 -7.6658 -7.6119 -7.6119 -7.6086 -7.6086 -1.9311 -1.9311 -1.7252 -1.7252 -0.5054 -0.5054 0.7928 0.7928 0.9083 0.9083 1.4978 1.4978 1.9424 1.9424 2.0928 2.0928 2.2267 2.2267 3.3948 3.3948 4.3567 4.3567 4.4431 4.4431 4.4786 4.4786 4.6956 4.6956 4.7279 4.7279 4.8487 4.8487 4.9874 4.9874 5.0264 5.0264 6.1881 6.1881 9.8220 9.8220 10.4349 10.4349 11.1197 11.1197 11.7306 11.7306 12.5439 12.5439 14.4385 14.4385 k = 0.3083 0.5340-0.0000 ( 4797 PWs) bands (ev): -12.8900 -12.8900 -12.7059 -12.7059 -11.8137 -11.8137 -11.1209 -11.1209 -11.0277 -11.0277 -10.4261 -10.4261 -10.1521 -10.1521 -10.0997 -10.0997 -7.6658 -7.6658 -7.6128 -7.6128 -7.6079 -7.6079 -1.9864 -1.9864 -1.6802 -1.6802 -0.4924 -0.4924 0.7811 0.7811 0.9103 0.9103 1.5075 1.5075 1.8939 1.8939 2.1238 2.1238 2.2520 2.2520 3.4032 3.4032 4.3439 4.3439 4.4337 4.4337 4.4829 4.4829 4.6822 4.6822 4.7173 4.7173 4.8598 4.8598 4.9844 4.9844 5.0375 5.0375 6.1840 6.1840 9.8105 9.8105 10.4530 10.4530 11.1213 11.1213 11.7370 11.7370 12.5471 12.5471 14.4228 14.4228 k = 0.3000 0.5196-0.0000 ( 4793 PWs) bands (ev): -12.9223 -12.9223 -12.6734 -12.6734 -11.8107 -11.8107 -11.1345 -11.1345 -11.0109 -11.0109 -10.4313 -10.4313 -10.1513 -10.1513 -10.0991 -10.0991 -7.6658 -7.6658 -7.6137 -7.6137 -7.6073 -7.6073 -2.0429 -2.0429 -1.6394 -1.6394 -0.4727 -0.4727 0.7669 0.7669 0.9112 0.9112 1.5197 1.5197 1.8458 1.8458 2.1574 2.1574 2.2782 2.2782 3.4149 3.4149 4.3257 4.3257 4.4242 4.4242 4.4850 4.4850 4.6681 4.6681 4.7037 4.7037 4.8715 4.8715 4.9839 4.9839 5.0481 5.0481 6.1775 6.1775 9.7961 9.7961 10.4766 10.4766 11.1237 11.1237 11.7460 11.7460 12.5511 12.5511 14.4011 14.4011 k = 0.2917 0.5052-0.0000 ( 4795 PWs) bands (ev): -12.9552 -12.9552 -12.6400 -12.6400 -11.8070 -11.8070 -11.1476 -11.1476 -10.9939 -10.9939 -10.4377 -10.4377 -10.1503 -10.1503 -10.0983 -10.0983 -7.6657 -7.6657 -7.6146 -7.6146 -7.6068 -7.6068 -2.1005 -2.1005 -1.6037 -1.6037 -0.4458 -0.4458 0.7510 0.7510 0.9110 0.9110 1.5335 1.5335 1.7999 1.7999 2.1932 2.1932 2.3042 2.3042 3.4297 3.4297 4.3017 4.3017 4.4152 4.4152 4.4845 4.4845 4.6541 4.6541 4.6890 4.6890 4.8826 4.8826 4.9858 4.9858 5.0579 5.0579 6.1685 6.1685 9.7801 9.7801 10.5043 10.5043 11.1270 11.1270 11.7577 11.7577 12.5555 12.5555 14.3734 14.3734 k = 0.2833 0.4907-0.0000 ( 4799 PWs) bands (ev): -12.9888 -12.9888 -12.6056 -12.6056 -11.8027 -11.8027 -11.1602 -11.1602 -10.9765 -10.9765 -10.4450 -10.4450 -10.1492 -10.1492 -10.0975 -10.0975 -7.6657 -7.6657 -7.6156 -7.6156 -7.6063 -7.6063 -2.1591 -2.1591 -1.5737 -1.5737 -0.4111 -0.4111 0.7336 0.7336 0.9100 0.9100 1.5476 1.5476 1.7571 1.7571 2.2310 2.2310 2.3298 2.3298 3.4476 3.4476 4.2720 4.2720 4.4074 4.4074 4.4810 4.4810 4.6407 4.6407 4.6742 4.6742 4.8921 4.8921 4.9896 4.9896 5.0669 5.0669 6.1565 6.1565 9.7635 9.7635 10.5346 10.5346 11.1313 11.1313 11.7722 11.7722 12.5599 12.5599 14.3401 14.3401 k = 0.2750 0.4763-0.0000 ( 4807 PWs) bands (ev): -13.0227 -13.0227 -12.5704 -12.5704 -11.7978 -11.7978 -11.1724 -11.1724 -10.9589 -10.9589 -10.4532 -10.4532 -10.1482 -10.1482 -10.0967 -10.0967 -7.6656 -7.6656 -7.6165 -7.6165 -7.6060 -7.6060 -2.2186 -2.2186 -1.5495 -1.5495 -0.3685 -0.3685 0.7150 0.7150 0.9086 0.9086 1.5605 1.5605 1.7184 1.7184 2.2703 2.2703 2.3551 2.3551 3.4685 3.4685 4.2371 4.2371 4.4009 4.4009 4.4744 4.4744 4.6279 4.6279 4.6600 4.6600 4.8998 4.8998 4.9947 4.9947 5.0748 5.0748 6.1413 6.1413 9.7472 9.7472 10.5666 10.5666 11.1367 11.1367 11.7894 11.7894 12.5640 12.5640 14.3017 14.3017 k = 0.2667 0.4619-0.0000 ( 4795 PWs) bands (ev): -13.0568 -13.0568 -12.5345 -12.5345 -11.7926 -11.7926 -11.1841 -11.1841 -10.9410 -10.9410 -10.4620 -10.4620 -10.1471 -10.1471 -10.0959 -10.0959 -7.6655 -7.6655 -7.6175 -7.6175 -7.6058 -7.6058 -2.2788 -2.2788 -1.5313 -1.5313 -0.3180 -0.3180 0.6953 0.6953 0.9072 0.9072 1.5704 1.5704 1.6854 1.6854 2.3092 2.3092 2.3818 2.3818 3.4920 3.4920 4.1979 4.1979 4.3960 4.3960 4.4645 4.4645 4.6157 4.6157 4.6467 4.6467 4.9056 4.9056 5.0008 5.0008 5.0819 5.0819 6.1226 6.1226 9.7320 9.7320 10.5989 10.5989 11.1433 11.1433 11.8095 11.8095 12.5674 12.5674 14.2594 14.2594 k = 0.2583 0.4474-0.0000 ( 4785 PWs) bands (ev): -13.0910 -13.0910 -12.4978 -12.4978 -11.7870 -11.7870 -11.1953 -11.1953 -10.9231 -10.9231 -10.4712 -10.4712 -10.1461 -10.1461 -10.0951 -10.0951 -7.6655 -7.6655 -7.6185 -7.6185 -7.6057 -7.6057 -2.3397 -2.3397 -1.5188 -1.5188 -0.2600 -0.2600 0.6748 0.6748 0.9062 0.9062 1.5734 1.5734 1.6612 1.6612 2.3439 2.3439 2.4131 2.4131 3.5180 3.5180 4.1556 4.1556 4.3927 4.3927 4.4516 4.4516 4.6039 4.6039 4.6345 4.6345 4.9093 4.9093 5.0075 5.0075 5.0881 5.0881 6.1001 6.1001 9.7183 9.7183 10.6308 10.6308 11.1510 11.1510 11.8326 11.8326 12.5696 12.5696 14.2143 14.2143 k = 0.2500 0.4330-0.0000 ( 4781 PWs) bands (ev): -13.1252 -13.1252 -12.4606 -12.4606 -11.7811 -11.7811 -11.2062 -11.2062 -10.9050 -10.9050 -10.4807 -10.4807 -10.1451 -10.1451 -10.0945 -10.0945 -7.6654 -7.6654 -7.6195 -7.6195 -7.6057 -7.6057 -2.4011 -2.4011 -1.5114 -1.5114 -0.1952 -0.1952 0.6538 0.6538 0.9060 0.9060 1.5652 1.5652 1.6499 1.6499 2.3703 2.3703 2.4529 2.4529 3.5462 3.5462 4.1112 4.1112 4.3907 4.3907 4.4360 4.4360 4.5924 4.5924 4.6231 4.6231 4.9109 4.9109 5.0144 5.0144 5.0935 5.0935 6.0737 6.0737 9.7065 9.7065 10.6614 10.6614 11.1599 11.1599 11.8586 11.8586 12.5701 12.5701 14.1678 14.1678 k = 0.2417 0.4186-0.0000 ( 4781 PWs) bands (ev): -13.1592 -13.1592 -12.4229 -12.4229 -11.7750 -11.7750 -11.2167 -11.2167 -10.8870 -10.8870 -10.4903 -10.4903 -10.1443 -10.1443 -10.0940 -10.0940 -7.6653 -7.6653 -7.6204 -7.6204 -7.6058 -7.6058 -2.4628 -2.4628 -1.5088 -1.5088 -0.1241 -0.1241 0.6324 0.6324 0.9070 0.9070 1.5475 1.5475 1.6497 1.6497 2.3882 2.3882 2.5009 2.5009 3.5763 3.5763 4.0659 4.0659 4.3898 4.3898 4.4183 4.4183 4.5808 4.5808 4.6123 4.6123 4.9107 4.9107 5.0214 5.0214 5.0983 5.0983 6.0432 6.0432 9.6968 9.6968 10.6902 10.6902 11.1699 11.1699 11.8875 11.8875 12.5686 12.5686 14.1215 14.1215 k = 0.2333 0.4041-0.0000 ( 4783 PWs) bands (ev): -13.1930 -13.1930 -12.3847 -12.3847 -11.7687 -11.7687 -11.2268 -11.2268 -10.8689 -10.8689 -10.4998 -10.4998 -10.1437 -10.1437 -10.0937 -10.0937 -7.6652 -7.6652 -7.6214 -7.6214 -7.6061 -7.6061 -2.5249 -2.5249 -1.5101 -1.5101 -0.0478 -0.0478 0.6109 0.6109 0.9092 0.9092 1.5260 1.5260 1.6546 1.6546 2.3996 2.3996 2.5542 2.5542 3.6081 3.6081 4.0207 4.0207 4.3882 4.3882 4.4007 4.4007 4.5689 4.5689 4.6019 4.6019 4.9087 4.9087 5.0282 5.0282 5.1026 5.1026 6.0085 6.0085 9.6891 9.6891 10.7167 10.7167 11.1809 11.1809 11.9193 11.9193 12.5645 12.5645 14.0767 14.0767 k = 0.2250 0.3897-0.0000 ( 4791 PWs) bands (ev): -13.2263 -13.2263 -12.3462 -12.3462 -11.7624 -11.7624 -11.2367 -11.2367 -10.8508 -10.8508 -10.5091 -10.5091 -10.1432 -10.1432 -10.0937 -10.0937 -7.6651 -7.6651 -7.6224 -7.6224 -7.6065 -7.6065 -2.5870 -2.5870 -1.5147 -1.5147 0.0331 0.0331 0.5896 0.5896 0.9131 0.9131 1.5042 1.5042 1.6609 1.6609 2.4057 2.4057 2.6110 2.6110 3.6411 3.6411 3.9768 3.9768 4.3743 4.3743 4.3952 4.3952 4.5563 4.5563 4.5919 4.5919 4.9052 4.9052 5.0346 5.0346 5.1063 5.1063 5.9696 5.9696 9.6834 9.6834 10.7405 10.7405 11.1926 11.1926 11.9537 11.9537 12.5574 12.5574 14.0348 14.0348 k = 0.2167 0.3753-0.0000 ( 4791 PWs) bands (ev): -13.2592 -13.2592 -12.3075 -12.3075 -11.7560 -11.7560 -11.2463 -11.2463 -10.8329 -10.8329 -10.5180 -10.5180 -10.1428 -10.1428 -10.0939 -10.0939 -7.6650 -7.6650 -7.6234 -7.6234 -7.6071 -7.6071 -2.6491 -2.6491 -1.5222 -1.5222 0.1177 0.1177 0.5689 0.5689 0.9186 0.9186 1.4834 1.4834 1.6675 1.6675 2.4069 2.4069 2.6701 2.6701 3.6749 3.6749 3.9353 3.9353 4.3530 4.3530 4.3968 4.3968 4.5426 4.5426 4.5824 4.5824 4.9004 4.9004 5.0406 5.0406 5.1096 5.1096 5.9266 5.9266 9.6795 9.6795 10.7617 10.7617 11.2048 11.2048 11.9907 11.9907 12.5469 12.5469 13.9972 13.9972 k = 0.2083 0.3608-0.0000 ( 4789 PWs) bands (ev): -13.2915 -13.2915 -12.2686 -12.2686 -11.7497 -11.7497 -11.2558 -11.2558 -10.8150 -10.8150 -10.5264 -10.5264 -10.1426 -10.1426 -10.0944 -10.0944 -7.6649 -7.6649 -7.6243 -7.6243 -7.6078 -7.6078 -2.7111 -2.7111 -1.5318 -1.5318 0.2051 0.2051 0.5490 0.5490 0.9260 0.9260 1.4640 1.4640 1.6739 1.6739 2.4031 2.4031 2.7308 2.7308 3.7085 3.7085 3.8974 3.8974 4.3307 4.3307 4.3994 4.3994 4.5279 4.5279 4.5736 4.5736 4.8947 4.8947 5.0461 5.0461 5.1124 5.1124 5.8795 5.8795 9.6773 9.6773 10.7800 10.7800 11.2172 11.2172 12.0299 12.0299 12.5329 12.5329 13.9648 13.9648 k = 0.2000 0.3464-0.0000 ( 4797 PWs) bands (ev): -13.3231 -13.3231 -12.2298 -12.2298 -11.7433 -11.7433 -11.2651 -11.2651 -10.7973 -10.7973 -10.5342 -10.5342 -10.1426 -10.1426 -10.0953 -10.0953 -7.6648 -7.6648 -7.6253 -7.6253 -7.6086 -7.6086 -2.7727 -2.7727 -1.5432 -1.5432 0.2943 0.2943 0.5305 0.5305 0.9353 0.9353 1.4460 1.4460 1.6801 1.6801 2.3945 2.3945 2.7923 2.7923 3.7401 3.7401 3.8656 3.8656 4.3080 4.3080 4.4019 4.4019 4.5119 4.5119 4.5659 4.5659 4.8884 4.8884 5.0509 5.0509 5.1148 5.1148 5.8284 5.8284 9.6764 9.6764 10.7956 10.7956 11.2296 11.2296 12.0707 12.0707 12.5154 12.5154 13.9385 13.9385 k = 0.1917 0.3320-0.0000 ( 4803 PWs) bands (ev): -13.3539 -13.3539 -12.1910 -12.1910 -11.7371 -11.7371 -11.2743 -11.2743 -10.7799 -10.7799 -10.5412 -10.5412 -10.1428 -10.1428 -10.0964 -10.0964 -7.6647 -7.6647 -7.6262 -7.6262 -7.6095 -7.6095 -2.8338 -2.8338 -1.5560 -1.5560 0.3836 0.3836 0.5145 0.5145 0.9468 0.9468 1.4294 1.4294 1.6861 1.6861 2.3807 2.3807 2.8541 2.8541 3.7634 3.7634 3.8464 3.8464 4.2854 4.2854 4.4035 4.4035 4.4951 4.4951 4.5598 4.5598 4.8816 4.8816 5.0550 5.0550 5.1167 5.1167 5.7736 5.7736 9.6767 9.6767 10.8086 10.8086 11.2416 11.2416 12.1126 12.1126 12.4948 12.4948 13.9189 13.9189 k = 0.1833 0.3175-0.0000 ( 4819 PWs) bands (ev): -13.3839 -13.3839 -12.1524 -12.1524 -11.7308 -11.7308 -11.2836 -11.2836 -10.7626 -10.7626 -10.5474 -10.5474 -10.1431 -10.1431 -10.0980 -10.0980 -7.6646 -7.6646 -7.6271 -7.6271 -7.6105 -7.6105 -2.8943 -2.8943 -1.5697 -1.5697 0.4620 0.4620 0.5114 0.5114 0.9607 0.9607 1.4142 1.4142 1.6923 1.6923 2.3619 2.3619 2.9157 2.9157 3.7658 3.7658 3.8524 3.8524 4.2630 4.2630 4.4030 4.4030 4.4780 4.4780 4.5557 4.5557 4.8747 4.8747 5.0584 5.0584 5.1181 5.1181 5.7152 5.7152 9.6777 9.6777 10.8189 10.8189 11.2530 11.2530 12.1543 12.1543 12.4722 12.4722 13.9066 13.9066 k = 0.1750 0.3031-0.0000 ( 4817 PWs) bands (ev): -13.4130 -13.4130 -12.1142 -12.1142 -11.7247 -11.7247 -11.2928 -11.2928 -10.7457 -10.7457 -10.5527 -10.5527 -10.1437 -10.1437 -10.0999 -10.0999 -7.6645 -7.6645 -7.6280 -7.6280 -7.6117 -7.6117 -2.9539 -2.9539 -1.5841 -1.5841 0.4727 0.4727 0.5772 0.5772 0.9774 0.9774 1.4001 1.4001 1.6988 1.6988 2.3380 2.3380 2.9764 2.9764 3.7528 3.7528 3.8779 3.8779 4.2412 4.2412 4.3994 4.3994 4.4615 4.4615 4.5543 4.5543 4.8678 4.8678 5.0610 5.0610 5.1191 5.1191 5.6536 5.6536 9.6793 9.6793 10.8267 10.8267 11.2636 11.2636 12.1938 12.1938 12.4497 12.4497 13.9015 13.9015 k = 0.1667 0.2887-0.0000 ( 4817 PWs) bands (ev): -13.4412 -13.4412 -12.0765 -12.0765 -11.7186 -11.7186 -11.3021 -11.3021 -10.7290 -10.7290 -10.5571 -10.5571 -10.1445 -10.1445 -10.1021 -10.1021 -7.6644 -7.6644 -7.6289 -7.6289 -7.6129 -7.6129 -3.0125 -3.0125 -1.5990 -1.5990 0.4624 0.4624 0.6638 0.6638 0.9975 0.9975 1.3872 1.3872 1.7060 1.7060 2.3094 2.3094 3.0358 3.0358 3.7382 3.7382 3.9089 3.9089 4.2200 4.2200 4.3920 4.3920 4.4466 4.4466 4.5562 4.5562 4.8611 4.8611 5.0628 5.0628 5.1196 5.1196 5.5888 5.5888 9.6811 9.6811 10.8320 10.8320 11.2733 11.2733 12.2270 12.2270 12.4317 12.4317 13.9036 13.9036 k = 0.1583 0.2742-0.0000 ( 4815 PWs) bands (ev): -13.4683 -13.4683 -12.0393 -12.0393 -11.7126 -11.7126 -11.3116 -11.3116 -10.7127 -10.7127 -10.5605 -10.5605 -10.1455 -10.1455 -10.1047 -10.1047 -7.6643 -7.6643 -7.6298 -7.6298 -7.6142 -7.6142 -3.0699 -3.0699 -1.6141 -1.6141 0.4520 0.4520 0.7484 0.7484 1.0223 1.0223 1.3753 1.3753 1.7142 1.7142 2.2763 2.2763 3.0932 3.0932 3.7263 3.7263 3.9402 3.9402 4.1993 4.1993 4.3814 4.3814 4.4333 4.4333 4.5612 4.5612 4.8547 4.8547 5.0638 5.0638 5.1195 5.1195 5.5213 5.5213 9.6831 9.6831 10.8348 10.8348 11.2819 11.2819 12.2463 12.2463 12.4263 12.4263 13.9126 13.9126 k = 0.1500 0.2598-0.0000 ( 4811 PWs) bands (ev): -13.4943 -13.4943 -12.0029 -12.0029 -11.7066 -11.7066 -11.3211 -11.3211 -10.6968 -10.6968 -10.5630 -10.5630 -10.1467 -10.1467 -10.1077 -10.1077 -7.6642 -7.6642 -7.6306 -7.6306 -7.6156 -7.6156 -3.1259 -3.1259 -1.6291 -1.6291 0.4431 0.4431 0.8263 0.8263 1.0540 1.0540 1.3644 1.3644 1.7240 1.7240 2.2392 2.2392 3.1482 3.1482 3.7183 3.7183 3.9694 3.9694 4.1790 4.1790 4.3700 4.3700 4.4211 4.4211 4.5693 4.5693 4.8487 4.8487 5.0639 5.0639 5.1188 5.1188 5.4513 5.4513 9.6849 9.6849 10.8349 10.8349 11.2896 11.2896 12.2450 12.2450 12.4406 12.4406 13.9280 13.9280 k = 0.1417 0.2454-0.0000 ( 4803 PWs) bands (ev): -13.5192 -13.5192 -11.9674 -11.9674 -11.7007 -11.7007 -11.3309 -11.3309 -10.6813 -10.6813 -10.5644 -10.5644 -10.1481 -10.1481 -10.1109 -10.1109 -7.6642 -7.6642 -7.6314 -7.6314 -7.6170 -7.6170 -3.1803 -3.1803 -1.6441 -1.6441 0.4361 0.4361 0.8932 0.8932 1.0956 1.0956 1.3544 1.3544 1.7358 1.7358 2.1987 2.1987 3.2001 3.2001 3.7146 3.7146 3.9952 3.9952 4.1589 4.1589 4.3602 4.3602 4.4096 4.4096 4.5800 4.5800 4.8430 4.8430 5.0632 5.0632 5.1175 5.1175 5.3792 5.3792 9.6864 9.6864 10.8324 10.8324 11.2962 11.2962 12.2267 12.2267 12.4714 12.4714 13.9493 13.9493 k = 0.1333 0.2309-0.0000 ( 4807 PWs) bands (ev): -13.5428 -13.5428 -11.9330 -11.9330 -11.6947 -11.6947 -11.3407 -11.3407 -10.6662 -10.6662 -10.5649 -10.5649 -10.1498 -10.1498 -10.1145 -10.1145 -7.6641 -7.6641 -7.6322 -7.6322 -7.6184 -7.6184 -3.2330 -3.2330 -1.6587 -1.6587 0.4310 0.4310 0.9464 0.9464 1.1482 1.1482 1.3454 1.3454 1.7506 1.7506 2.1554 2.1554 3.2486 3.2486 3.7148 3.7148 4.0161 4.0161 4.1384 4.1384 4.3538 4.3538 4.3996 4.3996 4.5927 4.5927 4.8378 4.8378 5.0616 5.0616 5.1155 5.1155 5.3054 5.3054 9.6875 9.6875 10.8273 10.8273 11.3018 11.3018 12.1998 12.1998 12.5110 12.5110 13.9760 13.9760 k = 0.1250 0.2165-0.0000 ( 4799 PWs) bands (ev): -13.5653 -13.5653 -11.8997 -11.8997 -11.6888 -11.6888 -11.3507 -11.3507 -10.6516 -10.6516 -10.5645 -10.5645 -10.1516 -10.1516 -10.1184 -10.1184 -7.6640 -7.6640 -7.6330 -7.6330 -7.6199 -7.6199 -3.2836 -3.2836 -1.6730 -1.6730 0.4280 0.4280 0.9871 0.9871 1.2088 1.2088 1.3374 1.3374 1.7693 1.7693 2.1100 2.1100 3.2931 3.2931 3.7189 3.7189 4.0309 4.0309 4.1179 4.1179 4.3492 4.3492 4.3943 4.3943 4.6070 4.6070 4.8329 4.8329 5.0592 5.0592 5.1124 5.1124 5.2306 5.2306 9.6883 9.6883 10.8195 10.8195 11.3065 11.3065 12.1697 12.1697 12.5544 12.5544 14.0075 14.0075 k = 0.1167 0.2021-0.0000 ( 4789 PWs) bands (ev): -13.5865 -13.5865 -11.8677 -11.8677 -11.6828 -11.6828 -11.3608 -11.3608 -10.6375 -10.6375 -10.5633 -10.5633 -10.1537 -10.1537 -10.1224 -10.1224 -7.6639 -7.6639 -7.6338 -7.6338 -7.6213 -7.6213 -3.3321 -3.3321 -1.6867 -1.6867 0.4269 0.4269 1.0195 1.0195 1.2709 1.2709 1.3310 1.3310 1.7932 1.7932 2.0633 2.0633 3.3334 3.3334 3.7264 3.7264 4.0385 4.0385 4.0985 4.0985 4.3413 4.3413 4.3992 4.3992 4.6224 4.6224 4.8281 4.8281 5.0559 5.0559 5.1071 5.1071 5.1566 5.1566 9.6885 9.6885 10.8092 10.8092 11.3102 11.3102 12.1392 12.1392 12.5990 12.5990 14.0432 14.0432 k = 0.1083 0.1876-0.0000 ( 4789 PWs) bands (ev): -13.6063 -13.6063 -11.8373 -11.8373 -11.6767 -11.6767 -11.3709 -11.3709 -10.6240 -10.6240 -10.5613 -10.5613 -10.1559 -10.1559 -10.1267 -10.1267 -7.6639 -7.6639 -7.6346 -7.6346 -7.6227 -7.6227 -3.3783 -3.3783 -1.6998 -1.6998 0.4277 0.4277 1.0469 1.0469 1.3170 1.3170 1.3382 1.3382 1.8235 1.8235 2.0161 2.0161 3.3692 3.3692 3.7370 3.7370 4.0360 4.0360 4.0844 4.0844 4.3286 4.3286 4.4153 4.4153 4.6387 4.6387 4.8232 4.8232 5.0511 5.0511 5.0736 5.0736 5.1108 5.1108 9.6883 9.6883 10.7964 10.7964 11.3132 11.3132 12.1099 12.1099 12.6435 12.6435 14.0826 14.0826 k = 0.1000 0.1732-0.0000 ( 4795 PWs) bands (ev): -13.6249 -13.6249 -11.8086 -11.8086 -11.6705 -11.6705 -11.3811 -11.3811 -10.6111 -10.6111 -10.5586 -10.5586 -10.1583 -10.1583 -10.1312 -10.1312 -7.6638 -7.6638 -7.6353 -7.6353 -7.6240 -7.6240 -3.4219 -3.4219 -1.7122 -1.7122 0.4303 0.4303 1.0710 1.0710 1.3163 1.3163 1.3859 1.3859 1.8603 1.8603 1.9699 1.9699 3.4004 3.4004 3.7502 3.7502 4.0222 4.0222 4.0790 4.0790 4.3126 4.3126 4.4391 4.4391 4.6556 4.6556 4.8171 4.8171 5.0005 5.0005 5.0479 5.0479 5.1027 5.1027 9.6877 9.6877 10.7816 10.7816 11.3154 11.3154 12.0826 12.0826 12.6869 12.6869 14.1252 14.1252 k = 0.0917 0.1588-0.0000 ( 4795 PWs) bands (ev): -13.6420 -13.6420 -11.7817 -11.7817 -11.6642 -11.6642 -11.3912 -11.3912 -10.5989 -10.5989 -10.5554 -10.5554 -10.1609 -10.1609 -10.1357 -10.1357 -7.6638 -7.6638 -7.6361 -7.6361 -7.6252 -7.6252 -3.4628 -3.4628 -1.7238 -1.7238 0.4345 0.4345 1.0928 1.0928 1.3126 1.3126 1.4288 1.4288 1.8940 1.8940 1.9355 1.9355 3.4270 3.4270 3.7656 3.7656 4.0026 4.0026 4.0789 4.0789 4.2948 4.2948 4.4670 4.4670 4.6728 4.6728 4.8074 4.8074 4.9321 4.9321 5.0421 5.0421 5.0960 5.0960 9.6867 9.6867 10.7650 10.7650 11.3169 11.3169 12.0578 12.0578 12.7289 12.7289 14.1703 14.1703 k = 0.0833 0.1443-0.0000 ( 4803 PWs) bands (ev): -13.6578 -13.6578 -11.7568 -11.7568 -11.6578 -11.6578 -11.4011 -11.4011 -10.5875 -10.5875 -10.5517 -10.5517 -10.1635 -10.1635 -10.1403 -10.1403 -7.6637 -7.6637 -7.6369 -7.6369 -7.6264 -7.6264 -3.5008 -3.5008 -1.7346 -1.7346 0.4401 0.4401 1.1126 1.1126 1.3098 1.3098 1.4625 1.4625 1.8688 1.8688 1.9683 1.9683 3.4492 3.4492 3.7824 3.7824 3.9826 3.9826 4.0808 4.0808 4.2757 4.2757 4.4959 4.4959 4.6900 4.6900 4.7859 4.7859 4.8779 4.8779 5.0359 5.0359 5.0885 5.0885 9.6855 9.6855 10.7470 10.7470 11.3179 11.3179 12.0358 12.0358 12.7687 12.7687 14.2174 14.2174 k = 0.0750 0.1299-0.0000 ( 4801 PWs) bands (ev): -13.6721 -13.6721 -11.7342 -11.7342 -11.6512 -11.6512 -11.4108 -11.4108 -10.5769 -10.5769 -10.5477 -10.5477 -10.1661 -10.1661 -10.1448 -10.1448 -7.6637 -7.6637 -7.6376 -7.6376 -7.6274 -7.6274 -3.5357 -3.5357 -1.7445 -1.7445 0.4468 0.4468 1.1304 1.1304 1.3081 1.3081 1.4876 1.4876 1.8276 1.8276 2.0240 2.0240 3.4671 3.4671 3.8002 3.8002 3.9651 3.9651 4.0836 4.0836 4.2556 4.2556 4.5208 4.5208 4.7069 4.7069 4.7451 4.7451 4.8500 4.8500 5.0291 5.0291 5.0800 5.0800 9.6840 9.6840 10.7283 10.7283 11.3184 11.3184 12.0166 12.0166 12.8061 12.8061 14.2660 14.2660 k = 0.0667 0.1155-0.0000 ( 4797 PWs) bands (ev): -13.6850 -13.6850 -11.7141 -11.7141 -11.6443 -11.6443 -11.4202 -11.4202 -10.5672 -10.5672 -10.5434 -10.5434 -10.1688 -10.1688 -10.1492 -10.1492 -7.6636 -7.6636 -7.6383 -7.6383 -7.6283 -7.6283 -3.5674 -3.5674 -1.7535 -1.7535 0.4544 0.4544 1.1461 1.1461 1.3077 1.3077 1.5052 1.5052 1.7880 1.7880 2.0835 2.0835 3.4810 3.4810 3.8180 3.8180 3.9523 3.9523 4.0868 4.0868 4.2348 4.2348 4.5310 4.5310 4.7021 4.7021 4.7253 4.7253 4.8394 4.8394 5.0217 5.0217 5.0703 5.0703 9.6824 9.6824 10.7094 10.7094 11.3185 11.3185 12.0002 12.0002 12.8406 12.8406 14.3155 14.3155 k = 0.0583 0.1010-0.0000 ( 4797 PWs) bands (ev): -13.6964 -13.6964 -11.6965 -11.6965 -11.6372 -11.6372 -11.4291 -11.4291 -10.5586 -10.5586 -10.5390 -10.5390 -10.1714 -10.1714 -10.1534 -10.1534 -7.6636 -7.6636 -7.6390 -7.6390 -7.6291 -7.6291 -3.5957 -3.5957 -1.7615 -1.7615 0.4626 0.4626 1.1596 1.1596 1.3087 1.3087 1.5165 1.5165 1.7522 1.7522 2.1431 2.1431 3.4910 3.4910 3.8350 3.8350 3.9461 3.9461 4.0900 4.0900 4.2134 4.2134 4.5097 4.5097 4.6886 4.6886 4.7410 4.7410 4.8348 4.8348 5.0140 5.0140 5.0593 5.0593 9.6807 9.6807 10.6909 10.6909 11.3183 11.3183 11.9864 11.9864 12.8719 12.8719 14.3650 14.3650 k = 0.0500 0.0866-0.0000 ( 4791 PWs) bands (ev): -13.7063 -13.7063 -11.6818 -11.6818 -11.6299 -11.6299 -11.4374 -11.4374 -10.5512 -10.5512 -10.5345 -10.5345 -10.1738 -10.1738 -10.1573 -10.1573 -7.6636 -7.6636 -7.6397 -7.6397 -7.6298 -7.6298 -3.6206 -3.6206 -1.7685 -1.7685 0.4708 0.4708 1.1708 1.1708 1.3108 1.3108 1.5222 1.5222 1.7213 1.7213 2.2001 2.2001 3.4974 3.4974 3.8508 3.8508 3.9480 3.9480 4.0930 4.0930 4.1917 4.1917 4.4602 4.4602 4.7023 4.7023 4.7565 4.7565 4.8326 4.8326 5.0060 5.0060 5.0470 5.0470 9.6791 9.6791 10.6735 10.6735 11.3180 11.3180 11.9750 11.9750 12.8997 12.8997 14.4137 14.4137 k = 0.0417 0.0722-0.0000 ( 4787 PWs) bands (ev): -13.7147 -13.7147 -11.6698 -11.6698 -11.6227 -11.6227 -11.4449 -11.4449 -10.5451 -10.5451 -10.5301 -10.5301 -10.1761 -10.1761 -10.1608 -10.1608 -7.6635 -7.6635 -7.6402 -7.6402 -7.6304 -7.6304 -3.6418 -3.6418 -1.7745 -1.7745 0.4788 0.4788 1.1799 1.1799 1.3138 1.3138 1.5232 1.5232 1.6962 1.6962 2.2526 2.2526 3.5007 3.5007 3.8657 3.8657 3.9581 3.9581 4.0951 4.0951 4.1702 4.1702 4.4001 4.4001 4.7270 4.7270 4.7710 4.7710 4.8318 4.8318 4.9980 4.9980 5.0337 5.0337 9.6776 9.6776 10.6576 10.6576 11.3175 11.3175 11.9658 11.9658 12.9238 12.9238 14.4606 14.4606 k = 0.0333 0.0577-0.0000 ( 4783 PWs) bands (ev): -13.7216 -13.7216 -11.6605 -11.6605 -11.6158 -11.6158 -11.4515 -11.4515 -10.5402 -10.5402 -10.5260 -10.5260 -10.1780 -10.1780 -10.1639 -10.1639 -7.6635 -7.6635 -7.6407 -7.6407 -7.6308 -7.6308 -3.6593 -3.6593 -1.7794 -1.7794 0.4862 0.4862 1.1869 1.1869 1.3173 1.3173 1.5202 1.5202 1.6774 1.6774 2.2985 2.2985 3.5014 3.5014 3.8810 3.8810 3.9749 3.9749 4.0956 4.0956 4.1496 4.1496 4.3389 4.3389 4.7539 4.7539 4.7842 4.7842 4.8321 4.8321 4.9901 4.9901 5.0195 5.0195 9.6763 9.6763 10.6439 10.6439 11.3171 11.3171 11.9587 11.9587 12.9438 12.9438 14.5041 14.5041 k = 0.0250 0.0433-0.0000 ( 4771 PWs) bands (ev): -13.7270 -13.7270 -11.6536 -11.6536 -11.6098 -11.6098 -11.4569 -11.4569 -10.5366 -10.5366 -10.5224 -10.5224 -10.1796 -10.1796 -10.1663 -10.1663 -7.6635 -7.6635 -7.6412 -7.6412 -7.6311 -7.6311 -3.6730 -3.6730 -1.7833 -1.7833 0.4924 0.4924 1.1921 1.1921 1.3208 1.3208 1.5149 1.5149 1.6644 1.6644 2.3362 2.3362 3.5005 3.5005 3.8976 3.8976 3.9968 3.9968 4.0928 4.0928 4.1316 4.1316 4.2812 4.2812 4.7780 4.7780 4.7960 4.7960 4.8338 4.8338 4.9826 4.9826 5.0054 5.0054 9.6752 9.6752 10.6327 10.6327 11.3166 11.3166 11.9533 11.9533 12.9595 12.9595 14.5423 14.5423 k = 0.0167 0.0289-0.0000 ( 4771 PWs) bands (ev): -13.7308 -13.7308 -11.6488 -11.6488 -11.6052 -11.6052 -11.4609 -11.4609 -10.5340 -10.5340 -10.5197 -10.5197 -10.1808 -10.1808 -10.1681 -10.1681 -7.6635 -7.6635 -7.6415 -7.6415 -7.6314 -7.6314 -3.6829 -3.6829 -1.7860 -1.7860 0.4971 0.4971 1.1956 1.1956 1.3237 1.3237 1.5092 1.5092 1.6564 1.6564 2.3642 2.3642 3.4990 3.4990 3.9145 3.9145 4.0222 4.0222 4.0852 4.0852 4.1175 4.1175 4.2311 4.2311 4.7945 4.7945 4.8072 4.8072 4.8378 4.8378 4.9755 4.9755 4.9930 4.9930 9.6744 9.6744 10.6244 10.6244 11.3163 11.3163 11.9496 11.9496 12.9709 12.9709 14.5728 14.5728 k = 0.0083 0.0144-0.0000 ( 4775 PWs) bands (ev): -13.7331 -13.7331 -11.6459 -11.6459 -11.6022 -11.6022 -11.4634 -11.4634 -10.5325 -10.5325 -10.5179 -10.5179 -10.1816 -10.1816 -10.1692 -10.1692 -7.6635 -7.6635 -7.6416 -7.6416 -7.6315 -7.6315 -3.6888 -3.6888 -1.7877 -1.7877 0.5001 0.5001 1.1977 1.1977 1.3256 1.3256 1.5050 1.5050 1.6521 1.6521 2.3815 2.3815 3.4977 3.4977 3.9283 3.9283 4.0496 4.0496 4.0757 4.0757 4.1040 4.1040 4.1950 4.1950 4.8021 4.8021 4.8154 4.8154 4.8440 4.8440 4.9692 4.9692 4.9848 4.9848 9.6739 9.6739 10.6194 10.6194 11.3160 11.3160 11.9474 11.9474 12.9778 12.9778 14.5927 14.5927 k = 0.0000 0.0000 0.0000 ( 4763 PWs) bands (ev): -13.7339 -13.7339 -11.6450 -11.6450 -11.6012 -11.6012 -11.4643 -11.4643 -10.5321 -10.5321 -10.5173 -10.5173 -10.1818 -10.1818 -10.1696 -10.1696 -7.6635 -7.6635 -7.6417 -7.6417 -7.6315 -7.6315 -3.6908 -3.6908 -1.7882 -1.7882 0.5011 0.5011 1.1984 1.1984 1.3263 1.3263 1.5034 1.5034 1.6507 1.6507 2.3874 2.3874 3.4972 3.4972 3.9339 3.9339 4.0693 4.0693 4.0713 4.0713 4.0905 4.0905 4.1817 4.1817 4.8042 4.8042 4.8180 4.8180 4.8474 4.8474 4.9663 4.9663 4.9822 4.9822 9.6737 9.6737 10.6177 10.6177 11.3160 11.3160 11.9467 11.9467 12.9801 12.9801 14.5997 14.5997 k = 0.0000 0.0000 0.0000 ( 4763 PWs) bands (ev): -13.7339 -13.7339 -11.6450 -11.6450 -11.6012 -11.6012 -11.4643 -11.4643 -10.5321 -10.5321 -10.5173 -10.5173 -10.1818 -10.1818 -10.1696 -10.1696 -7.6635 -7.6635 -7.6417 -7.6417 -7.6315 -7.6315 -3.6908 -3.6908 -1.7882 -1.7882 0.5011 0.5011 1.1984 1.1984 1.3263 1.3263 1.5034 1.5034 1.6507 1.6507 2.3874 2.3874 3.4972 3.4972 3.9339 3.9339 4.0693 4.0693 4.0713 4.0713 4.0905 4.0905 4.1817 4.1817 4.8042 4.8042 4.8180 4.8180 4.8474 4.8474 4.9663 4.9663 4.9822 4.9822 9.6737 9.6737 10.6177 10.6177 11.3160 11.3160 11.9467 11.9467 12.9801 12.9801 14.5997 14.5997 k = 0.0000 0.0000 0.0164 ( 4775 PWs) bands (ev): -13.7337 -13.7337 -11.6448 -11.6448 -11.6010 -11.6010 -11.4646 -11.4646 -10.5329 -10.5329 -10.5182 -10.5182 -10.1813 -10.1813 -10.1690 -10.1690 -7.6635 -7.6635 -7.6416 -7.6416 -7.6314 -7.6314 -3.6907 -3.6907 -1.7863 -1.7863 0.5007 0.5007 1.1962 1.1962 1.3244 1.3244 1.5040 1.5040 1.6513 1.6513 2.3792 2.3792 3.4996 3.4996 3.9346 3.9346 4.0684 4.0684 4.0742 4.0742 4.0909 4.0909 4.1864 4.1864 4.8036 4.8036 4.8174 4.8174 4.8489 4.8489 4.9672 4.9672 4.9830 4.9830 9.6687 9.6687 10.6211 10.6211 11.3168 11.3168 11.9463 11.9463 12.9778 12.9778 14.5931 14.5931 k = 0.0000 0.0000 0.0328 ( 4781 PWs) bands (ev): -13.7333 -13.7333 -11.6443 -11.6443 -11.6004 -11.6004 -11.4655 -11.4655 -10.5353 -10.5353 -10.5207 -10.5207 -10.1796 -10.1796 -10.1672 -10.1672 -7.6635 -7.6635 -7.6412 -7.6412 -7.6311 -7.6311 -3.6904 -3.6904 -1.7806 -1.7806 0.4997 0.4997 1.1899 1.1899 1.3187 1.3187 1.5059 1.5059 1.6530 1.6530 2.3552 2.3552 3.5067 3.5067 3.9370 3.9370 4.0685 4.0685 4.0800 4.0800 4.0921 4.0921 4.2001 4.2001 4.8018 4.8018 4.8158 4.8158 4.8538 4.8538 4.9698 4.9698 4.9855 4.9855 9.6541 9.6541 10.6313 10.6313 11.3195 11.3195 11.9452 11.9452 12.9711 12.9711 14.5740 14.5740 k = 0.0000 0.0000 0.0493 ( 4769 PWs) bands (ev): -13.7326 -13.7326 -11.6433 -11.6433 -11.5994 -11.5994 -11.4671 -11.4671 -10.5393 -10.5393 -10.5247 -10.5247 -10.1768 -10.1768 -10.1644 -10.1644 -7.6635 -7.6635 -7.6405 -7.6405 -7.6305 -7.6305 -3.6899 -3.6899 -1.7710 -1.7710 0.4980 0.4980 1.1798 1.1798 1.3096 1.3096 1.5088 1.5088 1.6555 1.6555 2.3167 2.3167 3.5177 3.5177 3.9415 3.9415 4.0700 4.0700 4.0883 4.0883 4.0941 4.0941 4.2213 4.2213 4.7990 4.7990 4.8131 4.8131 4.8622 4.8622 4.9739 4.9739 4.9894 4.9894 9.6307 9.6307 10.6472 10.6472 11.3239 11.3239 11.9435 11.9435 12.9600 12.9600 14.5438 14.5438 k = 0.0000 0.0000 0.0657 ( 4763 PWs) bands (ev): -13.7315 -13.7315 -11.6420 -11.6420 -11.5979 -11.5979 -11.4692 -11.4692 -10.5447 -10.5447 -10.5303 -10.5303 -10.1731 -10.1731 -10.1605 -10.1605 -7.6635 -7.6635 -7.6396 -7.6396 -7.6297 -7.6297 -3.6892 -3.6892 -1.7576 -1.7576 0.4956 0.4956 1.1663 1.1663 1.2973 1.2973 1.5122 1.5122 1.6587 1.6587 2.2652 2.2652 3.5315 3.5315 3.9490 3.9490 4.0729 4.0729 4.0969 4.0969 4.0990 4.0990 4.2479 4.2479 4.7953 4.7953 4.8097 4.8097 4.8750 4.8750 4.9794 4.9794 4.9945 4.9945 9.5996 9.5996 10.6676 10.6676 11.3300 11.3300 11.9418 11.9418 12.9447 12.9447 14.5042 14.5042 k = 0.0000 0.0000 0.0821 ( 4769 PWs) bands (ev): -13.7303 -13.7303 -11.6403 -11.6403 -11.5961 -11.5961 -11.4719 -11.4719 -10.5515 -10.5515 -10.5372 -10.5372 -10.1685 -10.1685 -10.1557 -10.1557 -7.6635 -7.6635 -7.6384 -7.6384 -7.6287 -7.6287 -3.6884 -3.6884 -1.7405 -1.7405 0.4925 0.4925 1.1498 1.1498 1.2823 1.2823 1.5160 1.5160 1.6621 1.6621 2.2028 2.2028 3.5471 3.5471 3.9598 3.9598 4.0769 4.0769 4.1004 4.1004 4.1122 4.1122 4.2776 4.2776 4.7909 4.7909 4.8056 4.8056 4.8927 4.8927 4.9860 4.9860 5.0008 5.0008 9.5619 9.5619 10.6907 10.6907 11.3378 11.3378 11.9403 11.9403 12.9255 12.9255 14.4573 14.4573 k = 0.0000 0.0000 0.0985 ( 4774 PWs) bands (ev): -13.7287 -13.7287 -11.6383 -11.6383 -11.5939 -11.5939 -11.4751 -11.4751 -10.5594 -10.5594 -10.5452 -10.5452 -10.1633 -10.1633 -10.1501 -10.1501 -7.6634 -7.6634 -7.6370 -7.6370 -7.6275 -7.6275 -3.6874 -3.6874 -1.7196 -1.7196 0.4888 0.4888 1.1310 1.1310 1.2651 1.2651 1.5197 1.5197 1.6655 1.6655 2.1313 2.1313 3.5636 3.5636 3.9743 3.9743 4.0819 4.0819 4.1046 4.1046 4.1278 4.1278 4.3078 4.3078 4.7860 4.7860 4.8010 4.8010 4.9164 4.9164 4.9935 4.9935 5.0079 5.0079 9.5191 9.5191 10.7153 10.7153 11.3471 11.3471 11.9397 11.9397 12.9026 12.9026 14.4047 14.4047 k = 0.0000 0.0000 0.1150 ( 4774 PWs) bands (ev): -13.7269 -13.7269 -11.6360 -11.6360 -11.5914 -11.5914 -11.4789 -11.4789 -10.5683 -10.5683 -10.5543 -10.5543 -10.1574 -10.1574 -10.1440 -10.1440 -7.6634 -7.6634 -7.6354 -7.6354 -7.6261 -7.6261 -3.6862 -3.6862 -1.6949 -1.6949 0.4846 0.4846 1.1103 1.1103 1.2461 1.2461 1.5231 1.5231 1.6687 1.6687 2.0524 2.0524 3.5805 3.5805 3.9926 3.9926 4.0878 4.0878 4.1093 4.1093 4.1458 4.1458 4.3365 4.3365 4.7808 4.7808 4.7962 4.7962 4.9469 4.9469 5.0017 5.0017 5.0157 5.0157 9.4722 9.4722 10.7396 10.7396 11.3579 11.3579 11.9407 11.9407 12.8765 12.8765 14.3479 14.3479 k = 0.0000 0.0000 0.1314 ( 4774 PWs) bands (ev): -13.7249 -13.7249 -11.6333 -11.6333 -11.5885 -11.5885 -11.4831 -11.4831 -10.5781 -10.5781 -10.5643 -10.5643 -10.1512 -10.1512 -10.1373 -10.1373 -7.6634 -7.6634 -7.6335 -7.6335 -7.6245 -7.6245 -3.6849 -3.6849 -1.6666 -1.6666 0.4798 0.4798 1.0881 1.0881 1.2256 1.2256 1.5259 1.5259 1.6715 1.6715 1.9675 1.9675 3.5974 3.5974 4.0145 4.0145 4.0943 4.0943 4.1147 4.1147 4.1661 4.1661 4.3618 4.3618 4.7754 4.7754 4.7911 4.7911 4.9847 4.9847 5.0103 5.0103 5.0239 5.0239 9.4220 9.4220 10.7624 10.7624 11.3700 11.3700 11.9441 11.9441 12.8475 12.8475 14.2880 14.2880 k = 0.0000 0.0000 0.1478 ( 4774 PWs) bands (ev): -13.7227 -13.7227 -11.6303 -11.6303 -11.5852 -11.5852 -11.4877 -11.4877 -10.5885 -10.5885 -10.5749 -10.5749 -10.1446 -10.1446 -10.1303 -10.1303 -7.6634 -7.6634 -7.6315 -7.6315 -7.6227 -7.6227 -3.6835 -3.6835 -1.6347 -1.6347 0.4746 0.4746 1.0649 1.0649 1.2042 1.2042 1.5279 1.5279 1.6737 1.6737 1.8779 1.8779 3.6142 3.6142 4.0397 4.0397 4.1015 4.1015 4.1205 4.1205 4.1884 4.1884 4.3825 4.3825 4.7700 4.7700 4.7861 4.7861 5.0190 5.0190 5.0300 5.0300 5.0324 5.0324 9.3695 9.3695 10.7825 10.7825 11.3833 11.3833 11.9505 11.9505 12.8159 12.8159 14.2259 14.2259 k = 0.0000 0.0000 0.1642 ( 4792 PWs) bands (ev): -13.7202 -13.7202 -11.6271 -11.6271 -11.5817 -11.5817 -11.4927 -11.4927 -10.5995 -10.5995 -10.5861 -10.5861 -10.1379 -10.1379 -10.1231 -10.1231 -7.6634 -7.6634 -7.6293 -7.6293 -7.6208 -7.6208 -3.6819 -3.6819 -1.5992 -1.5992 0.4689 0.4689 1.0409 1.0409 1.1819 1.1819 1.5290 1.5290 1.6752 1.6752 1.7847 1.7847 3.6308 3.6308 4.0680 4.0680 4.1092 4.1092 4.1268 4.1268 4.2126 4.2126 4.3982 4.3982 4.7647 4.7647 4.7811 4.7811 5.0280 5.0280 5.0409 5.0409 5.0819 5.0819 9.3153 9.3153 10.7990 10.7990 11.3977 11.3977 11.9606 11.9606 12.7823 12.7823 14.1624 14.1624 k = 0.0000 0.0000 0.1807 ( 4792 PWs) bands (ev): -13.7177 -13.7177 -11.6237 -11.6237 -11.5779 -11.5779 -11.4981 -11.4981 -10.6109 -10.6109 -10.5977 -10.5977 -10.1310 -10.1310 -10.1157 -10.1157 -7.6634 -7.6634 -7.6270 -7.6270 -7.6188 -7.6188 -3.6803 -3.6803 -1.5602 -1.5602 0.4628 0.4628 1.0165 1.0165 1.1593 1.1593 1.5284 1.5284 1.6760 1.6760 1.6894 1.6894 3.6472 3.6472 4.0987 4.0987 4.1172 4.1172 4.1335 4.1335 4.2384 4.2384 4.4088 4.4088 4.7597 4.7597 4.7764 4.7764 5.0368 5.0368 5.0493 5.0493 5.1399 5.1399 9.2599 9.2599 10.8112 10.8112 11.4131 11.4131 11.9750 11.9750 12.7470 12.7470 14.0978 14.0978 k = 0.0000 0.0000 0.1971 ( 4780 PWs) bands (ev): -13.7150 -13.7150 -11.6200 -11.6200 -11.5739 -11.5739 -11.5036 -11.5036 -10.6226 -10.6226 -10.6096 -10.6096 -10.1242 -10.1242 -10.1083 -10.1083 -7.6634 -7.6634 -7.6246 -7.6246 -7.6167 -7.6167 -3.6785 -3.6785 -1.5177 -1.5177 0.4564 0.4564 0.9920 0.9920 1.1365 1.1365 1.5227 1.5227 1.5962 1.5962 1.6761 1.6761 3.6635 3.6635 4.1255 4.1255 4.1302 4.1302 4.1419 4.1419 4.2657 4.2657 4.4149 4.4149 4.7549 4.7549 4.7719 4.7719 5.0454 5.0454 5.0575 5.0575 5.2028 5.2028 9.2040 9.2040 10.8187 10.8187 11.4292 11.4292 11.9940 11.9940 12.7106 12.7106 14.0325 14.0325 k = 0.0000 0.0000 0.2135 ( 4780 PWs) bands (ev): -13.7121 -13.7121 -11.6161 -11.6161 -11.5697 -11.5697 -11.5094 -11.5094 -10.6343 -10.6343 -10.6217 -10.6217 -10.1174 -10.1174 -10.1010 -10.1010 -7.6634 -7.6634 -7.6221 -7.6221 -7.6145 -7.6145 -3.6767 -3.6767 -1.4718 -1.4718 0.4498 0.4498 0.9677 0.9677 1.1137 1.1137 1.4738 1.4738 1.5436 1.5436 1.6755 1.6755 3.6799 3.6799 4.1339 4.1339 4.1456 4.1456 4.1681 4.1681 4.2941 4.2941 4.4171 4.4171 4.7505 4.7505 4.7677 4.7677 5.0535 5.0535 5.0653 5.0653 5.2692 5.2692 9.1477 9.1477 10.8214 10.8214 11.4459 11.4459 12.0179 12.0179 12.6733 12.6733 13.9670 13.9670 k = 0.0000 0.0000 0.2299 ( 4804 PWs) bands (ev): -13.7092 -13.7092 -11.6121 -11.6121 -11.5653 -11.5653 -11.5153 -11.5153 -10.6462 -10.6462 -10.6338 -10.6338 -10.1108 -10.1108 -10.0938 -10.0938 -7.6634 -7.6634 -7.6195 -7.6195 -7.6123 -7.6123 -3.6748 -3.6748 -1.4226 -1.4226 0.4429 0.4429 0.9436 0.9436 1.0913 1.0913 1.3782 1.3782 1.5359 1.5359 1.6743 1.6743 3.6963 3.6963 4.1424 4.1424 4.1531 4.1531 4.2034 4.2034 4.3233 4.3233 4.4160 4.4160 4.7466 4.7466 4.7640 4.7640 5.0610 5.0610 5.0726 5.0726 5.3379 5.3379 9.0917 9.0917 10.8193 10.8193 11.4629 11.4629 12.0466 12.0466 12.6356 12.6356 13.9012 13.9012 k = 0.0000 0.0000 0.2463 ( 4804 PWs) bands (ev): -13.7063 -13.7063 -11.6080 -11.6080 -11.5608 -11.5608 -11.5213 -11.5213 -10.6579 -10.6579 -10.6458 -10.6458 -10.1044 -10.1044 -10.0868 -10.0868 -7.6634 -7.6634 -7.6170 -7.6170 -7.6100 -7.6100 -3.6730 -3.6730 -1.3701 -1.3701 0.4360 0.4360 0.9200 0.9200 1.0693 1.0693 1.2766 1.2766 1.5327 1.5327 1.6726 1.6726 3.7127 3.7127 4.1508 4.1508 4.1602 4.1602 4.2394 4.2394 4.3530 4.3530 4.4125 4.4125 4.7434 4.7434 4.7609 4.7609 5.0678 5.0678 5.0792 5.0792 5.4080 5.4080 9.0361 9.0361 10.8130 10.8130 11.4803 11.4803 12.0800 12.0800 12.5980 12.5980 13.8355 13.8355 k = 0.0000 0.0000 0.2628 ( 4780 PWs) bands (ev): -13.7034 -13.7034 -11.6039 -11.6039 -11.5562 -11.5562 -11.5273 -11.5273 -10.6695 -10.6695 -10.6577 -10.6577 -10.0982 -10.0982 -10.0801 -10.0801 -7.6634 -7.6634 -7.6144 -7.6144 -7.6077 -7.6077 -3.6711 -3.6711 -1.3145 -1.3145 0.4290 0.4290 0.8969 0.8969 1.0480 1.0480 1.1736 1.1736 1.5301 1.5301 1.6704 1.6704 3.7293 3.7293 4.1590 4.1590 4.1673 4.1673 4.2751 4.2751 4.3828 4.3828 4.4073 4.4073 4.7410 4.7410 4.7585 4.7585 5.0738 5.0738 5.0850 5.0850 5.4784 5.4784 8.9814 8.9814 10.8029 10.8029 11.4977 11.4977 12.1176 12.1176 12.5608 12.5608 13.7699 13.7699 k = 0.0000 0.0000 0.2792 ( 4774 PWs) bands (ev): -13.7004 -13.7004 -11.5997 -11.5997 -11.5516 -11.5516 -11.5333 -11.5333 -10.6807 -10.6807 -10.6693 -10.6693 -10.0923 -10.0923 -10.0736 -10.0736 -7.6634 -7.6634 -7.6118 -7.6118 -7.6055 -7.6055 -3.6692 -3.6692 -1.2557 -1.2557 0.4221 0.4221 0.8743 0.8743 1.0275 1.0275 1.0705 1.0705 1.5275 1.5275 1.6678 1.6678 3.7460 3.7460 4.1670 4.1670 4.1741 4.1741 4.3087 4.3087 4.4020 4.4020 4.4123 4.4123 4.7396 4.7396 4.7569 4.7569 5.0787 5.0787 5.0900 5.0900 5.5483 5.5483 8.9279 8.9279 10.7898 10.7898 11.5149 11.5149 12.1590 12.1590 12.5245 12.5245 13.7045 13.7045 k = 0.0000 0.0000 0.2956 ( 4786 PWs) bands (ev): -13.6975 -13.6975 -11.5956 -11.5956 -11.5471 -11.5471 -11.5391 -11.5391 -10.6916 -10.6916 -10.6805 -10.6805 -10.0868 -10.0868 -10.0675 -10.0675 -7.6634 -7.6634 -7.6093 -7.6093 -7.6033 -7.6033 -3.6674 -3.6674 -1.1940 -1.1940 0.4153 0.4153 0.8513 0.8513 0.9686 0.9686 1.0080 1.0080 1.5247 1.5247 1.6649 1.6649 3.7628 3.7628 4.1748 4.1748 4.1807 4.1807 4.3361 4.3361 4.4005 4.4005 4.4411 4.4411 4.7393 4.7393 4.7564 4.7564 5.0825 5.0825 5.0939 5.0939 5.6168 5.6168 8.8758 8.8758 10.7742 10.7742 11.5317 11.5317 12.2039 12.2039 12.4892 12.4892 13.6394 13.6394 k = 0.0000 0.0000 0.3120 ( 4798 PWs) bands (ev): -13.6947 -13.6947 -11.5915 -11.5915 -11.5447 -11.5447 -11.5426 -11.5426 -10.7020 -10.7020 -10.6912 -10.6912 -10.0816 -10.0816 -10.0618 -10.0618 -7.6634 -7.6634 -7.6069 -7.6069 -7.6011 -7.6011 -3.6656 -3.6656 -1.1294 -1.1294 0.4086 0.4086 0.8200 0.8200 0.8763 0.8763 0.9896 0.9896 1.5218 1.5218 1.6619 1.6619 3.7795 3.7795 4.1821 4.1821 4.1870 4.1870 4.3484 4.3484 4.4114 4.4114 4.4687 4.4687 4.7405 4.7405 4.7570 4.7570 5.0851 5.0851 5.0968 5.0968 5.6832 5.6832 8.8257 8.8257 10.7570 10.7570 11.5481 11.5481 12.2517 12.2517 12.4555 12.4555 13.5745 13.5745 k = 0.0000 0.0000 0.3285 ( 4780 PWs) bands (ev): -13.6921 -13.6921 -11.5876 -11.5876 -11.5501 -11.5501 -11.5382 -11.5382 -10.7118 -10.7118 -10.7014 -10.7014 -10.0767 -10.0767 -10.0564 -10.0564 -7.6634 -7.6634 -7.6045 -7.6045 -7.5991 -7.5991 -3.6639 -3.6639 -1.0619 -1.0619 0.4022 0.4022 0.7448 0.7448 0.8296 0.8296 0.9724 0.9724 1.5189 1.5189 1.6588 1.6588 3.7961 3.7961 4.1890 4.1890 4.1930 4.1930 4.3455 4.3455 4.4346 4.4346 4.4946 4.4946 4.7433 4.7433 4.7590 4.7590 5.0864 5.0864 5.0986 5.0986 5.7469 5.7469 8.7778 8.7778 10.7389 10.7389 11.5637 11.5637 12.3019 12.3019 12.4236 12.4236 13.5100 13.5100 k = 0.0000 0.0000 0.3449 ( 4768 PWs) bands (ev): -13.6895 -13.6895 -11.5838 -11.5838 -11.5552 -11.5552 -11.5340 -11.5340 -10.7210 -10.7210 -10.7109 -10.7109 -10.0723 -10.0723 -10.0516 -10.0516 -7.6634 -7.6634 -7.6024 -7.6024 -7.5972 -7.5972 -3.6623 -3.6623 -0.9918 -0.9918 0.3961 0.3961 0.6461 0.6461 0.8083 0.8083 0.9565 0.9565 1.5160 1.5160 1.6557 1.6557 3.8125 3.8125 4.1955 4.1955 4.1987 4.1987 4.3362 4.3362 4.4607 4.4607 4.5182 4.5182 4.7482 4.7482 4.7627 4.7627 5.0864 5.0864 5.0993 5.0993 5.8071 5.8071 8.7325 8.7325 10.7205 10.7205 11.5785 11.5785 12.3543 12.3543 12.3938 12.3938 13.4458 13.4458 k = 0.0000 0.0000 0.3613 ( 4780 PWs) bands (ev): -13.6872 -13.6872 -11.5803 -11.5803 -11.5599 -11.5599 -11.5301 -11.5301 -10.7295 -10.7295 -10.7197 -10.7197 -10.0683 -10.0683 -10.0471 -10.0471 -7.6635 -7.6635 -7.6003 -7.6003 -7.5954 -7.5954 -3.6609 -3.6609 -0.9191 -0.9191 0.3903 0.3903 0.5451 0.5451 0.7919 0.7919 0.9421 0.9421 1.5133 1.5133 1.6526 1.6526 3.8285 3.8285 4.2013 4.2013 4.2038 4.2038 4.3247 4.3247 4.4854 4.4854 4.5391 4.5391 4.7553 4.7553 4.7680 4.7680 5.0851 5.0851 5.0990 5.0990 5.8632 5.8632 8.6902 8.6902 10.7023 10.7023 11.5921 11.5921 12.3664 12.3664 12.4084 12.4084 13.3820 13.3820 k = 0.0000 0.0000 0.3777 ( 4780 PWs) bands (ev): -13.6850 -13.6850 -11.5770 -11.5770 -11.5642 -11.5642 -11.5264 -11.5264 -10.7371 -10.7371 -10.7277 -10.7277 -10.0648 -10.0648 -10.0432 -10.0432 -7.6635 -7.6635 -7.5985 -7.5985 -7.5938 -7.5938 -3.6595 -3.6595 -0.8439 -0.8439 0.3841 0.3841 0.4450 0.4450 0.7778 0.7778 0.9291 0.9291 1.5106 1.5106 1.6497 1.6497 3.8439 3.8439 4.2066 4.2066 4.2085 4.2085 4.3126 4.3126 4.5070 4.5070 4.5569 4.5569 4.7647 4.7647 4.7751 4.7751 5.0825 5.0825 5.0977 5.0977 5.9147 5.9147 8.6514 8.6514 10.6851 10.6851 11.6046 11.6046 12.3416 12.3416 12.4640 12.4640 13.3185 13.3185 k = 0.0000 0.0000 0.3942 ( 4780 PWs) bands (ev): -13.6831 -13.6831 -11.5741 -11.5741 -11.5680 -11.5680 -11.5231 -11.5231 -10.7439 -10.7439 -10.7348 -10.7348 -10.0617 -10.0617 -10.0397 -10.0397 -7.6635 -7.6635 -7.5969 -7.5969 -7.5923 -7.5923 -3.6583 -3.6583 -0.7664 -0.7664 0.3405 0.3405 0.3838 0.3838 0.7657 0.7657 0.9178 0.9178 1.5082 1.5082 1.6471 1.6471 3.8584 3.8584 4.2113 4.2113 4.2127 4.2127 4.3004 4.3004 4.5250 4.5250 4.5716 4.5716 4.7760 4.7760 4.7835 4.7835 5.0787 5.0787 5.0955 5.0955 5.9609 5.9609 8.6166 8.6166 10.6692 10.6692 11.6157 11.6157 12.3197 12.3197 12.5207 12.5207 13.2554 13.2554 k = 0.0000 0.0000 0.4106 ( 4780 PWs) bands (ev): -13.6814 -13.6814 -11.5720 -11.5720 -11.5708 -11.5708 -11.5203 -11.5203 -10.7498 -10.7498 -10.7409 -10.7409 -10.0590 -10.0590 -10.0368 -10.0368 -7.6635 -7.6635 -7.5954 -7.5954 -7.5911 -7.5911 -3.6573 -3.6573 -0.6868 -0.6868 0.2432 0.2432 0.3781 0.3781 0.7555 0.7555 0.9080 0.9080 1.5061 1.5061 1.6448 1.6448 3.8716 3.8716 4.2153 4.2153 4.2163 4.2163 4.2889 4.2889 4.5392 4.5392 4.5832 4.5832 4.7887 4.7887 4.7929 4.7929 5.0741 5.0741 5.0928 5.0928 6.0011 6.0011 8.5861 8.5861 10.6550 10.6550 11.6253 11.6253 12.3008 12.3008 12.5784 12.5784 13.1926 13.1926 k = 0.0000 0.0000 0.4270 ( 4792 PWs) bands (ev): -13.6800 -13.6800 -11.5742 -11.5742 -11.5692 -11.5692 -11.5178 -11.5178 -10.7547 -10.7547 -10.7460 -10.7460 -10.0569 -10.0569 -10.0344 -10.0344 -7.6635 -7.6635 -7.5943 -7.5943 -7.5900 -7.5900 -3.6564 -3.6564 -0.6055 -0.6055 0.1462 0.1462 0.3744 0.3744 0.7471 0.7471 0.9000 0.9000 1.5043 1.5043 1.6428 1.6428 3.8833 3.8833 4.2186 4.2186 4.2193 4.2193 4.2784 4.2784 4.5499 4.5499 4.5919 4.5919 4.8018 4.8018 4.8024 4.8024 5.0690 5.0690 5.0897 5.0897 6.0350 6.0350 8.5604 8.5604 10.6430 10.6430 11.6333 11.6333 12.2851 12.2851 12.6367 12.6367 13.1304 13.1304 k = 0.0000 0.0000 0.4434 ( 4792 PWs) bands (ev): -13.6789 -13.6789 -11.5763 -11.5763 -11.5676 -11.5676 -11.5159 -11.5159 -10.7585 -10.7585 -10.7500 -10.7500 -10.0552 -10.0552 -10.0325 -10.0325 -7.6635 -7.6635 -7.5933 -7.5933 -7.5892 -7.5892 -3.6557 -3.6557 -0.5230 -0.5230 0.0513 0.0513 0.3717 0.3717 0.7406 0.7406 0.8937 0.8937 1.5029 1.5029 1.6412 1.6412 3.8930 3.8930 4.2212 4.2212 4.2218 4.2218 4.2696 4.2696 4.5575 4.5575 4.5982 4.5982 4.8111 4.8111 4.8139 4.8139 5.0639 5.0639 5.0867 5.0867 6.0619 6.0619 8.5399 8.5399 10.6333 10.6333 11.6397 11.6397 12.2727 12.2727 12.6955 12.6955 13.0687 13.0687 k = 0.0000 0.0000 0.4598 ( 4774 PWs) bands (ev): -13.6781 -13.6781 -11.5779 -11.5779 -11.5663 -11.5663 -11.5145 -11.5145 -10.7613 -10.7613 -10.7529 -10.7529 -10.0539 -10.0539 -10.0311 -10.0311 -7.6635 -7.6635 -7.5926 -7.5926 -7.5886 -7.5886 -3.6552 -3.6552 -0.4409 -0.4409 -0.0396 -0.0396 0.3697 0.3697 0.7359 0.7359 0.8892 0.8892 1.5018 1.5018 1.6400 1.6400 3.9003 3.9003 4.2231 4.2231 4.2235 4.2235 4.2629 4.2629 4.5627 4.5627 4.6024 4.6024 4.8181 4.8181 4.8240 4.8240 5.0594 5.0594 5.0841 5.0841 6.0814 6.0814 8.5250 8.5250 10.6262 10.6262 11.6443 11.6443 12.2639 12.2639 12.7541 12.7541 13.0081 13.0081 k = 0.0000 0.0000 0.4763 ( 4774 PWs) bands (ev): -13.6777 -13.6777 -11.5788 -11.5788 -11.5656 -11.5656 -11.5137 -11.5137 -10.7629 -10.7629 -10.7546 -10.7546 -10.0532 -10.0532 -10.0303 -10.0303 -7.6635 -7.6635 -7.5922 -7.5922 -7.5882 -7.5882 -3.6549 -3.6549 -0.3648 -0.3648 -0.1211 -0.1211 0.3686 0.3686 0.7331 0.7331 0.8865 0.8865 1.5012 1.5012 1.6393 1.6393 3.9049 3.9049 4.2243 4.2243 4.2246 4.2246 4.2586 4.2586 4.5656 4.5656 4.6048 4.6048 4.8227 4.8227 4.8306 4.8306 5.0564 5.0564 5.0824 5.0824 6.0933 6.0933 8.5160 8.5160 10.6219 10.6219 11.6471 11.6471 12.2585 12.2585 12.8105 12.8105 12.9505 12.9505 k = 0.0000 0.0000 0.4927 ( 4762 PWs) bands (ev): -13.6775 -13.6775 -11.5792 -11.5792 -11.5653 -11.5653 -11.5134 -11.5134 -10.7635 -10.7635 -10.7552 -10.7552 -10.0530 -10.0530 -10.0300 -10.0300 -7.6635 -7.6635 -7.5921 -7.5921 -7.5881 -7.5881 -3.6548 -3.6548 -0.3236 -0.3236 -0.1641 -0.1641 0.3682 0.3682 0.7322 0.7322 0.8856 0.8856 1.5010 1.5010 1.6391 1.6391 3.9064 3.9064 4.2247 4.2247 4.2250 4.2250 4.2572 4.2572 4.5665 4.5665 4.6055 4.6055 4.8243 4.8243 4.8329 4.8329 5.0553 5.0553 5.0818 5.0818 6.0973 6.0973 8.5129 8.5129 10.6205 10.6205 11.6480 11.6480 12.2567 12.2567 12.8465 12.8465 12.9142 12.9142 k = 0.0000 0.0000 0.4927 ( 4762 PWs) bands (ev): -13.6775 -13.6775 -11.5792 -11.5792 -11.5653 -11.5653 -11.5134 -11.5134 -10.7635 -10.7635 -10.7552 -10.7552 -10.0530 -10.0530 -10.0300 -10.0300 -7.6635 -7.6635 -7.5921 -7.5921 -7.5881 -7.5881 -3.6548 -3.6548 -0.3236 -0.3236 -0.1641 -0.1641 0.3682 0.3682 0.7322 0.7322 0.8856 0.8856 1.5010 1.5010 1.6391 1.6391 3.9064 3.9064 4.2247 4.2247 4.2250 4.2250 4.2572 4.2572 4.5665 4.5665 4.6055 4.6055 4.8243 4.8243 4.8329 4.8329 5.0553 5.0553 5.0818 5.0818 6.0973 6.0973 8.5129 8.5129 10.6205 10.6205 11.6480 11.6480 12.2567 12.2567 12.8465 12.8465 12.9142 12.9142 k = 0.0143 0.0082 0.4927 ( 4774 PWs) bands (ev): -13.6768 -13.6768 -11.5797 -11.5797 -11.5654 -11.5654 -11.5143 -11.5143 -10.7631 -10.7631 -10.7549 -10.7549 -10.0532 -10.0532 -10.0303 -10.0303 -7.6635 -7.6635 -7.5922 -7.5922 -7.5882 -7.5882 -3.6530 -3.6530 -0.3246 -0.3246 -0.1674 -0.1674 0.3681 0.3681 0.7346 0.7346 0.8883 0.8883 1.5026 1.5026 1.6406 1.6406 3.9066 3.9066 4.1952 4.1952 4.2242 4.2242 4.2838 4.2838 4.5655 4.5655 4.6043 4.6043 4.8218 4.8218 4.8308 4.8308 5.0562 5.0562 5.0825 5.0825 6.0977 6.0977 8.5170 8.5170 10.6197 10.6197 11.6463 11.6463 12.2572 12.2572 12.8461 12.8461 12.9181 12.9181 k = 0.0286 0.0165 0.4927 ( 4778 PWs) bands (ev): -13.6746 -13.6746 -11.5815 -11.5815 -11.5658 -11.5658 -11.5168 -11.5168 -10.7620 -10.7620 -10.7538 -10.7538 -10.0539 -10.0539 -10.0309 -10.0309 -7.6635 -7.6635 -7.5925 -7.5925 -7.5885 -7.5885 -3.6477 -3.6477 -0.3275 -0.3275 -0.1769 -0.1769 0.3680 0.3680 0.7419 0.7419 0.8966 0.8966 1.5074 1.5074 1.6453 1.6453 3.9069 3.9069 4.1510 4.1510 4.2223 4.2223 4.3191 4.3191 4.5619 4.5619 4.6012 4.6012 4.8146 4.8146 4.8248 4.8248 5.0589 5.0589 5.0844 5.0844 6.0990 6.0990 8.5292 8.5292 10.6174 10.6174 11.6411 11.6411 12.2586 12.2586 12.8449 12.8449 12.9298 12.9298 k = 0.0429 0.0247 0.4927 ( 4790 PWs) bands (ev): -13.6711 -13.6711 -11.5850 -11.5850 -11.5666 -11.5666 -11.5204 -11.5204 -10.7605 -10.7605 -10.7519 -10.7519 -10.0550 -10.0550 -10.0321 -10.0321 -7.6635 -7.6635 -7.5929 -7.5929 -7.5889 -7.5889 -3.6388 -3.6388 -0.3325 -0.3325 -0.1922 -0.1922 0.3675 0.3675 0.7532 0.7532 0.9107 0.9107 1.5149 1.5149 1.6535 1.6535 3.9071 3.9071 4.1028 4.1028 4.2192 4.2192 4.3527 4.3527 4.5550 4.5550 4.5971 4.5971 4.8030 4.8030 4.8150 4.8150 5.0630 5.0630 5.0874 5.0874 6.1011 6.1011 8.5492 8.5492 10.6136 10.6136 11.6327 11.6327 12.2612 12.2612 12.8426 12.8426 12.9492 12.9492 k = 0.0571 0.0330 0.4927 ( 4784 PWs) bands (ev): -13.6661 -13.6661 -11.5908 -11.5908 -11.5681 -11.5681 -11.5239 -11.5239 -10.7589 -10.7589 -10.7487 -10.7487 -10.0566 -10.0566 -10.0336 -10.0336 -7.6635 -7.6635 -7.5936 -7.5936 -7.5895 -7.5895 -3.6265 -3.6265 -0.3394 -0.3394 -0.2122 -0.2122 0.3666 0.3666 0.7678 0.7678 0.9309 0.9309 1.5245 1.5245 1.6654 1.6654 3.9067 3.9067 4.0515 4.0515 4.2152 4.2152 4.3841 4.3841 4.5438 4.5438 4.5935 4.5935 4.7876 4.7876 4.8020 4.8020 5.0679 5.0679 5.0912 5.0912 6.1037 6.1037 8.5767 8.5767 10.6084 10.6084 11.6212 11.6212 12.2653 12.2653 12.8392 12.8392 12.9756 12.9756 k = 0.0714 0.0412 0.4927 ( 4780 PWs) bands (ev): -13.6597 -13.6597 -11.5995 -11.5995 -11.5710 -11.5710 -11.5258 -11.5258 -10.7574 -10.7574 -10.7444 -10.7444 -10.0586 -10.0586 -10.0356 -10.0356 -7.6635 -7.6635 -7.5945 -7.5945 -7.5903 -7.5903 -3.6107 -3.6107 -0.3484 -0.3484 -0.2362 -0.2362 0.3653 0.3653 0.7848 0.7848 0.9574 0.9574 1.5354 1.5354 1.6815 1.6815 3.9050 3.9050 3.9972 3.9972 4.2105 4.2105 4.4132 4.4132 4.5287 4.5287 4.5906 4.5906 4.7692 4.7692 4.7861 4.7861 5.0732 5.0732 5.0957 5.0957 6.1065 6.1065 8.6115 8.6115 10.6018 10.6018 11.6071 11.6071 12.2709 12.2709 12.8349 12.8349 13.0082 13.0082 k = 0.0857 0.0495 0.4927 ( 4790 PWs) bands (ev): -13.6519 -13.6519 -11.6116 -11.6116 -11.5756 -11.5756 -11.5253 -11.5253 -10.7560 -10.7560 -10.7389 -10.7389 -10.0610 -10.0610 -10.0380 -10.0380 -7.6635 -7.6635 -7.5956 -7.5956 -7.5911 -7.5911 -3.5915 -3.5915 -0.3593 -0.3593 -0.2632 -0.2632 0.3636 0.3636 0.8035 0.8035 0.9899 0.9899 1.5470 1.5470 1.7022 1.7022 3.9009 3.9009 3.9404 3.9404 4.2056 4.2056 4.4402 4.4402 4.5106 4.5106 4.5880 4.5880 4.7481 4.7481 4.7678 4.7678 5.0785 5.0785 5.1006 5.1006 6.1093 6.1093 8.6528 8.6528 10.5940 10.5940 11.5906 11.5906 12.2781 12.2781 12.8302 12.8302 13.0461 13.0461 k = 0.1000 0.0577 0.4927 ( 4782 PWs) bands (ev): -13.6428 -13.6428 -11.6275 -11.6275 -11.5815 -11.5815 -11.5222 -11.5222 -10.7546 -10.7546 -10.7325 -10.7325 -10.0639 -10.0639 -10.0409 -10.0409 -7.6636 -7.6636 -7.5969 -7.5969 -7.5921 -7.5921 -3.5691 -3.5691 -0.3721 -0.3721 -0.2923 -0.2923 0.3617 0.3617 0.8237 0.8237 1.0278 1.0278 1.5587 1.5587 1.7275 1.7275 3.8801 3.8801 3.8944 3.8944 4.2012 4.2012 4.4652 4.4652 4.4912 4.4912 4.5854 4.5854 4.7249 4.7249 4.7473 4.7473 5.0837 5.0837 5.1055 5.1055 6.1118 6.1118 8.7002 8.7002 10.5851 10.5851 11.5722 11.5722 12.2868 12.2868 12.8253 12.8253 13.0883 13.0883 k = 0.1143 0.0660 0.4927 ( 4778 PWs) bands (ev): -13.6322 -13.6322 -11.6468 -11.6468 -11.5882 -11.5882 -11.5170 -11.5170 -10.7534 -10.7534 -10.7253 -10.7253 -10.0672 -10.0672 -10.0441 -10.0441 -7.6636 -7.6636 -7.5984 -7.5984 -7.5930 -7.5930 -3.5434 -3.5434 -0.3869 -0.3869 -0.3228 -0.3228 0.3600 0.3600 0.8452 0.8452 1.0705 1.0705 1.5702 1.5702 1.7573 1.7573 3.8193 3.8193 3.8815 3.8815 4.1979 4.1979 4.4693 4.4693 4.4907 4.4907 4.5824 4.5824 4.6998 4.6998 4.7251 4.7251 5.0886 5.0886 5.1104 5.1104 6.1136 6.1136 8.7530 8.7530 10.5752 10.5752 11.5526 11.5526 12.2967 12.2967 12.8207 12.8207 13.1340 13.1340 k = 0.1286 0.0742 0.4927 ( 4772 PWs) bands (ev): -13.6203 -13.6203 -11.6693 -11.6693 -11.5954 -11.5954 -11.5102 -11.5102 -10.7523 -10.7523 -10.7175 -10.7175 -10.0708 -10.0708 -10.0476 -10.0476 -7.6637 -7.6637 -7.6002 -7.6002 -7.5941 -7.5941 -3.5147 -3.5147 -0.4036 -0.4036 -0.3541 -0.3541 0.3586 0.3586 0.8680 0.8680 1.1169 1.1169 1.5815 1.5815 1.7913 1.7913 3.7564 3.7564 3.8632 3.8632 4.1964 4.1964 4.4503 4.4503 4.5128 4.5128 4.5785 4.5785 4.6731 4.6731 4.7014 4.7014 5.0933 5.0933 5.1148 5.1148 6.1143 6.1143 8.8106 8.8106 10.5643 10.5643 11.5320 11.5320 12.3072 12.3072 12.8171 12.8171 13.1823 13.1823 k = 0.1429 0.0825 0.4927 ( 4772 PWs) bands (ev): -13.6071 -13.6071 -11.6945 -11.6945 -11.6031 -11.6031 -11.5020 -11.5020 -10.7514 -10.7514 -10.7091 -10.7091 -10.0749 -10.0749 -10.0515 -10.0515 -7.6637 -7.6637 -7.6021 -7.6021 -7.5952 -7.5952 -3.4830 -3.4830 -0.4222 -0.4222 -0.3858 -0.3858 0.3580 0.3580 0.8922 0.8922 1.1661 1.1661 1.5926 1.5926 1.8290 1.8290 3.6922 3.6922 3.8381 3.8381 4.1970 4.1970 4.4326 4.4326 4.5343 4.5343 4.5737 4.5737 4.6451 4.6451 4.6764 4.6764 5.0977 5.0977 5.1188 5.1188 6.1139 6.1139 8.8723 8.8723 10.5526 10.5526 11.5111 11.5111 12.3178 12.3178 12.8148 12.8148 13.2325 13.2325 k = 0.1571 0.0907 0.4927 ( 4776 PWs) bands (ev): -13.5925 -13.5925 -11.7221 -11.7221 -11.6110 -11.6110 -11.4927 -11.4927 -10.7507 -10.7507 -10.7002 -10.7002 -10.0794 -10.0794 -10.0557 -10.0557 -7.6638 -7.6638 -7.6042 -7.6042 -7.5963 -7.5963 -3.4486 -3.4486 -0.4428 -0.4428 -0.4174 -0.4174 0.3585 0.3585 0.9179 0.9179 1.2173 1.2173 1.6036 1.6036 1.8698 1.8698 3.6272 3.6272 3.8061 3.8061 4.1995 4.1995 4.4176 4.4176 4.5545 4.5545 4.5680 4.5680 4.6161 4.6161 4.6505 4.6505 5.1017 5.1017 5.1222 5.1222 6.1119 6.1119 8.9375 8.9375 10.5402 10.5402 11.4903 11.4903 12.3279 12.3279 12.8145 12.8145 13.2839 13.2839 k = 0.1714 0.0990 0.4927 ( 4780 PWs) bands (ev): -13.5767 -13.5767 -11.7518 -11.7518 -11.6193 -11.6193 -11.4823 -11.4823 -10.7504 -10.7504 -10.6910 -10.6910 -10.0842 -10.0842 -10.0601 -10.0601 -7.6639 -7.6639 -7.6064 -7.6064 -7.5975 -7.5975 -3.4115 -3.4115 -0.4653 -0.4653 -0.4484 -0.4484 0.3604 0.3604 0.9452 0.9452 1.2695 1.2695 1.6146 1.6146 1.9133 1.9133 3.5621 3.5621 3.7676 3.7676 4.2031 4.2031 4.4062 4.4062 4.5574 4.5574 4.5761 4.5761 4.5875 4.5875 4.6238 4.6238 5.1055 5.1055 5.1248 5.1248 6.1082 6.1082 9.0055 9.0055 10.5272 10.5272 11.4699 11.4699 12.3370 12.3370 12.8167 12.8167 13.3360 13.3360 k = 0.1857 0.1072 0.4927 ( 4784 PWs) bands (ev): -13.5596 -13.5596 -11.7833 -11.7833 -11.6278 -11.6278 -11.4710 -11.4710 -10.7504 -10.7504 -10.6815 -10.6815 -10.0893 -10.0893 -10.0648 -10.0648 -7.6641 -7.6641 -7.6087 -7.6087 -7.5987 -7.5987 -3.3718 -3.3718 -0.4899 -0.4899 -0.4786 -0.4786 0.3640 0.3640 0.9739 0.9739 1.3219 1.3219 1.6255 1.6255 1.9589 1.9589 3.4975 3.4975 3.7234 3.7234 4.2066 4.2066 4.3991 4.3991 4.5431 4.5431 4.5603 4.5603 4.5937 4.5937 4.6000 4.6000 5.1090 5.1090 5.1267 5.1267 6.1028 6.1028 9.0757 9.0757 10.5135 10.5135 11.4502 11.4502 12.3445 12.3445 12.8218 12.8218 13.3880 13.3880 k = 0.2000 0.1155 0.4927 ( 4788 PWs) bands (ev): -13.5413 -13.5413 -11.8164 -11.8164 -11.6364 -11.6364 -11.4588 -11.4588 -10.7510 -10.7510 -10.6717 -10.6717 -10.0948 -10.0948 -10.0697 -10.0697 -7.6643 -7.6643 -7.6111 -7.6111 -7.5999 -7.5999 -3.3299 -3.3299 -0.5166 -0.5166 -0.5075 -0.5075 0.3694 0.3694 1.0040 1.0040 1.3736 1.3736 1.6366 1.6366 2.0064 2.0064 3.4341 3.4341 3.6744 3.6744 4.2089 4.2089 4.3967 4.3967 4.5163 4.5163 4.5442 4.5442 4.5690 4.5690 4.6173 4.6173 5.1121 5.1121 5.1279 5.1279 6.0954 6.0954 9.1474 9.1474 10.4994 10.4994 11.4316 11.4316 12.3502 12.3502 12.8300 12.8300 13.4394 13.4394 k = 0.2143 0.1237 0.4927 ( 4800 PWs) bands (ev): -13.5219 -13.5219 -11.8510 -11.8510 -11.6451 -11.6451 -11.4459 -11.4459 -10.7520 -10.7520 -10.6618 -10.6618 -10.1006 -10.1006 -10.0747 -10.0747 -7.6645 -7.6645 -7.6136 -7.6136 -7.6012 -7.6012 -3.2860 -3.2860 -0.5447 -0.5447 -0.5357 -0.5357 0.3769 0.3769 1.0353 1.0353 1.4235 1.4235 1.6478 1.6478 2.0552 2.0552 3.3728 3.3728 3.6218 3.6218 4.2088 4.2088 4.3985 4.3985 4.4852 4.4852 4.5289 4.5289 4.5438 4.5438 4.6370 4.6370 5.1149 5.1149 5.1283 5.1283 6.0860 6.0860 9.2200 9.2200 10.4850 10.4850 11.4141 11.4141 12.3537 12.3537 12.8414 12.8414 13.4897 13.4897 k = 0.2286 0.1320 0.4927 ( 4792 PWs) bands (ev): -13.5012 -13.5012 -11.8867 -11.8867 -11.6539 -11.6539 -11.4322 -11.4322 -10.7535 -10.7535 -10.6518 -10.6518 -10.1067 -10.1067 -10.0798 -10.0798 -7.6648 -7.6648 -7.6160 -7.6160 -7.6024 -7.6024 -3.2401 -3.2401 -0.5734 -0.5734 -0.5637 -0.5637 0.3868 0.3868 1.0678 1.0678 1.4707 1.4707 1.6592 1.6592 2.1051 2.1051 3.3145 3.3145 3.5666 3.5666 4.2063 4.2063 4.4009 4.4009 4.4556 4.4556 4.5083 4.5083 4.5244 4.5244 4.6568 4.6568 5.1173 5.1173 5.1279 5.1279 6.0748 6.0748 9.2930 9.2930 10.4704 10.4704 11.3979 11.3979 12.3553 12.3553 12.8558 12.8558 13.5383 13.5383 k = 0.2429 0.1402 0.4927 ( 4800 PWs) bands (ev): -13.4796 -13.4796 -11.9235 -11.9235 -11.6626 -11.6626 -11.4180 -11.4180 -10.7557 -10.7557 -10.6417 -10.6417 -10.1130 -10.1130 -10.0849 -10.0849 -7.6651 -7.6651 -7.6185 -7.6185 -7.6036 -7.6036 -3.1925 -3.1925 -0.6025 -0.6025 -0.5916 -0.5916 0.3990 0.3990 1.1012 1.1012 1.5138 1.5138 1.6709 1.6709 2.1557 2.1557 3.2601 3.2601 3.5096 3.5096 4.2013 4.2013 4.3917 4.3917 4.4362 4.4362 4.4878 4.4878 4.5083 4.5083 4.6767 4.6767 5.1189 5.1189 5.1271 5.1271 6.0617 6.0617 9.3656 9.3656 10.4558 10.4558 11.3830 11.3830 12.3551 12.3551 12.8730 12.8730 13.5846 13.5846 k = 0.2571 0.1485 0.4927 ( 4808 PWs) bands (ev): -13.4569 -13.4569 -11.9611 -11.9611 -11.6712 -11.6712 -11.4031 -11.4031 -10.7586 -10.7586 -10.6316 -10.6316 -10.1195 -10.1195 -10.0901 -10.0901 -7.6655 -7.6655 -7.6209 -7.6209 -7.6048 -7.6048 -3.1436 -3.1436 -0.6326 -0.6326 -0.6185 -0.6185 0.4139 0.4139 1.1353 1.1353 1.5518 1.5518 1.6830 1.6830 2.2068 2.2068 3.2108 3.2108 3.4516 3.4516 4.1944 4.1944 4.3639 4.3639 4.4233 4.4233 4.4802 4.4802 4.4930 4.4930 4.6967 4.6967 5.1191 5.1191 5.1265 5.1265 6.0468 6.0468 9.4372 9.4372 10.4415 10.4415 11.3694 11.3694 12.3535 12.3535 12.8924 12.8924 13.6281 13.6281 k = 0.2714 0.1567 0.4927 ( 4808 PWs) bands (ev): -13.4333 -13.4333 -11.9994 -11.9994 -11.6797 -11.6797 -11.3878 -11.3878 -10.7621 -10.7621 -10.6215 -10.6215 -10.1262 -10.1262 -10.0952 -10.0952 -7.6660 -7.6660 -7.6232 -7.6232 -7.6060 -7.6060 -3.0936 -3.0936 -0.6640 -0.6640 -0.6439 -0.6439 0.4313 0.4313 1.1699 1.1699 1.5831 1.5831 1.6956 1.6956 2.2582 2.2582 3.1677 3.1677 3.3935 3.3935 4.1862 4.1862 4.3290 4.3290 4.4012 4.4012 4.4732 4.4732 4.4943 4.4943 4.7167 4.7167 5.1173 5.1173 5.1268 5.1268 6.0304 6.0304 9.5071 9.5071 10.4278 10.4278 11.3570 11.3570 12.3508 12.3508 12.9137 12.9137 13.6679 13.6679 k = 0.2857 0.1650 0.4927 ( 4824 PWs) bands (ev): -13.4088 -13.4088 -12.0381 -12.0381 -11.6879 -11.6879 -11.3721 -11.3721 -10.7663 -10.7663 -10.6114 -10.6114 -10.1331 -10.1331 -10.1002 -10.1002 -7.6665 -7.6665 -7.6255 -7.6255 -7.6071 -7.6071 -3.0427 -3.0427 -0.6967 -0.6967 -0.6677 -0.6677 0.4515 0.4515 1.2047 1.2047 1.6067 1.6067 1.7085 1.7085 2.3098 2.3098 3.1316 3.1316 3.3358 3.3358 4.1771 4.1771 4.2918 4.2918 4.3743 4.3743 4.4556 4.4556 4.5139 4.5139 4.7368 4.7368 5.1137 5.1137 5.1276 5.1276 6.0125 6.0125 9.5747 9.5747 10.4151 10.4151 11.3458 11.3458 12.3474 12.3474 12.9363 12.9363 13.7036 13.7036 k = 0.3000 0.1732 0.4927 ( 4808 PWs) bands (ev): -13.3835 -13.3835 -12.0771 -12.0771 -11.6959 -11.6959 -11.3561 -11.3561 -10.7713 -10.7713 -10.6015 -10.6015 -10.1400 -10.1400 -10.1050 -10.1050 -7.6671 -7.6671 -7.6276 -7.6276 -7.6082 -7.6082 -2.9913 -2.9913 -0.7304 -0.7304 -0.6900 -0.6900 0.4745 0.4745 1.2393 1.2393 1.6219 1.6219 1.7213 1.7213 2.3614 2.3614 3.1035 3.1035 3.2793 3.2793 4.1674 4.1674 4.2534 4.2534 4.3460 4.3460 4.4366 4.4366 4.5378 4.5378 4.7569 4.7569 5.1088 5.1088 5.1285 5.1285 5.9933 5.9933 9.6393 9.6393 10.4039 10.4039 11.3355 11.3355 12.3437 12.3437 12.9597 12.9597 13.7345 13.7345 k = 0.3143 0.1815 0.4927 ( 4804 PWs) bands (ev): -13.3576 -13.3576 -12.1162 -12.1162 -11.7035 -11.7035 -11.3399 -11.3399 -10.7768 -10.7768 -10.5918 -10.5918 -10.1471 -10.1471 -10.1097 -10.1097 -7.6678 -7.6678 -7.6296 -7.6296 -7.6092 -7.6092 -2.9398 -2.9398 -0.7647 -0.7647 -0.7108 -0.7108 0.5002 0.5002 1.2734 1.2734 1.6286 1.6286 1.7332 1.7332 2.4130 2.4130 3.0837 3.0837 3.2245 3.2245 4.1574 4.1574 4.2143 4.2143 4.3175 4.3175 4.4167 4.4167 4.5637 4.5637 4.7769 4.7769 5.1028 5.1028 5.1293 5.1293 5.9732 5.9732 9.6999 9.6999 10.3946 10.3946 11.3261 11.3261 12.3399 12.3399 12.9834 12.9834 13.7598 13.7598 k = 0.3286 0.1897 0.4927 ( 4808 PWs) bands (ev): -13.3313 -13.3313 -12.1551 -12.1551 -11.7108 -11.7108 -11.3236 -11.3236 -10.7831 -10.7831 -10.5823 -10.5823 -10.1541 -10.1541 -10.1142 -10.1142 -7.6685 -7.6685 -7.6314 -7.6314 -7.6102 -7.6102 -2.8885 -2.8885 -0.7994 -0.7994 -0.7301 -0.7301 0.5287 0.5287 1.3064 1.3064 1.6270 1.6270 1.7440 1.7440 2.4646 2.4646 3.0719 3.0719 3.1720 3.1720 4.1467 4.1467 4.1756 4.1756 4.2895 4.2895 4.3960 4.3960 4.5907 4.5907 4.7967 4.7967 5.0959 5.0959 5.1299 5.1299 5.9524 5.9524 9.7558 9.7558 10.3881 10.3881 11.3173 11.3173 12.3364 12.3364 13.0071 13.0071 13.7791 13.7791 k = 0.3429 0.1979 0.4927 ( 4810 PWs) bands (ev): -13.3045 -13.3045 -12.1936 -12.1936 -11.7176 -11.7176 -11.3073 -11.3073 -10.7899 -10.7899 -10.5731 -10.5731 -10.1611 -10.1611 -10.1183 -10.1183 -7.6693 -7.6693 -7.6331 -7.6331 -7.6111 -7.6111 -2.8378 -2.8378 -0.8342 -0.8342 -0.7479 -0.7479 0.5599 0.5599 1.3378 1.3378 1.6173 1.6173 1.7535 1.7535 2.5161 2.5161 3.0664 3.0664 3.1237 3.1237 4.1281 4.1281 4.1445 4.1445 4.2623 4.2623 4.3748 4.3748 4.6183 4.6183 4.8163 4.8163 5.0880 5.0880 5.1304 5.1304 5.9312 5.9312 9.8060 9.8060 10.3848 10.3848 11.3091 11.3091 12.3333 12.3333 13.0302 13.0302 13.7921 13.7921 k = 0.3571 0.2062 0.4927 ( 4816 PWs) bands (ev): -13.2777 -13.2777 -12.2315 -12.2315 -11.7240 -11.7240 -11.2913 -11.2913 -10.7971 -10.7971 -10.5642 -10.5642 -10.1679 -10.1679 -10.1222 -10.1222 -7.6701 -7.6701 -7.6346 -7.6346 -7.6120 -7.6120 -2.7883 -2.7883 -0.8687 -0.8687 -0.7642 -0.7642 0.5938 0.5938 1.3665 1.3665 1.6006 1.6006 1.7621 1.7621 2.5672 2.5672 3.0561 3.0561 3.0899 3.0899 4.0916 4.0916 4.1318 4.1318 4.2363 4.2363 4.3533 4.3533 4.6461 4.6461 4.8354 4.8354 5.0792 5.0792 5.1306 5.1306 5.9099 5.9099 9.8498 9.8498 10.3853 10.3853 11.3012 11.3012 12.3307 12.3307 13.0526 13.0526 13.7990 13.7990 k = 0.3714 0.2144 0.4927 ( 4820 PWs) bands (ev): -13.2510 -13.2510 -12.2684 -12.2684 -11.7299 -11.7299 -11.2755 -11.2755 -10.8048 -10.8048 -10.5558 -10.5558 -10.1746 -10.1746 -10.1258 -10.1258 -7.6709 -7.6709 -7.6359 -7.6359 -7.6128 -7.6128 -2.7405 -2.7405 -0.9025 -0.9025 -0.7790 -0.7790 0.6302 0.6302 1.3909 1.3909 1.5788 1.5788 1.7701 1.7701 2.6178 2.6178 3.0212 3.0212 3.0898 3.0898 4.0525 4.0525 4.1226 4.1226 4.2117 4.2117 4.3319 4.3319 4.6736 4.6736 4.8538 4.8538 5.0694 5.0694 5.1306 5.1306 5.8889 5.8889 9.8866 9.8866 10.3901 10.3901 11.2937 11.2937 12.3286 12.3286 13.0738 13.0738 13.8003 13.8003 k = 0.3857 0.2227 0.4927 ( 4818 PWs) bands (ev): -13.2247 -13.2247 -12.3039 -12.3039 -11.7352 -11.7352 -11.2603 -11.2603 -10.8126 -10.8126 -10.5479 -10.5479 -10.1809 -10.1809 -10.1290 -10.1290 -7.6717 -7.6717 -7.6370 -7.6370 -7.6135 -7.6135 -2.6948 -2.6948 -0.9352 -0.9352 -0.7923 -0.7923 0.6690 0.6690 1.4072 1.4072 1.5562 1.5562 1.7774 1.7774 2.6672 2.6672 2.9819 2.9819 3.1016 3.1016 4.0138 4.0138 4.1144 4.1144 4.1888 4.1888 4.3108 4.3108 4.7008 4.7008 4.8714 4.8714 5.0589 5.0589 5.1305 5.1305 5.8685 5.8685 9.9162 9.9162 10.3989 10.3989 11.2865 11.2865 12.3271 12.3271 13.0936 13.0936 13.7971 13.7971 k = 0.4000 0.2309 0.4927 ( 4818 PWs) bands (ev): -13.1992 -13.1992 -12.3376 -12.3376 -11.7400 -11.7400 -11.2459 -11.2459 -10.8205 -10.8205 -10.5406 -10.5406 -10.1868 -10.1868 -10.1319 -10.1319 -7.6725 -7.6725 -7.6380 -7.6380 -7.6141 -7.6141 -2.6521 -2.6521 -0.9663 -0.9663 -0.8041 -0.8041 0.7101 0.7101 1.4087 1.4087 1.5405 1.5405 1.7843 1.7843 2.7149 2.7149 2.9453 2.9453 3.1171 3.1171 3.9764 3.9764 4.1070 4.1070 4.1678 4.1678 4.2904 4.2904 4.7272 4.7272 4.8880 4.8880 5.0475 5.0475 5.1303 5.1303 5.8492 5.8492 9.9389 9.9389 10.4113 10.4113 11.2796 11.2796 12.3262 12.3262 13.1118 13.1118 13.7907 13.7907 k = 0.4143 0.2392 0.4927 ( 4826 PWs) bands (ev): -13.1750 -13.1750 -12.3691 -12.3691 -11.7443 -11.7443 -11.2325 -11.2325 -10.8283 -10.8283 -10.5339 -10.5339 -10.1923 -10.1923 -10.1344 -10.1344 -7.6733 -7.6733 -7.6388 -7.6388 -7.6147 -7.6147 -2.6128 -2.6128 -0.9952 -0.9952 -0.8143 -0.8143 0.7530 0.7530 1.3900 1.3900 1.5382 1.5382 1.7906 1.7906 2.7599 2.7599 2.9127 2.9127 3.1339 3.1339 3.9411 3.9411 4.1004 4.1004 4.1490 4.1490 4.2712 4.2712 4.7526 4.7526 4.9032 4.9032 5.0355 5.0355 5.1300 5.1300 5.8313 5.8313 9.9556 9.9556 10.4261 10.4261 11.2730 11.2730 12.3256 12.3256 13.1280 13.1280 13.7823 13.7823 k = 0.4286 0.2474 0.4927 ( 4810 PWs) bands (ev): -13.1526 -13.1526 -12.3976 -12.3976 -11.7479 -11.7479 -11.2203 -11.2203 -10.8355 -10.8355 -10.5281 -10.5281 -10.1972 -10.1972 -10.1365 -10.1365 -7.6740 -7.6740 -7.6395 -7.6395 -7.6151 -7.6151 -2.5778 -2.5778 -1.0213 -1.0213 -0.8229 -0.8229 0.7974 0.7974 1.3557 1.3557 1.5457 1.5457 1.7962 1.7962 2.8011 2.8011 2.8849 2.8849 3.1504 3.1504 3.9086 3.9086 4.0948 4.0948 4.1327 4.1327 4.2536 4.2536 4.7766 4.7766 4.9168 4.9168 5.0230 5.0230 5.1297 5.1297 5.8152 5.8152 9.9672 9.9672 10.4419 10.4419 11.2670 11.2670 12.3255 12.3255 13.1421 13.1421 13.7732 13.7732 k = 0.4429 0.2557 0.4927 ( 4806 PWs) bands (ev): -13.1328 -13.1328 -12.4226 -12.4226 -11.7508 -11.7508 -11.2098 -11.2098 -10.8421 -10.8421 -10.5231 -10.5231 -10.2013 -10.2013 -10.1383 -10.1383 -7.6746 -7.6746 -7.6400 -7.6400 -7.6155 -7.6155 -2.5479 -2.5479 -1.0438 -1.0438 -0.8300 -0.8300 0.8425 0.8425 1.3135 1.3135 1.5564 1.5564 1.8010 1.8010 2.8344 2.8344 2.8649 2.8649 3.1652 3.1652 3.8799 3.8799 4.0902 4.0902 4.1190 4.1190 4.2382 4.2382 4.7990 4.7990 4.9284 4.9284 5.0105 5.0105 5.1293 5.1293 5.8014 5.8014 9.9749 9.9749 10.4573 10.4573 11.2616 11.2616 12.3256 12.3256 13.1540 13.1540 13.7644 13.7644 k = 0.4571 0.2639 0.4927 ( 4796 PWs) bands (ev): -13.1162 -13.1162 -12.4433 -12.4433 -11.7532 -11.7532 -11.2012 -11.2012 -10.8476 -10.8476 -10.5192 -10.5192 -10.2047 -10.2047 -10.1397 -10.1397 -7.6750 -7.6750 -7.6404 -7.6404 -7.6158 -7.6158 -2.5236 -2.5236 -1.0622 -1.0622 -0.8355 -0.8355 0.8873 0.8873 1.2688 1.2688 1.5667 1.5667 1.8049 1.8049 2.8364 2.8364 2.8754 2.8754 3.1775 3.1775 3.8561 3.8561 4.0866 4.0866 4.1081 4.1081 4.2255 4.2255 4.8188 4.8188 4.9377 4.9377 4.9984 4.9984 5.1290 5.1290 5.7901 5.7901 9.9799 9.9799 10.4708 10.4708 11.2572 11.2572 12.3258 12.3258 13.1633 13.1633 13.7567 13.7567 k = 0.4714 0.2722 0.4927 ( 4792 PWs) bands (ev): -13.1036 -13.1036 -12.4587 -12.4587 -11.7548 -11.7548 -11.1947 -11.1947 -10.8518 -10.8518 -10.5163 -10.5163 -10.2071 -10.2071 -10.1406 -10.1406 -7.6754 -7.6754 -7.6407 -7.6407 -7.6160 -7.6160 -2.5058 -2.5058 -1.0759 -1.0759 -0.8395 -0.8395 0.9291 0.9291 1.2261 1.2261 1.5747 1.5747 1.8078 1.8078 2.8247 2.8247 2.8973 2.8973 3.1865 3.1865 3.8382 3.8382 4.0840 4.0840 4.1001 4.1001 4.2160 4.2160 4.8352 4.8352 4.9443 4.9443 4.9878 4.9878 5.1287 5.1287 5.7819 5.7819 9.9828 9.9828 10.4814 10.4814 11.2538 11.2538 12.3260 12.3260 13.1701 13.1701 13.7508 13.7508 k = 0.4857 0.2804 0.4927 ( 4792 PWs) bands (ev): -13.0957 -13.0957 -12.4684 -12.4684 -11.7558 -11.7558 -11.1907 -11.1907 -10.8544 -10.8544 -10.5145 -10.5145 -10.2086 -10.2086 -10.1412 -10.1412 -7.6756 -7.6756 -7.6408 -7.6408 -7.6161 -7.6161 -2.4948 -2.4948 -1.0843 -1.0843 -0.8418 -0.8418 0.9623 0.9623 1.1921 1.1921 1.5798 1.5798 1.8096 1.8096 2.8169 2.8169 2.9118 2.9118 3.1919 3.1919 3.8271 3.8271 4.0826 4.0826 4.0952 4.0952 4.2101 4.2101 4.8464 4.8464 4.9482 4.9482 4.9804 4.9804 5.1285 5.1285 5.7768 5.7768 9.9843 9.9843 10.4880 10.4880 11.2516 11.2516 12.3262 12.3262 13.1742 13.1742 13.7470 13.7470 k = 0.5000 0.2887 0.4927 ( 4796 PWs) bands (ev): -13.0930 -13.0930 -12.4716 -12.4716 -11.7562 -11.7562 -11.1894 -11.1894 -10.8553 -10.8553 -10.5139 -10.5139 -10.2091 -10.2091 -10.1414 -10.1414 -7.6757 -7.6757 -7.6409 -7.6409 -7.6162 -7.6162 -2.4912 -2.4912 -1.0871 -1.0871 -0.8426 -0.8426 0.9760 0.9760 1.1780 1.1780 1.5815 1.5815 1.8102 1.8102 2.8142 2.8142 2.9169 2.9169 3.1937 3.1937 3.8233 3.8233 4.0821 4.0821 4.0935 4.0935 4.2081 4.2081 4.8505 4.8505 4.9493 4.9493 4.9777 4.9777 5.1285 5.1285 5.7751 5.7751 9.9847 9.9847 10.4903 10.4903 11.2509 11.2509 12.3263 12.3263 13.1756 13.1756 13.7458 13.7458 k = 0.5000 0.2887 0.4927 ( 4796 PWs) bands (ev): -13.0930 -13.0930 -12.4716 -12.4716 -11.7562 -11.7562 -11.1894 -11.1894 -10.8553 -10.8553 -10.5139 -10.5139 -10.2091 -10.2091 -10.1414 -10.1414 -7.6757 -7.6757 -7.6409 -7.6409 -7.6162 -7.6162 -2.4912 -2.4912 -1.0871 -1.0871 -0.8426 -0.8426 0.9760 0.9760 1.1780 1.1780 1.5815 1.5815 1.8102 1.8102 2.8142 2.8142 2.9169 2.9169 3.1937 3.1937 3.8233 3.8233 4.0821 4.0821 4.0935 4.0935 4.2081 4.2081 4.8505 4.8505 4.9493 4.9493 4.9777 4.9777 5.1285 5.1285 5.7751 5.7751 9.9847 9.9847 10.4903 10.4903 11.2509 11.2509 12.3263 12.3263 13.1756 13.1756 13.7458 13.7458 k = 0.4917 0.3031 0.4927 ( 4792 PWs) bands (ev): -13.0922 -13.0922 -12.4725 -12.4725 -11.7563 -11.7563 -11.1889 -11.1889 -10.8561 -10.8561 -10.5135 -10.5135 -10.2091 -10.2091 -10.1416 -10.1416 -7.6757 -7.6757 -7.6409 -7.6409 -7.6163 -7.6163 -2.4891 -2.4891 -1.0893 -1.0893 -0.8421 -0.8421 0.9718 0.9718 1.1777 1.1777 1.5870 1.5870 1.8123 1.8123 2.8131 2.8131 2.9161 2.9161 3.1916 3.1916 3.8218 3.8218 4.0841 4.0841 4.0915 4.0915 4.2119 4.2119 4.8483 4.8483 4.9509 4.9509 4.9778 4.9778 5.1286 5.1286 5.7738 5.7738 9.9848 9.9848 10.4892 10.4892 11.2529 11.2529 12.3269 12.3269 13.1734 13.1734 13.7460 13.7460 k = 0.4833 0.3175 0.4927 ( 4794 PWs) bands (ev): -13.0898 -13.0898 -12.4750 -12.4750 -11.7566 -11.7566 -11.1876 -11.1876 -10.8584 -10.8584 -10.5123 -10.5123 -10.2090 -10.2090 -10.1420 -10.1420 -7.6756 -7.6756 -7.6409 -7.6409 -7.6166 -7.6166 -2.4831 -2.4831 -1.0960 -1.0960 -0.8404 -0.8404 0.9598 0.9598 1.1764 1.1764 1.6031 1.6031 1.8184 1.8184 2.8099 2.8099 2.9138 2.9138 3.1851 3.1851 3.8178 3.8178 4.0831 4.0831 4.0931 4.0931 4.2227 4.2227 4.8421 4.8421 4.9553 4.9553 4.9779 4.9779 5.1292 5.1292 5.7700 5.7700 9.9847 9.9847 10.4859 10.4859 11.2588 11.2588 12.3289 12.3289 13.1669 13.1669 13.7469 13.7469 k = 0.4750 0.3320 0.4927 ( 4790 PWs) bands (ev): -13.0859 -13.0859 -12.4792 -12.4792 -11.7572 -11.7572 -11.1855 -11.1855 -10.8622 -10.8622 -10.5104 -10.5104 -10.2088 -10.2088 -10.1426 -10.1426 -7.6755 -7.6755 -7.6409 -7.6409 -7.6170 -7.6170 -2.4731 -2.4731 -1.1072 -1.1072 -0.8378 -0.8378 0.9418 0.9418 1.1735 1.1735 1.6287 1.6287 1.8285 1.8285 2.8046 2.8046 2.9099 2.9099 3.1745 3.1745 3.8118 3.8118 4.0747 4.0747 4.1036 4.1036 4.2386 4.2386 4.8330 4.8330 4.9612 4.9612 4.9784 4.9784 5.1300 5.1300 5.7638 5.7638 9.9847 9.9847 10.4806 10.4806 11.2683 11.2683 12.3322 12.3322 13.1561 13.1561 13.7483 13.7483 k = 0.4667 0.3464 0.4927 ( 4802 PWs) bands (ev): -13.0803 -13.0803 -12.4850 -12.4850 -11.7580 -11.7580 -11.1825 -11.1825 -10.8673 -10.8673 -10.5080 -10.5080 -10.2086 -10.2086 -10.1435 -10.1435 -7.6754 -7.6754 -7.6409 -7.6409 -7.6176 -7.6176 -2.4592 -2.4592 -1.1226 -1.1226 -0.8341 -0.8341 0.9198 0.9198 1.1685 1.1685 1.6622 1.6622 1.8425 1.8425 2.7974 2.7974 2.9045 2.9045 3.1596 3.1596 3.8047 3.8047 4.0645 4.0645 4.1175 4.1175 4.2583 4.2583 4.8220 4.8220 4.9671 4.9671 4.9797 4.9797 5.1312 5.1312 5.7553 5.7553 9.9846 9.9846 10.4737 10.4737 11.2812 11.2812 12.3369 12.3369 13.1412 13.1412 13.7502 13.7502 k = 0.4583 0.3608 0.4927 ( 4816 PWs) bands (ev): -13.0733 -13.0733 -12.4925 -12.4925 -11.7589 -11.7589 -11.1786 -11.1786 -10.8736 -10.8736 -10.5050 -10.5050 -10.2084 -10.2084 -10.1447 -10.1447 -7.6752 -7.6752 -7.6409 -7.6409 -7.6184 -7.6184 -2.4414 -2.4414 -1.1422 -1.1422 -0.8296 -0.8296 0.8957 0.8957 1.1613 1.1613 1.7022 1.7022 1.8602 1.8602 2.7886 2.7886 2.8975 2.8975 3.1406 3.1406 3.7971 3.7971 4.0537 4.0537 4.1337 4.1337 4.2807 4.2807 4.8099 4.8099 4.9714 4.9714 4.9826 4.9826 5.1325 5.1325 5.7446 5.7446 9.9843 9.9843 10.4656 10.4656 11.2970 11.2970 12.3428 12.3428 13.1226 13.1226 13.7527 13.7527 k = 0.4500 0.3753 0.4927 ( 4816 PWs) bands (ev): -13.0646 -13.0646 -12.5017 -12.5017 -11.7601 -11.7601 -11.1739 -11.1739 -10.8809 -10.8809 -10.5016 -10.5016 -10.2080 -10.2080 -10.1461 -10.1461 -7.6750 -7.6750 -7.6409 -7.6409 -7.6193 -7.6193 -2.4198 -2.4198 -1.1658 -1.1658 -0.8243 -0.8243 0.8710 0.8710 1.1518 1.1518 1.7468 1.7468 1.8815 1.8815 2.7784 2.7784 2.8890 2.8890 3.1178 3.1178 3.7898 3.7898 4.0427 4.0427 4.1514 4.1514 4.3054 4.3054 4.7973 4.7973 4.9735 4.9735 4.9873 4.9873 5.1341 5.1341 5.7319 5.7319 9.9838 9.9838 10.4568 10.4568 11.3153 11.3153 12.3501 12.3501 13.1006 13.1006 13.7558 13.7558 k = 0.4417 0.3897 0.4927 ( 4816 PWs) bands (ev): -13.0544 -13.0544 -12.5125 -12.5125 -11.7614 -11.7614 -11.1684 -11.1684 -10.8891 -10.8891 -10.4981 -10.4981 -10.2076 -10.2076 -10.1477 -10.1477 -7.6748 -7.6748 -7.6409 -7.6409 -7.6203 -7.6203 -2.3944 -2.3944 -1.1933 -1.1933 -0.8185 -0.8185 0.8470 0.8470 1.1401 1.1401 1.7945 1.7945 1.9067 1.9067 2.7670 2.7670 2.8792 2.8792 3.0912 3.0912 3.7833 3.7833 4.0316 4.0316 4.1697 4.1697 4.3317 4.3317 4.7845 4.7845 4.9744 4.9744 4.9924 4.9924 5.1357 5.1357 5.7175 5.7175 9.9830 9.9830 10.4477 10.4477 11.3354 11.3354 12.3587 12.3587 13.0755 13.0755 13.7594 13.7594 k = 0.4333 0.4041 0.4927 ( 4820 PWs) bands (ev): -13.0427 -13.0427 -12.5250 -12.5250 -11.7629 -11.7629 -11.1621 -11.1621 -10.8981 -10.8981 -10.4944 -10.4944 -10.2072 -10.2072 -10.1495 -10.1495 -7.6746 -7.6746 -7.6409 -7.6409 -7.6215 -7.6215 -2.3655 -2.3655 -1.2243 -1.2243 -0.8123 -0.8123 0.8246 0.8246 1.1265 1.1265 1.8434 1.8434 1.9362 1.9362 2.7548 2.7548 2.8679 2.8679 3.0612 3.0612 3.7777 3.7777 4.0205 4.0205 4.1883 4.1883 4.3593 4.3593 4.7719 4.7719 4.9751 4.9751 4.9969 4.9969 5.1374 5.1374 5.7016 5.7016 9.9818 9.9818 10.4387 10.4387 11.3570 11.3570 12.3686 12.3686 13.0477 13.0477 13.7636 13.7636 k = 0.4250 0.4186 0.4927 ( 4834 PWs) bands (ev): -13.0295 -13.0295 -12.5390 -12.5390 -11.7645 -11.7645 -11.1550 -11.1550 -10.9077 -10.9077 -10.4908 -10.4908 -10.2067 -10.2067 -10.1514 -10.1514 -7.6743 -7.6743 -7.6409 -7.6409 -7.6226 -7.6226 -2.3332 -2.3332 -1.2588 -1.2588 -0.8059 -0.8059 0.8046 0.8046 1.1111 1.1111 1.8909 1.8909 1.9714 1.9714 2.7420 2.7420 2.8554 2.8554 3.0281 3.0281 3.7733 3.7733 4.0093 4.0093 4.2067 4.2067 4.3877 4.3877 4.7595 4.7595 4.9757 4.9757 5.0005 5.0005 5.1391 5.1391 5.6845 5.6845 9.9803 9.9803 10.4302 10.4302 11.3795 11.3795 12.3797 12.3797 13.0175 13.0175 13.7684 13.7684 k = 0.4167 0.4330 0.4927 ( 4834 PWs) bands (ev): -13.0147 -13.0147 -12.5547 -12.5547 -11.7662 -11.7662 -11.1472 -11.1472 -10.9177 -10.9177 -10.4873 -10.4873 -10.2062 -10.2062 -10.1534 -10.1534 -7.6741 -7.6741 -7.6409 -7.6409 -7.6238 -7.6238 -2.2975 -2.2975 -1.2965 -1.2965 -0.7995 -0.7995 0.7874 0.7874 1.0940 1.0940 1.9343 1.9343 2.0140 2.0140 2.7288 2.7288 2.8417 2.8417 2.9920 2.9920 3.7701 3.7701 3.9980 3.9980 4.2244 4.2244 4.4166 4.4166 4.7476 4.7476 4.9764 4.9764 5.0028 5.0028 5.1407 5.1407 5.6666 5.6666 9.9784 9.9784 10.4224 10.4224 11.4025 11.4025 12.3922 12.3922 12.9856 12.9856 13.7738 13.7738 k = 0.4083 0.4474 0.4927 ( 4832 PWs) bands (ev): -12.9985 -12.9985 -12.5719 -12.5719 -11.7679 -11.7679 -11.1387 -11.1387 -10.9282 -10.9282 -10.4839 -10.4839 -10.2057 -10.2057 -10.1556 -10.1556 -7.6738 -7.6738 -7.6410 -7.6410 -7.6251 -7.6251 -2.2587 -2.2587 -1.3371 -1.3371 -0.7933 -0.7933 0.7737 0.7737 1.0756 1.0756 1.9729 1.9729 2.0637 2.0637 2.7155 2.7155 2.8271 2.8271 2.9535 2.9535 3.7683 3.7683 3.9866 3.9866 4.2413 4.2413 4.4457 4.4457 4.7362 4.7362 4.9773 4.9773 5.0040 5.0040 5.1421 5.1421 5.6483 5.6483 9.9761 9.9761 10.4156 10.4156 11.4254 11.4254 12.4059 12.4059 12.9522 12.9522 13.7798 13.7798 k = 0.4000 0.4619 0.4927 ( 4824 PWs) bands (ev): -12.9808 -12.9808 -12.5906 -12.5906 -11.7697 -11.7697 -11.1294 -11.1294 -10.9389 -10.9389 -10.4809 -10.4809 -10.2051 -10.2051 -10.1578 -10.1578 -7.6735 -7.6735 -7.6410 -7.6410 -7.6262 -7.6262 -2.2169 -2.2169 -1.3804 -1.3804 -0.7874 -0.7874 0.7638 0.7638 1.0558 1.0558 2.0079 2.0079 2.1186 2.1186 2.7021 2.7021 2.8117 2.8117 2.9130 2.9130 3.7676 3.7676 3.9750 3.9750 4.2570 4.2570 4.4744 4.4744 4.7254 4.7254 4.9785 4.9785 5.0041 5.0041 5.1433 5.1433 5.6299 5.6299 9.9736 9.9736 10.4098 10.4098 11.4478 11.4478 12.4209 12.4209 12.9178 12.9178 13.7865 13.7865 k = 0.3917 0.4763 0.4927 ( 4816 PWs) bands (ev): -12.9616 -12.9616 -12.6109 -12.6109 -11.7714 -11.7714 -11.1196 -11.1196 -10.9500 -10.9500 -10.4781 -10.4781 -10.2046 -10.2046 -10.1599 -10.1599 -7.6733 -7.6733 -7.6411 -7.6411 -7.6273 -7.6273 -2.1723 -2.1723 -1.4262 -1.4262 -0.7821 -0.7821 0.7579 0.7579 1.0349 1.0349 2.0404 2.0404 2.1763 2.1763 2.6889 2.6889 2.7956 2.7956 2.8709 2.8709 3.7680 3.7680 3.9634 3.9634 4.2713 4.2713 4.5024 4.5024 4.7151 4.7151 4.9798 4.9798 5.0032 5.0032 5.1442 5.1442 5.6119 5.6119 9.9709 9.9709 10.4051 10.4051 11.4692 11.4692 12.4371 12.4371 12.8830 12.8830 13.7937 13.7937 k = 0.3833 0.4907 0.4927 ( 4820 PWs) bands (ev): -12.9410 -12.9410 -12.6325 -12.6325 -11.7730 -11.7730 -11.1091 -11.1091 -10.9613 -10.9613 -10.4756 -10.4756 -10.2040 -10.2040 -10.1620 -10.1620 -7.6731 -7.6731 -7.6412 -7.6412 -7.6284 -7.6284 -2.1252 -2.1252 -1.4743 -1.4743 -0.7775 -0.7775 0.7561 0.7561 1.0130 1.0130 2.0711 2.0711 2.2353 2.2353 2.6757 2.6757 2.7787 2.7787 2.8282 2.8282 3.7693 3.7693 3.9519 3.9519 4.2840 4.2840 4.5293 4.5293 4.7052 4.7052 4.9814 4.9814 5.0015 5.0015 5.1449 5.1449 5.5948 5.5948 9.9681 9.9681 10.4016 10.4016 11.4890 11.4890 12.4545 12.4545 12.8482 12.8482 13.8017 13.8017 k = 0.3750 0.5052 0.4927 ( 4812 PWs) bands (ev): -12.9191 -12.9191 -12.6555 -12.6555 -11.7745 -11.7745 -11.0980 -11.0980 -10.9729 -10.9729 -10.4734 -10.4734 -10.2036 -10.2036 -10.1640 -10.1640 -7.6729 -7.6729 -7.6413 -7.6413 -7.6293 -7.6293 -2.0756 -2.0756 -1.5245 -1.5245 -0.7736 -0.7736 0.7586 0.7586 0.9904 0.9904 2.1000 2.1000 2.2948 2.2948 2.6624 2.6624 2.7590 2.7590 2.7880 2.7880 3.7714 3.7714 3.9406 3.9406 4.2950 4.2950 4.5546 4.5546 4.6956 4.6956 4.9831 4.9831 4.9993 4.9993 5.1454 5.1454 5.5790 5.5790 9.9655 9.9655 10.3990 10.3990 11.5069 11.5069 12.4728 12.4728 12.8142 12.8142 13.8102 13.8102 k = 0.3667 0.5196 0.4927 ( 4816 PWs) bands (ev): -12.8958 -12.8958 -12.6798 -12.6798 -11.7759 -11.7759 -11.0864 -11.0864 -10.9848 -10.9848 -10.4717 -10.4717 -10.2032 -10.2032 -10.1657 -10.1657 -7.6727 -7.6727 -7.6414 -7.6414 -7.6300 -7.6300 -2.0240 -2.0240 -1.5766 -1.5766 -0.7705 -0.7705 0.7652 0.7652 0.9673 0.9673 2.1264 2.1264 2.3538 2.3538 2.6488 2.6488 2.7278 2.7278 2.7604 2.7604 3.7740 3.7740 3.9300 3.9300 4.3042 4.3042 4.5778 4.5778 4.6862 4.6862 4.9848 4.9848 4.9970 4.9970 5.1455 5.1455 5.5651 5.5651 9.9630 9.9630 10.3973 10.3973 11.5224 11.5224 12.4917 12.4917 12.7817 12.7817 13.8193 13.8193 k = 0.3583 0.5340 0.4927 ( 4808 PWs) bands (ev): -12.8711 -12.8711 -12.7053 -12.7053 -11.7770 -11.7770 -11.0743 -11.0743 -10.9969 -10.9969 -10.4703 -10.4703 -10.2029 -10.2029 -10.1672 -10.1672 -7.6726 -7.6726 -7.6415 -7.6415 -7.6306 -7.6306 -1.9704 -1.9704 -1.6303 -1.6303 -0.7682 -0.7682 0.7755 0.7755 0.9442 0.9442 2.1497 2.1497 2.4117 2.4117 2.6346 2.6346 2.6873 2.6873 2.7447 2.7447 3.7766 3.7766 3.9205 3.9205 4.3114 4.3114 4.5986 4.5986 4.6768 4.6768 4.9863 4.9863 4.9951 4.9951 5.1455 5.1455 5.5535 5.5535 9.9610 9.9610 10.3963 10.3963 11.5350 11.5350 12.5104 12.5104 12.7519 12.7519 13.8290 13.8290 k = 0.3500 0.5485 0.4927 ( 4812 PWs) bands (ev): -12.8453 -12.8453 -12.7318 -12.7318 -11.7778 -11.7778 -11.0618 -11.0618 -11.0094 -11.0094 -10.4692 -10.4692 -10.2026 -10.2026 -10.1683 -10.1683 -7.6725 -7.6725 -7.6416 -7.6416 -7.6310 -7.6310 -1.9152 -1.9152 -1.6855 -1.6855 -0.7668 -0.7668 0.7885 0.7885 0.9222 0.9222 2.1686 2.1686 2.4678 2.4678 2.6188 2.6188 2.6469 2.6469 2.7340 2.7340 3.7790 3.7790 3.9129 3.9129 4.3166 4.3166 4.6165 4.6165 4.6673 4.6673 4.9872 4.9872 4.9940 4.9940 5.1454 5.1454 5.5447 5.5447 9.9594 9.9594 10.3959 10.3959 11.5444 11.5444 12.5275 12.5275 12.7266 12.7266 13.8389 13.8390 k = 0.3417 0.5629 0.4927 ( 4812 PWs) bands (ev): -12.8186 -12.8186 -12.7589 -12.7589 -11.7783 -11.7783 -11.0489 -11.0489 -11.0222 -11.0222 -10.4686 -10.4686 -10.2025 -10.2025 -10.1690 -10.1690 -7.6724 -7.6724 -7.6417 -7.6417 -7.6312 -7.6312 -1.8587 -1.8587 -1.7419 -1.7419 -0.7660 -0.7660 0.8014 0.8014 0.9039 0.9039 2.1815 2.1815 2.5203 2.5203 2.5985 2.5985 2.6138 2.6138 2.7272 2.7272 3.7805 3.7805 3.9078 3.9078 4.3198 4.3198 4.6309 4.6309 4.6581 4.6581 4.9874 4.9874 4.9938 4.9938 5.1452 5.1452 5.5392 5.5392 9.9585 9.9585 10.3957 10.3957 11.5501 11.5501 12.5403 12.5403 12.7087 12.7087 13.8483 13.8487 k = 0.3333 0.5774 0.4927 ( 4812 PWs) bands (ev): -12.7973 -12.7973 -12.7804 -12.7804 -11.7785 -11.7785 -11.0371 -11.0371 -11.0339 -11.0339 -10.4684 -10.4684 -10.2025 -10.2025 -10.1692 -10.1692 -7.6724 -7.6724 -7.6417 -7.6417 -7.6313 -7.6313 -1.8080 -1.8080 -1.7926 -1.7926 -0.7657 -0.7657 0.8078 0.8078 0.8957 0.8957 2.1862 2.1862 2.5550 2.5550 2.5788 2.5788 2.5984 2.5984 2.7248 2.7248 3.7811 3.7811 3.9060 3.9060 4.3209 4.3209 4.6381 4.6381 4.6525 4.6525 4.9874 4.9874 4.9938 4.9938 5.1451 5.1451 5.5373 5.5373 9.9581 9.9581 10.3957 10.3957 11.5521 11.5521 12.5452 12.5452 12.7021 12.7021 13.8536 13.8537 k = 0.3333 0.5774 0.4927 ( 4812 PWs) bands (ev): -12.7973 -12.7973 -12.7804 -12.7804 -11.7785 -11.7785 -11.0371 -11.0371 -11.0339 -11.0339 -10.4684 -10.4684 -10.2025 -10.2025 -10.1692 -10.1692 -7.6724 -7.6724 -7.6417 -7.6417 -7.6313 -7.6313 -1.8080 -1.8080 -1.7926 -1.7926 -0.7657 -0.7657 0.8078 0.8078 0.8957 0.8957 2.1862 2.1862 2.5550 2.5550 2.5788 2.5788 2.5984 2.5984 2.7248 2.7248 3.7811 3.7811 3.9060 3.9060 4.3209 4.3209 4.6381 4.6381 4.6525 4.6525 4.9874 4.9874 4.9938 4.9938 5.1451 5.1451 5.5373 5.5373 9.9581 9.9581 10.3957 10.3957 11.5521 11.5521 12.5452 12.5452 12.7021 12.7021 13.8571 13.8744 k = 0.3250 0.5629 0.4927 ( 4808 PWs) bands (ev): -12.8196 -12.8196 -12.7580 -12.7580 -11.7783 -11.7783 -11.0492 -11.0492 -11.0219 -11.0219 -10.4686 -10.4686 -10.2025 -10.2025 -10.1690 -10.1690 -7.6724 -7.6724 -7.6417 -7.6417 -7.6312 -7.6312 -1.8597 -1.8597 -1.7409 -1.7409 -0.7659 -0.7659 0.8003 0.8003 0.9050 0.9050 2.1809 2.1809 2.5346 2.5346 2.5723 2.5723 2.6255 2.6255 2.7279 2.7279 3.7807 3.7807 3.9078 3.9078 4.3198 4.3198 4.6320 4.6320 4.6570 4.6570 4.9871 4.9871 4.9940 4.9940 5.1452 5.1452 5.5392 5.5392 9.9584 9.9584 10.3957 10.3957 11.5501 11.5501 12.5404 12.5404 12.7086 12.7086 13.8491 13.8505 k = 0.3167 0.5485 0.4927 ( 4806 PWs) bands (ev): -12.8493 -12.8493 -12.7277 -12.7277 -11.7777 -11.7777 -11.0633 -11.0633 -11.0081 -11.0081 -10.4693 -10.4693 -10.2025 -10.2025 -10.1683 -10.1683 -7.6725 -7.6725 -7.6416 -7.6416 -7.6310 -7.6310 -1.9193 -1.9193 -1.6817 -1.6817 -0.7663 -0.7663 0.7817 0.7817 0.9285 0.9285 2.1642 2.1642 2.5108 2.5108 2.5599 2.5599 2.6601 2.6601 2.7398 2.7398 3.7800 3.7800 3.9133 3.9133 4.3166 4.3166 4.6219 4.6219 4.6624 4.6624 4.9852 4.9852 4.9954 4.9954 5.1455 5.1455 5.5452 5.5452 9.9594 9.9594 10.3953 10.3953 11.5443 11.5443 12.5281 12.5281 12.7258 12.7258 13.8421 13.8421 k = 0.3083 0.5340 0.4927 ( 4806 PWs) bands (ev): -12.8800 -12.8800 -12.6959 -12.6959 -11.7767 -11.7767 -11.0778 -11.0778 -10.9942 -10.9942 -10.4705 -10.4705 -10.2023 -10.2023 -10.1671 -10.1671 -7.6725 -7.6725 -7.6414 -7.6414 -7.6306 -7.6306 -1.9798 -1.9798 -1.6219 -1.6219 -0.7668 -0.7668 0.7583 0.7583 0.9599 0.9599 2.1367 2.1367 2.4888 2.4888 2.5510 2.5510 2.6833 2.6833 2.7636 2.7636 3.7801 3.7801 3.9220 3.9220 4.3112 4.3112 4.6113 4.6113 4.6657 4.6657 4.9808 4.9808 4.9988 4.9988 5.1461 5.1461 5.5552 5.5552 9.9608 9.9608 10.3945 10.3945 11.5348 11.5348 12.5122 12.5122 12.7498 12.7498 13.8365 13.8365 k = 0.3000 0.5196 0.4927 ( 4818 PWs) bands (ev): -12.9113 -12.9113 -12.6629 -12.6629 -11.7752 -11.7752 -11.0928 -11.0928 -10.9801 -10.9801 -10.4723 -10.4723 -10.2018 -10.2018 -10.1655 -10.1655 -7.6725 -7.6725 -7.6411 -7.6411 -7.6302 -7.6302 -2.0411 -2.0411 -1.5619 -1.5619 -0.7672 -0.7672 0.7328 0.7328 0.9961 0.9961 2.1001 2.1001 2.4667 2.4667 2.5468 2.5468 2.6968 2.6968 2.7960 2.7960 3.7821 3.7821 3.9333 3.9333 4.3037 4.3037 4.6011 4.6011 4.6666 4.6666 4.9741 4.9741 5.0036 5.0036 5.1467 5.1467 5.5690 5.5690 9.9626 9.9626 10.3930 10.3930 11.5219 11.5219 12.4951 12.4951 12.7773 12.7773 13.8329 13.8329 k = 0.2917 0.5052 0.4927 ( 4822 PWs) bands (ev): -12.9431 -12.9431 -12.6290 -12.6290 -11.7732 -11.7732 -11.1082 -11.1082 -10.9660 -10.9660 -10.4747 -10.4747 -10.2010 -10.2010 -10.1636 -10.1636 -7.6724 -7.6724 -7.6408 -7.6408 -7.6296 -7.6296 -2.1029 -2.1029 -1.5020 -1.5020 -0.7672 -0.7672 0.7066 0.7066 1.0355 1.0355 2.0566 2.0566 2.4434 2.4434 2.5466 2.5466 2.7060 2.7060 2.8310 2.8310 3.7870 3.7870 3.9468 3.9468 4.2944 4.2944 4.5917 4.5917 4.6653 4.6653 4.9654 4.9654 5.0097 5.0097 5.1474 5.1474 5.5862 5.5862 9.9645 9.9645 10.3907 10.3907 11.5062 11.5062 12.4783 12.4783 12.8065 12.8065 13.8317 13.8317 k = 0.2833 0.4907 0.4927 ( 4822 PWs) bands (ev): -12.9752 -12.9752 -12.5940 -12.5940 -11.7708 -11.7708 -11.1241 -11.1241 -10.9520 -10.9520 -10.4777 -10.4777 -10.1998 -10.1998 -10.1613 -10.1613 -7.6724 -7.6724 -7.6403 -7.6403 -7.6289 -7.6289 -2.1652 -2.1652 -1.4424 -1.4424 -0.7667 -0.7667 0.6801 0.6801 1.0773 1.0773 2.0084 2.0084 2.4185 2.4185 2.5483 2.5483 2.7134 2.7134 2.8658 2.8658 3.7956 3.7956 3.9621 3.9621 4.2836 4.2836 4.5833 4.5833 4.6619 4.6619 4.9548 4.9548 5.0168 5.0168 5.1480 5.1480 5.6067 5.6067 9.9660 9.9660 10.3875 10.3875 11.4884 11.4884 12.4626 12.4626 12.8358 12.8358 13.8332 13.8332 k = 0.2750 0.4763 0.4927 ( 4830 PWs) bands (ev): -13.0075 -13.0075 -12.5582 -12.5582 -11.7678 -11.7678 -11.1404 -11.1404 -10.9380 -10.9380 -10.4814 -10.4814 -10.1981 -10.1981 -10.1587 -10.1587 -7.6722 -7.6722 -7.6398 -7.6398 -7.6280 -7.6280 -2.2278 -2.2278 -1.3834 -1.3834 -0.7655 -0.7655 0.6537 0.6537 1.1206 1.1206 1.9570 1.9570 2.3921 2.3921 2.5501 2.5501 2.7199 2.7199 2.9000 2.9000 3.8086 3.8086 3.9785 3.9785 4.2718 4.2718 4.5763 4.5763 4.6567 4.6567 4.9427 4.9427 5.0246 5.0246 5.1484 5.1484 5.6297 5.6297 9.9668 9.9668 10.3834 10.3834 11.4690 11.4690 12.4481 12.4481 12.8641 12.8641 13.8375 13.8375 k = 0.2667 0.4619 0.4927 ( 4834 PWs) bands (ev): -13.0399 -13.0399 -12.5215 -12.5215 -11.7644 -11.7644 -11.1571 -11.1571 -10.9241 -10.9241 -10.4859 -10.4859 -10.1959 -10.1959 -10.1558 -10.1558 -7.6720 -7.6720 -7.6392 -7.6392 -7.6271 -7.6271 -2.2906 -2.2906 -1.3252 -1.3252 -0.7634 -0.7634 0.6276 0.6276 1.1649 1.1649 1.9034 1.9034 2.3641 2.3641 2.5507 2.5507 2.7256 2.7256 2.9340 2.9340 3.8261 3.8261 3.9958 3.9958 4.2598 4.2598 4.5706 4.5706 4.6497 4.6497 4.9291 4.9291 5.0330 5.0330 5.1487 5.1487 5.6550 5.6550 9.9663 9.9663 10.3785 10.3785 11.4489 11.4489 12.4349 12.4349 12.8905 12.8905 13.8447 13.8448 k = 0.2583 0.4474 0.4927 ( 4834 PWs) bands (ev): -13.0723 -13.0723 -12.4841 -12.4841 -11.7605 -11.7605 -11.1741 -11.1741 -10.9105 -10.9105 -10.4911 -10.4911 -10.1931 -10.1931 -10.1526 -10.1526 -7.6718 -7.6718 -7.6385 -7.6385 -7.6261 -7.6261 -2.3536 -2.3536 -1.2680 -1.2680 -0.7603 -0.7603 0.6021 0.6021 1.2094 1.2094 1.8487 1.8487 2.3344 2.3344 2.5489 2.5489 2.7307 2.7307 2.9683 2.9683 3.8480 3.8480 4.0132 4.0132 4.2486 4.2486 4.5663 4.5663 4.6412 4.6412 4.9145 4.9145 5.0418 5.0418 5.1487 5.1487 5.6821 5.6821 9.9635 9.9635 10.3731 10.3731 11.4289 11.4289 12.4231 12.4231 12.9141 12.9141 13.8546 13.8546 k = 0.2500 0.4330 0.4927 ( 4840 PWs) bands (ev): -13.1046 -13.1046 -12.4460 -12.4460 -11.7561 -11.7561 -11.1914 -11.1914 -10.8971 -10.8971 -10.4970 -10.4970 -10.1897 -10.1897 -10.1491 -10.1491 -7.6714 -7.6714 -7.6378 -7.6378 -7.6249 -7.6249 -2.4165 -2.4165 -1.2120 -1.2120 -0.7561 -0.7561 0.5773 0.5773 1.2533 1.2533 1.7933 1.7933 2.3029 2.3029 2.5440 2.5440 2.7359 2.7359 3.0039 3.0039 3.8739 3.8739 4.0303 4.0303 4.2392 4.2392 4.5632 4.5632 4.6313 4.6313 4.8988 4.8988 5.0507 5.0507 5.1485 5.1485 5.7105 5.7105 9.9577 9.9577 10.3676 10.3676 11.4096 11.4096 12.4127 12.4127 12.9340 12.9340 13.8663 13.8663 k = 0.2417 0.4186 0.4927 ( 4836 PWs) bands (ev): -13.1367 -13.1367 -12.4073 -12.4073 -11.7512 -11.7512 -11.2090 -11.2090 -10.8841 -10.8841 -10.5037 -10.5037 -10.1858 -10.1858 -10.1453 -10.1453 -7.6710 -7.6710 -7.6369 -7.6369 -7.6237 -7.6237 -2.4793 -2.4793 -1.1573 -1.1573 -0.7506 -0.7506 0.5533 0.5533 1.2960 1.2960 1.7379 1.7379 2.2693 2.2693 2.5354 2.5354 2.7418 2.7418 3.0412 3.0412 3.9034 3.9034 4.0461 4.0461 4.2331 4.2331 4.5612 4.5612 4.6200 4.6200 4.8825 4.8825 5.0598 5.0598 5.1480 5.1480 5.7397 5.7397 9.9478 9.9478 10.3625 10.3625 11.3919 11.3919 12.4035 12.4035 12.9497 12.9497 13.8779 13.8779 k = 0.2333 0.4041 0.4927 ( 4826 PWs) bands (ev): -13.1684 -13.1684 -12.3681 -12.3681 -11.7459 -11.7459 -11.2267 -11.2267 -10.8714 -10.8714 -10.5111 -10.5111 -10.1813 -10.1813 -10.1413 -10.1413 -7.6706 -7.6706 -7.6360 -7.6360 -7.6224 -7.6224 -2.5419 -2.5419 -1.1041 -1.1041 -0.7437 -0.7437 0.5303 0.5303 1.3366 1.3366 1.6828 1.6828 2.2333 2.2333 2.5228 2.5228 2.7494 2.7494 3.0808 3.0808 3.9355 3.9355 4.0599 4.0599 4.2317 4.2317 4.5600 4.5600 4.6076 4.6076 4.8655 4.8655 5.0687 5.0687 5.1473 5.1473 5.7695 5.7695 9.9327 9.9327 10.3587 10.3587 11.3761 11.3761 12.3956 12.3956 12.9609 12.9609 13.8865 13.8865 k = 0.2250 0.3897 0.4927 ( 4826 PWs) bands (ev): -13.1998 -13.1998 -12.3285 -12.3285 -11.7401 -11.7401 -11.2446 -11.2446 -10.8592 -10.8592 -10.5191 -10.5191 -10.1764 -10.1764 -10.1371 -10.1371 -7.6701 -7.6701 -7.6349 -7.6349 -7.6211 -7.6211 -2.6042 -2.6042 -1.0526 -1.0526 -0.7352 -0.7352 0.5083 0.5083 1.3741 1.3741 1.6286 1.6286 2.1947 2.1947 2.5062 2.5062 2.7600 2.7600 3.1229 3.1229 3.9694 3.9694 4.0712 4.0712 4.2359 4.2359 4.5595 4.5595 4.5943 4.5943 4.8481 4.8481 5.0774 5.0774 5.1463 5.1463 5.7995 5.7995 9.9115 9.9115 10.3568 10.3568 11.3628 11.3628 12.3889 12.3889 12.9674 12.9674 13.8892 13.8892 k = 0.2167 0.3753 0.4927 ( 4826 PWs) bands (ev): -13.2307 -13.2307 -12.2884 -12.2884 -11.7339 -11.7339 -11.2625 -11.2625 -10.8476 -10.8476 -10.5279 -10.5279 -10.1710 -10.1710 -10.1327 -10.1327 -7.6695 -7.6695 -7.6338 -7.6338 -7.6196 -7.6196 -2.6659 -2.6659 -1.0029 -1.0029 -0.7252 -0.7252 0.4876 0.4876 1.4070 1.4070 1.5764 1.5764 2.1533 2.1533 2.4854 2.4854 2.7745 2.7745 3.1674 3.1674 4.0034 4.0034 4.0812 4.0812 4.2462 4.2462 4.5588 4.5588 4.5807 4.5807 4.8305 4.8305 5.0857 5.0857 5.1451 5.1451 5.8293 5.8293 9.8836 9.8836 10.3573 10.3573 11.3522 11.3522 12.3833 12.3833 12.9692 12.9692 13.8846 13.8846 k = 0.2083 0.3608 0.4927 ( 4822 PWs) bands (ev): -13.2610 -13.2610 -12.2482 -12.2482 -11.7272 -11.7272 -11.2804 -11.2804 -10.8364 -10.8364 -10.5372 -10.5372 -10.1652 -10.1652 -10.1281 -10.1281 -7.6690 -7.6690 -7.6325 -7.6325 -7.6181 -7.6181 -2.7271 -2.7271 -0.9550 -0.9550 -0.7135 -0.7135 0.4681 0.4681 1.4317 1.4317 1.5291 1.5291 2.1093 2.1093 2.4607 2.4607 2.7940 2.7940 3.2142 3.2142 4.0339 4.0339 4.0936 4.0936 4.2619 4.2619 4.5547 4.5547 4.5700 4.5700 4.8127 4.8127 5.0936 5.0936 5.1436 5.1436 5.8587 5.8587 9.8487 9.8487 10.3605 10.3605 11.3445 11.3445 12.3788 12.3788 12.9668 12.9668 13.8732 13.8732 k = 0.2000 0.3464 0.4927 ( 4810 PWs) bands (ev): -13.2907 -13.2907 -12.2078 -12.2078 -11.7202 -11.7202 -11.2982 -11.2982 -10.8259 -10.8259 -10.5471 -10.5471 -10.1592 -10.1592 -10.1232 -10.1232 -7.6684 -7.6684 -7.6311 -7.6311 -7.6166 -7.6166 -2.7876 -2.7876 -0.9090 -0.9090 -0.7001 -0.7001 0.4500 0.4500 1.4333 1.4333 1.5016 1.5016 2.0628 2.0628 2.4320 2.4320 2.8192 2.8192 3.2632 3.2632 4.0544 4.0544 4.1155 4.1155 4.2819 4.2819 4.5425 4.5425 4.5672 4.5672 4.7949 4.7949 5.1010 5.1010 5.1420 5.1420 5.8875 5.8875 9.8070 9.8070 10.3662 10.3662 11.3397 11.3397 12.3754 12.3754 12.9604 12.9604 13.8556 13.8556 k = 0.1917 0.3320 0.4927 ( 4810 PWs) bands (ev): -13.3197 -13.3197 -12.1673 -12.1673 -11.7129 -11.7129 -11.3158 -11.3158 -10.8161 -10.8161 -10.5575 -10.5575 -10.1529 -10.1529 -10.1182 -10.1182 -7.6678 -7.6678 -7.6295 -7.6295 -7.6151 -7.6151 -2.8472 -2.8472 -0.8650 -0.8650 -0.6849 -0.6849 0.4334 0.4334 1.3991 1.3991 1.5061 1.5061 2.0141 2.0141 2.3998 2.3998 2.8506 2.8506 3.3141 3.3141 4.0647 4.0647 4.1479 4.1479 4.3050 4.3050 4.5264 4.5264 4.5680 4.5680 4.7771 4.7771 5.1077 5.1077 5.1401 5.1401 5.9152 5.9152 9.7589 9.7589 10.3744 10.3744 11.3378 11.3378 12.3729 12.3729 12.9507 12.9507 13.8325 13.8325 k = 0.1833 0.3175 0.4927 ( 4808 PWs) bands (ev): -13.3479 -13.3479 -12.1269 -12.1269 -11.7052 -11.7052 -11.3333 -11.3333 -10.8069 -10.8069 -10.5683 -10.5683 -10.1464 -10.1464 -10.1131 -10.1131 -7.6673 -7.6673 -7.6278 -7.6278 -7.6135 -7.6135 -2.9059 -2.9059 -0.8229 -0.8229 -0.6679 -0.6679 0.4182 0.4182 1.3536 1.3536 1.5178 1.5178 1.9637 1.9637 2.3642 2.3642 2.8885 2.8885 3.3664 3.3664 4.0706 4.0706 4.1853 4.1853 4.3304 4.3304 4.5092 4.5092 4.5697 4.5697 4.7594 4.7594 5.1137 5.1137 5.1381 5.1381 5.9418 5.9418 9.7050 9.7050 10.3847 10.3847 11.3387 11.3387 12.3713 12.3713 12.9383 12.9383 13.8043 13.8043 k = 0.1750 0.3031 0.4927 ( 4806 PWs) bands (ev): -13.3752 -13.3752 -12.0867 -12.0867 -11.6973 -11.6973 -11.3504 -11.3504 -10.7985 -10.7985 -10.5795 -10.5795 -10.1398 -10.1398 -10.1079 -10.1079 -7.6667 -7.6667 -7.6260 -7.6260 -7.6119 -7.6119 -2.9634 -2.9634 -0.7828 -0.7828 -0.6493 -0.6493 0.4046 0.4046 1.3069 1.3069 1.5266 1.5266 1.9125 1.9125 2.3256 2.3256 2.9326 2.9326 3.4198 3.4198 4.0755 4.0755 4.2246 4.2246 4.3573 4.3573 4.4917 4.4917 4.5717 4.5717 4.7418 4.7418 5.1188 5.1188 5.1360 5.1360 5.9670 5.9670 9.6462 9.6462 10.3965 10.3965 11.3423 11.3423 12.3703 12.3703 12.9239 12.9239 13.7716 13.7716 k = 0.1667 0.2887 0.4927 ( 4806 PWs) bands (ev): -13.4016 -13.4016 -12.0468 -12.0468 -11.6890 -11.6890 -11.3672 -11.3672 -10.7908 -10.7908 -10.5910 -10.5910 -10.1332 -10.1332 -10.1025 -10.1025 -7.6662 -7.6662 -7.6241 -7.6241 -7.6103 -7.6103 -3.0197 -3.0197 -0.7446 -0.7446 -0.6290 -0.6290 0.3926 0.3926 1.2609 1.2609 1.5301 1.5301 1.8615 1.8615 2.2844 2.2844 2.9826 2.9826 3.4738 3.4738 4.0808 4.0808 4.2642 4.2642 4.3852 4.3852 4.4746 4.4746 4.5740 4.5740 4.7243 4.7243 5.1227 5.1227 5.1341 5.1341 5.9906 5.9906 9.5831 9.5831 10.4096 10.4096 11.3483 11.3483 12.3697 12.3697 12.9081 12.9081 13.7348 13.7348 k = 0.1583 0.2742 0.4927 ( 4818 PWs) bands (ev): -13.4271 -13.4271 -12.0073 -12.0073 -11.6806 -11.6806 -11.3835 -11.3835 -10.7839 -10.7839 -10.6027 -10.6027 -10.1266 -10.1266 -10.0971 -10.0971 -7.6658 -7.6658 -7.6221 -7.6221 -7.6087 -7.6087 -3.0745 -3.0745 -0.7080 -0.7080 -0.6072 -0.6072 0.3822 0.3822 1.2162 1.2162 1.5271 1.5271 1.8122 1.8122 2.2410 2.2410 3.0380 3.0380 3.5278 3.5278 4.0868 4.0868 4.3036 4.3036 4.4135 4.4135 4.4586 4.4586 4.5764 4.5764 4.7068 4.7068 5.1247 5.1247 5.1330 5.1330 6.0124 6.0124 9.5165 9.5165 10.4237 10.4237 11.3567 11.3567 12.3692 12.3692 12.8917 12.8917 13.6942 13.6942 k = 0.1500 0.2598 0.4927 ( 4814 PWs) bands (ev): -13.4516 -13.4516 -11.9684 -11.9684 -11.6721 -11.6721 -11.3994 -11.3994 -10.7777 -10.7777 -10.6145 -10.6145 -10.1201 -10.1201 -10.0917 -10.0917 -7.6654 -7.6654 -7.6199 -7.6199 -7.6070 -7.6070 -3.1278 -3.1278 -0.6729 -0.6729 -0.5842 -0.5842 0.3734 0.3734 1.1731 1.1731 1.5163 1.5163 1.7665 1.7665 2.1959 2.1959 3.0980 3.0980 3.5812 3.5812 4.0936 4.0936 4.3417 4.3417 4.4372 4.4372 4.4494 4.4494 4.5788 4.5788 4.6894 4.6894 5.1240 5.1240 5.1336 5.1336 6.0323 6.0323 9.4472 9.4472 10.4382 10.4382 11.3672 11.3672 12.3685 12.3685 12.8754 12.8754 13.6504 13.6504 k = 0.1417 0.2454 0.4927 ( 4814 PWs) bands (ev): -13.4750 -13.4750 -11.9302 -11.9302 -11.6634 -11.6634 -11.4147 -11.4147 -10.7723 -10.7723 -10.6264 -10.6264 -10.1136 -10.1136 -10.0863 -10.0863 -7.6651 -7.6651 -7.6177 -7.6177 -7.6055 -7.6055 -3.1794 -3.1794 -0.6390 -0.6390 -0.5604 -0.5604 0.3662 0.3662 1.1317 1.1317 1.4962 1.4962 1.7266 1.7266 2.1495 2.1495 3.1620 3.1620 3.6332 3.6332 4.1014 4.1014 4.3761 4.3761 4.4326 4.4326 4.4733 4.4733 4.5814 4.5814 4.6720 4.6720 5.1217 5.1217 5.1348 5.1348 6.0500 6.0500 9.3760 9.3760 10.4531 10.4531 11.3797 11.3797 12.3673 12.3673 12.8599 12.8599 13.6038 13.6038 k = 0.1333 0.2309 0.4927 ( 4802 PWs) bands (ev): -13.4973 -13.4973 -11.8929 -11.8929 -11.6546 -11.6546 -11.4293 -11.4293 -10.7677 -10.7677 -10.6383 -10.6383 -10.1074 -10.1074 -10.0809 -10.0809 -7.6648 -7.6648 -7.6154 -7.6154 -7.6039 -7.6039 -3.2291 -3.2291 -0.6060 -0.6060 -0.5361 -0.5361 0.3605 0.3605 1.0922 1.0922 1.4660 1.4660 1.6939 1.6939 2.1024 2.1024 3.2290 3.2290 3.6832 3.6832 4.1099 4.1099 4.3955 4.3955 4.4399 4.4399 4.5017 4.5017 4.5841 4.5841 4.6545 4.6545 5.1187 5.1187 5.1355 5.1355 6.0657 6.0657 9.3034 9.3034 10.4681 10.4681 11.3941 11.3941 12.3650 12.3650 12.8459 12.8459 13.5548 13.5548 k = 0.1250 0.2165 0.4927 ( 4806 PWs) bands (ev): -13.5184 -13.5184 -11.8566 -11.8566 -11.6458 -11.6458 -11.4433 -11.4433 -10.7638 -10.7638 -10.6502 -10.6502 -10.1013 -10.1013 -10.0756 -10.0756 -7.6645 -7.6645 -7.6131 -7.6131 -7.6024 -7.6024 -3.2768 -3.2768 -0.5737 -0.5737 -0.5115 -0.5115 0.3563 0.3563 1.0547 1.0547 1.4266 1.4266 1.6686 1.6686 2.0551 2.0551 3.2985 3.2985 3.7301 3.7301 4.1191 4.1191 4.3952 4.3952 4.4686 4.4686 4.5293 4.5293 4.5875 4.5875 4.6368 4.6368 5.1153 5.1153 5.1355 5.1355 6.0790 6.0790 9.2302 9.2302 10.4830 10.4830 11.4102 11.4102 12.3613 12.3613 12.8339 12.8339 13.5039 13.5039 k = 0.1167 0.2021 0.4927 ( 4806 PWs) bands (ev): -13.5384 -13.5384 -11.8216 -11.8216 -11.6371 -11.6371 -11.4566 -11.4566 -10.7607 -10.7607 -10.6618 -10.6618 -10.0955 -10.0955 -10.0705 -10.0705 -7.6643 -7.6643 -7.6108 -7.6108 -7.6009 -7.6009 -3.3222 -3.3222 -0.5419 -0.5419 -0.4869 -0.4869 0.3535 0.3535 1.0192 1.0192 1.3804 1.3804 1.6488 1.6488 2.0079 2.0079 3.3696 3.3696 3.7730 3.7730 4.1287 4.1287 4.3922 4.3922 4.5027 4.5027 4.5544 4.5544 4.5928 4.5928 4.6191 4.6191 5.1118 5.1118 5.1346 5.1346 6.0901 6.0901 9.1571 9.1571 10.4976 10.4976 11.4277 11.4277 12.3561 12.3561 12.8244 12.8244 13.4517 13.4517 k = 0.1083 0.1876 0.4927 ( 4790 PWs) bands (ev): -13.5571 -13.5571 -11.7879 -11.7879 -11.6284 -11.6284 -11.4691 -11.4691 -10.7583 -10.7583 -10.6732 -10.6732 -10.0900 -10.0900 -10.0655 -10.0655 -7.6641 -7.6641 -7.6085 -7.6085 -7.5995 -7.5995 -3.3654 -3.3654 -0.5109 -0.5109 -0.4622 -0.4622 0.3520 0.3520 0.9858 0.9858 1.3299 1.3299 1.6328 1.6328 1.9615 1.9615 3.4416 3.4416 3.8109 3.8109 4.1386 4.1386 4.3922 4.3922 4.5369 4.5369 4.5723 4.5723 4.5986 4.5986 4.6074 4.6074 5.1081 5.1081 5.1329 5.1329 6.0990 6.0990 9.0848 9.0848 10.5119 10.5119 11.4467 11.4467 12.3491 12.3491 12.8176 12.8176 13.3985 13.3985 k = 0.1000 0.1732 0.4927 ( 4786 PWs) bands (ev): -13.5746 -13.5746 -11.7558 -11.7558 -11.6200 -11.6200 -11.4807 -11.4807 -10.7565 -10.7565 -10.6843 -10.6843 -10.0848 -10.0848 -10.0607 -10.0607 -7.6639 -7.6639 -7.6063 -7.6063 -7.5981 -7.5981 -3.4061 -3.4061 -0.4811 -0.4811 -0.4372 -0.4372 0.3517 0.3517 0.9543 0.9543 1.2773 1.2773 1.6190 1.6190 1.9164 1.9164 3.5137 3.5137 3.8432 3.8432 4.1486 4.1486 4.3967 4.3967 4.5680 4.5680 4.5786 4.5786 4.5856 4.5856 4.6271 4.6271 5.1042 5.1042 5.1303 5.1303 6.1056 6.1056 9.0138 9.0138 10.5257 10.5257 11.4666 11.4666 12.3406 12.3406 12.8136 12.8136 13.3450 13.3450 k = 0.0917 0.1588 0.4927 ( 4774 PWs) bands (ev): -13.5908 -13.5908 -11.7256 -11.7256 -11.6117 -11.6117 -11.4913 -11.4913 -10.7553 -10.7553 -10.6949 -10.6949 -10.0799 -10.0799 -10.0562 -10.0562 -7.6638 -7.6638 -7.6042 -7.6042 -7.5968 -7.5968 -3.4441 -3.4441 -0.4535 -0.4535 -0.4111 -0.4111 0.3524 0.3524 0.9249 0.9249 1.2243 1.2243 1.6064 1.6064 1.8731 1.8731 3.5854 3.5854 3.8693 3.8693 4.1586 4.1586 4.4060 4.4060 4.5607 4.5607 4.5818 4.5818 4.6067 4.6067 4.6517 4.6517 5.1003 5.1003 5.1269 5.1269 6.1102 6.1102 8.9449 8.9449 10.5389 10.5389 11.4874 11.4874 12.3307 12.3307 12.8122 12.8122 13.2917 13.2917 k = 0.0833 0.1443 0.4927 ( 4778 PWs) bands (ev): -13.6056 -13.6056 -11.6974 -11.6974 -11.6037 -11.6037 -11.5010 -11.5010 -10.7547 -10.7547 -10.7050 -10.7050 -10.0753 -10.0753 -10.0519 -10.0519 -7.6637 -7.6637 -7.6021 -7.6021 -7.5955 -7.5955 -3.4794 -3.4794 -0.4288 -0.4288 -0.3834 -0.3834 0.3539 0.3539 0.8975 0.8975 1.1721 1.1721 1.5946 1.5946 1.8322 1.8322 3.6558 3.6558 3.8894 3.8894 4.1684 4.1684 4.4199 4.4199 4.5409 4.5409 4.5845 4.5845 4.6372 4.6372 4.6768 4.6768 5.0963 5.0963 5.1228 5.1228 6.1129 6.1129 8.8788 8.8788 10.5515 10.5515 11.5086 11.5086 12.3199 12.3199 12.8131 12.8131 13.2390 13.2390 k = 0.0750 0.1299 0.4927 ( 4782 PWs) bands (ev): -13.6191 -13.6191 -11.6717 -11.6717 -11.5960 -11.5960 -11.5094 -11.5094 -10.7546 -10.7546 -10.7145 -10.7145 -10.0712 -10.0712 -10.0480 -10.0480 -7.6637 -7.6637 -7.6002 -7.6002 -7.5943 -7.5943 -3.5118 -3.5118 -0.4075 -0.4075 -0.3541 -0.3541 0.3559 0.3559 0.8719 0.8719 1.1218 1.1218 1.5829 1.5829 1.7942 1.7942 3.7243 3.7243 3.9043 3.9043 4.1778 4.1778 4.4371 4.4371 4.5206 4.5206 4.5861 4.5861 4.6669 4.6669 4.7013 4.7013 5.0921 5.0921 5.1180 5.1180 6.1138 6.1138 8.8161 8.8161 10.5633 10.5633 11.5299 11.5299 12.3087 12.3087 12.8158 12.8158 13.1877 13.1877 k = 0.0667 0.1155 0.4927 ( 4786 PWs) bands (ev): -13.6313 -13.6313 -11.6487 -11.6487 -11.5887 -11.5887 -11.5165 -11.5165 -10.7549 -10.7549 -10.7232 -10.7232 -10.0674 -10.0674 -10.0443 -10.0443 -7.6636 -7.6636 -7.5985 -7.5985 -7.5932 -7.5932 -3.5411 -3.5411 -0.3892 -0.3892 -0.3239 -0.3239 0.3583 0.3583 0.8480 0.8480 1.0744 1.0744 1.5713 1.5713 1.7597 1.7597 3.7894 3.7894 3.9156 3.9156 4.1867 4.1867 4.4546 4.4546 4.5013 4.5013 4.5872 4.5872 4.6951 4.6951 4.7247 4.7247 5.0878 5.0878 5.1127 5.1127 6.1134 6.1134 8.7576 8.7576 10.5743 10.5743 11.5508 11.5508 12.2978 12.2978 12.8198 12.8198 13.1384 13.1384 k = 0.0583 0.1010 0.4927 ( 4778 PWs) bands (ev): -13.6420 -13.6420 -11.6288 -11.6288 -11.5819 -11.5819 -11.5218 -11.5218 -10.7555 -10.7555 -10.7311 -10.7311 -10.0641 -10.0641 -10.0411 -10.0411 -7.6636 -7.6636 -7.5970 -7.5970 -7.5922 -7.5922 -3.5673 -3.5673 -0.3735 -0.3735 -0.2938 -0.2938 0.3608 0.3608 0.8258 0.8258 1.0308 1.0308 1.5596 1.5596 1.7294 1.7294 3.8479 3.8479 3.9275 3.9275 4.1950 4.1950 4.4589 4.4589 4.4949 4.4949 4.5883 4.5883 4.7215 4.7215 4.7468 4.7468 5.0832 5.0832 5.1072 5.1072 6.1118 6.1118 8.7038 8.7038 10.5844 10.5844 11.5708 11.5708 12.2877 12.2877 12.8246 12.8246 13.0918 13.0918 k = 0.0500 0.0866 0.4927 ( 4786 PWs) bands (ev): -13.6514 -13.6514 -11.6125 -11.6125 -11.5759 -11.5759 -11.5251 -11.5251 -10.7564 -10.7564 -10.7380 -10.7380 -10.0612 -10.0612 -10.0382 -10.0382 -7.6635 -7.6635 -7.5956 -7.5956 -7.5912 -7.5912 -3.5902 -3.5902 -0.3602 -0.3602 -0.2647 -0.2647 0.3631 0.3631 0.8050 0.8050 0.9921 0.9921 1.5477 1.5477 1.7036 1.7036 3.8881 3.8881 3.9523 3.9523 4.2025 4.2025 4.4400 4.4400 4.5096 4.5096 4.5895 4.5895 4.7458 4.7458 4.7672 4.7672 5.0783 5.0783 5.1016 5.1016 6.1094 6.1094 8.6556 8.6556 10.5935 10.5935 11.5895 11.5895 12.2787 12.2787 12.8297 12.8297 13.0487 13.0487 k = 0.0417 0.0722 0.4927 ( 4782 PWs) bands (ev): -13.6593 -13.6593 -11.6000 -11.6000 -11.5712 -11.5712 -11.5258 -11.5258 -10.7576 -10.7576 -10.7439 -10.7439 -10.0587 -10.0587 -10.0357 -10.0357 -7.6635 -7.6635 -7.5945 -7.5945 -7.5903 -7.5903 -3.6098 -3.6098 -0.3489 -0.3489 -0.2375 -0.2375 0.3651 0.3651 0.7858 0.7858 0.9589 0.9589 1.5360 1.5360 1.6825 1.6825 3.9025 3.9025 3.9981 3.9981 4.2090 4.2090 4.4141 4.4141 4.5275 4.5275 4.5912 4.5912 4.7677 4.7677 4.7856 4.7856 5.0732 5.0732 5.0963 5.0963 6.1066 6.1066 8.6134 8.6134 10.6014 10.6014 11.6063 11.6063 12.2713 12.2713 12.8346 12.8346 13.0101 13.0101 k = 0.0333 0.0577 0.4927 ( 4782 PWs) bands (ev): -13.6659 -13.6659 -11.5911 -11.5911 -11.5682 -11.5682 -11.5240 -11.5240 -10.7589 -10.7589 -10.7485 -10.7485 -10.0566 -10.0566 -10.0337 -10.0337 -7.6635 -7.6635 -7.5936 -7.5936 -7.5896 -7.5896 -3.6259 -3.6259 -0.3398 -0.3398 -0.2131 -0.2131 0.3665 0.3665 0.7685 0.7685 0.9319 0.9319 1.5249 1.5249 1.6660 1.6660 3.9063 3.9063 4.0502 4.0502 4.2146 4.2146 4.3852 4.3852 4.5431 4.5431 4.5936 4.5936 4.7868 4.7868 4.8016 4.8016 5.0680 5.0680 5.0915 5.0915 6.1038 6.1038 8.5780 8.5780 10.6081 10.6081 11.6207 11.6207 12.2655 12.2655 12.8390 12.8390 12.9768 12.9768 k = 0.0250 0.0433 0.4927 ( 4788 PWs) bands (ev): -13.6710 -13.6710 -11.5851 -11.5851 -11.5666 -11.5666 -11.5205 -11.5205 -10.7605 -10.7605 -10.7518 -10.7518 -10.0550 -10.0550 -10.0321 -10.0321 -7.6635 -7.6635 -7.5930 -7.5930 -7.5890 -7.5890 -3.6385 -3.6385 -0.3327 -0.3327 -0.1927 -0.1927 0.3675 0.3675 0.7536 0.7536 0.9112 0.9112 1.5151 1.5151 1.6538 1.6538 3.9070 3.9070 4.1015 4.1015 4.2190 4.2190 4.3537 4.3537 4.5546 4.5546 4.5971 4.5971 4.8025 4.8025 4.8147 4.8147 5.0631 5.0631 5.0875 5.0875 6.1011 6.1011 8.5499 8.5499 10.6134 10.6134 11.6324 11.6324 12.2613 12.2613 12.8425 12.8425 12.9499 12.9499 k = 0.0167 0.0289 0.4927 ( 4788 PWs) bands (ev): -13.6746 -13.6746 -11.5815 -11.5815 -11.5659 -11.5659 -11.5169 -11.5169 -10.7620 -10.7620 -10.7538 -10.7538 -10.0539 -10.0539 -10.0310 -10.0310 -7.6635 -7.6635 -7.5925 -7.5925 -7.5885 -7.5885 -3.6476 -3.6476 -0.3276 -0.3276 -0.1772 -0.1772 0.3679 0.3679 0.7421 0.7421 0.8968 0.8968 1.5075 1.5075 1.6455 1.6455 3.9069 3.9069 4.1501 4.1501 4.2222 4.2222 4.3198 4.3198 4.5618 4.5618 4.6011 4.6011 4.8144 4.8144 4.8246 4.8246 5.0590 5.0590 5.0844 5.0844 6.0990 6.0990 8.5295 8.5295 10.6173 10.6173 11.6410 11.6410 12.2586 12.2586 12.8448 12.8448 12.9301 12.9301 k = 0.0083 0.0144 0.4927 ( 4776 PWs) bands (ev): -13.6768 -13.6768 -11.5797 -11.5797 -11.5655 -11.5655 -11.5143 -11.5143 -10.7631 -10.7631 -10.7549 -10.7549 -10.0532 -10.0532 -10.0303 -10.0303 -7.6635 -7.6635 -7.5922 -7.5922 -7.5882 -7.5882 -3.6530 -3.6530 -0.3246 -0.3246 -0.1674 -0.1674 0.3681 0.3681 0.7347 0.7347 0.8883 0.8883 1.5027 1.5027 1.6407 1.6407 3.9066 3.9066 4.1948 4.1948 4.2242 4.2242 4.2841 4.2841 4.5654 4.5654 4.6043 4.6043 4.8217 4.8217 4.8308 4.8308 5.0562 5.0562 5.0825 5.0825 6.0977 6.0977 8.5171 8.5171 10.6197 10.6197 11.6463 11.6463 12.2572 12.2572 12.8461 12.8461 12.9182 12.9182 k = 0.0000 0.0000 0.4927 ( 4762 PWs) bands (ev): -13.6775 -13.6775 -11.5792 -11.5792 -11.5653 -11.5653 -11.5134 -11.5134 -10.7635 -10.7635 -10.7552 -10.7552 -10.0530 -10.0530 -10.0300 -10.0300 -7.6635 -7.6635 -7.5921 -7.5921 -7.5881 -7.5881 -3.6548 -3.6548 -0.3236 -0.3236 -0.1641 -0.1641 0.3682 0.3682 0.7322 0.7322 0.8856 0.8856 1.5010 1.5010 1.6391 1.6391 3.9064 3.9064 4.2247 4.2247 4.2250 4.2250 4.2572 4.2572 4.5665 4.5665 4.6055 4.6055 4.8243 4.8243 4.8329 4.8329 5.0553 5.0553 5.0818 5.0818 6.0973 6.0973 8.5129 8.5129 10.6205 10.6205 11.6480 11.6480 12.2567 12.2567 12.8465 12.8465 12.9142 12.9142 k = 0.5000 0.2887 0.4927 ( 4796 PWs) bands (ev): -13.0930 -13.0930 -12.4716 -12.4716 -11.7562 -11.7562 -11.1894 -11.1894 -10.8553 -10.8553 -10.5139 -10.5139 -10.2091 -10.2091 -10.1414 -10.1414 -7.6757 -7.6757 -7.6409 -7.6409 -7.6162 -7.6162 -2.4912 -2.4912 -1.0871 -1.0871 -0.8426 -0.8426 0.9760 0.9760 1.1780 1.1780 1.5815 1.5815 1.8102 1.8102 2.8142 2.8142 2.9169 2.9169 3.1937 3.1937 3.8233 3.8233 4.0821 4.0821 4.0935 4.0935 4.2081 4.2081 4.8505 4.8505 4.9493 4.9493 4.9777 4.9777 5.1285 5.1285 5.7751 5.7751 9.9847 9.9847 10.4903 10.4903 11.2509 11.2509 12.3263 12.3263 13.1756 13.1756 13.7458 13.7458 k = 0.5000 0.2887 0.4763 ( 4792 PWs) bands (ev): -13.0930 -13.0930 -12.4718 -12.4718 -11.7561 -11.7561 -11.1895 -11.1895 -10.8550 -10.8550 -10.5143 -10.5143 -10.2089 -10.2089 -10.1412 -10.1412 -7.6756 -7.6756 -7.6408 -7.6408 -7.6162 -7.6162 -2.4913 -2.4913 -1.0875 -1.0875 -0.8415 -0.8415 0.9743 0.9743 1.1783 1.1783 1.5829 1.5829 1.8089 1.8089 2.8035 2.8035 2.9235 2.9235 3.1944 3.1944 3.8232 3.8232 4.0821 4.0821 4.0981 4.0981 4.2098 4.2098 4.8490 4.8490 4.9506 4.9506 4.9760 4.9760 5.1294 5.1294 5.7746 5.7746 9.9857 9.9857 10.4884 10.4884 11.2517 11.2517 12.3257 12.3257 13.1724 13.1724 13.7496 13.7496 k = 0.5000 0.2887 0.4598 ( 4798 PWs) bands (ev): -13.0930 -13.0930 -12.4723 -12.4723 -11.7558 -11.7558 -11.1900 -11.1900 -10.8540 -10.8540 -10.5156 -10.5156 -10.2083 -10.2083 -10.1406 -10.1406 -7.6754 -7.6754 -7.6406 -7.6406 -7.6163 -7.6163 -2.4916 -2.4916 -1.0888 -1.0888 -0.8383 -0.8383 0.9693 0.9693 1.1791 1.1791 1.5871 1.5871 1.8050 1.8050 2.7763 2.7763 2.9385 2.9385 3.1964 3.1964 3.8229 3.8229 4.0849 4.0849 4.1086 4.1086 4.2153 4.2153 4.8449 4.8449 4.9538 4.9538 4.9713 4.9713 5.1321 5.1321 5.7732 5.7732 9.9884 9.9884 10.4828 10.4828 11.2540 11.2540 12.3239 12.3239 13.1631 13.1631 13.7609 13.7609 k = 0.5000 0.2887 0.4434 ( 4794 PWs) bands (ev): -13.0931 -13.0931 -12.4732 -12.4732 -11.7554 -11.7554 -11.1909 -11.1909 -10.8523 -10.8523 -10.5176 -10.5176 -10.2072 -10.2072 -10.1395 -10.1395 -7.6752 -7.6752 -7.6402 -7.6402 -7.6163 -7.6163 -2.4921 -2.4921 -1.0909 -1.0909 -0.8328 -0.8328 0.9611 0.9611 1.1803 1.1803 1.5939 1.5939 1.7986 1.7986 2.7395 2.7395 2.9560 2.9560 3.1996 3.1996 3.8223 3.8223 4.0919 4.0919 4.1220 4.1220 4.2253 4.2253 4.8387 4.8387 4.9551 4.9551 4.9674 4.9674 5.1359 5.1359 5.7710 5.7710 9.9927 9.9927 10.4738 10.4738 11.2576 11.2576 12.3210 12.3210 13.1484 13.1484 13.7789 13.7789 k = 0.5000 0.2887 0.4270 ( 4806 PWs) bands (ev): -13.0933 -13.0933 -12.4744 -12.4744 -11.7547 -11.7547 -11.1920 -11.1920 -10.8500 -10.8500 -10.5205 -10.5205 -10.2057 -10.2057 -10.1381 -10.1381 -7.6748 -7.6748 -7.6397 -7.6397 -7.6164 -7.6164 -2.4928 -2.4928 -1.0938 -1.0938 -0.8252 -0.8252 0.9502 0.9502 1.1819 1.1819 1.6029 1.6029 1.7898 1.7898 2.6962 2.6962 2.9740 2.9740 3.2039 3.2039 3.8211 3.8211 4.1030 4.1030 4.1363 4.1363 4.2407 4.2407 4.8310 4.8310 4.9475 4.9475 4.9715 4.9715 5.1403 5.1403 5.7682 5.7682 9.9982 9.9982 10.4620 10.4620 11.2623 11.2623 12.3169 12.3169 13.1293 13.1293 13.8027 13.8027 k = 0.5000 0.2887 0.4106 ( 4798 PWs) bands (ev): -13.0934 -13.0934 -12.4759 -12.4759 -11.7539 -11.7539 -11.1934 -11.1934 -10.8471 -10.8471 -10.5240 -10.5240 -10.2038 -10.2038 -10.1363 -10.1363 -7.6743 -7.6743 -7.6390 -7.6390 -7.6166 -7.6166 -2.4936 -2.4936 -1.0975 -1.0975 -0.8156 -0.8156 0.9369 0.9369 1.1837 1.1837 1.6139 1.6139 1.7789 1.7789 2.6480 2.6480 2.9920 2.9920 3.2091 3.2091 3.8193 3.8193 4.1168 4.1168 4.1509 4.1509 4.2621 4.2621 4.8223 4.8223 4.9355 4.9355 4.9792 4.9792 5.1447 5.1447 5.7654 5.7654 10.0045 10.0045 10.4482 10.4482 11.2677 11.2677 12.3117 12.3117 13.1068 13.1068 13.8313 13.8313 k = 0.5000 0.2887 0.3942 ( 4806 PWs) bands (ev): -13.0936 -13.0936 -12.4778 -12.4778 -11.7530 -11.7530 -11.1952 -11.1952 -10.8436 -10.8436 -10.5282 -10.5282 -10.2016 -10.2016 -10.1342 -10.1342 -7.6738 -7.6738 -7.6381 -7.6381 -7.6168 -7.6168 -2.4946 -2.4946 -1.1020 -1.1020 -0.8040 -0.8040 0.9215 0.9215 1.1857 1.1857 1.6263 1.6263 1.7662 1.7662 2.5962 2.5962 3.0103 3.0103 3.2151 3.2151 3.8170 3.8170 4.1309 4.1309 4.1671 4.1671 4.2885 4.2885 4.8129 4.8129 4.9217 4.9217 4.9881 4.9881 5.1487 5.1487 5.7627 5.7627 10.0108 10.0108 10.4332 10.4332 11.2737 11.2737 12.3054 12.3054 13.0820 13.0820 13.8636 13.8636 k = 0.5000 0.2887 0.3777 ( 4810 PWs) bands (ev): -13.0939 -13.0939 -12.4799 -12.4799 -11.7519 -11.7519 -11.1971 -11.1971 -10.8395 -10.8395 -10.5331 -10.5331 -10.1991 -10.1991 -10.1318 -10.1318 -7.6732 -7.6732 -7.6371 -7.6371 -7.6169 -7.6169 -2.4958 -2.4958 -1.1071 -1.1071 -0.7904 -0.7904 0.9045 0.9045 1.1878 1.1878 1.6397 1.6397 1.7518 1.7518 2.5417 2.5417 3.0292 3.0292 3.2217 3.2217 3.8144 3.8144 4.1427 4.1427 4.1871 4.1871 4.3183 4.3183 4.8033 4.8033 4.9070 4.9070 4.9974 4.9974 5.1518 5.1518 5.7608 5.7608 10.0163 10.0163 10.4184 10.4184 11.2797 11.2797 12.2979 12.2979 13.0557 13.0557 13.8989 13.8989 k = 0.5000 0.2887 0.3613 ( 4806 PWs) bands (ev): -13.0941 -13.0941 -12.4822 -12.4822 -11.7506 -11.7506 -11.1993 -11.1993 -10.8349 -10.8349 -10.5384 -10.5384 -10.1963 -10.1963 -10.1291 -10.1291 -7.6726 -7.6726 -7.6359 -7.6359 -7.6172 -7.6172 -2.4970 -2.4970 -1.1129 -1.1129 -0.7750 -0.7750 0.8860 0.8860 1.1900 1.1900 1.6534 1.6534 1.7365 1.7365 2.4853 2.4853 3.0490 3.0490 3.2288 3.2288 3.8116 3.8116 4.1514 4.1514 4.2115 4.2115 4.3497 4.3497 4.7934 4.7934 4.8917 4.8917 5.0069 5.0069 5.1541 5.1541 5.7601 5.7601 10.0199 10.0199 10.4052 10.4052 11.2855 11.2855 12.2893 12.2893 13.0286 13.0286 13.9363 13.9363 k = 0.5000 0.2887 0.3449 ( 4810 PWs) bands (ev): -13.0944 -13.0944 -12.4848 -12.4848 -11.7493 -11.7493 -11.2017 -11.2017 -10.8298 -10.8298 -10.5442 -10.5442 -10.1933 -10.1933 -10.1263 -10.1263 -7.6719 -7.6719 -7.6346 -7.6346 -7.6174 -7.6174 -2.4982 -2.4982 -1.1193 -1.1193 -0.7578 -0.7578 0.8664 0.8664 1.1923 1.1923 1.6660 1.6660 1.7215 1.7215 2.4279 2.4279 3.0701 3.0701 3.2362 3.2362 3.8087 3.8087 4.1580 4.1580 4.2394 4.2394 4.3807 4.3807 4.7835 4.7835 4.8763 4.8763 5.0165 5.0165 5.1553 5.1553 5.7613 5.7613 10.0201 10.0201 10.3951 10.3951 11.2908 11.2908 12.2796 12.2796 13.0015 13.0015 13.9750 13.9750 k = 0.5000 0.2887 0.3285 ( 4812 PWs) bands (ev): -13.0947 -13.0947 -12.4875 -12.4875 -11.7478 -11.7478 -11.2043 -11.2043 -10.8244 -10.8244 -10.5504 -10.5504 -10.1900 -10.1900 -10.1234 -10.1234 -7.6713 -7.6713 -7.6331 -7.6331 -7.6177 -7.6177 -2.4995 -2.4995 -1.1262 -1.1262 -0.7390 -0.7390 0.8458 0.8458 1.1947 1.1947 1.6731 1.6731 1.7110 1.7110 2.3702 2.3702 3.0925 3.0925 3.2439 3.2439 3.8058 3.8058 4.1633 4.1633 4.2697 4.2697 4.4097 4.4097 4.7737 4.7737 4.8608 4.8608 5.0261 5.0261 5.1555 5.1555 5.7648 5.7648 10.0159 10.0159 10.3895 10.3895 11.2953 11.2953 12.2686 12.2686 12.9751 12.9751 14.0144 14.0144 k = 0.5000 0.2887 0.3120 ( 4808 PWs) bands (ev): -13.0951 -13.0951 -12.4904 -12.4904 -11.7462 -11.7462 -11.2070 -11.2070 -10.8186 -10.8186 -10.5568 -10.5568 -10.1867 -10.1867 -10.1203 -10.1203 -7.6706 -7.6706 -7.6314 -7.6314 -7.6180 -7.6180 -2.5008 -2.5008 -1.1335 -1.1335 -0.7187 -0.7187 0.8244 0.8244 1.1972 1.1972 1.6665 1.6665 1.7132 1.7132 2.3128 2.3128 3.1165 3.1165 3.2518 3.2518 3.8031 3.8031 4.1676 4.1676 4.3018 4.3018 4.4354 4.4354 4.7640 4.7640 4.8455 4.8455 5.0355 5.0355 5.1550 5.1550 5.7712 5.7712 10.0064 10.0064 10.3895 10.3895 11.2987 11.2987 12.2565 12.2565 12.9497 12.9497 14.0531 14.0531 k = 0.5000 0.2887 0.2956 ( 4816 PWs) bands (ev): -13.0954 -13.0954 -12.4934 -12.4934 -11.7446 -11.7446 -11.2098 -11.2098 -10.8124 -10.8124 -10.5635 -10.5635 -10.1832 -10.1832 -10.1172 -10.1172 -7.6700 -7.6700 -7.6297 -7.6297 -7.6183 -7.6183 -2.5021 -2.5021 -1.1412 -1.1412 -0.6971 -0.6971 0.8024 0.8024 1.1997 1.1997 1.6504 1.6504 1.7238 1.7238 2.2563 2.2563 3.1421 3.1421 3.2597 3.2597 3.8006 3.8006 4.1712 4.1712 4.3351 4.3351 4.4566 4.4566 4.7545 4.7545 4.8304 4.8304 5.0447 5.0447 5.1539 5.1539 5.7808 5.7808 9.9914 9.9914 10.3954 10.3954 11.3008 11.3008 12.2431 12.2431 12.9260 12.9260 14.0886 14.0886 k = 0.5000 0.2887 0.2792 ( 4826 PWs) bands (ev): -13.0958 -13.0958 -12.4965 -12.4965 -11.7429 -11.7429 -11.2127 -11.2127 -10.8061 -10.8061 -10.5703 -10.5703 -10.1797 -10.1797 -10.1140 -10.1140 -7.6694 -7.6694 -7.6278 -7.6278 -7.6185 -7.6185 -2.5033 -2.5033 -1.1492 -1.1492 -0.6742 -0.6742 0.7799 0.7799 1.2024 1.2024 1.6314 1.6314 1.7361 1.7361 2.2012 2.2012 3.1694 3.1694 3.2677 3.2677 3.7982 3.7982 4.1743 4.1743 4.3690 4.3690 4.4725 4.4725 4.7453 4.7453 4.8156 4.8156 5.0536 5.0536 5.1524 5.1524 5.7938 5.7938 9.9714 9.9714 10.4071 10.4071 11.3014 11.3014 12.2284 12.2284 12.9044 12.9044 14.1131 14.1131 k = 0.5000 0.2887 0.2628 ( 4830 PWs) bands (ev): -13.0961 -13.0961 -12.4997 -12.4997 -11.7411 -11.7411 -11.2157 -11.2157 -10.7995 -10.7995 -10.5773 -10.5773 -10.1762 -10.1762 -10.1109 -10.1109 -7.6689 -7.6689 -7.6258 -7.6258 -7.6188 -7.6188 -2.5044 -2.5044 -1.1574 -1.1574 -0.6503 -0.6503 0.7568 0.7568 1.2053 1.2053 1.6114 1.6114 1.7483 1.7483 2.1482 2.1482 3.1982 3.1982 3.2759 3.2759 3.7961 3.7961 4.1767 4.1767 4.4030 4.4030 4.4829 4.4829 4.7364 4.7364 4.8013 4.8013 5.0623 5.0623 5.1507 5.1507 5.8103 5.8103 9.9473 9.9473 10.4239 10.4239 11.3004 11.3004 12.2125 12.2125 12.8853 12.8853 14.1161 14.1161 k = 0.5000 0.2887 0.2463 ( 4834 PWs) bands (ev): -13.0965 -13.0965 -12.5029 -12.5029 -11.7393 -11.7393 -11.2186 -11.2186 -10.7929 -10.7929 -10.5842 -10.5842 -10.1727 -10.1727 -10.1078 -10.1078 -7.6684 -7.6684 -7.6239 -7.6239 -7.6190 -7.6190 -2.5055 -2.5055 -1.1657 -1.1657 -0.6255 -0.6255 0.7334 0.7334 1.2083 1.2083 1.5911 1.5911 1.7594 1.7594 2.0978 2.0978 3.2282 3.2282 3.2846 3.2846 3.7942 3.7942 4.1786 4.1786 4.4357 4.4357 4.4881 4.4881 4.7279 4.7279 4.7876 4.7876 5.0707 5.0707 5.1489 5.1489 5.8301 5.8301 9.9200 9.9200 10.4448 10.4448 11.2975 11.2975 12.1955 12.1955 12.8690 12.8690 14.1052 14.1053 k = 0.5000 0.2887 0.2299 ( 4822 PWs) bands (ev): -13.0969 -13.0969 -12.5060 -12.5060 -11.7376 -11.7376 -11.2215 -11.2215 -10.7862 -10.7862 -10.5911 -10.5911 -10.1693 -10.1693 -10.1048 -10.1048 -7.6680 -7.6680 -7.6221 -7.6221 -7.6190 -7.6190 -2.5065 -2.5065 -1.1740 -1.1740 -0.5999 -0.5999 0.7097 0.7097 1.2115 1.2115 1.5708 1.5708 1.7690 1.7690 2.0504 2.0504 3.2580 3.2580 3.2952 3.2952 3.7925 3.7925 4.1800 4.1800 4.4616 4.4616 4.4934 4.4934 4.7199 4.7199 4.7749 4.7749 5.0787 5.0787 5.1470 5.1470 5.8529 5.8529 9.8907 9.8907 10.4690 10.4690 11.2927 11.2927 12.1775 12.1775 12.8558 12.8558 14.0898 14.0898 k = 0.5000 0.2887 0.2135 ( 4826 PWs) bands (ev): -13.0972 -13.0972 -12.5091 -12.5091 -11.7358 -11.7358 -11.2244 -11.2244 -10.7795 -10.7795 -10.5979 -10.5979 -10.1660 -10.1660 -10.1019 -10.1019 -7.6676 -7.6676 -7.6211 -7.6211 -7.6181 -7.6181 -2.5073 -2.5073 -1.1822 -1.1822 -0.5738 -0.5738 0.6857 0.6857 1.2148 1.2148 1.5507 1.5507 1.7766 1.7766 2.0069 2.0069 3.2817 3.2817 3.3133 3.3133 3.7909 3.7909 4.1806 4.1806 4.4643 4.4643 4.5148 4.5148 4.7123 4.7123 4.7634 4.7634 5.0863 5.0863 5.1449 5.1449 5.8783 5.8783 9.8602 9.8602 10.4958 10.4958 11.2857 11.2857 12.1587 12.1587 12.8456 12.8456 14.0725 14.0725 k = 0.5000 0.2887 0.1971 ( 4810 PWs) bands (ev): -13.0976 -13.0976 -12.5121 -12.5121 -11.7341 -11.7341 -11.2272 -11.2272 -10.7729 -10.7729 -10.6045 -10.6045 -10.1628 -10.1628 -10.0992 -10.0992 -7.6672 -7.6672 -7.6210 -7.6210 -7.6164 -7.6164 -2.5081 -2.5081 -1.1903 -1.1903 -0.5474 -0.5474 0.6616 0.6616 1.2183 1.2183 1.5311 1.5311 1.7815 1.7815 1.9681 1.9681 3.2947 3.2947 3.3435 3.3435 3.7896 3.7896 4.1806 4.1806 4.4513 4.4513 4.5448 4.5448 4.7053 4.7053 4.7535 4.7535 5.0936 5.0936 5.1427 5.1427 5.9055 5.9055 9.8294 9.8294 10.5247 10.5247 11.2765 11.2765 12.1395 12.1395 12.8386 12.8386 14.0540 14.0540 k = 0.5000 0.2887 0.1807 ( 4806 PWs) bands (ev): -13.0979 -13.0979 -12.5150 -12.5150 -11.7324 -11.7324 -11.2298 -11.2298 -10.7664 -10.7664 -10.6109 -10.6109 -10.1598 -10.1598 -10.0965 -10.0965 -7.6669 -7.6669 -7.6212 -7.6212 -7.6144 -7.6144 -2.5088 -2.5088 -1.1981 -1.1981 -0.5210 -0.5210 0.6375 0.6375 1.2220 1.2220 1.5121 1.5121 1.7825 1.7825 1.9353 1.9353 3.3030 3.3030 3.3797 3.3797 3.7885 3.7885 4.1797 4.1797 4.4310 4.4310 4.5751 4.5751 4.6989 4.6989 4.7453 4.7453 5.1004 5.1004 5.1402 5.1402 5.9341 5.9341 9.7988 9.7988 10.5551 10.5551 11.2649 11.2649 12.1202 12.1202 12.8345 12.8345 14.0345 14.0345 k = 0.5000 0.2887 0.1642 ( 4818 PWs) bands (ev): -13.0983 -13.0983 -12.5178 -12.5178 -11.7308 -11.7308 -11.2323 -11.2323 -10.7601 -10.7601 -10.6171 -10.6171 -10.1570 -10.1570 -10.0941 -10.0941 -7.6666 -7.6666 -7.6215 -7.6215 -7.6124 -7.6124 -2.5093 -2.5093 -1.2055 -1.2055 -0.4947 -0.4947 0.6135 0.6135 1.2259 1.2259 1.4937 1.4937 1.7785 1.7785 1.9099 1.9099 3.3096 3.3096 3.4187 3.4187 3.7876 3.7876 4.1779 4.1779 4.4057 4.4057 4.6041 4.6041 4.6933 4.6933 4.7389 4.7389 5.1068 5.1068 5.1374 5.1374 5.9631 5.9631 9.7691 9.7691 10.5867 10.5867 11.2509 11.2509 12.1012 12.1012 12.8332 12.8332 14.0141 14.0141 k = 0.5000 0.2887 0.1478 ( 4810 PWs) bands (ev): -13.0986 -13.0986 -12.5203 -12.5203 -11.7293 -11.7293 -11.2347 -11.2347 -10.7541 -10.7541 -10.6229 -10.6229 -10.1544 -10.1544 -10.0918 -10.0918 -7.6664 -7.6664 -7.6217 -7.6217 -7.6105 -7.6105 -2.5098 -2.5098 -1.2125 -1.2125 -0.4689 -0.4689 0.5899 0.5899 1.2300 1.2300 1.4762 1.4762 1.7686 1.7686 1.8929 1.8929 3.3153 3.3153 3.4594 3.4594 3.7869 3.7869 4.1748 4.1748 4.3765 4.3765 4.6306 4.6306 4.6889 4.6889 4.7343 4.7343 5.1127 5.1127 5.1343 5.1343 5.9918 5.9918 9.7408 9.7408 10.6191 10.6191 11.2346 11.2346 12.0830 12.0830 12.8342 12.8342 13.9929 13.9929 k = 0.5000 0.2887 0.1314 ( 4808 PWs) bands (ev): -13.0989 -13.0989 -12.5227 -12.5227 -11.7279 -11.7279 -11.2369 -11.2369 -10.7484 -10.7484 -10.6284 -10.6284 -10.1520 -10.1520 -10.0897 -10.0897 -7.6662 -7.6662 -7.6220 -7.6220 -7.6087 -7.6087 -2.5101 -2.5101 -1.2190 -1.2190 -0.4440 -0.4440 0.5670 0.5670 1.2342 1.2342 1.4597 1.4597 1.7540 1.7540 1.8831 1.8831 3.3203 3.3203 3.5014 3.5014 3.7864 3.7864 4.1700 4.1700 4.3450 4.3450 4.6528 4.6528 4.6873 4.6873 4.7311 4.7311 5.1180 5.1180 5.1310 5.1310 6.0197 6.0197 9.7143 9.7143 10.6520 10.6520 11.2159 11.2159 12.0658 12.0658 12.8373 12.8373 13.9714 13.9714 k = 0.5000 0.2887 0.1150 ( 4802 PWs) bands (ev): -13.0991 -13.0991 -12.5249 -12.5249 -11.7266 -11.7266 -11.2388 -11.2388 -10.7430 -10.7430 -10.6335 -10.6335 -10.1499 -10.1499 -10.0878 -10.0878 -7.6660 -7.6660 -7.6223 -7.6223 -7.6070 -7.6070 -2.5104 -2.5104 -1.2250 -1.2250 -0.4203 -0.4203 0.5451 0.5451 1.2384 1.2384 1.4444 1.4444 1.7370 1.7370 1.8784 1.8784 3.3247 3.3247 3.5442 3.5442 3.7862 3.7862 4.1625 4.1625 4.3131 4.3131 4.6648 4.6648 4.6940 4.6940 4.7293 4.7293 5.1227 5.1227 5.1276 5.1276 6.0459 6.0459 9.6901 9.6901 10.6851 10.6851 11.1952 11.1952 12.0501 12.0501 12.8420 12.8420 13.9499 13.9499 k = 0.5000 0.2887 0.0985 ( 4810 PWs) bands (ev): -13.0994 -13.0994 -12.5268 -12.5268 -11.7255 -11.7255 -11.2406 -11.2406 -10.7382 -10.7382 -10.6381 -10.6381 -10.1480 -10.1480 -10.0861 -10.0861 -7.6658 -7.6658 -7.6225 -7.6225 -7.6055 -7.6055 -2.5107 -2.5107 -1.2303 -1.2303 -0.3983 -0.3983 0.5246 0.5246 1.2427 1.2427 1.4304 1.4304 1.7200 1.7200 1.8765 1.8765 3.3286 3.3286 3.5875 3.5875 3.7864 3.7864 4.1508 4.1508 4.2832 4.2832 4.6662 4.6662 4.7090 4.7090 4.7288 4.7288 5.1235 5.1235 5.1277 5.1277 6.0699 6.0699 9.6683 9.6683 10.7182 10.7182 11.1727 11.1727 12.0360 12.0360 12.8476 12.8476 13.9290 13.9290 k = 0.5000 0.2887 0.0821 ( 4806 PWs) bands (ev): -13.0996 -13.0996 -12.5284 -12.5284 -11.7245 -11.7245 -11.2421 -11.2421 -10.7338 -10.7338 -10.6422 -10.6422 -10.1465 -10.1465 -10.0847 -10.0847 -7.6657 -7.6657 -7.6227 -7.6227 -7.6042 -7.6042 -2.5108 -2.5108 -1.2348 -1.2348 -0.3784 -0.3784 0.5060 0.5060 1.2469 1.2469 1.4178 1.4178 1.7044 1.7044 1.8761 1.8761 3.3318 3.3318 3.6303 3.6303 3.7872 3.7872 4.1328 4.1328 4.2584 4.2584 4.6645 4.6645 4.7227 4.7227 4.7311 4.7311 5.1204 5.1204 5.1312 5.1312 6.0911 6.0911 9.6494 9.6494 10.7506 10.7506 11.1489 11.1489 12.0239 12.0239 12.8537 12.8537 13.9096 13.9096 k = 0.5000 0.2887 0.0657 ( 4812 PWs) bands (ev): -13.0997 -13.0997 -12.5298 -12.5298 -11.7237 -11.7237 -11.2433 -11.2433 -10.7301 -10.7301 -10.6458 -10.6458 -10.1452 -10.1452 -10.0835 -10.0835 -7.6656 -7.6656 -7.6229 -7.6229 -7.6031 -7.6031 -2.5109 -2.5109 -1.2387 -1.2387 -0.3612 -0.3612 0.4897 0.4897 1.2508 1.2508 1.4069 1.4069 1.6911 1.6911 1.8762 1.8762 3.3345 3.3345 3.6714 3.6714 3.7892 3.7892 4.1079 4.1079 4.2405 4.2405 4.6624 4.6624 4.7266 4.7266 4.7416 4.7416 5.1173 5.1173 5.1342 5.1342 6.1091 6.1091 9.6335 9.6335 10.7818 10.7818 11.1245 11.1245 12.0138 12.0138 12.8597 12.8597 13.8924 13.8924 k = 0.5000 0.2887 0.0493 ( 4810 PWs) bands (ev): -13.0999 -13.0999 -12.5308 -12.5308 -11.7230 -11.7230 -11.2443 -11.2443 -10.7270 -10.7270 -10.6487 -10.6487 -10.1442 -10.1442 -10.0826 -10.0826 -7.6655 -7.6655 -7.6230 -7.6230 -7.6022 -7.6022 -2.5110 -2.5110 -1.2417 -1.2417 -0.3471 -0.3471 0.4764 0.4764 1.2542 1.2542 1.3980 1.3980 1.6804 1.6804 1.8766 1.8766 3.3366 3.3366 3.7081 3.7081 3.7936 3.7936 4.0779 4.0779 4.2291 4.2291 4.6606 4.6606 4.7275 4.7275 4.7525 4.7525 5.1148 5.1148 5.1367 5.1367 6.1235 6.1235 9.6210 9.6210 10.8107 10.8107 11.1009 11.1009 12.0059 12.0059 12.8650 12.8650 13.8780 13.8780 k = 0.5000 0.2887 0.0328 ( 4802 PWs) bands (ev): -13.1000 -13.1000 -12.5316 -12.5316 -11.7225 -11.7225 -11.2450 -11.2450 -10.7247 -10.7247 -10.6508 -10.6508 -10.1434 -10.1434 -10.0820 -10.0820 -7.6655 -7.6655 -7.6231 -7.6231 -7.6016 -7.6016 -2.5111 -2.5111 -1.2439 -1.2439 -0.3366 -0.3366 0.4664 0.4664 1.2570 1.2570 1.3914 1.3914 1.6727 1.6727 1.8770 1.8770 3.3381 3.3381 3.7358 3.7358 3.8028 3.8028 4.0475 4.0475 4.2224 4.2224 4.6592 4.6592 4.7281 4.7281 4.7606 4.7606 5.1128 5.1128 5.1384 5.1384 6.1340 6.1340 9.6119 9.6119 10.8353 10.8353 11.0798 11.0798 12.0003 12.0003 12.8693 12.8693 13.8672 13.8672 k = 0.5000 0.2887 0.0164 ( 4804 PWs) bands (ev): -13.1000 -13.1000 -12.5321 -12.5321 -11.7223 -11.7223 -11.2454 -11.2454 -10.7233 -10.7233 -10.6522 -10.6522 -10.1430 -10.1430 -10.0815 -10.0815 -7.6655 -7.6655 -7.6232 -7.6232 -7.6012 -7.6012 -2.5111 -2.5111 -1.2452 -1.2452 -0.3302 -0.3302 0.4603 0.4603 1.2588 1.2588 1.3872 1.3872 1.6680 1.6680 1.8773 1.8773 3.3390 3.3390 3.7505 3.7505 3.8159 3.8159 4.0230 4.0230 4.2189 4.2189 4.6584 4.6584 4.7285 4.7285 4.7656 4.7656 5.1116 5.1116 5.1395 5.1395 6.1404 6.1404 9.6064 9.6064 10.8527 10.8527 11.0645 11.0645 11.9969 11.9969 12.8720 12.8720 13.8605 13.8605 k = 0.5000 0.2887-0.0000 ( 4808 PWs) bands (ev): -13.1000 -13.1000 -12.5322 -12.5322 -11.7222 -11.7222 -11.2456 -11.2456 -10.7228 -10.7228 -10.6526 -10.6526 -10.1429 -10.1429 -10.0814 -10.0814 -7.6655 -7.6655 -7.6232 -7.6232 -7.6010 -7.6010 -2.5111 -2.5111 -1.2456 -1.2456 -0.3280 -0.3280 0.4582 0.4582 1.2594 1.2594 1.3858 1.3858 1.6665 1.6665 1.8773 1.8773 3.3393 3.3393 3.7545 3.7545 3.8227 3.8227 4.0131 4.0131 4.2178 4.2178 4.6581 4.6581 4.7286 4.7286 4.7673 4.7673 5.1112 5.1112 5.1399 5.1399 6.1425 6.1425 9.6046 9.6046 10.8592 10.8592 11.0588 11.0588 11.9957 11.9957 12.8729 12.8729 13.8583 13.8583 k = 0.3333 0.5774-0.0000 ( 4815 PWs) bands (ev): -12.8074 -12.8074 -12.7884 -12.7884 -11.8178 -11.8178 -11.0832 -11.0832 -11.0697 -11.0697 -10.4190 -10.4190 -10.1533 -10.1533 -10.1006 -10.1006 -7.6658 -7.6658 -7.6102 -7.6102 -7.6101 -7.6101 -1.8277 -1.8277 -1.8213 -1.8213 -0.5148 -0.5148 0.8042 0.8042 0.9047 0.9047 1.4895 1.4895 2.0095 2.0095 2.0517 2.0517 2.1949 2.1949 3.3881 3.3881 4.3669 4.3669 4.4572 4.4572 4.4678 4.4678 4.7129 4.7129 4.7333 4.7333 4.8377 4.8377 4.9987 4.9987 5.0081 5.0081 6.1911 6.1911 9.8321 9.8321 10.4195 10.4195 11.1186 11.1186 11.7255 11.7255 12.5409 12.5409 14.4511 14.4511 k = 0.3333 0.5774 0.0164 ( 4812 PWs) bands (ev): -12.8063 -12.8063 -12.7873 -12.7873 -11.8161 -11.8161 -11.0876 -11.0876 -11.0742 -11.0742 -10.4221 -10.4221 -10.1504 -10.1504 -10.0975 -10.0975 -7.6655 -7.6655 -7.6083 -7.6083 -7.6081 -7.6081 -1.8340 -1.8340 -1.8282 -1.8282 -0.4728 -0.4728 0.8084 0.8084 0.9080 0.9080 1.4376 1.4376 2.0060 2.0060 2.0487 2.0487 2.1950 2.1950 3.3437 3.3437 4.3659 4.3659 4.4627 4.4627 4.4738 4.4738 4.7340 4.7340 4.7489 4.7489 4.8597 4.8597 4.9869 4.9869 4.9963 4.9963 6.2450 6.2450 9.7888 9.7888 10.3830 10.3830 11.1483 11.1483 11.7731 11.7731 12.5349 12.5349 14.4419 14.4419 k = 0.3333 0.5774 0.0328 ( 4791 PWs) bands (ev): -12.8052 -12.8052 -12.7862 -12.7862 -11.8142 -11.8142 -11.0916 -11.0916 -11.0785 -11.0785 -10.4255 -10.4255 -10.1478 -10.1478 -10.0949 -10.0949 -7.6652 -7.6652 -7.6067 -7.6067 -7.6061 -7.6061 -1.8402 -1.8402 -1.8348 -1.8348 -0.4307 -0.4307 0.8127 0.8127 0.9113 0.9113 1.3877 1.3877 2.0046 2.0046 2.0475 2.0475 2.1953 2.1953 3.3006 3.3006 4.3647 4.3647 4.4686 4.4686 4.4801 4.4801 4.7511 4.7511 4.7609 4.7609 4.8818 4.8818 4.9757 4.9757 4.9848 4.9848 6.2941 6.2941 9.7484 9.7484 10.3483 10.3483 11.1778 11.1778 11.8229 11.8229 12.5302 12.5302 14.4298 14.4298 k = 0.3333 0.5774 0.0493 ( 4803 PWs) bands (ev): -12.8040 -12.8040 -12.7851 -12.7851 -11.8122 -11.8122 -11.0953 -11.0953 -11.0825 -11.0825 -10.4291 -10.4291 -10.1456 -10.1456 -10.0927 -10.0927 -7.6650 -7.6650 -7.6052 -7.6052 -7.6044 -7.6044 -1.8461 -1.8461 -1.8411 -1.8411 -0.3892 -0.3892 0.8171 0.8171 0.9145 0.9145 1.3407 1.3407 2.0053 2.0053 2.0481 2.0481 2.1960 2.1960 3.2587 3.2587 4.3633 4.3633 4.4748 4.4748 4.4868 4.4868 4.7633 4.7633 4.7686 4.7686 4.9038 4.9038 4.9655 4.9655 4.9742 4.9742 6.3380 6.3380 9.7112 9.7112 10.3157 10.3157 11.2069 11.2069 11.8747 11.8747 12.5271 12.5271 14.4141 14.4141 k = 0.3333 0.5774 0.0657 ( 4803 PWs) bands (ev): -12.8028 -12.8028 -12.7839 -12.7839 -11.8100 -11.8100 -11.0987 -11.0987 -11.0862 -11.0862 -10.4328 -10.4328 -10.1437 -10.1437 -10.0909 -10.0909 -7.6648 -7.6648 -7.6039 -7.6039 -7.6028 -7.6028 -1.8516 -1.8516 -1.8469 -1.8469 -0.3490 -0.3490 0.8215 0.8215 0.9176 0.9176 1.2974 1.2974 2.0080 2.0080 2.0506 2.0506 2.1968 2.1968 3.2180 3.2180 4.3616 4.3616 4.4816 4.4816 4.4940 4.4940 4.7701 4.7701 4.7713 4.7713 4.9257 4.9257 4.9567 4.9567 4.9651 4.9651 6.3764 6.3764 9.6774 9.6774 10.2853 10.2853 11.2355 11.2355 11.9286 11.9286 12.5259 12.5259 14.3946 14.3946 k = 0.3333 0.5774 0.0821 ( 4800 PWs) bands (ev): -12.8016 -12.8016 -12.7828 -12.7828 -11.8076 -11.8076 -11.1016 -11.1016 -11.0896 -11.0896 -10.4366 -10.4366 -10.1421 -10.1421 -10.0896 -10.0896 -7.6646 -7.6646 -7.6028 -7.6028 -7.6016 -7.6016 -1.8568 -1.8568 -1.8524 -1.8524 -0.3110 -0.3110 0.8258 0.8258 0.9206 0.9206 1.2589 1.2589 2.0127 2.0127 2.0548 2.0548 2.1980 2.1980 3.1787 3.1787 4.3598 4.3598 4.4887 4.4887 4.5015 4.5015 4.7688 4.7688 4.7710 4.7710 4.9468 4.9468 4.9498 4.9498 4.9582 4.9582 6.4091 6.4091 9.6470 9.6470 10.2574 10.2574 11.2637 11.2637 11.9844 11.9844 12.5268 12.5268 14.3711 14.3711 k = 0.3333 0.5774 0.0985 ( 4800 PWs) bands (ev): -12.8004 -12.8004 -12.7817 -12.7817 -11.8052 -11.8052 -11.1040 -11.1040 -11.0925 -11.0925 -10.4406 -10.4406 -10.1410 -10.1410 -10.0888 -10.0888 -7.6645 -7.6645 -7.6019 -7.6019 -7.6006 -7.6006 -1.8616 -1.8616 -1.8573 -1.8573 -0.2761 -0.2761 0.8300 0.8300 0.9232 0.9232 1.2262 1.2262 2.0194 2.0194 2.0609 2.0609 2.1993 2.1993 3.1407 3.1407 4.3578 4.3578 4.4962 4.4962 4.5094 4.5094 4.7609 4.7609 4.7659 4.7659 4.9449 4.9449 4.9516 4.9516 4.9694 4.9694 6.4359 6.4359 9.6204 9.6204 10.2320 10.2320 11.2912 11.2912 12.0421 12.0421 12.5300 12.5300 14.3435 14.3435 k = 0.3333 0.5774 0.1150 ( 4794 PWs) bands (ev): -12.7992 -12.7992 -12.7806 -12.7806 -11.8026 -11.8026 -11.1060 -11.1060 -11.0951 -11.0951 -10.4446 -10.4446 -10.1402 -10.1402 -10.0884 -10.0884 -7.6643 -7.6643 -7.6013 -7.6013 -7.5999 -7.5999 -1.8658 -1.8658 -1.8616 -1.8616 -0.2453 -0.2453 0.8339 0.8339 0.9256 0.9256 1.2004 1.2004 2.0280 2.0280 2.0688 2.0688 2.2009 2.2009 3.1041 3.1041 4.3556 4.3556 4.5037 4.5037 4.5176 4.5176 4.7482 4.7482 4.7553 4.7553 4.9415 4.9415 4.9482 4.9482 4.9901 4.9901 6.4567 6.4567 9.5976 9.5976 10.2094 10.2094 11.3182 11.3182 12.1014 12.1014 12.5357 12.5357 14.3122 14.3122 k = 0.3333 0.5774 0.1314 ( 4824 PWs) bands (ev): -12.7981 -12.7981 -12.7795 -12.7795 -11.8000 -11.8000 -11.1075 -11.1075 -11.0972 -11.0972 -10.4485 -10.4485 -10.1398 -10.1398 -10.0886 -10.0886 -7.6643 -7.6643 -7.6009 -7.6009 -7.5995 -7.5995 -1.8695 -1.8695 -1.8653 -1.8653 -0.2198 -0.2198 0.8376 0.8376 0.9277 0.9277 1.1826 1.1826 2.0384 2.0384 2.0785 2.0785 2.2028 2.2028 3.0688 3.0688 4.3533 4.3533 4.5110 4.5110 4.5258 4.5258 4.7314 4.7314 4.7399 4.7399 4.9391 4.9391 4.9457 4.9457 5.0103 5.0103 6.4713 6.4713 9.5786 9.5786 10.1894 10.1894 11.3444 11.3444 12.1624 12.1624 12.5439 12.5439 14.2775 14.2775 k = 0.3333 0.5774 0.1478 ( 4812 PWs) bands (ev): -12.7970 -12.7970 -12.7785 -12.7785 -11.7974 -11.7974 -11.1085 -11.1085 -11.0989 -11.0989 -10.4525 -10.4525 -10.1398 -10.1398 -10.0891 -10.0891 -7.6642 -7.6642 -7.6008 -7.6008 -7.5994 -7.5994 -1.8726 -1.8726 -1.8684 -1.8684 -0.2005 -0.2005 0.8410 0.8410 0.9296 0.9296 1.1739 1.1739 2.0507 2.0507 2.0900 2.0900 2.2051 2.2051 3.0348 3.0348 4.3509 4.3509 4.5175 4.5175 4.5336 4.5336 4.7115 4.7115 4.7212 4.7212 4.9372 4.9372 4.9436 4.9436 5.0299 5.0299 6.4797 6.4797 9.5635 9.5635 10.1723 10.1723 11.3700 11.3700 12.2249 12.2249 12.5547 12.5547 14.2398 14.2403 k = 0.3333 0.5774 0.1642 ( 4788 PWs) bands (ev): -12.7959 -12.7959 -12.7776 -12.7776 -11.7947 -11.7947 -11.1090 -11.1090 -11.1001 -11.1001 -10.4563 -10.4563 -10.1402 -10.1402 -10.0902 -10.0902 -7.6642 -7.6642 -7.6009 -7.6009 -7.5996 -7.5996 -1.8751 -1.8751 -1.8707 -1.8707 -0.1881 -0.1881 0.8440 0.8440 0.9314 0.9314 1.1750 1.1750 2.0646 2.0646 2.1033 2.1033 2.2077 2.2077 3.0022 3.0022 4.3484 4.3484 4.5224 4.5224 4.5403 4.5403 4.6898 4.6898 4.7005 4.7005 4.9354 4.9354 4.9416 4.9416 5.0487 5.0487 6.4819 6.4819 9.5524 9.5524 10.1581 10.1581 11.3948 11.3948 12.2886 12.2886 12.5681 12.5681 14.2007 14.2031 k = 0.3333 0.5774 0.1807 ( 4794 PWs) bands (ev): -12.7949 -12.7949 -12.7767 -12.7767 -11.7921 -11.7921 -11.1090 -11.1090 -11.1008 -11.1008 -10.4600 -10.4600 -10.1410 -10.1410 -10.0917 -10.0917 -7.6642 -7.6642 -7.6012 -7.6012 -7.6001 -7.6001 -1.8770 -1.8770 -1.8724 -1.8724 -0.1833 -0.1833 0.8465 0.8465 0.9330 0.9330 1.1864 1.1864 2.0800 2.0800 2.1183 2.1183 2.2107 2.2107 2.9709 2.9709 4.3458 4.3458 4.5239 4.5239 4.5445 4.5445 4.6680 4.6680 4.6798 4.6798 4.9333 4.9333 4.9391 4.9391 5.0665 5.0665 6.4780 6.4780 9.5452 9.5452 10.1468 10.1468 11.4188 11.4188 12.3535 12.3535 12.5837 12.5837 14.1645 14.1694 k = 0.3333 0.5774 0.1971 ( 4794 PWs) bands (ev): -12.7940 -12.7940 -12.7759 -12.7759 -11.7896 -11.7896 -11.1085 -11.1085 -11.1010 -11.1010 -10.4636 -10.4636 -10.1422 -10.1422 -10.0936 -10.0936 -7.6642 -7.6642 -7.6018 -7.6018 -7.6008 -7.6008 -1.8782 -1.8782 -1.8733 -1.8733 -0.1861 -0.1861 0.8485 0.8485 0.9344 0.9344 1.2083 1.2083 2.0967 2.0967 2.1350 2.1350 2.2145 2.2145 2.9410 2.9410 4.3433 4.3433 4.5196 4.5196 4.5431 4.5431 4.6494 4.6494 4.6622 4.6622 4.9309 4.9309 4.9362 4.9362 5.0832 5.0832 6.4681 6.4681 9.5418 9.5418 10.1384 10.1384 11.4419 11.4419 12.4193 12.4193 12.6014 12.6014 14.1094 14.1095 k = 0.3333 0.5774 0.2135 ( 4797 PWs) bands (ev): -12.7932 -12.7932 -12.7753 -12.7753 -11.7871 -11.7871 -11.1074 -11.1074 -11.1008 -11.1008 -10.4669 -10.4669 -10.1437 -10.1437 -10.0960 -10.0960 -7.6642 -7.6642 -7.6026 -7.6026 -7.6019 -7.6019 -1.8787 -1.8787 -1.8735 -1.8735 -0.1962 -0.1962 0.8501 0.8501 0.9355 0.9355 1.2404 1.2404 2.1144 2.1144 2.1534 2.1534 2.2192 2.2192 2.9124 2.9124 4.3407 4.3407 4.5064 4.5064 4.5323 4.5323 4.6382 4.6382 4.6505 4.6505 4.9281 4.9281 4.9328 4.9328 5.0988 5.0988 6.4523 6.4523 9.5422 9.5422 10.1328 10.1328 11.4641 11.4641 12.4856 12.4856 12.6208 12.6208 14.0411 14.0411 k = 0.3333 0.5774 0.2299 ( 4803 PWs) bands (ev): -12.7925 -12.7925 -12.7747 -12.7747 -11.7848 -11.7848 -11.1058 -11.1058 -11.1000 -11.1000 -10.4700 -10.4700 -10.1456 -10.1456 -10.0988 -10.0988 -7.6643 -7.6643 -7.6037 -7.6037 -7.6032 -7.6032 -1.8786 -1.8786 -1.8729 -1.8729 -0.2129 -0.2129 0.8510 0.8510 0.9362 0.9362 1.2824 1.2824 2.1323 2.1323 2.1734 2.1734 2.2256 2.2256 2.8851 2.8851 4.3382 4.3382 4.4833 4.4833 4.5105 4.5105 4.6357 4.6357 4.6460 4.6460 4.9249 4.9249 4.9290 4.9290 5.1132 5.1132 6.4308 6.4308 9.5462 9.5462 10.1302 10.1302 11.4854 11.4854 12.5521 12.5521 12.6416 12.6416 13.9721 13.9722 k = 0.3333 0.5774 0.2463 ( 4821 PWs) bands (ev): -12.7919 -12.7919 -12.7742 -12.7742 -11.7826 -11.7826 -11.1037 -11.1037 -11.0987 -11.0987 -10.4728 -10.4728 -10.1478 -10.1478 -10.1019 -10.1019 -7.6645 -7.6645 -7.6049 -7.6049 -7.6048 -7.6048 -1.8778 -1.8778 -1.8717 -1.8717 -0.2355 -0.2355 0.8514 0.8514 0.9364 0.9364 1.3333 1.3333 2.1494 2.1494 2.1950 2.1950 2.2343 2.2343 2.8591 2.8591 4.3357 4.3357 4.4518 4.4518 4.4806 4.4806 4.6393 4.6393 4.6473 4.6473 4.9216 4.9216 4.9250 4.9250 5.1262 5.1262 6.4037 6.4037 9.5537 9.5537 10.1302 10.1302 11.5056 11.5056 12.6183 12.6183 12.6633 12.6633 13.9032 13.9032 k = 0.3333 0.5774 0.2628 ( 4815 PWs) bands (ev): -12.7915 -12.7915 -12.7738 -12.7738 -11.7805 -11.7805 -11.1012 -11.1012 -11.0970 -11.0970 -10.4754 -10.4754 -10.1503 -10.1503 -10.1054 -10.1054 -7.6647 -7.6647 -7.6066 -7.6066 -7.6063 -7.6063 -1.8763 -1.8763 -1.8697 -1.8697 -0.2629 -0.2629 0.8513 0.8513 0.9360 0.9360 1.3924 1.3924 2.1647 2.1647 2.2179 2.2179 2.2467 2.2467 2.8344 2.8344 4.3332 4.3332 4.4142 4.4142 4.4456 4.4456 4.6460 4.6460 4.6519 4.6519 4.9184 4.9184 4.9211 4.9211 5.1378 5.1378 6.3715 6.3715 9.5645 9.5645 10.1331 10.1331 11.5247 11.5247 12.6835 12.6835 12.6852 12.6852 13.8349 13.8349 k = 0.3333 0.5774 0.2792 ( 4809 PWs) bands (ev): -12.7911 -12.7911 -12.7736 -12.7736 -11.7787 -11.7787 -11.0981 -11.0981 -11.0948 -11.0948 -10.4775 -10.4775 -10.1532 -10.1532 -10.1092 -10.1092 -7.6649 -7.6649 -7.6086 -7.6086 -7.6079 -7.6079 -1.8743 -1.8743 -1.8671 -1.8671 -0.2942 -0.2942 0.8505 0.8505 0.9351 0.9351 1.4586 1.4586 2.1770 2.1770 2.2422 2.2422 2.2636 2.2636 2.8109 2.8109 4.3309 4.3309 4.3724 4.3724 4.4074 4.4074 4.6539 4.6539 4.6581 4.6581 4.9154 4.9154 4.9175 4.9175 5.1480 5.1480 6.3343 6.3343 9.5785 9.5785 10.1386 10.1386 11.5424 11.5424 12.7066 12.7066 12.7467 12.7467 13.7682 13.7682 k = 0.3333 0.5774 0.2956 ( 4815 PWs) bands (ev): -12.7909 -12.7909 -12.7735 -12.7735 -11.7771 -11.7771 -11.0946 -11.0946 -11.0921 -11.0921 -10.4793 -10.4793 -10.1563 -10.1563 -10.1133 -10.1133 -7.6652 -7.6652 -7.6108 -7.6108 -7.6096 -7.6096 -1.8716 -1.8716 -1.8638 -1.8638 -0.3285 -0.3285 0.8493 0.8493 0.9337 0.9337 1.5310 1.5310 2.1864 2.1864 2.2675 2.2675 2.2848 2.2848 2.7885 2.7885 4.3245 4.3245 4.3315 4.3315 4.3669 4.3669 4.6619 4.6619 4.6647 4.6647 4.9130 4.9130 4.9147 4.9147 5.1566 5.1566 6.2924 6.2924 9.5955 9.5955 10.1466 10.1466 11.5588 11.5588 12.7269 12.7269 12.8064 12.8064 13.7046 13.7046 k = 0.3333 0.5774 0.3120 ( 4821 PWs) bands (ev): -12.7908 -12.7908 -12.7735 -12.7735 -11.7757 -11.7757 -11.0907 -11.0907 -11.0890 -11.0890 -10.4807 -10.4807 -10.1596 -10.1596 -10.1177 -10.1177 -7.6655 -7.6655 -7.6131 -7.6131 -7.6114 -7.6114 -1.8683 -1.8683 -1.8599 -1.8599 -0.3650 -0.3650 0.8475 0.8475 0.9318 0.9318 1.6087 1.6087 2.1935 2.1935 2.2938 2.2938 2.3096 2.3096 2.7673 2.7673 4.2793 4.2793 4.3248 4.3248 4.3273 4.3273 4.6694 4.6694 4.6709 4.6709 4.9115 4.9115 4.9130 4.9130 5.1638 5.1638 6.2461 6.2461 9.6152 9.6152 10.1571 10.1571 11.5735 11.5735 12.7451 12.7451 12.8607 12.8607 13.6461 13.6461 k = 0.3333 0.5774 0.3285 ( 4818 PWs) bands (ev): -12.7908 -12.7908 -12.7736 -12.7736 -11.7745 -11.7745 -11.0865 -11.0865 -11.0855 -11.0855 -10.4817 -10.4817 -10.1632 -10.1632 -10.1222 -10.1222 -7.6658 -7.6658 -7.6156 -7.6156 -7.6133 -7.6133 -1.8645 -1.8645 -1.8555 -1.8555 -0.4030 -0.4030 0.8452 0.8452 0.9295 0.9295 1.6907 1.6907 2.1993 2.1993 2.3209 2.3209 2.3371 2.3371 2.7472 2.7472 4.2302 4.2302 4.2817 4.2817 4.3254 4.3254 4.6759 4.6759 4.6760 4.6760 4.9111 4.9111 4.9126 4.9126 5.1693 5.1693 6.1957 6.1957 9.6375 9.6375 10.1699 10.1699 11.5864 11.5864 12.7605 12.7605 12.9062 12.9062 13.5960 13.5960 k = 0.3333 0.5774 0.3449 ( 4818 PWs) bands (ev): -12.7909 -12.7909 -12.7738 -12.7738 -11.7737 -11.7737 -11.0819 -11.0819 -11.0816 -11.0816 -10.4822 -10.4822 -10.1669 -10.1669 -10.1270 -10.1270 -7.6663 -7.6663 -7.6182 -7.6182 -7.6153 -7.6153 -1.8602 -1.8602 -1.8505 -1.8505 -0.4418 -0.4418 0.8426 0.8426 0.9268 0.9268 1.7763 1.7763 2.2046 2.2046 2.3484 2.3484 2.3663 2.3663 2.7282 2.7282 4.1800 4.1800 4.2380 4.2380 4.3238 4.3238 4.6795 4.6795 4.6809 4.6809 4.9123 4.9123 4.9140 4.9140 5.1733 5.1733 6.1416 6.1416 9.6622 9.6622 10.1849 10.1849 11.5972 11.5972 12.7722 12.7722 12.9386 12.9386 13.5585 13.5585 k = 0.3333 0.5774 0.3613 ( 4812 PWs) bands (ev): -12.7912 -12.7912 -12.7742 -12.7742 -11.7731 -11.7731 -11.0773 -11.0773 -11.0770 -11.0770 -10.4824 -10.4824 -10.1708 -10.1708 -10.1318 -10.1318 -7.6668 -7.6668 -7.6209 -7.6209 -7.6173 -7.6173 -1.8554 -1.8554 -1.8450 -1.8450 -0.4810 -0.4810 0.8395 0.8395 0.9238 0.9238 1.8642 1.8642 2.2103 2.2103 2.3761 2.3761 2.3967 2.3967 2.7101 2.7101 4.1291 4.1291 4.1943 4.1943 4.3224 4.3224 4.6812 4.6812 4.6841 4.6841 4.9151 4.9151 4.9172 4.9172 5.1758 5.1758 6.0840 6.0840 9.6890 9.6890 10.2019 10.2019 11.6057 11.6057 12.7796 12.7796 12.9529 12.9529 13.5386 13.5386 k = 0.3333 0.5774 0.3777 ( 4812 PWs) bands (ev): -12.7916 -12.7916 -12.7746 -12.7746 -11.7728 -11.7728 -11.0728 -11.0728 -11.0718 -11.0718 -10.4820 -10.4820 -10.1748 -10.1748 -10.1368 -10.1368 -7.6673 -7.6673 -7.6236 -7.6236 -7.6193 -7.6193 -1.8503 -1.8503 -1.8392 -1.8392 -0.5201 -0.5201 0.8361 0.8361 0.9206 0.9206 1.9528 1.9528 2.2178 2.2178 2.4036 2.4036 2.4278 2.4278 2.6928 2.6928 4.0783 4.0783 4.1509 4.1509 4.3213 4.3213 4.6810 4.6810 4.6854 4.6854 4.9197 4.9197 4.9223 4.9223 5.1767 5.1767 6.0232 6.0232 9.7178 9.7178 10.2209 10.2209 11.6115 11.6115 12.7823 12.7823 12.9458 12.9458 13.5394 13.5394 k = 0.3333 0.5774 0.3942 ( 4812 PWs) bands (ev): -12.7921 -12.7921 -12.7752 -12.7752 -11.7728 -11.7728 -11.0680 -11.0680 -11.0665 -11.0665 -10.4813 -10.4813 -10.1789 -10.1789 -10.1417 -10.1417 -7.6679 -7.6679 -7.6264 -7.6264 -7.6213 -7.6213 -1.8447 -1.8447 -1.8330 -1.8330 -0.5587 -0.5587 0.8324 0.8324 0.9172 0.9172 2.0380 2.0380 2.2308 2.2308 2.4306 2.4306 2.4590 2.4590 2.6764 2.6764 4.0280 4.0280 4.1085 4.1085 4.3204 4.3204 4.6788 4.6788 4.6849 4.6849 4.9260 4.9260 4.9293 4.9293 5.1761 5.1761 5.9597 5.9597 9.7483 9.7483 10.2417 10.2417 11.6144 11.6144 12.7803 12.7803 12.9182 12.9182 13.5601 13.5601 k = 0.3333 0.5774 0.4106 ( 4818 PWs) bands (ev): -12.7927 -12.7927 -12.7759 -12.7759 -11.7730 -11.7730 -11.0631 -11.0631 -11.0610 -11.0610 -10.4801 -10.4801 -10.1830 -10.1830 -10.1467 -10.1467 -7.6686 -7.6686 -7.6291 -7.6291 -7.6232 -7.6232 -1.8390 -1.8390 -1.8266 -1.8266 -0.5966 -0.5966 0.8285 0.8285 0.9136 0.9136 2.1097 2.1097 2.2587 2.2587 2.4567 2.4567 2.4901 2.4901 2.6607 2.6607 3.9790 3.9790 4.0675 4.0675 4.3198 4.3198 4.6750 4.6750 4.6826 4.6826 4.9339 4.9339 4.9378 4.9378 5.1741 5.1741 5.8936 5.8936 9.7804 9.7804 10.2641 10.2641 11.6140 11.6140 12.7737 12.7737 12.8743 12.8743 13.5963 13.5963 k = 0.3333 0.5774 0.4270 ( 4815 PWs) bands (ev): -12.7935 -12.7935 -12.7767 -12.7767 -11.7736 -11.7736 -11.0580 -11.0580 -11.0555 -11.0555 -10.4785 -10.4785 -10.1871 -10.1871 -10.1516 -10.1516 -7.6693 -7.6693 -7.6319 -7.6319 -7.6250 -7.6250 -1.8330 -1.8330 -1.8199 -1.8199 -0.6334 -0.6334 0.8245 0.8245 0.9100 0.9100 2.1529 2.1529 2.3162 2.3162 2.4814 2.4814 2.5207 2.5207 2.6456 2.6456 3.9321 3.9321 4.0285 4.0285 4.3195 4.3195 4.6696 4.6696 4.6788 4.6788 4.9431 4.9431 4.9476 4.9476 5.1707 5.1707 5.8254 5.8254 9.8139 9.8139 10.2880 10.2880 11.6099 11.6099 12.7633 12.7633 12.8190 12.8190 13.6432 13.6432 k = 0.3333 0.5774 0.4434 ( 4830 PWs) bands (ev): -12.7943 -12.7943 -12.7775 -12.7775 -11.7745 -11.7745 -11.0527 -11.0527 -11.0499 -11.0499 -10.4765 -10.4765 -10.1912 -10.1912 -10.1563 -10.1563 -7.6700 -7.6700 -7.6345 -7.6345 -7.6268 -7.6268 -1.8268 -1.8268 -1.8131 -1.8131 -0.6689 -0.6689 0.8204 0.8204 0.9063 0.9063 2.1717 2.1717 2.3976 2.3976 2.5041 2.5041 2.5510 2.5510 2.6312 2.6312 3.8878 3.8878 3.9922 3.9922 4.3194 4.3194 4.6630 4.6630 4.6736 4.6736 4.9533 4.9533 4.9584 4.9584 5.1660 5.1660 5.7553 5.7553 9.8486 9.8486 10.3133 10.3133 11.6020 11.6020 12.7500 12.7500 12.7562 12.7562 13.6967 13.6968 k = 0.3333 0.5774 0.4598 ( 4824 PWs) bands (ev): -12.7952 -12.7952 -12.7784 -12.7784 -11.7756 -11.7756 -11.0475 -11.0475 -11.0444 -11.0444 -10.4742 -10.4742 -10.1951 -10.1951 -10.1609 -10.1609 -7.6708 -7.6708 -7.6370 -7.6370 -7.6284 -7.6284 -1.8205 -1.8205 -1.8062 -1.8062 -0.7029 -0.7029 0.8162 0.8162 0.9027 0.9027 2.1800 2.1800 2.4847 2.4847 2.5243 2.5243 2.5839 2.5839 2.6180 2.6180 3.8473 3.8473 3.9593 3.9593 4.3196 4.3196 4.6554 4.6554 4.6673 4.6673 4.9642 4.9642 4.9698 4.9698 5.1601 5.1601 5.6836 5.6836 9.8843 9.8843 10.3398 10.3398 11.5898 11.5898 12.6885 12.6885 12.7347 12.7347 13.7543 13.7543 k = 0.3333 0.5774 0.4763 ( 4818 PWs) bands (ev): -12.7962 -12.7962 -12.7794 -12.7794 -11.7769 -11.7769 -11.0423 -11.0423 -11.0391 -11.0391 -10.4714 -10.4714 -10.1989 -10.1989 -10.1652 -10.1652 -7.6716 -7.6716 -7.6395 -7.6395 -7.6299 -7.6299 -1.8142 -1.8142 -1.7994 -1.7994 -0.7352 -0.7352 0.8120 0.8120 0.8991 0.8991 2.1842 2.1842 2.5414 2.5414 2.5534 2.5534 2.6020 2.6020 2.6397 2.6397 3.8114 3.8114 3.9303 3.9303 4.3201 4.3201 4.6470 4.6470 4.6603 4.6603 4.9757 4.9757 4.9817 4.9817 5.1531 5.1531 5.6108 5.6108 9.9209 9.9209 10.3673 10.3673 11.5732 11.5732 12.6178 12.6178 12.7184 12.7184 13.8140 13.8140 k = 0.3333 0.5774 0.4927 ( 4812 PWs) bands (ev): -12.7973 -12.7973 -12.7804 -12.7804 -11.7785 -11.7785 -11.0371 -11.0371 -11.0339 -11.0339 -10.4684 -10.4684 -10.2025 -10.2025 -10.1692 -10.1692 -7.6724 -7.6724 -7.6417 -7.6417 -7.6313 -7.6313 -1.8080 -1.8080 -1.7926 -1.7926 -0.7657 -0.7657 0.8078 0.8078 0.8957 0.8957 2.1862 2.1862 2.5550 2.5550 2.5788 2.5788 2.5984 2.5984 2.7248 2.7248 3.7811 3.7811 3.9060 3.9060 4.3209 4.3209 4.6381 4.6381 4.6525 4.6525 4.9874 4.9874 4.9938 4.9938 5.1451 5.1451 5.5373 5.5373 9.9581 9.9581 10.3957 10.3957 11.5521 11.5521 12.5452 12.5452 12.7021 12.7021 13.8545 13.8744 Writing output data file Sb2PbO6.save init_run : 0.34s CPU 0.51s WALL ( 1 calls) electrons : 340.87s CPU 345.07s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 340.86s CPU 345.06s 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 : 0.07s CPU 0.11s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.07s CPU 0.08s WALL ( 289 calls) cegterg : 323.62s CPU 327.22s WALL ( 718 calls) Called by sum_band: Called by *egterg: h_psi : 158.94s CPU 160.99s WALL ( 13260 calls) s_psi : 10.76s CPU 10.75s WALL ( 13260 calls) g_psi : 0.48s CPU 0.43s WALL ( 12253 calls) cdiaghg : 130.58s CPU 131.99s WALL ( 12542 calls) cegterg:over : 13.23s CPU 13.52s WALL ( 12253 calls) cegterg:upda : 12.94s CPU 12.97s WALL ( 12253 calls) cegterg:last : 5.70s CPU 5.71s WALL ( 1514 calls) cdiaghg:chol : 7.47s CPU 7.55s WALL ( 12542 calls) cdiaghg:inve : 5.34s CPU 5.33s WALL ( 12542 calls) cdiaghg:para : 8.89s CPU 9.06s WALL ( 25084 calls) Called by h_psi: h_psi:vloc : 134.29s CPU 136.42s WALL ( 13260 calls) h_psi:vnl : 24.12s CPU 24.08s WALL ( 13260 calls) add_vuspsi : 12.66s CPU 12.54s WALL ( 13260 calls) General routines calbec : 11.40s CPU 11.50s WALL ( 13260 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 125.72s CPU 127.74s WALL ( 1242492 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.19s CPU 0.29s WALL ( 578 calls) Parallel routines fft_scatter : 39.60s CPU 40.61s WALL ( 1242515 calls) PWSCF : 6m 1.63s CPU 6m18.03s WALL This run was terminated on: 21: 8: 3 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=