Program PWSCF v.5.4.0 starts on 10Feb2017 at 15:42: 8 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 & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 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: ./KSrCO3F.save/ file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized file K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 61 38 11 2106 1000 155 Max 63 39 12 2112 1012 159 Sum 2233 1369 397 75951 36171 5661 bravais-lattice index = 14 lattice parameter (alat) = 9.9396 a.u. unit-cell volume = 759.2009 (a.u.)^3 number of atoms/cell = 7 number of atomic types = 5 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.939581 celldm(2)= 1.000000 celldm(3)= 0.892734 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 0.892734 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 1.120155 ) 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 F read from file: /users/gautes/Pseudo/F.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: ce20c52fa94def3fe434d52ed9f7ea44 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1105 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for K read from file: /users/gautes/Pseudo/K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3dd1b7807415f540a701f2a402ca1bb0 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1165 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 4 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 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. # 5 for Sr read from file: /users/gautes/Pseudo/Sr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 971034ad0a3914f6282d12395b0824f8 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1221 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) F 7.00 18.99840 F( 1.00) K 9.00 39.09830 K( 1.00) C 4.00 12.01070 C( 1.00) Sr 10.00 87.62000 Sr( 1.00) 12 Sym. Ops. (no 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 inv. 180 deg rotation - cart. axis [0,0,1] 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 [1,0,0] 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. 60 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( -1 -1 0 ) ( 1 0 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. 60 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 0 1 0 ) ( -1 -1 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 [0,1,0] cryst. s(11) = ( 1 1 0 ) ( 0 -1 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 [1,1,0] cryst. s(12) = ( 0 -1 0 ) ( -1 0 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_3h (-62m) there are 9 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3C2' s_h 2S3 -2S3 3s_v -3C2' -s_h' -3s_v G_7 2.00 -2.00 1.00 -1.00 0.00 0.00 1.73 -1.73 0.00 G_8 2.00 -2.00 1.00 -1.00 0.00 0.00 -1.73 1.73 0.00 G_9 2.00 -2.00 -2.00 2.00 0.00 0.00 0.00 0.00 0.00 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'-3C2' 2 -6 -5 -2 5 6 180 deg rotation - cart. axis [0,1,0] 2S3 9 10 inv. 60 deg rotation - cryst. axis [0,0,1] -2S3 -9 -10 inv. 60 deg rotation - cryst. axis [0,0,1] E 3s_v-3s_v 7 -7 inv. 180 deg rotation - cart. axis [0,0,1] 3s_v-3s_v 8 -8 11 -12 -11 12 inv. 180 deg rotation - cart. axis [1,0,0] Cartesian axes number of k points= 301 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 k( 2) = ( 0.0142857 0.0082479 -0.0000000), wk = 0.0033223 k( 3) = ( 0.0285714 0.0164957 -0.0000000), wk = 0.0033223 k( 4) = ( 0.0428571 0.0247436 -0.0000000), wk = 0.0033223 k( 5) = ( 0.0571429 0.0329914 -0.0000000), wk = 0.0033223 k( 6) = ( 0.0714286 0.0412393 -0.0000000), wk = 0.0033223 k( 7) = ( 0.0857143 0.0494872 -0.0000000), wk = 0.0033223 k( 8) = ( 0.1000000 0.0577350 -0.0000000), wk = 0.0033223 k( 9) = ( 0.1142857 0.0659829 -0.0000000), wk = 0.0033223 k( 10) = ( 0.1285714 0.0742307 -0.0000000), wk = 0.0033223 k( 11) = ( 0.1428571 0.0824786 -0.0000000), wk = 0.0033223 k( 12) = ( 0.1571429 0.0907265 -0.0000000), wk = 0.0033223 k( 13) = ( 0.1714286 0.0989743 -0.0000000), wk = 0.0033223 k( 14) = ( 0.1857143 0.1072222 -0.0000000), wk = 0.0033223 k( 15) = ( 0.2000000 0.1154701 -0.0000000), wk = 0.0033223 k( 16) = ( 0.2142857 0.1237179 -0.0000000), wk = 0.0033223 k( 17) = ( 0.2285714 0.1319658 -0.0000000), wk = 0.0033223 k( 18) = ( 0.2428571 0.1402136 -0.0000000), wk = 0.0033223 k( 19) = ( 0.2571429 0.1484615 -0.0000000), wk = 0.0033223 k( 20) = ( 0.2714286 0.1567094 -0.0000000), wk = 0.0033223 k( 21) = ( 0.2857143 0.1649572 -0.0000000), wk = 0.0033223 k( 22) = ( 0.3000000 0.1732051 -0.0000000), wk = 0.0033223 k( 23) = ( 0.3142857 0.1814529 -0.0000000), wk = 0.0033223 k( 24) = ( 0.3285714 0.1897008 -0.0000000), wk = 0.0033223 k( 25) = ( 0.3428571 0.1979487 -0.0000000), wk = 0.0033223 k( 26) = ( 0.3571429 0.2061965 -0.0000000), wk = 0.0033223 k( 27) = ( 0.3714286 0.2144444 -0.0000000), wk = 0.0033223 k( 28) = ( 0.3857143 0.2226922 -0.0000000), wk = 0.0033223 k( 29) = ( 0.4000000 0.2309401 -0.0000000), wk = 0.0033223 k( 30) = ( 0.4142857 0.2391880 -0.0000000), wk = 0.0033223 k( 31) = ( 0.4285714 0.2474358 -0.0000000), wk = 0.0033223 k( 32) = ( 0.4428571 0.2556837 -0.0000000), wk = 0.0033223 k( 33) = ( 0.4571429 0.2639316 -0.0000000), wk = 0.0033223 k( 34) = ( 0.4714286 0.2721794 -0.0000000), wk = 0.0033223 k( 35) = ( 0.4857143 0.2804273 -0.0000000), wk = 0.0033223 k( 36) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033223 k( 37) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033223 k( 38) = ( 0.4916667 0.3031089 -0.0000000), wk = 0.0033223 k( 39) = ( 0.4833333 0.3175426 -0.0000000), wk = 0.0033223 k( 40) = ( 0.4750000 0.3319764 -0.0000000), wk = 0.0033223 k( 41) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0033223 k( 42) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0033223 k( 43) = ( 0.4500000 0.3752777 -0.0000000), wk = 0.0033223 k( 44) = ( 0.4416667 0.3897114 -0.0000000), wk = 0.0033223 k( 45) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0033223 k( 46) = ( 0.4250000 0.4185789 -0.0000000), wk = 0.0033223 k( 47) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0033223 k( 48) = ( 0.4083333 0.4474465 -0.0000000), wk = 0.0033223 k( 49) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0033223 k( 50) = ( 0.3916667 0.4763140 -0.0000000), wk = 0.0033223 k( 51) = ( 0.3833333 0.4907477 -0.0000000), wk = 0.0033223 k( 52) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0033223 k( 53) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0033223 k( 54) = ( 0.3583333 0.5340490 -0.0000000), wk = 0.0033223 k( 55) = ( 0.3500000 0.5484828 -0.0000000), wk = 0.0033223 k( 56) = ( 0.3416667 0.5629165 -0.0000000), wk = 0.0033223 k( 57) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033223 k( 58) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033223 k( 59) = ( 0.3250000 0.5629165 -0.0000000), wk = 0.0033223 k( 60) = ( 0.3166667 0.5484828 -0.0000000), wk = 0.0033223 k( 61) = ( 0.3083333 0.5340490 -0.0000000), wk = 0.0033223 k( 62) = ( 0.3000000 0.5196152 -0.0000000), wk = 0.0033223 k( 63) = ( 0.2916667 0.5051815 -0.0000000), wk = 0.0033223 k( 64) = ( 0.2833333 0.4907477 -0.0000000), wk = 0.0033223 k( 65) = ( 0.2750000 0.4763140 -0.0000000), wk = 0.0033223 k( 66) = ( 0.2666667 0.4618802 -0.0000000), wk = 0.0033223 k( 67) = ( 0.2583333 0.4474465 -0.0000000), wk = 0.0033223 k( 68) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0033223 k( 69) = ( 0.2416667 0.4185790 -0.0000000), wk = 0.0033223 k( 70) = ( 0.2333333 0.4041452 -0.0000000), wk = 0.0033223 k( 71) = ( 0.2250000 0.3897114 -0.0000000), wk = 0.0033223 k( 72) = ( 0.2166667 0.3752777 -0.0000000), wk = 0.0033223 k( 73) = ( 0.2083333 0.3608439 -0.0000000), wk = 0.0033223 k( 74) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0033223 k( 75) = ( 0.1916667 0.3319764 -0.0000000), wk = 0.0033223 k( 76) = ( 0.1833333 0.3175426 -0.0000000), wk = 0.0033223 k( 77) = ( 0.1750000 0.3031089 -0.0000000), wk = 0.0033223 k( 78) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0033223 k( 79) = ( 0.1583333 0.2742414 -0.0000000), wk = 0.0033223 k( 80) = ( 0.1500000 0.2598076 -0.0000000), wk = 0.0033223 k( 81) = ( 0.1416667 0.2453739 -0.0000000), wk = 0.0033223 k( 82) = ( 0.1333333 0.2309401 -0.0000000), wk = 0.0033223 k( 83) = ( 0.1250000 0.2165064 -0.0000000), wk = 0.0033223 k( 84) = ( 0.1166667 0.2020726 -0.0000000), wk = 0.0033223 k( 85) = ( 0.1083333 0.1876388 -0.0000000), wk = 0.0033223 k( 86) = ( 0.1000000 0.1732051 -0.0000000), wk = 0.0033223 k( 87) = ( 0.0916667 0.1587713 -0.0000000), wk = 0.0033223 k( 88) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0033223 k( 89) = ( 0.0750000 0.1299038 -0.0000000), wk = 0.0033223 k( 90) = ( 0.0666667 0.1154701 -0.0000000), wk = 0.0033223 k( 91) = ( 0.0583333 0.1010363 -0.0000000), wk = 0.0033223 k( 92) = ( 0.0500000 0.0866025 -0.0000000), wk = 0.0033223 k( 93) = ( 0.0416667 0.0721688 -0.0000000), wk = 0.0033223 k( 94) = ( 0.0333333 0.0577350 -0.0000000), wk = 0.0033223 k( 95) = ( 0.0250000 0.0433013 -0.0000000), wk = 0.0033223 k( 96) = ( 0.0166667 0.0288675 -0.0000000), wk = 0.0033223 k( 97) = ( 0.0083333 0.0144338 -0.0000000), wk = 0.0033223 k( 98) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 k( 99) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 k( 100) = ( 0.0000000 0.0000000 0.0164729), wk = 0.0033223 k( 101) = ( 0.0000000 0.0000000 0.0329457), wk = 0.0033223 k( 102) = ( 0.0000000 0.0000000 0.0494186), wk = 0.0033223 k( 103) = ( 0.0000000 0.0000000 0.0658915), wk = 0.0033223 k( 104) = ( 0.0000000 0.0000000 0.0823643), wk = 0.0033223 k( 105) = ( 0.0000000 0.0000000 0.0988372), wk = 0.0033223 k( 106) = ( 0.0000000 0.0000000 0.1153101), wk = 0.0033223 k( 107) = ( 0.0000000 0.0000000 0.1317829), wk = 0.0033223 k( 108) = ( 0.0000000 0.0000000 0.1482558), wk = 0.0033223 k( 109) = ( 0.0000000 0.0000000 0.1647287), wk = 0.0033223 k( 110) = ( 0.0000000 0.0000000 0.1812016), wk = 0.0033223 k( 111) = ( 0.0000000 0.0000000 0.1976744), wk = 0.0033223 k( 112) = ( 0.0000000 0.0000000 0.2141473), wk = 0.0033223 k( 113) = ( 0.0000000 0.0000000 0.2306202), wk = 0.0033223 k( 114) = ( 0.0000000 0.0000000 0.2470930), wk = 0.0033223 k( 115) = ( 0.0000000 0.0000000 0.2635659), wk = 0.0033223 k( 116) = ( 0.0000000 0.0000000 0.2800388), wk = 0.0033223 k( 117) = ( 0.0000000 0.0000000 0.2965116), wk = 0.0033223 k( 118) = ( 0.0000000 0.0000000 0.3129845), wk = 0.0033223 k( 119) = ( 0.0000000 0.0000000 0.3294574), wk = 0.0033223 k( 120) = ( 0.0000000 0.0000000 0.3459302), wk = 0.0033223 k( 121) = ( 0.0000000 0.0000000 0.3624031), wk = 0.0033223 k( 122) = ( 0.0000000 0.0000000 0.3788760), wk = 0.0033223 k( 123) = ( 0.0000000 0.0000000 0.3953488), wk = 0.0033223 k( 124) = ( 0.0000000 0.0000000 0.4118217), wk = 0.0033223 k( 125) = ( 0.0000000 0.0000000 0.4282946), wk = 0.0033223 k( 126) = ( 0.0000000 0.0000000 0.4447674), wk = 0.0033223 k( 127) = ( 0.0000000 0.0000000 0.4612403), wk = 0.0033223 k( 128) = ( 0.0000000 0.0000000 0.4777132), wk = 0.0033223 k( 129) = ( 0.0000000 0.0000000 0.4941860), wk = 0.0033223 k( 130) = ( 0.0000000 0.0000000 0.5106589), wk = 0.0033223 k( 131) = ( 0.0000000 0.0000000 0.5271318), wk = 0.0033223 k( 132) = ( 0.0000000 0.0000000 0.5436047), wk = 0.0033223 k( 133) = ( 0.0000000 0.0000000 0.5600775), wk = 0.0033223 k( 134) = ( 0.0000000 0.0000000 0.5600775), wk = 0.0033223 k( 135) = ( 0.0142857 0.0082479 0.5600775), wk = 0.0033223 k( 136) = ( 0.0285714 0.0164957 0.5600775), wk = 0.0033223 k( 137) = ( 0.0428571 0.0247436 0.5600775), wk = 0.0033223 k( 138) = ( 0.0571429 0.0329914 0.5600775), wk = 0.0033223 k( 139) = ( 0.0714286 0.0412393 0.5600775), wk = 0.0033223 k( 140) = ( 0.0857143 0.0494872 0.5600775), wk = 0.0033223 k( 141) = ( 0.1000000 0.0577350 0.5600775), wk = 0.0033223 k( 142) = ( 0.1142857 0.0659829 0.5600775), wk = 0.0033223 k( 143) = ( 0.1285714 0.0742307 0.5600775), wk = 0.0033223 k( 144) = ( 0.1428571 0.0824786 0.5600775), wk = 0.0033223 k( 145) = ( 0.1571429 0.0907265 0.5600775), wk = 0.0033223 k( 146) = ( 0.1714286 0.0989743 0.5600775), wk = 0.0033223 k( 147) = ( 0.1857143 0.1072222 0.5600775), wk = 0.0033223 k( 148) = ( 0.2000000 0.1154701 0.5600775), wk = 0.0033223 k( 149) = ( 0.2142857 0.1237179 0.5600775), wk = 0.0033223 k( 150) = ( 0.2285714 0.1319658 0.5600775), wk = 0.0033223 k( 151) = ( 0.2428571 0.1402136 0.5600775), wk = 0.0033223 k( 152) = ( 0.2571429 0.1484615 0.5600775), wk = 0.0033223 k( 153) = ( 0.2714286 0.1567094 0.5600775), wk = 0.0033223 k( 154) = ( 0.2857143 0.1649572 0.5600775), wk = 0.0033223 k( 155) = ( 0.3000000 0.1732051 0.5600775), wk = 0.0033223 k( 156) = ( 0.3142857 0.1814529 0.5600775), wk = 0.0033223 k( 157) = ( 0.3285714 0.1897008 0.5600775), wk = 0.0033223 k( 158) = ( 0.3428571 0.1979487 0.5600775), wk = 0.0033223 k( 159) = ( 0.3571429 0.2061965 0.5600775), wk = 0.0033223 k( 160) = ( 0.3714286 0.2144444 0.5600775), wk = 0.0033223 k( 161) = ( 0.3857143 0.2226922 0.5600775), wk = 0.0033223 k( 162) = ( 0.4000000 0.2309401 0.5600775), wk = 0.0033223 k( 163) = ( 0.4142857 0.2391880 0.5600775), wk = 0.0033223 k( 164) = ( 0.4285714 0.2474358 0.5600775), wk = 0.0033223 k( 165) = ( 0.4428571 0.2556837 0.5600775), wk = 0.0033223 k( 166) = ( 0.4571429 0.2639316 0.5600775), wk = 0.0033223 k( 167) = ( 0.4714286 0.2721794 0.5600775), wk = 0.0033223 k( 168) = ( 0.4857143 0.2804273 0.5600775), wk = 0.0033223 k( 169) = ( 0.5000000 0.2886751 0.5600775), wk = 0.0033223 k( 170) = ( 0.5000000 0.2886751 0.5600775), wk = 0.0033223 k( 171) = ( 0.4916667 0.3031089 0.5600775), wk = 0.0033223 k( 172) = ( 0.4833333 0.3175426 0.5600775), wk = 0.0033223 k( 173) = ( 0.4750000 0.3319764 0.5600775), wk = 0.0033223 k( 174) = ( 0.4666667 0.3464102 0.5600775), wk = 0.0033223 k( 175) = ( 0.4583333 0.3608439 0.5600775), wk = 0.0033223 k( 176) = ( 0.4500000 0.3752777 0.5600775), wk = 0.0033223 k( 177) = ( 0.4416667 0.3897114 0.5600775), wk = 0.0033223 k( 178) = ( 0.4333333 0.4041452 0.5600775), wk = 0.0033223 k( 179) = ( 0.4250000 0.4185789 0.5600775), wk = 0.0033223 k( 180) = ( 0.4166667 0.4330127 0.5600775), wk = 0.0033223 k( 181) = ( 0.4083333 0.4474465 0.5600775), wk = 0.0033223 k( 182) = ( 0.4000000 0.4618802 0.5600775), wk = 0.0033223 k( 183) = ( 0.3916667 0.4763140 0.5600775), wk = 0.0033223 k( 184) = ( 0.3833333 0.4907477 0.5600775), wk = 0.0033223 k( 185) = ( 0.3750000 0.5051815 0.5600775), wk = 0.0033223 k( 186) = ( 0.3666667 0.5196152 0.5600775), wk = 0.0033223 k( 187) = ( 0.3583333 0.5340490 0.5600775), wk = 0.0033223 k( 188) = ( 0.3500000 0.5484828 0.5600775), wk = 0.0033223 k( 189) = ( 0.3416667 0.5629165 0.5600775), wk = 0.0033223 k( 190) = ( 0.3333333 0.5773503 0.5600775), wk = 0.0033223 k( 191) = ( 0.3333333 0.5773503 0.5600775), wk = 0.0033223 k( 192) = ( 0.3250000 0.5629165 0.5600775), wk = 0.0033223 k( 193) = ( 0.3166667 0.5484828 0.5600775), wk = 0.0033223 k( 194) = ( 0.3083333 0.5340490 0.5600775), wk = 0.0033223 k( 195) = ( 0.3000000 0.5196152 0.5600775), wk = 0.0033223 k( 196) = ( 0.2916667 0.5051815 0.5600775), wk = 0.0033223 k( 197) = ( 0.2833333 0.4907477 0.5600775), wk = 0.0033223 k( 198) = ( 0.2750000 0.4763140 0.5600775), wk = 0.0033223 k( 199) = ( 0.2666667 0.4618802 0.5600775), wk = 0.0033223 k( 200) = ( 0.2583333 0.4474465 0.5600775), wk = 0.0033223 k( 201) = ( 0.2500000 0.4330127 0.5600775), wk = 0.0033223 k( 202) = ( 0.2416667 0.4185790 0.5600775), wk = 0.0033223 k( 203) = ( 0.2333333 0.4041452 0.5600775), wk = 0.0033223 k( 204) = ( 0.2250000 0.3897114 0.5600775), wk = 0.0033223 k( 205) = ( 0.2166667 0.3752777 0.5600775), wk = 0.0033223 k( 206) = ( 0.2083333 0.3608439 0.5600775), wk = 0.0033223 k( 207) = ( 0.2000000 0.3464102 0.5600775), wk = 0.0033223 k( 208) = ( 0.1916667 0.3319764 0.5600775), wk = 0.0033223 k( 209) = ( 0.1833333 0.3175426 0.5600775), wk = 0.0033223 k( 210) = ( 0.1750000 0.3031089 0.5600775), wk = 0.0033223 k( 211) = ( 0.1666667 0.2886751 0.5600775), wk = 0.0033223 k( 212) = ( 0.1583333 0.2742414 0.5600775), wk = 0.0033223 k( 213) = ( 0.1500000 0.2598076 0.5600775), wk = 0.0033223 k( 214) = ( 0.1416667 0.2453739 0.5600775), wk = 0.0033223 k( 215) = ( 0.1333333 0.2309401 0.5600775), wk = 0.0033223 k( 216) = ( 0.1250000 0.2165064 0.5600775), wk = 0.0033223 k( 217) = ( 0.1166667 0.2020726 0.5600775), wk = 0.0033223 k( 218) = ( 0.1083333 0.1876388 0.5600775), wk = 0.0033223 k( 219) = ( 0.1000000 0.1732051 0.5600775), wk = 0.0033223 k( 220) = ( 0.0916667 0.1587713 0.5600775), wk = 0.0033223 k( 221) = ( 0.0833333 0.1443376 0.5600775), wk = 0.0033223 k( 222) = ( 0.0750000 0.1299038 0.5600775), wk = 0.0033223 k( 223) = ( 0.0666667 0.1154701 0.5600775), wk = 0.0033223 k( 224) = ( 0.0583333 0.1010363 0.5600775), wk = 0.0033223 k( 225) = ( 0.0500000 0.0866025 0.5600775), wk = 0.0033223 k( 226) = ( 0.0416667 0.0721688 0.5600775), wk = 0.0033223 k( 227) = ( 0.0333333 0.0577350 0.5600775), wk = 0.0033223 k( 228) = ( 0.0250000 0.0433013 0.5600775), wk = 0.0033223 k( 229) = ( 0.0166667 0.0288675 0.5600775), wk = 0.0033223 k( 230) = ( 0.0083333 0.0144338 0.5600775), wk = 0.0033223 k( 231) = ( 0.0000000 0.0000000 0.5600775), wk = 0.0033223 k( 232) = ( 0.5000000 0.2886751 0.5600775), wk = 0.0033223 k( 233) = ( 0.5000000 0.2886751 0.5436047), wk = 0.0033223 k( 234) = ( 0.5000000 0.2886751 0.5271318), wk = 0.0033223 k( 235) = ( 0.5000000 0.2886751 0.5106589), wk = 0.0033223 k( 236) = ( 0.5000000 0.2886751 0.4941860), wk = 0.0033223 k( 237) = ( 0.5000000 0.2886751 0.4777132), wk = 0.0033223 k( 238) = ( 0.5000000 0.2886751 0.4612403), wk = 0.0033223 k( 239) = ( 0.5000000 0.2886751 0.4447674), wk = 0.0033223 k( 240) = ( 0.5000000 0.2886751 0.4282946), wk = 0.0033223 k( 241) = ( 0.5000000 0.2886751 0.4118217), wk = 0.0033223 k( 242) = ( 0.5000000 0.2886751 0.3953488), wk = 0.0033223 k( 243) = ( 0.5000000 0.2886751 0.3788760), wk = 0.0033223 k( 244) = ( 0.5000000 0.2886751 0.3624031), wk = 0.0033223 k( 245) = ( 0.5000000 0.2886751 0.3459302), wk = 0.0033223 k( 246) = ( 0.5000000 0.2886751 0.3294574), wk = 0.0033223 k( 247) = ( 0.5000000 0.2886751 0.3129845), wk = 0.0033223 k( 248) = ( 0.5000000 0.2886751 0.2965116), wk = 0.0033223 k( 249) = ( 0.5000000 0.2886751 0.2800388), wk = 0.0033223 k( 250) = ( 0.5000000 0.2886751 0.2635659), wk = 0.0033223 k( 251) = ( 0.5000000 0.2886751 0.2470930), wk = 0.0033223 k( 252) = ( 0.5000000 0.2886751 0.2306202), wk = 0.0033223 k( 253) = ( 0.5000000 0.2886751 0.2141473), wk = 0.0033223 k( 254) = ( 0.5000000 0.2886751 0.1976744), wk = 0.0033223 k( 255) = ( 0.5000000 0.2886751 0.1812016), wk = 0.0033223 k( 256) = ( 0.5000000 0.2886751 0.1647287), wk = 0.0033223 k( 257) = ( 0.5000000 0.2886751 0.1482558), wk = 0.0033223 k( 258) = ( 0.5000000 0.2886751 0.1317829), wk = 0.0033223 k( 259) = ( 0.5000000 0.2886751 0.1153101), wk = 0.0033223 k( 260) = ( 0.5000000 0.2886751 0.0988372), wk = 0.0033223 k( 261) = ( 0.5000000 0.2886751 0.0823643), wk = 0.0033223 k( 262) = ( 0.5000000 0.2886751 0.0658915), wk = 0.0033223 k( 263) = ( 0.5000000 0.2886751 0.0494186), wk = 0.0033223 k( 264) = ( 0.5000000 0.2886751 0.0329457), wk = 0.0033223 k( 265) = ( 0.5000000 0.2886751 0.0164729), wk = 0.0033223 k( 266) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033223 k( 267) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033223 k( 268) = ( 0.3333333 0.5773503 0.0164729), wk = 0.0033223 k( 269) = ( 0.3333333 0.5773503 0.0329457), wk = 0.0033223 k( 270) = ( 0.3333333 0.5773503 0.0494186), wk = 0.0033223 k( 271) = ( 0.3333333 0.5773503 0.0658915), wk = 0.0033223 k( 272) = ( 0.3333333 0.5773503 0.0823643), wk = 0.0033223 k( 273) = ( 0.3333333 0.5773503 0.0988372), wk = 0.0033223 k( 274) = ( 0.3333333 0.5773503 0.1153101), wk = 0.0033223 k( 275) = ( 0.3333333 0.5773503 0.1317829), wk = 0.0033223 k( 276) = ( 0.3333333 0.5773503 0.1482558), wk = 0.0033223 k( 277) = ( 0.3333333 0.5773503 0.1647287), wk = 0.0033223 k( 278) = ( 0.3333333 0.5773503 0.1812016), wk = 0.0033223 k( 279) = ( 0.3333333 0.5773503 0.1976744), wk = 0.0033223 k( 280) = ( 0.3333333 0.5773503 0.2141473), wk = 0.0033223 k( 281) = ( 0.3333333 0.5773503 0.2306202), wk = 0.0033223 k( 282) = ( 0.3333333 0.5773503 0.2470930), wk = 0.0033223 k( 283) = ( 0.3333333 0.5773503 0.2635659), wk = 0.0033223 k( 284) = ( 0.3333333 0.5773503 0.2800388), wk = 0.0033223 k( 285) = ( 0.3333333 0.5773503 0.2965116), wk = 0.0033223 k( 286) = ( 0.3333333 0.5773503 0.3129845), wk = 0.0033223 k( 287) = ( 0.3333333 0.5773503 0.3294574), wk = 0.0033223 k( 288) = ( 0.3333333 0.5773503 0.3459302), wk = 0.0033223 k( 289) = ( 0.3333333 0.5773503 0.3624031), wk = 0.0033223 k( 290) = ( 0.3333333 0.5773503 0.3788760), wk = 0.0033223 k( 291) = ( 0.3333333 0.5773503 0.3953488), wk = 0.0033223 k( 292) = ( 0.3333333 0.5773503 0.4118217), wk = 0.0033223 k( 293) = ( 0.3333333 0.5773503 0.4282946), wk = 0.0033223 k( 294) = ( 0.3333333 0.5773503 0.4447674), wk = 0.0033223 k( 295) = ( 0.3333333 0.5773503 0.4612403), wk = 0.0033223 k( 296) = ( 0.3333333 0.5773503 0.4777132), wk = 0.0033223 k( 297) = ( 0.3333333 0.5773503 0.4941860), wk = 0.0033223 k( 298) = ( 0.3333333 0.5773503 0.5106589), wk = 0.0033223 k( 299) = ( 0.3333333 0.5773503 0.5271318), wk = 0.0033223 k( 300) = ( 0.3333333 0.5773503 0.5436047), wk = 0.0033223 k( 301) = ( 0.3333333 0.5773503 0.5600775), wk = 0.0033223 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 k( 2) = ( 0.0142857 -0.0000000 0.0000000), wk = 0.0033223 k( 3) = ( 0.0285714 0.0000000 0.0000000), wk = 0.0033223 k( 4) = ( 0.0428571 0.0000000 0.0000000), wk = 0.0033223 k( 5) = ( 0.0571429 0.0000000 0.0000000), wk = 0.0033223 k( 6) = ( 0.0714286 -0.0000000 0.0000000), wk = 0.0033223 k( 7) = ( 0.0857143 0.0000000 0.0000000), wk = 0.0033223 k( 8) = ( 0.1000000 -0.0000000 -0.0000000), wk = 0.0033223 k( 9) = ( 0.1142857 0.0000000 0.0000000), wk = 0.0033223 k( 10) = ( 0.1285714 -0.0000000 0.0000000), wk = 0.0033223 k( 11) = ( 0.1428571 -0.0000000 0.0000000), wk = 0.0033223 k( 12) = ( 0.1571429 -0.0000000 0.0000000), wk = 0.0033223 k( 13) = ( 0.1714286 0.0000000 0.0000000), wk = 0.0033223 k( 14) = ( 0.1857143 0.0000000 0.0000000), wk = 0.0033223 k( 15) = ( 0.2000000 -0.0000000 -0.0000000), wk = 0.0033223 k( 16) = ( 0.2142857 -0.0000000 0.0000000), wk = 0.0033223 k( 17) = ( 0.2285714 -0.0000000 -0.0000000), wk = 0.0033223 k( 18) = ( 0.2428571 -0.0000000 0.0000000), wk = 0.0033223 k( 19) = ( 0.2571429 -0.0000000 0.0000000), wk = 0.0033223 k( 20) = ( 0.2714286 -0.0000000 0.0000000), wk = 0.0033223 k( 21) = ( 0.2857143 -0.0000000 0.0000000), wk = 0.0033223 k( 22) = ( 0.3000000 -0.0000000 0.0000000), wk = 0.0033223 k( 23) = ( 0.3142857 -0.0000000 0.0000000), wk = 0.0033223 k( 24) = ( 0.3285714 -0.0000000 0.0000000), wk = 0.0033223 k( 25) = ( 0.3428571 0.0000000 0.0000000), wk = 0.0033223 k( 26) = ( 0.3571429 -0.0000000 0.0000000), wk = 0.0033223 k( 27) = ( 0.3714286 -0.0000000 0.0000000), wk = 0.0033223 k( 28) = ( 0.3857143 -0.0000000 0.0000000), wk = 0.0033223 k( 29) = ( 0.4000000 -0.0000000 -0.0000000), wk = 0.0033223 k( 30) = ( 0.4142857 -0.0000000 -0.0000000), wk = 0.0033223 k( 31) = ( 0.4285714 -0.0000000 0.0000000), wk = 0.0033223 k( 32) = ( 0.4428571 -0.0000000 0.0000000), wk = 0.0033223 k( 33) = ( 0.4571429 -0.0000000 -0.0000000), wk = 0.0033223 k( 34) = ( 0.4714286 -0.0000000 0.0000000), wk = 0.0033223 k( 35) = ( 0.4857143 -0.0000000 0.0000000), wk = 0.0033223 k( 36) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0033223 k( 37) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0033223 k( 38) = ( 0.4916667 0.0166667 0.0000000), wk = 0.0033223 k( 39) = ( 0.4833333 0.0333333 0.0000000), wk = 0.0033223 k( 40) = ( 0.4750000 0.0500000 0.0000000), wk = 0.0033223 k( 41) = ( 0.4666667 0.0666667 0.0000000), wk = 0.0033223 k( 42) = ( 0.4583333 0.0833333 0.0000000), wk = 0.0033223 k( 43) = ( 0.4500000 0.1000000 0.0000000), wk = 0.0033223 k( 44) = ( 0.4416667 0.1166667 0.0000000), wk = 0.0033223 k( 45) = ( 0.4333333 0.1333333 0.0000000), wk = 0.0033223 k( 46) = ( 0.4250000 0.1500000 -0.0000000), wk = 0.0033223 k( 47) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0033223 k( 48) = ( 0.4083333 0.1833333 0.0000000), wk = 0.0033223 k( 49) = ( 0.4000000 0.2000000 0.0000000), wk = 0.0033223 k( 50) = ( 0.3916667 0.2166667 0.0000000), wk = 0.0033223 k( 51) = ( 0.3833333 0.2333333 0.0000000), wk = 0.0033223 k( 52) = ( 0.3750000 0.2500000 0.0000000), wk = 0.0033223 k( 53) = ( 0.3666667 0.2666667 -0.0000000), wk = 0.0033223 k( 54) = ( 0.3583333 0.2833333 0.0000000), wk = 0.0033223 k( 55) = ( 0.3500000 0.3000000 0.0000000), wk = 0.0033223 k( 56) = ( 0.3416667 0.3166667 -0.0000000), wk = 0.0033223 k( 57) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0033223 k( 58) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0033223 k( 59) = ( 0.3250000 0.3250000 0.0000000), wk = 0.0033223 k( 60) = ( 0.3166667 0.3166667 0.0000000), wk = 0.0033223 k( 61) = ( 0.3083333 0.3083333 0.0000000), wk = 0.0033223 k( 62) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0033223 k( 63) = ( 0.2916667 0.2916667 0.0000000), wk = 0.0033223 k( 64) = ( 0.2833333 0.2833333 0.0000000), wk = 0.0033223 k( 65) = ( 0.2750000 0.2750000 0.0000000), wk = 0.0033223 k( 66) = ( 0.2666667 0.2666667 0.0000000), wk = 0.0033223 k( 67) = ( 0.2583333 0.2583333 0.0000000), wk = 0.0033223 k( 68) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0033223 k( 69) = ( 0.2416667 0.2416667 0.0000000), wk = 0.0033223 k( 70) = ( 0.2333333 0.2333333 0.0000000), wk = 0.0033223 k( 71) = ( 0.2250000 0.2250000 0.0000000), wk = 0.0033223 k( 72) = ( 0.2166667 0.2166667 0.0000000), wk = 0.0033223 k( 73) = ( 0.2083333 0.2083333 -0.0000000), wk = 0.0033223 k( 74) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0033223 k( 75) = ( 0.1916667 0.1916667 0.0000000), wk = 0.0033223 k( 76) = ( 0.1833333 0.1833333 0.0000000), wk = 0.0033223 k( 77) = ( 0.1750000 0.1750000 0.0000000), wk = 0.0033223 k( 78) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0033223 k( 79) = ( 0.1583333 0.1583333 0.0000000), wk = 0.0033223 k( 80) = ( 0.1500000 0.1500000 0.0000000), wk = 0.0033223 k( 81) = ( 0.1416667 0.1416667 0.0000000), wk = 0.0033223 k( 82) = ( 0.1333333 0.1333333 0.0000000), wk = 0.0033223 k( 83) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0033223 k( 84) = ( 0.1166667 0.1166667 0.0000000), wk = 0.0033223 k( 85) = ( 0.1083333 0.1083333 0.0000000), wk = 0.0033223 k( 86) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0033223 k( 87) = ( 0.0916667 0.0916667 0.0000000), wk = 0.0033223 k( 88) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0033223 k( 89) = ( 0.0750000 0.0750000 0.0000000), wk = 0.0033223 k( 90) = ( 0.0666667 0.0666667 0.0000000), wk = 0.0033223 k( 91) = ( 0.0583333 0.0583333 0.0000000), wk = 0.0033223 k( 92) = ( 0.0500000 0.0500000 -0.0000000), wk = 0.0033223 k( 93) = ( 0.0416667 0.0416667 0.0000000), wk = 0.0033223 k( 94) = ( 0.0333333 0.0333333 0.0000000), wk = 0.0033223 k( 95) = ( 0.0250000 0.0250000 -0.0000000), wk = 0.0033223 k( 96) = ( 0.0166667 0.0166667 0.0000000), wk = 0.0033223 k( 97) = ( 0.0083333 0.0083333 0.0000000), wk = 0.0033223 k( 98) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 k( 99) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 k( 100) = ( 0.0000000 0.0000000 0.0147059), wk = 0.0033223 k( 101) = ( 0.0000000 0.0000000 0.0294118), wk = 0.0033223 k( 102) = ( 0.0000000 0.0000000 0.0441176), wk = 0.0033223 k( 103) = ( 0.0000000 0.0000000 0.0588235), wk = 0.0033223 k( 104) = ( 0.0000000 0.0000000 0.0735294), wk = 0.0033223 k( 105) = ( 0.0000000 0.0000000 0.0882353), wk = 0.0033223 k( 106) = ( 0.0000000 0.0000000 0.1029412), wk = 0.0033223 k( 107) = ( 0.0000000 0.0000000 0.1176471), wk = 0.0033223 k( 108) = ( 0.0000000 0.0000000 0.1323529), wk = 0.0033223 k( 109) = ( 0.0000000 0.0000000 0.1470588), wk = 0.0033223 k( 110) = ( 0.0000000 0.0000000 0.1617647), wk = 0.0033223 k( 111) = ( 0.0000000 0.0000000 0.1764706), wk = 0.0033223 k( 112) = ( 0.0000000 0.0000000 0.1911765), wk = 0.0033223 k( 113) = ( 0.0000000 0.0000000 0.2058823), wk = 0.0033223 k( 114) = ( 0.0000000 0.0000000 0.2205882), wk = 0.0033223 k( 115) = ( 0.0000000 0.0000000 0.2352941), wk = 0.0033223 k( 116) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0033223 k( 117) = ( 0.0000000 0.0000000 0.2647059), wk = 0.0033223 k( 118) = ( 0.0000000 0.0000000 0.2794118), wk = 0.0033223 k( 119) = ( 0.0000000 0.0000000 0.2941177), wk = 0.0033223 k( 120) = ( 0.0000000 0.0000000 0.3088235), wk = 0.0033223 k( 121) = ( 0.0000000 0.0000000 0.3235294), wk = 0.0033223 k( 122) = ( 0.0000000 0.0000000 0.3382353), wk = 0.0033223 k( 123) = ( 0.0000000 0.0000000 0.3529412), wk = 0.0033223 k( 124) = ( 0.0000000 0.0000000 0.3676471), wk = 0.0033223 k( 125) = ( 0.0000000 0.0000000 0.3823529), wk = 0.0033223 k( 126) = ( 0.0000000 0.0000000 0.3970588), wk = 0.0033223 k( 127) = ( 0.0000000 0.0000000 0.4117647), wk = 0.0033223 k( 128) = ( 0.0000000 0.0000000 0.4264706), wk = 0.0033223 k( 129) = ( 0.0000000 0.0000000 0.4411765), wk = 0.0033223 k( 130) = ( 0.0000000 0.0000000 0.4558823), wk = 0.0033223 k( 131) = ( 0.0000000 0.0000000 0.4705882), wk = 0.0033223 k( 132) = ( 0.0000000 0.0000000 0.4852941), wk = 0.0033223 k( 133) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033223 k( 134) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033223 k( 135) = ( 0.0142857 -0.0000000 0.5000000), wk = 0.0033223 k( 136) = ( 0.0285714 0.0000000 0.5000000), wk = 0.0033223 k( 137) = ( 0.0428571 0.0000000 0.5000000), wk = 0.0033223 k( 138) = ( 0.0571429 0.0000000 0.5000000), wk = 0.0033223 k( 139) = ( 0.0714286 -0.0000000 0.5000000), wk = 0.0033223 k( 140) = ( 0.0857143 0.0000000 0.5000000), wk = 0.0033223 k( 141) = ( 0.1000000 -0.0000000 0.5000000), wk = 0.0033223 k( 142) = ( 0.1142857 0.0000000 0.5000000), wk = 0.0033223 k( 143) = ( 0.1285714 -0.0000000 0.5000000), wk = 0.0033223 k( 144) = ( 0.1428571 -0.0000000 0.5000000), wk = 0.0033223 k( 145) = ( 0.1571429 -0.0000000 0.5000000), wk = 0.0033223 k( 146) = ( 0.1714286 0.0000000 0.5000000), wk = 0.0033223 k( 147) = ( 0.1857143 0.0000000 0.5000000), wk = 0.0033223 k( 148) = ( 0.2000000 -0.0000000 0.5000000), wk = 0.0033223 k( 149) = ( 0.2142857 -0.0000000 0.5000000), wk = 0.0033223 k( 150) = ( 0.2285714 -0.0000000 0.5000000), wk = 0.0033223 k( 151) = ( 0.2428571 -0.0000000 0.5000000), wk = 0.0033223 k( 152) = ( 0.2571429 -0.0000000 0.5000000), wk = 0.0033223 k( 153) = ( 0.2714286 -0.0000000 0.5000000), wk = 0.0033223 k( 154) = ( 0.2857143 -0.0000000 0.5000000), wk = 0.0033223 k( 155) = ( 0.3000000 -0.0000000 0.5000000), wk = 0.0033223 k( 156) = ( 0.3142857 -0.0000000 0.5000000), wk = 0.0033223 k( 157) = ( 0.3285714 -0.0000000 0.5000000), wk = 0.0033223 k( 158) = ( 0.3428571 0.0000000 0.5000000), wk = 0.0033223 k( 159) = ( 0.3571429 -0.0000000 0.5000000), wk = 0.0033223 k( 160) = ( 0.3714286 -0.0000000 0.5000000), wk = 0.0033223 k( 161) = ( 0.3857143 -0.0000000 0.5000000), wk = 0.0033223 k( 162) = ( 0.4000000 -0.0000000 0.5000000), wk = 0.0033223 k( 163) = ( 0.4142857 -0.0000000 0.5000000), wk = 0.0033223 k( 164) = ( 0.4285714 -0.0000000 0.5000000), wk = 0.0033223 k( 165) = ( 0.4428571 -0.0000000 0.5000000), wk = 0.0033223 k( 166) = ( 0.4571429 -0.0000000 0.5000000), wk = 0.0033223 k( 167) = ( 0.4714286 -0.0000000 0.5000000), wk = 0.0033223 k( 168) = ( 0.4857143 -0.0000000 0.5000000), wk = 0.0033223 k( 169) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033223 k( 170) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033223 k( 171) = ( 0.4916667 0.0166667 0.5000000), wk = 0.0033223 k( 172) = ( 0.4833333 0.0333333 0.5000000), wk = 0.0033223 k( 173) = ( 0.4750000 0.0500000 0.5000000), wk = 0.0033223 k( 174) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0033223 k( 175) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0033223 k( 176) = ( 0.4500000 0.1000000 0.5000000), wk = 0.0033223 k( 177) = ( 0.4416667 0.1166667 0.5000000), wk = 0.0033223 k( 178) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0033223 k( 179) = ( 0.4250000 0.1500000 0.5000000), wk = 0.0033223 k( 180) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0033223 k( 181) = ( 0.4083333 0.1833333 0.5000000), wk = 0.0033223 k( 182) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0033223 k( 183) = ( 0.3916667 0.2166667 0.5000000), wk = 0.0033223 k( 184) = ( 0.3833333 0.2333333 0.5000000), wk = 0.0033223 k( 185) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0033223 k( 186) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0033223 k( 187) = ( 0.3583333 0.2833333 0.5000000), wk = 0.0033223 k( 188) = ( 0.3500000 0.3000000 0.5000000), wk = 0.0033223 k( 189) = ( 0.3416667 0.3166667 0.5000000), wk = 0.0033223 k( 190) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033223 k( 191) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033223 k( 192) = ( 0.3250000 0.3250000 0.5000000), wk = 0.0033223 k( 193) = ( 0.3166667 0.3166667 0.5000000), wk = 0.0033223 k( 194) = ( 0.3083333 0.3083333 0.5000000), wk = 0.0033223 k( 195) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0033223 k( 196) = ( 0.2916667 0.2916667 0.5000000), wk = 0.0033223 k( 197) = ( 0.2833333 0.2833333 0.5000000), wk = 0.0033223 k( 198) = ( 0.2750000 0.2750000 0.5000000), wk = 0.0033223 k( 199) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0033223 k( 200) = ( 0.2583333 0.2583333 0.5000000), wk = 0.0033223 k( 201) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0033223 k( 202) = ( 0.2416667 0.2416667 0.5000000), wk = 0.0033223 k( 203) = ( 0.2333333 0.2333333 0.5000000), wk = 0.0033223 k( 204) = ( 0.2250000 0.2250000 0.5000000), wk = 0.0033223 k( 205) = ( 0.2166667 0.2166667 0.5000000), wk = 0.0033223 k( 206) = ( 0.2083333 0.2083333 0.5000000), wk = 0.0033223 k( 207) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0033223 k( 208) = ( 0.1916667 0.1916667 0.5000000), wk = 0.0033223 k( 209) = ( 0.1833333 0.1833333 0.5000000), wk = 0.0033223 k( 210) = ( 0.1750000 0.1750000 0.5000000), wk = 0.0033223 k( 211) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0033223 k( 212) = ( 0.1583333 0.1583333 0.5000000), wk = 0.0033223 k( 213) = ( 0.1500000 0.1500000 0.5000000), wk = 0.0033223 k( 214) = ( 0.1416667 0.1416667 0.5000000), wk = 0.0033223 k( 215) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0033223 k( 216) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0033223 k( 217) = ( 0.1166667 0.1166667 0.5000000), wk = 0.0033223 k( 218) = ( 0.1083333 0.1083333 0.5000000), wk = 0.0033223 k( 219) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0033223 k( 220) = ( 0.0916667 0.0916667 0.5000000), wk = 0.0033223 k( 221) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0033223 k( 222) = ( 0.0750000 0.0750000 0.5000000), wk = 0.0033223 k( 223) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0033223 k( 224) = ( 0.0583333 0.0583333 0.5000000), wk = 0.0033223 k( 225) = ( 0.0500000 0.0500000 0.5000000), wk = 0.0033223 k( 226) = ( 0.0416667 0.0416667 0.5000000), wk = 0.0033223 k( 227) = ( 0.0333333 0.0333333 0.5000000), wk = 0.0033223 k( 228) = ( 0.0250000 0.0250000 0.5000000), wk = 0.0033223 k( 229) = ( 0.0166667 0.0166667 0.5000000), wk = 0.0033223 k( 230) = ( 0.0083333 0.0083333 0.5000000), wk = 0.0033223 k( 231) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033223 k( 232) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033223 k( 233) = ( 0.5000000 0.0000000 0.4852941), wk = 0.0033223 k( 234) = ( 0.5000000 0.0000000 0.4705882), wk = 0.0033223 k( 235) = ( 0.5000000 0.0000000 0.4558823), wk = 0.0033223 k( 236) = ( 0.5000000 0.0000000 0.4411765), wk = 0.0033223 k( 237) = ( 0.5000000 0.0000000 0.4264706), wk = 0.0033223 k( 238) = ( 0.5000000 0.0000000 0.4117647), wk = 0.0033223 k( 239) = ( 0.5000000 0.0000000 0.3970588), wk = 0.0033223 k( 240) = ( 0.5000000 0.0000000 0.3823529), wk = 0.0033223 k( 241) = ( 0.5000000 0.0000000 0.3676471), wk = 0.0033223 k( 242) = ( 0.5000000 0.0000000 0.3529412), wk = 0.0033223 k( 243) = ( 0.5000000 0.0000000 0.3382353), wk = 0.0033223 k( 244) = ( 0.5000000 0.0000000 0.3235294), wk = 0.0033223 k( 245) = ( 0.5000000 0.0000000 0.3088235), wk = 0.0033223 k( 246) = ( 0.5000000 0.0000000 0.2941177), wk = 0.0033223 k( 247) = ( 0.5000000 0.0000000 0.2794118), wk = 0.0033223 k( 248) = ( 0.5000000 0.0000000 0.2647059), wk = 0.0033223 k( 249) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0033223 k( 250) = ( 0.5000000 0.0000000 0.2352941), wk = 0.0033223 k( 251) = ( 0.5000000 0.0000000 0.2205882), wk = 0.0033223 k( 252) = ( 0.5000000 0.0000000 0.2058823), wk = 0.0033223 k( 253) = ( 0.5000000 0.0000000 0.1911765), wk = 0.0033223 k( 254) = ( 0.5000000 0.0000000 0.1764706), wk = 0.0033223 k( 255) = ( 0.5000000 0.0000000 0.1617647), wk = 0.0033223 k( 256) = ( 0.5000000 0.0000000 0.1470588), wk = 0.0033223 k( 257) = ( 0.5000000 0.0000000 0.1323529), wk = 0.0033223 k( 258) = ( 0.5000000 0.0000000 0.1176471), wk = 0.0033223 k( 259) = ( 0.5000000 0.0000000 0.1029412), wk = 0.0033223 k( 260) = ( 0.5000000 0.0000000 0.0882353), wk = 0.0033223 k( 261) = ( 0.5000000 0.0000000 0.0735294), wk = 0.0033223 k( 262) = ( 0.5000000 0.0000000 0.0588235), wk = 0.0033223 k( 263) = ( 0.5000000 0.0000000 0.0441177), wk = 0.0033223 k( 264) = ( 0.5000000 0.0000000 0.0294118), wk = 0.0033223 k( 265) = ( 0.5000000 0.0000000 0.0147059), wk = 0.0033223 k( 266) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0033223 k( 267) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0033223 k( 268) = ( 0.3333333 0.3333333 0.0147059), wk = 0.0033223 k( 269) = ( 0.3333333 0.3333333 0.0294118), wk = 0.0033223 k( 270) = ( 0.3333333 0.3333333 0.0441177), wk = 0.0033223 k( 271) = ( 0.3333333 0.3333333 0.0588235), wk = 0.0033223 k( 272) = ( 0.3333333 0.3333333 0.0735294), wk = 0.0033223 k( 273) = ( 0.3333333 0.3333333 0.0882353), wk = 0.0033223 k( 274) = ( 0.3333333 0.3333333 0.1029412), wk = 0.0033223 k( 275) = ( 0.3333333 0.3333333 0.1176471), wk = 0.0033223 k( 276) = ( 0.3333333 0.3333333 0.1323529), wk = 0.0033223 k( 277) = ( 0.3333333 0.3333333 0.1470588), wk = 0.0033223 k( 278) = ( 0.3333333 0.3333333 0.1617647), wk = 0.0033223 k( 279) = ( 0.3333333 0.3333333 0.1764706), wk = 0.0033223 k( 280) = ( 0.3333333 0.3333333 0.1911765), wk = 0.0033223 k( 281) = ( 0.3333333 0.3333333 0.2058823), wk = 0.0033223 k( 282) = ( 0.3333333 0.3333333 0.2205882), wk = 0.0033223 k( 283) = ( 0.3333333 0.3333333 0.2352941), wk = 0.0033223 k( 284) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0033223 k( 285) = ( 0.3333333 0.3333333 0.2647059), wk = 0.0033223 k( 286) = ( 0.3333333 0.3333333 0.2794118), wk = 0.0033223 k( 287) = ( 0.3333333 0.3333333 0.2941177), wk = 0.0033223 k( 288) = ( 0.3333333 0.3333333 0.3088235), wk = 0.0033223 k( 289) = ( 0.3333333 0.3333333 0.3235294), wk = 0.0033223 k( 290) = ( 0.3333333 0.3333333 0.3382353), wk = 0.0033223 k( 291) = ( 0.3333333 0.3333333 0.3529412), wk = 0.0033223 k( 292) = ( 0.3333333 0.3333333 0.3676471), wk = 0.0033223 k( 293) = ( 0.3333333 0.3333333 0.3823529), wk = 0.0033223 k( 294) = ( 0.3333333 0.3333333 0.3970588), wk = 0.0033223 k( 295) = ( 0.3333333 0.3333333 0.4117647), wk = 0.0033223 k( 296) = ( 0.3333333 0.3333333 0.4264706), wk = 0.0033223 k( 297) = ( 0.3333333 0.3333333 0.4411765), wk = 0.0033223 k( 298) = ( 0.3333333 0.3333333 0.4558823), wk = 0.0033223 k( 299) = ( 0.3333333 0.3333333 0.4705882), wk = 0.0033223 k( 300) = ( 0.3333333 0.3333333 0.4852941), wk = 0.0033223 k( 301) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033223 Dense grid: 75951 G-vectors FFT dimensions: ( 60, 60, 54) Smooth grid: 36171 G-vectors FFT dimensions: ( 45, 45, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.23 Mb ( 260, 58) NL pseudopotentials 0.27 Mb ( 130, 138) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 2107) G-vector shells 0.01 Mb ( 928) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.92 Mb ( 260, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.24 Mb ( 138, 2, 58) Check: negative/imaginary core charge= -0.000005 0.000000 The potential is recalculated from file : ./KSrCO3F.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.2 secs Computing kpt #: 2 total cpu time spent up to now is 5.0 secs Computing kpt #: 3 total cpu time spent up to now is 5.9 secs Computing kpt #: 4 total cpu time spent up to now is 6.8 secs Computing kpt #: 5 total cpu time spent up to now is 7.6 secs Computing kpt #: 6 total cpu time spent up to now is 8.4 secs Computing kpt #: 7 total cpu time spent up to now is 9.3 secs Computing kpt #: 8 total cpu time spent up to now is 10.1 secs Computing kpt #: 9 total cpu time spent up to now is 10.9 secs Computing kpt #: 10 total cpu time spent up to now is 11.9 secs Computing kpt #: 11 total cpu time spent up to now is 12.7 secs Computing kpt #: 12 total cpu time spent up to now is 13.5 secs Computing kpt #: 13 total cpu time spent up to now is 14.3 secs Computing kpt #: 14 total cpu time spent up to now is 15.2 secs Computing kpt #: 15 total cpu time spent up to now is 16.0 secs Computing kpt #: 16 total cpu time spent up to now is 16.8 secs Computing kpt #: 17 total cpu time spent up to now is 17.5 secs Computing kpt #: 18 total cpu time spent up to now is 18.3 secs Computing kpt #: 19 total cpu time spent up to now is 19.0 secs Computing kpt #: 20 total cpu time spent up to now is 19.7 secs Computing kpt #: 21 total cpu time spent up to now is 20.6 secs Computing kpt #: 22 total cpu time spent up to now is 21.4 secs Computing kpt #: 23 total cpu time spent up to now is 22.2 secs Computing kpt #: 24 total cpu time spent up to now is 23.1 secs Computing kpt #: 25 total cpu time spent up to now is 24.0 secs Computing kpt #: 26 total cpu time spent up to now is 24.9 secs Computing kpt #: 27 total cpu time spent up to now is 25.8 secs Computing kpt #: 28 total cpu time spent up to now is 26.8 secs Computing kpt #: 29 total cpu time spent up to now is 27.7 secs Computing kpt #: 30 total cpu time spent up to now is 28.6 secs Computing kpt #: 31 total cpu time spent up to now is 29.6 secs Computing kpt #: 32 total cpu time spent up to now is 30.9 secs Computing kpt #: 33 total cpu time spent up to now is 31.9 secs Computing kpt #: 34 total cpu time spent up to now is 32.8 secs Computing kpt #: 35 total cpu time spent up to now is 33.6 secs Computing kpt #: 36 total cpu time spent up to now is 34.4 secs Computing kpt #: 37 total cpu time spent up to now is 35.3 secs Computing kpt #: 38 total cpu time spent up to now is 36.0 secs Computing kpt #: 39 total cpu time spent up to now is 36.8 secs Computing kpt #: 40 total cpu time spent up to now is 37.6 secs Computing kpt #: 41 total cpu time spent up to now is 38.3 secs Computing kpt #: 42 total cpu time spent up to now is 39.0 secs Computing kpt #: 43 total cpu time spent up to now is 39.8 secs Computing kpt #: 44 total cpu time spent up to now is 40.5 secs Computing kpt #: 45 total cpu time spent up to now is 41.3 secs Computing kpt #: 46 total cpu time spent up to now is 42.1 secs Computing kpt #: 47 total cpu time spent up to now is 42.8 secs Computing kpt #: 48 total cpu time spent up to now is 43.7 secs Computing kpt #: 49 total cpu time spent up to now is 44.6 secs Computing kpt #: 50 total cpu time spent up to now is 45.5 secs Computing kpt #: 51 total cpu time spent up to now is 46.4 secs Computing kpt #: 52 total cpu time spent up to now is 47.2 secs Computing kpt #: 53 total cpu time spent up to now is 48.1 secs Computing kpt #: 54 total cpu time spent up to now is 48.9 secs Computing kpt #: 55 total cpu time spent up to now is 49.8 secs Computing kpt #: 56 total cpu time spent up to now is 50.9 secs Computing kpt #: 57 total cpu time spent up to now is 52.0 secs Computing kpt #: 58 total cpu time spent up to now is 52.9 secs Computing kpt #: 59 total cpu time spent up to now is 53.9 secs Computing kpt #: 60 total cpu time spent up to now is 54.7 secs Computing kpt #: 61 total cpu time spent up to now is 55.6 secs Computing kpt #: 62 total cpu time spent up to now is 56.5 secs Computing kpt #: 63 total cpu time spent up to now is 57.3 secs Computing kpt #: 64 total cpu time spent up to now is 58.2 secs Computing kpt #: 65 total cpu time spent up to now is 59.1 secs Computing kpt #: 66 total cpu time spent up to now is 59.9 secs Computing kpt #: 67 total cpu time spent up to now is 60.8 secs Computing kpt #: 68 total cpu time spent up to now is 61.6 secs Computing kpt #: 69 total cpu time spent up to now is 62.5 secs Computing kpt #: 70 total cpu time spent up to now is 63.4 secs Computing kpt #: 71 total cpu time spent up to now is 64.2 secs Computing kpt #: 72 total cpu time spent up to now is 65.1 secs Computing kpt #: 73 total cpu time spent up to now is 66.0 secs Computing kpt #: 74 total cpu time spent up to now is 66.8 secs Computing kpt #: 75 total cpu time spent up to now is 67.7 secs Computing kpt #: 76 total cpu time spent up to now is 68.5 secs Computing kpt #: 77 total cpu time spent up to now is 69.4 secs Computing kpt #: 78 total cpu time spent up to now is 70.2 secs Computing kpt #: 79 total cpu time spent up to now is 71.0 secs Computing kpt #: 80 total cpu time spent up to now is 71.9 secs Computing kpt #: 81 total cpu time spent up to now is 72.6 secs Computing kpt #: 82 total cpu time spent up to now is 73.5 secs Computing kpt #: 83 total cpu time spent up to now is 74.4 secs Computing kpt #: 84 total cpu time spent up to now is 75.3 secs Computing kpt #: 85 total cpu time spent up to now is 76.1 secs Computing kpt #: 86 total cpu time spent up to now is 77.0 secs Computing kpt #: 87 total cpu time spent up to now is 77.8 secs Computing kpt #: 88 total cpu time spent up to now is 78.7 secs Computing kpt #: 89 total cpu time spent up to now is 79.4 secs Computing kpt #: 90 total cpu time spent up to now is 80.3 secs Computing kpt #: 91 total cpu time spent up to now is 81.2 secs Computing kpt #: 92 total cpu time spent up to now is 82.0 secs Computing kpt #: 93 total cpu time spent up to now is 82.9 secs Computing kpt #: 94 total cpu time spent up to now is 83.7 secs Computing kpt #: 95 total cpu time spent up to now is 84.5 secs Computing kpt #: 96 total cpu time spent up to now is 85.4 secs Computing kpt #: 97 total cpu time spent up to now is 86.2 secs Computing kpt #: 98 total cpu time spent up to now is 87.1 secs Computing kpt #: 99 total cpu time spent up to now is 88.0 secs Computing kpt #: 100 total cpu time spent up to now is 88.8 secs Computing kpt #: 101 total cpu time spent up to now is 89.6 secs Computing kpt #: 102 total cpu time spent up to now is 90.5 secs Computing kpt #: 103 total cpu time spent up to now is 91.3 secs Computing kpt #: 104 total cpu time spent up to now is 92.2 secs Computing kpt #: 105 total cpu time spent up to now is 93.0 secs Computing kpt #: 106 total cpu time spent up to now is 93.8 secs Computing kpt #: 107 total cpu time spent up to now is 94.7 secs Computing kpt #: 108 total cpu time spent up to now is 95.6 secs Computing kpt #: 109 total cpu time spent up to now is 96.4 secs Computing kpt #: 110 total cpu time spent up to now is 97.3 secs Computing kpt #: 111 total cpu time spent up to now is 98.2 secs Computing kpt #: 112 total cpu time spent up to now is 99.0 secs Computing kpt #: 113 total cpu time spent up to now is 99.8 secs Computing kpt #: 114 total cpu time spent up to now is 100.6 secs Computing kpt #: 115 total cpu time spent up to now is 101.4 secs Computing kpt #: 116 total cpu time spent up to now is 102.2 secs Computing kpt #: 117 total cpu time spent up to now is 103.1 secs Computing kpt #: 118 total cpu time spent up to now is 104.0 secs Computing kpt #: 119 total cpu time spent up to now is 104.8 secs Computing kpt #: 120 total cpu time spent up to now is 105.7 secs Computing kpt #: 121 total cpu time spent up to now is 106.5 secs Computing kpt #: 122 total cpu time spent up to now is 107.4 secs Computing kpt #: 123 total cpu time spent up to now is 108.2 secs Computing kpt #: 124 total cpu time spent up to now is 109.0 secs Computing kpt #: 125 total cpu time spent up to now is 109.9 secs Computing kpt #: 126 total cpu time spent up to now is 110.7 secs Computing kpt #: 127 total cpu time spent up to now is 111.6 secs Computing kpt #: 128 total cpu time spent up to now is 112.4 secs Computing kpt #: 129 total cpu time spent up to now is 113.2 secs Computing kpt #: 130 total cpu time spent up to now is 113.9 secs Computing kpt #: 131 total cpu time spent up to now is 114.6 secs Computing kpt #: 132 total cpu time spent up to now is 115.2 secs Computing kpt #: 133 total cpu time spent up to now is 115.9 secs Computing kpt #: 134 total cpu time spent up to now is 116.6 secs Computing kpt #: 135 total cpu time spent up to now is 117.3 secs Computing kpt #: 136 total cpu time spent up to now is 118.1 secs Computing kpt #: 137 total cpu time spent up to now is 118.9 secs Computing kpt #: 138 total cpu time spent up to now is 119.7 secs Computing kpt #: 139 total cpu time spent up to now is 120.5 secs Computing kpt #: 140 total cpu time spent up to now is 121.3 secs Computing kpt #: 141 total cpu time spent up to now is 122.1 secs Computing kpt #: 142 total cpu time spent up to now is 122.9 secs Computing kpt #: 143 total cpu time spent up to now is 123.7 secs Computing kpt #: 144 total cpu time spent up to now is 124.5 secs Computing kpt #: 145 total cpu time spent up to now is 125.2 secs Computing kpt #: 146 total cpu time spent up to now is 126.0 secs Computing kpt #: 147 total cpu time spent up to now is 126.7 secs Computing kpt #: 148 total cpu time spent up to now is 127.7 secs Computing kpt #: 149 total cpu time spent up to now is 128.7 secs Computing kpt #: 150 total cpu time spent up to now is 129.5 secs Computing kpt #: 151 total cpu time spent up to now is 130.2 secs Computing kpt #: 152 total cpu time spent up to now is 131.0 secs Computing kpt #: 153 total cpu time spent up to now is 131.7 secs Computing kpt #: 154 total cpu time spent up to now is 132.5 secs Computing kpt #: 155 total cpu time spent up to now is 133.2 secs Computing kpt #: 156 total cpu time spent up to now is 134.0 secs Computing kpt #: 157 total cpu time spent up to now is 134.8 secs Computing kpt #: 158 total cpu time spent up to now is 135.5 secs Computing kpt #: 159 total cpu time spent up to now is 136.3 secs Computing kpt #: 160 total cpu time spent up to now is 137.0 secs Computing kpt #: 161 total cpu time spent up to now is 137.8 secs Computing kpt #: 162 total cpu time spent up to now is 138.5 secs Computing kpt #: 163 total cpu time spent up to now is 139.2 secs Computing kpt #: 164 total cpu time spent up to now is 139.9 secs Computing kpt #: 165 total cpu time spent up to now is 140.7 secs Computing kpt #: 166 total cpu time spent up to now is 141.4 secs Computing kpt #: 167 total cpu time spent up to now is 142.2 secs Computing kpt #: 168 total cpu time spent up to now is 142.9 secs Computing kpt #: 169 total cpu time spent up to now is 143.6 secs Computing kpt #: 170 total cpu time spent up to now is 144.4 secs Computing kpt #: 171 total cpu time spent up to now is 145.1 secs Computing kpt #: 172 total cpu time spent up to now is 145.9 secs Computing kpt #: 173 total cpu time spent up to now is 146.6 secs Computing kpt #: 174 total cpu time spent up to now is 147.3 secs Computing kpt #: 175 total cpu time spent up to now is 148.0 secs Computing kpt #: 176 total cpu time spent up to now is 148.7 secs Computing kpt #: 177 total cpu time spent up to now is 149.4 secs Computing kpt #: 178 total cpu time spent up to now is 150.2 secs Computing kpt #: 179 total cpu time spent up to now is 150.9 secs Computing kpt #: 180 total cpu time spent up to now is 151.6 secs Computing kpt #: 181 total cpu time spent up to now is 152.4 secs Computing kpt #: 182 total cpu time spent up to now is 153.1 secs Computing kpt #: 183 total cpu time spent up to now is 153.8 secs Computing kpt #: 184 total cpu time spent up to now is 154.6 secs Computing kpt #: 185 total cpu time spent up to now is 155.3 secs Computing kpt #: 186 total cpu time spent up to now is 156.0 secs Computing kpt #: 187 total cpu time spent up to now is 156.8 secs Computing kpt #: 188 total cpu time spent up to now is 157.7 secs Computing kpt #: 189 total cpu time spent up to now is 158.6 secs Computing kpt #: 190 total cpu time spent up to now is 159.5 secs Computing kpt #: 191 total cpu time spent up to now is 160.5 secs Computing kpt #: 192 total cpu time spent up to now is 161.5 secs Computing kpt #: 193 total cpu time spent up to now is 162.3 secs Computing kpt #: 194 total cpu time spent up to now is 163.2 secs Computing kpt #: 195 total cpu time spent up to now is 164.1 secs Computing kpt #: 196 total cpu time spent up to now is 164.8 secs Computing kpt #: 197 total cpu time spent up to now is 165.6 secs Computing kpt #: 198 total cpu time spent up to now is 166.3 secs Computing kpt #: 199 total cpu time spent up to now is 167.0 secs Computing kpt #: 200 total cpu time spent up to now is 167.8 secs Computing kpt #: 201 total cpu time spent up to now is 168.5 secs Computing kpt #: 202 total cpu time spent up to now is 169.2 secs Computing kpt #: 203 total cpu time spent up to now is 170.0 secs Computing kpt #: 204 total cpu time spent up to now is 170.7 secs Computing kpt #: 205 total cpu time spent up to now is 171.4 secs Computing kpt #: 206 total cpu time spent up to now is 172.1 secs Computing kpt #: 207 total cpu time spent up to now is 172.8 secs Computing kpt #: 208 total cpu time spent up to now is 173.6 secs Computing kpt #: 209 total cpu time spent up to now is 174.3 secs Computing kpt #: 210 total cpu time spent up to now is 175.1 secs Computing kpt #: 211 total cpu time spent up to now is 175.8 secs Computing kpt #: 212 total cpu time spent up to now is 176.5 secs Computing kpt #: 213 total cpu time spent up to now is 177.2 secs Computing kpt #: 214 total cpu time spent up to now is 178.0 secs Computing kpt #: 215 total cpu time spent up to now is 178.7 secs Computing kpt #: 216 total cpu time spent up to now is 179.5 secs Computing kpt #: 217 total cpu time spent up to now is 180.2 secs Computing kpt #: 218 total cpu time spent up to now is 180.9 secs Computing kpt #: 219 total cpu time spent up to now is 181.7 secs Computing kpt #: 220 total cpu time spent up to now is 182.4 secs Computing kpt #: 221 total cpu time spent up to now is 183.2 secs Computing kpt #: 222 total cpu time spent up to now is 183.9 secs Computing kpt #: 223 total cpu time spent up to now is 184.7 secs Computing kpt #: 224 total cpu time spent up to now is 185.5 secs Computing kpt #: 225 total cpu time spent up to now is 186.2 secs Computing kpt #: 226 total cpu time spent up to now is 186.9 secs Computing kpt #: 227 total cpu time spent up to now is 187.7 secs Computing kpt #: 228 total cpu time spent up to now is 188.5 secs Computing kpt #: 229 total cpu time spent up to now is 189.3 secs Computing kpt #: 230 total cpu time spent up to now is 190.0 secs Computing kpt #: 231 total cpu time spent up to now is 190.7 secs Computing kpt #: 232 total cpu time spent up to now is 191.4 secs Computing kpt #: 233 total cpu time spent up to now is 192.2 secs Computing kpt #: 234 total cpu time spent up to now is 192.9 secs Computing kpt #: 235 total cpu time spent up to now is 193.6 secs Computing kpt #: 236 total cpu time spent up to now is 194.3 secs Computing kpt #: 237 total cpu time spent up to now is 195.0 secs Computing kpt #: 238 total cpu time spent up to now is 195.7 secs Computing kpt #: 239 total cpu time spent up to now is 196.5 secs Computing kpt #: 240 total cpu time spent up to now is 197.2 secs Computing kpt #: 241 total cpu time spent up to now is 198.0 secs Computing kpt #: 242 total cpu time spent up to now is 198.7 secs Computing kpt #: 243 total cpu time spent up to now is 199.5 secs Computing kpt #: 244 total cpu time spent up to now is 200.3 secs Computing kpt #: 245 total cpu time spent up to now is 201.2 secs Computing kpt #: 246 total cpu time spent up to now is 202.0 secs Computing kpt #: 247 total cpu time spent up to now is 202.9 secs Computing kpt #: 248 total cpu time spent up to now is 203.7 secs Computing kpt #: 249 total cpu time spent up to now is 204.5 secs Computing kpt #: 250 total cpu time spent up to now is 205.3 secs Computing kpt #: 251 total cpu time spent up to now is 206.2 secs Computing kpt #: 252 total cpu time spent up to now is 207.1 secs Computing kpt #: 253 total cpu time spent up to now is 207.9 secs Computing kpt #: 254 total cpu time spent up to now is 208.8 secs Computing kpt #: 255 total cpu time spent up to now is 209.7 secs Computing kpt #: 256 total cpu time spent up to now is 210.6 secs Computing kpt #: 257 total cpu time spent up to now is 211.4 secs Computing kpt #: 258 total cpu time spent up to now is 212.3 secs Computing kpt #: 259 total cpu time spent up to now is 213.3 secs Computing kpt #: 260 total cpu time spent up to now is 214.1 secs Computing kpt #: 261 total cpu time spent up to now is 214.9 secs Computing kpt #: 262 total cpu time spent up to now is 215.7 secs Computing kpt #: 263 total cpu time spent up to now is 216.6 secs Computing kpt #: 264 total cpu time spent up to now is 217.5 secs Computing kpt #: 265 total cpu time spent up to now is 218.3 secs Computing kpt #: 266 total cpu time spent up to now is 219.2 secs Computing kpt #: 267 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 221.2 secs Computing kpt #: 268 total cpu time spent up to now is 222.1 secs Computing kpt #: 269 total cpu time spent up to now is 223.0 secs Computing kpt #: 270 total cpu time spent up to now is 223.8 secs Computing kpt #: 271 total cpu time spent up to now is 224.6 secs Computing kpt #: 272 total cpu time spent up to now is 225.5 secs Computing kpt #: 273 total cpu time spent up to now is 226.3 secs Computing kpt #: 274 total cpu time spent up to now is 227.0 secs Computing kpt #: 275 total cpu time spent up to now is 227.9 secs Computing kpt #: 276 total cpu time spent up to now is 228.6 secs Computing kpt #: 277 total cpu time spent up to now is 229.3 secs Computing kpt #: 278 total cpu time spent up to now is 230.1 secs Computing kpt #: 279 total cpu time spent up to now is 230.8 secs Computing kpt #: 280 total cpu time spent up to now is 231.5 secs Computing kpt #: 281 total cpu time spent up to now is 232.2 secs Computing kpt #: 282 total cpu time spent up to now is 233.0 secs Computing kpt #: 283 total cpu time spent up to now is 233.6 secs Computing kpt #: 284 total cpu time spent up to now is 234.3 secs Computing kpt #: 285 total cpu time spent up to now is 235.0 secs Computing kpt #: 286 total cpu time spent up to now is 235.7 secs Computing kpt #: 287 total cpu time spent up to now is 236.5 secs Computing kpt #: 288 total cpu time spent up to now is 237.2 secs Computing kpt #: 289 total cpu time spent up to now is 237.9 secs Computing kpt #: 290 total cpu time spent up to now is 238.7 secs Computing kpt #: 291 total cpu time spent up to now is 239.4 secs Computing kpt #: 292 total cpu time spent up to now is 240.2 secs Computing kpt #: 293 total cpu time spent up to now is 240.9 secs Computing kpt #: 294 total cpu time spent up to now is 241.7 secs Computing kpt #: 295 total cpu time spent up to now is 242.5 secs Computing kpt #: 296 total cpu time spent up to now is 243.2 secs Computing kpt #: 297 total cpu time spent up to now is 243.9 secs Computing kpt #: 298 total cpu time spent up to now is 244.7 secs Computing kpt #: 299 total cpu time spent up to now is 245.6 secs Computing kpt #: 300 total cpu time spent up to now is 246.7 secs Computing kpt #: 301 total cpu time spent up to now is 247.6 secs ethr = 2.08E-08, avg # of iterations = 23.4 total cpu time spent up to now is 247.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4459 PWs) bands (ev): -28.0816 -28.0816 -24.3632 -24.3632 -17.6278 -17.6278 -17.2462 -17.2462 -14.4235 -14.4235 -14.4212 -14.4212 -11.0489 -11.0489 -10.0041 -10.0041 -9.9057 -9.9057 -8.0376 -8.0376 -7.7897 -7.7897 -7.7377 -7.7377 -3.6225 -3.6225 -1.3983 -1.3983 -1.3640 -1.3640 -1.3540 -1.3540 1.2701 1.2701 1.3161 1.3161 1.7303 1.7303 2.6236 2.6236 2.6237 2.6237 2.6632 2.6632 2.7171 2.7171 4.0195 4.0195 8.2144 8.2144 9.8846 9.8846 10.8975 10.8975 10.9176 10.9176 12.1028 12.1028 k = 0.0143 0.0082-0.0000 ( 4471 PWs) bands (ev): -28.0816 -28.0816 -24.3632 -24.3632 -17.6279 -17.6279 -17.2462 -17.2462 -14.4236 -14.4236 -14.4214 -14.4214 -11.0487 -11.0487 -10.0039 -10.0039 -9.9053 -9.9053 -8.0376 -8.0376 -7.7897 -7.7897 -7.7377 -7.7377 -3.6213 -3.6213 -1.3984 -1.3984 -1.3645 -1.3645 -1.3545 -1.3545 1.2700 1.2700 1.3161 1.3161 1.7303 1.7303 2.6235 2.6235 2.6236 2.6236 2.6620 2.6620 2.7158 2.7158 4.0184 4.0184 8.2167 8.2167 9.8845 9.8845 10.8986 10.8986 10.9187 10.9187 12.1027 12.1027 k = 0.0286 0.0165-0.0000 ( 4479 PWs) bands (ev): -28.0816 -28.0816 -24.3632 -24.3632 -17.6282 -17.6282 -17.2463 -17.2463 -14.4241 -14.4241 -14.4218 -14.4218 -11.0480 -11.0480 -10.0034 -10.0034 -9.9041 -9.9041 -8.0377 -8.0377 -7.7898 -7.7898 -7.7377 -7.7377 -3.6179 -3.6179 -1.3988 -1.3988 -1.3662 -1.3662 -1.3557 -1.3557 1.2700 1.2700 1.3160 1.3160 1.7302 1.7302 2.6231 2.6231 2.6233 2.6233 2.6581 2.6581 2.7121 2.7121 4.0150 4.0150 8.2238 8.2238 9.8843 9.8843 10.9016 10.9016 10.9221 10.9221 12.1008 12.1008 k = 0.0429 0.0247-0.0000 ( 4483 PWs) bands (ev): -28.0816 -28.0816 -24.3632 -24.3632 -17.6285 -17.6285 -17.2463 -17.2463 -14.4248 -14.4248 -14.4225 -14.4225 -11.0468 -11.0468 -10.0025 -10.0025 -9.9021 -9.9021 -8.0377 -8.0377 -7.7900 -7.7900 -7.7378 -7.7378 -3.6121 -3.6121 -1.3995 -1.3995 -1.3698 -1.3698 -1.3569 -1.3569 1.2699 1.2699 1.3159 1.3159 1.7302 1.7302 2.6225 2.6225 2.6228 2.6228 2.6511 2.6511 2.7066 2.7066 4.0093 4.0093 8.2355 8.2355 9.8839 9.8839 10.9062 10.9062 10.9283 10.9283 12.0943 12.0943 k = 0.0571 0.0330-0.0000 ( 4491 PWs) bands (ev): -28.0815 -28.0815 -24.3632 -24.3632 -17.6290 -17.6290 -17.2464 -17.2464 -14.4259 -14.4259 -14.4234 -14.4234 -11.0452 -11.0452 -10.0013 -10.0013 -9.8993 -9.8993 -8.0379 -8.0379 -7.7902 -7.7902 -7.7379 -7.7379 -3.6040 -3.6040 -1.4007 -1.4007 -1.3755 -1.3755 -1.3576 -1.3576 1.2699 1.2699 1.3158 1.3158 1.7300 1.7300 2.6216 2.6216 2.6221 2.6221 2.6404 2.6404 2.6999 2.6999 4.0014 4.0014 8.2518 8.2518 9.8834 9.8834 10.9119 10.9119 10.9377 10.9377 12.0827 12.0827 k = 0.0714 0.0412-0.0000 ( 4495 PWs) bands (ev): -28.0814 -28.0814 -24.3632 -24.3632 -17.6297 -17.6297 -17.2465 -17.2465 -14.4273 -14.4273 -14.4246 -14.4246 -11.0431 -11.0431 -9.9998 -9.9998 -9.8957 -9.8957 -8.0380 -8.0380 -7.7905 -7.7905 -7.7380 -7.7380 -3.5937 -3.5937 -1.4025 -1.4025 -1.3831 -1.3831 -1.3579 -1.3579 1.2697 1.2697 1.3157 1.3157 1.7299 1.7299 2.6203 2.6203 2.6211 2.6211 2.6256 2.6256 2.6929 2.6929 3.9914 3.9914 8.2726 8.2726 9.8826 9.8826 10.9183 10.9183 10.9506 10.9506 12.0670 12.0670 k = 0.0857 0.0495-0.0000 ( 4503 PWs) bands (ev): -28.0814 -28.0814 -24.3632 -24.3632 -17.6304 -17.6304 -17.2465 -17.2465 -14.4290 -14.4290 -14.4259 -14.4259 -11.0406 -11.0406 -9.9979 -9.9979 -9.8914 -9.8914 -8.0382 -8.0382 -7.7908 -7.7908 -7.7381 -7.7381 -3.5812 -3.5812 -1.4059 -1.4059 -1.3912 -1.3912 -1.3580 -1.3580 1.2696 1.2696 1.3156 1.3156 1.7297 1.7297 2.6057 2.6057 2.6192 2.6192 2.6203 2.6203 2.6858 2.6858 3.9795 3.9795 8.2978 8.2978 9.8815 9.8815 10.9254 10.9254 10.9671 10.9671 12.0482 12.0482 k = 0.1000 0.0577-0.0000 ( 4505 PWs) bands (ev): -28.0813 -28.0813 -24.3632 -24.3632 -17.6313 -17.6313 -17.2467 -17.2467 -14.4311 -14.4311 -14.4275 -14.4275 -11.0377 -11.0377 -9.9958 -9.9958 -9.8864 -9.8864 -8.0384 -8.0384 -7.7912 -7.7912 -7.7383 -7.7383 -3.5666 -3.5666 -1.4133 -1.4133 -1.3975 -1.3975 -1.3580 -1.3580 1.2694 1.2694 1.3156 1.3156 1.7295 1.7295 2.5820 2.5820 2.6176 2.6176 2.6190 2.6190 2.6788 2.6788 3.9656 3.9656 8.3273 8.3273 9.8800 9.8800 10.9332 10.9332 10.9871 10.9871 12.0269 12.0269 k = 0.1143 0.0660-0.0000 ( 4497 PWs) bands (ev): -28.0811 -28.0811 -24.3631 -24.3631 -17.6324 -17.6324 -17.2468 -17.2468 -14.4334 -14.4334 -14.4292 -14.4292 -11.0344 -11.0344 -9.9933 -9.9933 -9.8807 -9.8807 -8.0385 -8.0385 -7.7916 -7.7916 -7.7385 -7.7385 -3.5500 -3.5500 -1.4253 -1.4253 -1.4011 -1.4011 -1.3579 -1.3579 1.2691 1.2691 1.3155 1.3155 1.7293 1.7293 2.5542 2.5542 2.6159 2.6159 2.6176 2.6176 2.6717 2.6717 3.9500 3.9500 8.3610 8.3610 9.8782 9.8782 10.9418 10.9418 11.0104 11.0104 12.0032 12.0032 k = 0.1286 0.0742-0.0000 ( 4503 PWs) bands (ev): -28.0810 -28.0810 -24.3631 -24.3631 -17.6335 -17.6335 -17.2469 -17.2469 -14.4360 -14.4360 -14.4310 -14.4310 -11.0308 -11.0308 -9.9906 -9.9906 -9.8743 -9.8743 -8.0388 -8.0388 -7.7921 -7.7921 -7.7387 -7.7387 -3.5314 -3.5314 -1.4401 -1.4401 -1.4036 -1.4036 -1.3577 -1.3577 1.2688 1.2688 1.3155 1.3155 1.7290 1.7290 2.5228 2.5228 2.6140 2.6140 2.6161 2.6161 2.6645 2.6645 3.9329 3.9329 8.3986 8.3986 9.8760 9.8760 10.9511 10.9511 11.0369 11.0369 11.9772 11.9772 k = 0.1429 0.0825-0.0000 ( 4503 PWs) bands (ev): -28.0809 -28.0809 -24.3631 -24.3631 -17.6347 -17.6347 -17.2470 -17.2470 -14.4388 -14.4388 -14.4330 -14.4330 -11.0270 -11.0270 -9.9876 -9.9876 -9.8674 -9.8674 -8.0390 -8.0390 -7.7926 -7.7926 -7.7388 -7.7388 -3.5109 -3.5109 -1.4569 -1.4569 -1.4058 -1.4058 -1.3575 -1.3575 1.2684 1.2684 1.3155 1.3155 1.7288 1.7288 2.4883 2.4883 2.6120 2.6120 2.6145 2.6145 2.6571 2.6571 3.9143 3.9143 8.4400 8.4400 9.8733 9.8733 10.9611 10.9611 11.0665 11.0665 11.9487 11.9487 k = 0.1571 0.0907-0.0000 ( 4501 PWs) bands (ev): -28.0807 -28.0807 -24.3631 -24.3631 -17.6360 -17.6360 -17.2472 -17.2472 -14.4418 -14.4418 -14.4352 -14.4352 -11.0228 -11.0228 -9.9844 -9.9844 -9.8600 -9.8600 -8.0392 -8.0392 -7.7931 -7.7931 -7.7391 -7.7391 -3.4888 -3.4888 -1.4751 -1.4751 -1.4081 -1.4081 -1.3572 -1.3572 1.2679 1.2679 1.3156 1.3156 1.7284 1.7284 2.4509 2.4509 2.6099 2.6099 2.6127 2.6127 2.6494 2.6494 3.8945 3.8945 8.4851 8.4851 9.8701 9.8701 10.9719 10.9719 11.0991 11.0991 11.9174 11.9174 k = 0.1714 0.0990-0.0000 ( 4505 PWs) bands (ev): -28.0806 -28.0806 -24.3630 -24.3630 -17.6374 -17.6374 -17.2474 -17.2474 -14.4451 -14.4451 -14.4374 -14.4374 -11.0184 -11.0184 -9.9810 -9.9810 -9.8521 -9.8521 -8.0395 -8.0395 -7.7936 -7.7936 -7.7393 -7.7393 -3.4650 -3.4650 -1.4947 -1.4947 -1.4103 -1.4103 -1.3569 -1.3569 1.2673 1.2673 1.3157 1.3157 1.7281 1.7281 2.4111 2.4111 2.6077 2.6077 2.6108 2.6108 2.6414 2.6414 3.8737 3.8737 8.5336 8.5336 9.8664 9.8664 10.9833 10.9833 11.1345 11.1345 11.8833 11.8833 k = 0.1857 0.1072-0.0000 ( 4503 PWs) bands (ev): -28.0804 -28.0804 -24.3630 -24.3630 -17.6389 -17.6389 -17.2475 -17.2475 -14.4484 -14.4484 -14.4398 -14.4398 -11.0138 -11.0138 -9.9775 -9.9775 -9.8438 -9.8438 -8.0397 -8.0397 -7.7941 -7.7941 -7.7395 -7.7395 -3.4397 -3.4397 -1.5154 -1.5154 -1.4127 -1.4127 -1.3566 -1.3566 1.2667 1.2667 1.3159 1.3159 1.7277 1.7277 2.3693 2.3693 2.6054 2.6054 2.6088 2.6088 2.6333 2.6333 3.8520 3.8520 8.5853 8.5853 9.8623 9.8623 10.9952 10.9952 11.1727 11.1727 11.8461 11.8461 k = 0.2000 0.1155-0.0000 ( 4501 PWs) bands (ev): -28.0802 -28.0802 -24.3629 -24.3629 -17.6404 -17.6404 -17.2477 -17.2477 -14.4519 -14.4519 -14.4422 -14.4422 -11.0091 -11.0091 -9.9737 -9.9737 -9.8351 -9.8351 -8.0400 -8.0400 -7.7947 -7.7947 -7.7397 -7.7397 -3.4131 -3.4131 -1.5371 -1.5371 -1.4151 -1.4151 -1.3562 -1.3562 1.2660 1.2660 1.3162 1.3162 1.7273 1.7273 2.3257 2.3257 2.6031 2.6031 2.6067 2.6067 2.6249 2.6249 3.8296 3.8296 8.6400 8.6400 9.8577 9.8577 11.0076 11.0076 11.2133 11.2133 11.8058 11.8058 k = 0.2143 0.1237-0.0000 ( 4507 PWs) bands (ev): -28.0801 -28.0801 -24.3629 -24.3629 -17.6420 -17.6420 -17.2479 -17.2479 -14.4555 -14.4555 -14.4448 -14.4448 -11.0043 -11.0043 -9.9698 -9.9698 -9.8262 -9.8262 -8.0402 -8.0402 -7.7952 -7.7952 -7.7399 -7.7399 -3.3853 -3.3853 -1.5595 -1.5595 -1.4176 -1.4176 -1.3559 -1.3559 1.2652 1.2652 1.3165 1.3165 1.7269 1.7269 2.2808 2.2808 2.6008 2.6008 2.6045 2.6045 2.6165 2.6165 3.8067 3.8067 8.6975 8.6975 9.8526 9.8526 11.0204 11.0204 11.2562 11.2562 11.7627 11.7627 k = 0.2286 0.1320-0.0000 ( 4507 PWs) bands (ev): -28.0799 -28.0799 -24.3629 -24.3629 -17.6436 -17.6436 -17.2481 -17.2481 -14.4592 -14.4592 -14.4473 -14.4473 -10.9994 -10.9994 -9.9659 -9.9659 -9.8171 -9.8171 -8.0404 -8.0404 -7.7958 -7.7958 -7.7402 -7.7402 -3.3565 -3.3565 -1.5825 -1.5825 -1.4201 -1.4201 -1.3555 -1.3555 1.2643 1.2643 1.3169 1.3169 1.7265 1.7265 2.2349 2.2349 2.5984 2.5984 2.6021 2.6021 2.6082 2.6082 3.7836 3.7836 8.7575 8.7575 9.8472 9.8472 11.0335 11.0335 11.3012 11.3012 11.7169 11.7169 k = 0.2429 0.1402-0.0000 ( 4499 PWs) bands (ev): -28.0797 -28.0797 -24.3628 -24.3628 -17.6452 -17.6452 -17.2483 -17.2483 -14.4628 -14.4628 -14.4499 -14.4499 -10.9945 -10.9945 -9.9618 -9.9618 -9.8078 -9.8078 -8.0406 -8.0406 -7.7963 -7.7963 -7.7404 -7.7404 -3.3270 -3.3270 -1.6060 -1.6060 -1.4226 -1.4226 -1.3552 -1.3552 1.2634 1.2634 1.3174 1.3174 1.7260 1.7260 2.1884 2.1884 2.5957 2.5957 2.5981 2.5981 2.6018 2.6018 3.7604 3.7604 8.8197 8.8197 9.8414 9.8414 11.0467 11.0467 11.3479 11.3479 11.6689 11.6689 k = 0.2571 0.1485-0.0000 ( 4499 PWs) bands (ev): -28.0795 -28.0795 -24.3628 -24.3628 -17.6469 -17.6469 -17.2485 -17.2485 -14.4665 -14.4665 -14.4525 -14.4525 -10.9896 -10.9896 -9.9578 -9.9578 -9.7985 -9.7985 -8.0408 -8.0408 -7.7968 -7.7968 -7.7406 -7.7406 -3.2968 -3.2968 -1.6297 -1.6297 -1.4252 -1.4252 -1.3549 -1.3549 1.2624 1.2624 1.3179 1.3179 1.7255 1.7255 2.1416 2.1416 2.5894 2.5894 2.5944 2.5944 2.5988 2.5988 3.7373 3.7373 8.8840 8.8840 9.8354 9.8354 11.0600 11.0600 11.3961 11.3961 11.6193 11.6193 k = 0.2714 0.1567-0.0000 ( 4501 PWs) bands (ev): -28.0793 -28.0793 -24.3627 -24.3627 -17.6485 -17.6485 -17.2486 -17.2486 -14.4702 -14.4702 -14.4550 -14.4550 -10.9847 -10.9847 -9.9537 -9.9537 -9.7892 -9.7892 -8.0410 -8.0410 -7.7973 -7.7973 -7.7408 -7.7408 -3.2662 -3.2662 -1.6536 -1.6536 -1.4278 -1.4278 -1.3545 -1.3545 1.2613 1.2613 1.3185 1.3185 1.7250 1.7250 2.0950 2.0950 2.5811 2.5811 2.5921 2.5921 2.5964 2.5964 3.7145 3.7145 8.9499 8.9499 9.8291 9.8291 11.0733 11.0733 11.4454 11.4454 11.5686 11.5686 k = 0.2857 0.1650-0.0000 ( 4505 PWs) bands (ev): -28.0792 -28.0792 -24.3627 -24.3627 -17.6501 -17.6501 -17.2488 -17.2488 -14.4738 -14.4738 -14.4576 -14.4576 -10.9800 -10.9800 -9.9496 -9.9496 -9.7801 -9.7801 -8.0412 -8.0412 -7.7978 -7.7978 -7.7410 -7.7410 -3.2354 -3.2354 -1.6774 -1.6774 -1.4304 -1.4304 -1.3542 -1.3542 1.2603 1.2603 1.3191 1.3191 1.7245 1.7245 2.0488 2.0488 2.5727 2.5727 2.5900 2.5900 2.5943 2.5943 3.6921 3.6921 9.0172 9.0172 9.8227 9.8227 11.0865 11.0865 11.4941 11.4941 11.5184 11.5184 k = 0.3000 0.1732-0.0000 ( 4509 PWs) bands (ev): -28.0790 -28.0790 -24.3627 -24.3627 -17.6517 -17.6517 -17.2490 -17.2490 -14.4773 -14.4773 -14.4600 -14.4600 -10.9754 -10.9754 -9.9456 -9.9456 -9.7711 -9.7711 -8.0413 -8.0413 -7.7982 -7.7982 -7.7412 -7.7412 -3.2047 -3.2047 -1.7009 -1.7009 -1.4329 -1.4329 -1.3539 -1.3539 1.2592 1.2592 1.3197 1.3197 1.7240 1.7240 2.0035 2.0035 2.5645 2.5645 2.5881 2.5881 2.5921 2.5921 3.6704 3.6704 9.0856 9.0856 9.8163 9.8163 11.0994 11.0994 11.4639 11.4639 11.5472 11.5472 k = 0.3143 0.1815-0.0000 ( 4518 PWs) bands (ev): -28.0788 -28.0788 -24.3626 -24.3626 -17.6532 -17.6532 -17.2492 -17.2492 -14.4807 -14.4807 -14.4624 -14.4624 -10.9709 -10.9709 -9.9418 -9.9418 -9.7623 -9.7623 -8.0415 -8.0415 -7.7987 -7.7987 -7.7414 -7.7414 -3.1743 -3.1743 -1.7240 -1.7240 -1.4353 -1.4353 -1.3537 -1.3537 1.2580 1.2580 1.3203 1.3203 1.7234 1.7234 1.9594 1.9594 2.5566 2.5566 2.5862 2.5862 2.5901 2.5901 3.6494 3.6494 9.1547 9.1547 9.8099 9.8099 11.1119 11.1119 11.4121 11.4121 11.5976 11.5976 k = 0.3286 0.1897-0.0000 ( 4522 PWs) bands (ev): -28.0786 -28.0786 -24.3626 -24.3626 -17.6547 -17.6547 -17.2494 -17.2494 -14.4839 -14.4839 -14.4647 -14.4647 -10.9667 -10.9667 -9.9380 -9.9380 -9.7539 -9.7539 -8.0416 -8.0416 -7.7991 -7.7991 -7.7416 -7.7416 -3.1444 -3.1444 -1.7466 -1.7466 -1.4377 -1.4377 -1.3534 -1.3534 1.2569 1.2569 1.3209 1.3209 1.7228 1.7228 1.9169 1.9169 2.5489 2.5489 2.5845 2.5845 2.5882 2.5882 3.6294 3.6294 9.2240 9.2240 9.8036 9.8036 11.1241 11.1241 11.3603 11.3603 11.6478 11.6478 k = 0.3429 0.1979-0.0000 ( 4516 PWs) bands (ev): -28.0785 -28.0785 -24.3625 -24.3625 -17.6561 -17.6561 -17.2495 -17.2495 -14.4870 -14.4870 -14.4669 -14.4669 -10.9627 -10.9627 -9.9344 -9.9344 -9.7459 -9.7459 -8.0417 -8.0417 -7.7994 -7.7994 -7.7418 -7.7418 -3.1154 -3.1154 -1.7683 -1.7683 -1.4400 -1.4400 -1.3532 -1.3532 1.2558 1.2558 1.3216 1.3216 1.7222 1.7222 1.8764 1.8764 2.5417 2.5417 2.5829 2.5829 2.5863 2.5863 3.6104 3.6104 9.2930 9.2930 9.7975 9.7975 11.1356 11.1356 11.3091 11.3091 11.6972 11.6972 k = 0.3571 0.2062-0.0000 ( 4512 PWs) bands (ev): -28.0783 -28.0783 -24.3625 -24.3625 -17.6574 -17.6574 -17.2497 -17.2497 -14.4899 -14.4899 -14.4689 -14.4689 -10.9589 -10.9589 -9.9310 -9.9310 -9.7383 -9.7383 -8.0417 -8.0417 -7.7997 -7.7997 -7.7419 -7.7419 -3.0875 -3.0875 -1.7890 -1.7890 -1.4421 -1.4421 -1.3530 -1.3530 1.2548 1.2548 1.3222 1.3222 1.7215 1.7215 1.8383 1.8383 2.5349 2.5349 2.5814 2.5814 2.5846 2.5846 3.5927 3.5927 9.3613 9.3613 9.7917 9.7917 11.1465 11.1465 11.2588 11.2588 11.7452 11.7452 k = 0.3714 0.2144-0.0000 ( 4514 PWs) bands (ev): -28.0782 -28.0782 -24.3625 -24.3625 -17.6586 -17.6586 -17.2498 -17.2498 -14.4926 -14.4926 -14.4709 -14.4709 -10.9554 -10.9554 -9.9278 -9.9278 -9.7312 -9.7312 -8.0418 -8.0418 -7.8000 -7.8000 -7.7420 -7.7420 -3.0610 -3.0610 -1.8086 -1.8086 -1.4441 -1.4441 -1.3528 -1.3528 1.2537 1.2537 1.3227 1.3227 1.7206 1.7206 1.8029 1.8029 2.5285 2.5285 2.5801 2.5801 2.5829 2.5829 3.5762 3.5762 9.4282 9.4282 9.7862 9.7862 11.1565 11.1565 11.2098 11.2098 11.7913 11.7913 k = 0.3857 0.2227-0.0000 ( 4516 PWs) bands (ev): -28.0781 -28.0781 -24.3624 -24.3624 -17.6597 -17.6597 -17.2500 -17.2500 -14.4950 -14.4950 -14.4726 -14.4726 -10.9523 -10.9523 -9.9248 -9.9248 -9.7248 -9.7248 -8.0418 -8.0418 -7.8003 -7.8003 -7.7422 -7.7422 -3.0362 -3.0362 -1.8269 -1.8269 -1.4459 -1.4459 -1.3526 -1.3526 1.2527 1.2527 1.3232 1.3232 1.7191 1.7191 1.7709 1.7709 2.5227 2.5227 2.5789 2.5789 2.5815 2.5815 3.5612 3.5612 9.4929 9.4929 9.7810 9.7810 11.1599 11.1599 11.1683 11.1683 11.8349 11.8349 k = 0.4000 0.2309-0.0000 ( 4520 PWs) bands (ev): -28.0780 -28.0780 -24.3624 -24.3624 -17.6607 -17.6607 -17.2501 -17.2501 -14.4973 -14.4973 -14.4742 -14.4742 -10.9494 -10.9494 -9.9222 -9.9222 -9.7189 -9.7189 -8.0419 -8.0419 -7.8005 -7.8005 -7.7423 -7.7423 -3.0133 -3.0133 -1.8436 -1.8436 -1.4476 -1.4476 -1.3525 -1.3525 1.2518 1.2518 1.3237 1.3237 1.7156 1.7156 1.7443 1.7443 2.5175 2.5175 2.5778 2.5778 2.5801 2.5801 3.5477 3.5477 9.5547 9.5547 9.7763 9.7763 11.1163 11.1163 11.1749 11.1749 11.8752 11.8752 k = 0.4143 0.2392-0.0000 ( 4524 PWs) bands (ev): -28.0779 -28.0779 -24.3624 -24.3624 -17.6616 -17.6616 -17.2502 -17.2502 -14.4992 -14.4992 -14.4756 -14.4756 -10.9469 -10.9469 -9.9198 -9.9198 -9.7137 -9.7137 -8.0419 -8.0419 -7.8007 -7.8007 -7.7424 -7.7424 -2.9928 -2.9928 -1.8585 -1.8585 -1.4491 -1.4491 -1.3524 -1.3524 1.2509 1.2509 1.3242 1.3242 1.7040 1.7040 1.7291 1.7291 2.5129 2.5129 2.5769 2.5769 2.5790 2.5790 3.5359 3.5359 9.6124 9.6124 9.7722 9.7722 11.0738 11.0738 11.1822 11.1822 11.9116 11.9116 k = 0.4286 0.2474-0.0000 ( 4532 PWs) bands (ev): -28.0778 -28.0778 -24.3624 -24.3624 -17.6624 -17.6624 -17.2503 -17.2503 -14.5009 -14.5009 -14.4768 -14.4768 -10.9448 -10.9448 -9.9178 -9.9178 -9.7093 -9.7093 -8.0419 -8.0419 -7.8008 -7.8008 -7.7425 -7.7425 -2.9749 -2.9749 -1.8716 -1.8716 -1.4504 -1.4504 -1.3523 -1.3523 1.2502 1.2502 1.3245 1.3245 1.6853 1.6853 1.7248 1.7248 2.5090 2.5090 2.5761 2.5761 2.5779 2.5779 3.5257 3.5257 9.6650 9.6650 9.7685 9.7685 11.0347 11.0347 11.1886 11.1886 11.9338 11.9339 k = 0.4429 0.2557-0.0000 ( 4536 PWs) bands (ev): -28.0777 -28.0777 -24.3624 -24.3624 -17.6631 -17.6631 -17.2504 -17.2504 -14.5023 -14.5023 -14.4778 -14.4778 -10.9430 -10.9430 -9.9161 -9.9161 -9.7056 -9.7056 -8.0419 -8.0419 -7.8010 -7.8010 -7.7425 -7.7425 -2.9598 -2.9598 -1.8826 -1.8826 -1.4514 -1.4514 -1.3522 -1.3522 1.2495 1.2495 1.3248 1.3248 1.6676 1.6676 1.7233 1.7233 2.5058 2.5058 2.5755 2.5755 2.5771 2.5771 3.5173 3.5173 9.7110 9.7110 9.7655 9.7655 11.0002 11.0002 11.1940 11.1940 11.9278 11.9278 k = 0.4571 0.2639-0.0000 ( 4548 PWs) bands (ev): -28.0777 -28.0777 -24.3624 -24.3624 -17.6636 -17.6636 -17.2504 -17.2504 -14.5034 -14.5034 -14.4785 -14.4785 -10.9416 -10.9416 -9.9148 -9.9148 -9.7027 -9.7027 -8.0420 -8.0420 -7.8011 -7.8011 -7.7426 -7.7426 -2.9478 -2.9478 -1.8913 -1.8913 -1.4523 -1.4523 -1.3522 -1.3522 1.2489 1.2489 1.3250 1.3250 1.6533 1.6533 1.7226 1.7226 2.5032 2.5032 2.5750 2.5750 2.5764 2.5764 3.5107 3.5107 9.7490 9.7490 9.7633 9.7633 10.9715 10.9715 11.1982 11.1982 11.9219 11.9219 k = 0.4714 0.2722-0.0000 ( 4546 PWs) bands (ev): -28.0776 -28.0776 -24.3624 -24.3624 -17.6639 -17.6639 -17.2505 -17.2505 -14.5042 -14.5042 -14.4791 -14.4791 -10.9406 -10.9406 -9.9138 -9.9138 -9.7006 -9.7006 -8.0420 -8.0420 -7.8011 -7.8011 -7.7426 -7.7426 -2.9390 -2.9390 -1.8976 -1.8976 -1.4529 -1.4529 -1.3521 -1.3521 1.2485 1.2485 1.3252 1.3252 1.6428 1.6428 1.7222 1.7222 2.5014 2.5014 2.5747 2.5747 2.5760 2.5760 3.5060 3.5060 9.7612 9.7612 9.7779 9.7779 10.9498 10.9498 11.2012 11.2012 11.9175 11.9175 k = 0.4857 0.2804-0.0000 ( 4534 PWs) bands (ev): -28.0776 -28.0776 -24.3623 -24.3623 -17.6642 -17.6642 -17.2505 -17.2505 -14.5046 -14.5046 -14.4794 -14.4794 -10.9400 -10.9400 -9.9132 -9.9132 -9.6993 -9.6993 -8.0419 -8.0419 -7.8012 -7.8012 -7.7426 -7.7426 -2.9337 -2.9337 -1.9014 -1.9014 -1.4532 -1.4532 -1.3521 -1.3521 1.2483 1.2483 1.3253 1.3253 1.6365 1.6365 1.7220 1.7220 2.5002 2.5002 2.5744 2.5744 2.5757 2.5757 3.5031 3.5031 9.7603 9.7603 9.7956 9.7956 10.9362 10.9362 11.2030 11.2030 11.9148 11.9148 k = 0.5000 0.2887-0.0000 ( 4528 PWs) bands (ev): -28.0776 -28.0776 -24.3623 -24.3623 -17.6642 -17.6642 -17.2505 -17.2505 -14.5048 -14.5048 -14.4795 -14.4795 -10.9398 -10.9398 -9.9130 -9.9130 -9.6989 -9.6989 -8.0419 -8.0419 -7.8012 -7.8012 -7.7426 -7.7426 -2.9319 -2.9319 -1.9027 -1.9027 -1.4533 -1.4533 -1.3521 -1.3521 1.2482 1.2482 1.3254 1.3254 1.6344 1.6344 1.7219 1.7219 2.4999 2.4999 2.5744 2.5744 2.5756 2.5756 3.5022 3.5022 9.7599 9.7599 9.8016 9.8016 10.9315 10.9315 11.2036 11.2036 11.9139 11.9139 k = 0.5000 0.2887-0.0000 ( 4528 PWs) bands (ev): -28.0776 -28.0776 -24.3623 -24.3623 -17.6642 -17.6642 -17.2505 -17.2505 -14.5048 -14.5048 -14.4795 -14.4795 -10.9398 -10.9398 -9.9130 -9.9130 -9.6989 -9.6989 -8.0419 -8.0419 -7.8012 -7.8012 -7.7426 -7.7426 -2.9319 -2.9319 -1.9027 -1.9027 -1.4533 -1.4533 -1.3521 -1.3521 1.2482 1.2482 1.3254 1.3254 1.6344 1.6344 1.7219 1.7219 2.4999 2.4999 2.5744 2.5744 2.5756 2.5756 3.5022 3.5022 9.7599 9.7599 9.8016 9.8016 10.9315 10.9315 11.2036 11.2036 11.9139 11.9139 k = 0.4917 0.3031-0.0000 ( 4532 PWs) bands (ev): -28.0776 -28.0776 -24.3623 -24.3623 -17.6644 -17.6641 -17.2505 -17.2505 -14.5092 -14.5044 -14.4793 -14.4759 -10.9420 -10.9375 -9.9146 -9.9112 -9.7024 -9.6952 -8.0426 -8.0412 -7.8023 -7.8000 -7.7429 -7.7424 -2.9317 -2.9308 -1.9044 -1.9034 -1.4534 -1.4534 -1.3520 -1.3509 1.2467 1.2499 1.3239 1.3268 1.6343 1.6353 1.7218 1.7220 2.4982 2.4989 2.5706 2.5706 2.5794 2.5794 3.5013 3.5019 9.7589 9.7593 9.8019 9.8020 10.9335 10.9336 11.2058 11.2063 11.9147 11.9147 k = 0.4833 0.3175-0.0000 ( 4540 PWs) bands (ev): -28.0776 -28.0776 -24.3623 -24.3623 -17.6646 -17.6640 -17.2505 -17.2505 -14.5156 -14.5080 -14.4751 -14.4705 -10.9441 -10.9350 -9.9161 -9.9093 -9.7058 -9.6913 -8.0433 -8.0405 -7.8035 -7.7988 -7.7431 -7.7422 -2.9300 -2.9283 -1.9085 -1.9065 -1.4535 -1.4535 -1.3505 -1.3485 1.2452 1.2516 1.3223 1.3282 1.6351 1.6370 1.7217 1.7220 2.4940 2.4954 2.5662 2.5662 2.5837 2.5837 3.4993 3.5005 9.7564 9.7570 9.8027 9.8029 10.9396 10.9396 11.2129 11.2138 11.9171 11.9172 k = 0.4750 0.3320-0.0000 ( 4538 PWs) bands (ev): -28.0776 -28.0776 -24.3623 -24.3623 -17.6649 -17.6640 -17.2505 -17.2505 -14.5228 -14.5136 -14.4691 -14.4644 -10.9460 -10.9325 -9.9173 -9.9072 -9.7089 -9.6873 -8.0440 -8.0398 -7.8046 -7.7977 -7.7433 -7.7420 -2.9269 -2.9244 -1.9147 -1.9118 -1.4538 -1.4537 -1.3479 -1.3449 1.2437 1.2534 1.3207 1.3295 1.6368 1.6396 1.7216 1.7220 2.4873 2.4894 2.5619 2.5619 2.5879 2.5880 3.4963 3.4981 9.7523 9.7532 9.8041 9.8044 10.9496 10.9496 11.2246 11.2259 11.9210 11.9212 k = 0.4667 0.3464-0.0000 ( 4538 PWs) bands (ev): -28.0775 -28.0775 -24.3623 -24.3623 -17.6652 -17.6639 -17.2506 -17.2505 -14.5302 -14.5200 -14.4626 -14.4582 -10.9478 -10.9300 -9.9184 -9.9049 -9.7118 -9.6832 -8.0446 -8.0391 -7.8056 -7.7965 -7.7435 -7.7417 -2.9225 -2.9192 -1.9230 -1.9192 -1.4541 -1.4541 -1.3442 -1.3403 1.2424 1.2552 1.3190 1.3308 1.6392 1.6429 1.7214 1.7219 2.4782 2.4810 2.5577 2.5577 2.5921 2.5921 3.4923 3.4946 9.7468 9.7480 9.8061 9.8065 10.9635 10.9636 11.2408 11.2425 11.9262 11.9263 k = 0.4583 0.3608-0.0000 ( 4534 PWs) bands (ev): -28.0775 -28.0775 -24.3623 -24.3623 -17.6655 -17.6640 -17.2506 -17.2506 -14.5377 -14.5265 -14.4560 -14.4520 -10.9494 -10.9274 -9.9193 -9.9026 -9.7145 -9.6790 -8.0451 -8.0384 -7.8067 -7.7954 -7.7437 -7.7415 -2.9168 -2.9127 -1.9331 -1.9285 -1.4545 -1.4545 -1.3397 -1.3348 1.2411 1.2570 1.3173 1.3320 1.6423 1.6470 1.7213 1.7218 2.4670 2.4704 2.5536 2.5536 2.5961 2.5961 3.4874 3.4902 9.7402 9.7417 9.8087 9.8092 10.9813 10.9814 11.2611 11.2633 11.9322 11.9324 k = 0.4500 0.3753-0.0000 ( 4540 PWs) bands (ev): -28.0775 -28.0775 -24.3623 -24.3623 -17.6659 -17.6641 -17.2506 -17.2506 -14.5450 -14.5330 -14.4496 -14.4461 -10.9508 -10.9248 -9.9200 -9.9001 -9.7169 -9.6748 -8.0457 -8.0377 -7.8076 -7.7943 -7.7439 -7.7413 -2.9100 -2.9051 -1.9447 -1.9394 -1.4550 -1.4550 -1.3344 -1.3288 1.2399 1.2589 1.3156 1.3331 1.6460 1.6517 1.7210 1.7218 2.4538 2.4577 2.5496 2.5496 2.5999 2.6000 3.4817 3.4850 9.7327 9.7344 9.8118 9.8124 11.0029 11.0029 11.2853 11.2879 11.9385 11.9387 k = 0.4417 0.3897-0.0000 ( 4548 PWs) bands (ev): -28.0775 -28.0775 -24.3623 -24.3623 -17.6662 -17.6642 -17.2507 -17.2506 -14.5521 -14.5394 -14.4434 -14.4405 -10.9521 -10.9223 -9.9206 -9.8976 -9.7190 -9.6706 -8.0462 -8.0370 -7.8086 -7.7932 -7.7441 -7.7411 -2.9020 -2.8965 -1.9575 -1.9516 -1.4555 -1.4555 -1.3287 -1.3223 1.2387 1.2608 1.3138 1.3341 1.6503 1.6570 1.7208 1.7217 2.4390 2.4433 2.5457 2.5458 2.6036 2.6037 3.4753 3.4791 9.7244 9.7263 9.8155 9.8161 11.0281 11.0281 11.3129 11.3158 11.9446 11.9447 k = 0.4333 0.4041-0.0000 ( 4548 PWs) bands (ev): -28.0774 -28.0774 -24.3623 -24.3623 -17.6666 -17.6643 -17.2507 -17.2507 -14.5590 -14.5455 -14.4376 -14.4351 -10.9532 -10.9198 -9.9210 -9.8950 -9.7209 -9.6664 -8.0467 -8.0364 -7.8094 -7.7922 -7.7443 -7.7409 -2.8931 -2.8869 -1.9713 -1.9648 -1.4561 -1.4561 -1.3227 -1.3156 1.2376 1.2627 1.3121 1.3351 1.6550 1.6626 1.7205 1.7216 2.4229 2.4275 2.5421 2.5421 2.6071 2.6072 3.4684 3.4727 9.7157 9.7178 9.8196 9.8204 11.0567 11.0568 11.3435 11.3468 11.9496 11.9496 k = 0.4250 0.4186-0.0000 ( 4544 PWs) bands (ev): -28.0774 -28.0774 -24.3623 -24.3623 -17.6670 -17.6645 -17.2507 -17.2507 -14.5655 -14.5514 -14.4321 -14.4301 -10.9541 -10.9173 -9.9213 -9.8925 -9.7225 -9.6623 -8.0471 -8.0357 -7.8102 -7.7913 -7.7444 -7.7407 -2.8834 -2.8766 -1.9857 -1.9787 -1.4568 -1.4567 -1.3167 -1.3089 1.2366 1.2646 1.3104 1.3361 1.6600 1.6686 1.7202 1.7215 2.4058 2.4106 2.5387 2.5387 2.6103 2.6104 3.4612 3.4659 9.7068 9.7091 9.8243 9.8251 11.0886 11.0888 11.3765 11.3802 11.9522 11.9528 k = 0.4167 0.4330-0.0000 ( 4558 PWs) bands (ev): -28.0774 -28.0774 -24.3623 -24.3623 -17.6675 -17.6647 -17.2508 -17.2508 -14.5717 -14.5569 -14.4271 -14.4256 -10.9548 -10.9150 -9.9214 -9.8899 -9.7239 -9.6584 -8.0475 -8.0352 -7.8110 -7.7904 -7.7446 -7.7405 -2.8731 -2.8657 -2.0004 -1.9930 -1.4574 -1.4574 -1.3108 -1.3024 1.2357 1.2664 1.3088 1.3370 1.6652 1.6747 1.7199 1.7213 2.3881 2.3931 2.5355 2.5355 2.6133 2.6134 3.4538 3.4588 9.6979 9.7004 9.8294 9.8302 11.1236 11.1239 11.4116 11.4156 11.9487 11.9525 k = 0.4083 0.4474-0.0000 ( 4554 PWs) bands (ev): -28.0773 -28.0773 -24.3623 -24.3623 -17.6679 -17.6649 -17.2508 -17.2508 -14.5774 -14.5621 -14.4226 -14.4214 -10.9554 -10.9127 -9.9214 -9.8875 -9.7250 -9.6546 -8.0478 -8.0346 -7.8116 -7.7896 -7.7447 -7.7403 -2.8624 -2.8544 -2.0152 -2.0074 -1.4581 -1.4580 -1.3051 -1.2962 1.2348 1.2681 1.3073 1.3378 1.6703 1.6808 1.7196 1.7212 2.3703 2.3753 2.5325 2.5326 2.6161 2.6162 3.4463 3.4517 9.6893 9.6919 9.8348 9.8357 11.1614 11.1619 11.4482 11.4526 11.9366 11.9402 k = 0.4000 0.4619-0.0000 ( 4543 PWs) bands (ev): -28.0773 -28.0773 -24.3623 -24.3623 -17.6683 -17.6651 -17.2509 -17.2508 -14.5826 -14.5668 -14.4185 -14.4177 -10.9558 -10.9106 -9.9214 -9.8851 -9.7259 -9.6511 -8.0481 -8.0341 -7.8122 -7.7888 -7.7448 -7.7402 -2.8515 -2.8430 -2.0297 -2.0215 -1.4588 -1.4587 -1.2998 -1.2904 1.2339 1.2697 1.3058 1.3386 1.6752 1.6866 1.7192 1.7211 2.3528 2.3577 2.5298 2.5299 2.6185 2.6186 3.4391 3.4448 9.6811 9.6838 9.8405 9.8415 11.2018 11.2025 11.4857 11.4905 11.9217 11.9248 k = 0.3917 0.4763-0.0000 ( 4547 PWs) bands (ev): -28.0772 -28.0772 -24.3623 -24.3623 -17.6687 -17.6653 -17.2509 -17.2509 -14.5872 -14.5710 -14.4150 -14.4144 -10.9561 -10.9087 -9.9212 -9.8829 -9.7266 -9.6478 -8.0483 -8.0337 -7.8128 -7.7881 -7.7449 -7.7400 -2.8407 -2.8318 -2.0436 -2.0351 -1.4594 -1.4594 -1.2950 -1.2852 1.2331 1.2711 1.3045 1.3393 1.6797 1.6920 1.7189 1.7210 2.3361 2.3408 2.5274 2.5275 2.6207 2.6208 3.4321 3.4381 9.6735 9.6763 9.8464 9.8474 11.2444 11.2455 11.5237 11.5289 11.9052 11.9083 k = 0.3833 0.4907-0.0000 ( 4529 PWs) bands (ev): -28.0772 -28.0772 -24.3622 -24.3622 -17.6690 -17.6656 -17.2510 -17.2509 -14.5913 -14.5747 -14.4119 -14.4116 -10.9563 -10.9070 -9.9210 -9.8808 -9.7271 -9.6448 -8.0485 -8.0333 -7.8132 -7.7875 -7.7450 -7.7399 -2.8302 -2.8210 -2.0566 -2.0479 -1.4600 -1.4600 -1.2907 -1.2805 1.2325 1.2723 1.3034 1.3400 1.6837 1.6969 1.7185 1.7209 2.3206 2.3250 2.5253 2.5253 2.6225 2.6227 3.4256 3.4318 9.6667 9.6696 9.8524 9.8534 11.2887 11.2902 11.5615 11.5671 11.8876 11.8907 k = 0.3750 0.5052-0.0000 ( 4533 PWs) bands (ev): -28.0772 -28.0772 -24.3622 -24.3622 -17.6693 -17.6658 -17.2510 -17.2510 -14.5949 -14.5779 -14.4094 -14.4093 -10.9564 -10.9055 -9.9208 -9.8790 -9.7274 -9.6421 -8.0487 -8.0329 -7.8136 -7.7870 -7.7451 -7.7398 -2.8204 -2.8109 -2.0684 -2.0595 -1.4606 -1.4605 -1.2871 -1.2765 1.2318 1.2734 1.3025 1.3406 1.6871 1.7010 1.7182 1.7208 2.3068 2.3109 2.5235 2.5235 2.6241 2.6242 3.4198 3.4262 9.6607 9.6637 9.8582 9.8593 11.3341 11.3362 11.5986 11.6047 11.8686 11.8718 k = 0.3667 0.5196-0.0000 ( 4533 PWs) bands (ev): -28.0771 -28.0771 -24.3622 -24.3622 -17.6696 -17.6659 -17.2510 -17.2510 -14.5978 -14.5805 -14.4074 -14.4073 -10.9565 -10.9042 -9.9205 -9.8774 -9.7276 -9.6399 -8.0489 -8.0327 -7.8139 -7.7866 -7.7451 -7.7397 -2.8117 -2.8019 -2.0786 -2.0696 -1.4611 -1.4610 -1.2841 -1.2733 1.2313 1.2741 1.3018 1.3411 1.6897 1.7044 1.7178 1.7206 2.2950 2.2988 2.5220 2.5221 2.6254 2.6255 3.4148 3.4213 9.6557 9.6587 9.8637 9.8648 11.3797 11.3826 11.6342 11.6411 11.8471 11.8492 k = 0.3583 0.5340-0.0000 ( 4529 PWs) bands (ev): -28.0771 -28.0771 -24.3622 -24.3622 -17.6699 -17.6661 -17.2511 -17.2510 -14.6001 -14.5826 -14.4060 -14.4058 -10.9564 -10.9032 -9.9203 -9.8762 -9.7276 -9.6380 -8.0490 -8.0324 -7.8141 -7.7863 -7.7452 -7.7397 -2.8043 -2.7943 -2.0871 -2.0779 -1.4615 -1.4614 -1.2818 -1.2707 1.2308 1.2747 1.3013 1.3415 1.6915 1.7070 1.7175 1.7202 2.2856 2.2891 2.5208 2.5209 2.6263 2.6265 3.4106 3.4173 9.6517 9.6548 9.8686 9.8697 11.4239 11.4278 11.6677 11.6757 11.8150 11.8182 k = 0.3500 0.5485-0.0000 ( 4535 PWs) bands (ev): -28.0771 -28.0771 -24.3622 -24.3622 -17.6700 -17.6662 -17.2511 -17.2510 -14.6017 -14.5841 -14.4050 -14.4047 -10.9564 -10.9024 -9.9201 -9.8753 -9.7276 -9.6367 -8.0490 -8.0323 -7.8143 -7.7861 -7.7452 -7.7396 -2.7987 -2.7886 -2.0934 -2.0841 -1.4618 -1.4617 -1.2801 -1.2689 1.2305 1.2751 1.3010 1.3418 1.6925 1.7087 1.7173 1.7199 2.2788 2.2821 2.5200 2.5200 2.6270 2.6271 3.4076 3.4143 9.6489 9.6519 9.8727 9.8738 11.4637 11.4691 11.6979 11.7079 11.7799 11.7857 k = 0.3417 0.5629-0.0000 ( 4533 PWs) bands (ev): -28.0771 -28.0771 -24.3622 -24.3622 -17.6701 -17.6663 -17.2511 -17.2511 -14.6027 -14.5849 -14.4044 -14.4041 -10.9563 -10.9020 -9.9200 -9.8747 -9.7276 -9.6358 -8.0491 -8.0322 -7.8144 -7.7860 -7.7453 -7.7396 -2.7951 -2.7849 -2.0973 -2.0880 -1.4620 -1.4619 -1.2792 -1.2679 1.2303 1.2752 1.3008 1.3420 1.6929 1.7097 1.7172 1.7195 2.2747 2.2778 2.5195 2.5195 2.6274 2.6275 3.4057 3.4124 9.6472 9.6502 9.8754 9.8765 11.4938 11.5009 11.7228 11.7369 11.7514 11.7586 k = 0.3333 0.5774-0.0000 ( 4527 PWs) bands (ev): -28.0771 -28.0771 -24.3622 -24.3622 -17.6702 -17.6663 -17.2511 -17.2511 -14.6031 -14.5852 -14.4042 -14.4038 -10.9563 -10.9018 -9.9199 -9.8745 -9.7275 -9.6355 -8.0491 -8.0322 -7.8144 -7.7859 -7.7453 -7.7396 -2.7939 -2.7836 -2.0987 -2.0894 -1.4620 -1.4620 -1.2789 -1.2675 1.2302 1.2753 1.3008 1.3420 1.6930 1.7100 1.7171 1.7194 2.2733 2.2764 2.5193 2.5194 2.6275 2.6277 3.4050 3.4118 9.6466 9.6497 9.8764 9.8775 11.5055 11.5135 11.7353 11.7392 11.7462 11.7604 k = 0.3333 0.5774-0.0000 ( 4527 PWs) bands (ev): -28.0771 -28.0771 -24.3622 -24.3622 -17.6702 -17.6663 -17.2511 -17.2511 -14.6031 -14.5852 -14.4042 -14.4038 -10.9563 -10.9018 -9.9199 -9.8745 -9.7275 -9.6355 -8.0491 -8.0322 -7.8144 -7.7859 -7.7453 -7.7396 -2.7939 -2.7836 -2.0987 -2.0894 -1.4620 -1.4620 -1.2789 -1.2675 1.2302 1.2753 1.3008 1.3420 1.6930 1.7100 1.7171 1.7194 2.2733 2.2764 2.5193 2.5194 2.6275 2.6277 3.4050 3.4118 9.6466 9.6497 9.8764 9.8775 11.5055 11.5135 11.7353 11.7392 11.7462 11.7602 k = 0.3250 0.5629-0.0000 ( 4527 PWs) bands (ev): -28.0771 -28.0771 -24.3622 -24.3622 -17.6701 -17.6663 -17.2511 -17.2511 -14.6027 -14.5849 -14.4044 -14.4040 -10.9564 -10.9020 -9.9200 -9.8747 -9.7276 -9.6358 -8.0491 -8.0322 -7.8144 -7.7860 -7.7452 -7.7396 -2.7952 -2.7849 -2.0973 -2.0880 -1.4619 -1.4619 -1.2792 -1.2678 1.2303 1.2753 1.3008 1.3420 1.6931 1.7098 1.7172 1.7196 2.2746 2.2778 2.5195 2.5195 2.6274 2.6275 3.4057 3.4125 9.6472 9.6502 9.8752 9.8763 11.4938 11.5009 11.7238 11.7387 11.7511 11.7586 k = 0.3167 0.5485-0.0000 ( 4537 PWs) bands (ev): -28.0771 -28.0771 -24.3622 -24.3622 -17.6700 -17.6662 -17.2511 -17.2510 -14.6017 -14.5841 -14.4049 -14.4046 -10.9565 -10.9025 -9.9202 -9.8753 -9.7278 -9.6368 -8.0490 -8.0323 -7.8143 -7.7861 -7.7452 -7.7396 -2.7992 -2.7891 -2.0931 -2.0838 -1.4617 -1.4617 -1.2800 -1.2688 1.2305 1.2752 1.3009 1.3417 1.6935 1.7094 1.7173 1.7201 2.2785 2.2818 2.5200 2.5200 2.6271 2.6272 3.4078 3.4145 9.6489 9.6519 9.8712 9.8723 11.4645 11.4699 11.7027 11.7135 11.7805 11.7864 k = 0.3083 0.5340-0.0000 ( 4533 PWs) bands (ev): -28.0771 -28.0771 -24.3622 -24.3622 -17.6698 -17.6660 -17.2510 -17.2510 -14.6001 -14.5826 -14.4057 -14.4055 -10.9567 -10.9033 -9.9205 -9.8763 -9.7281 -9.6383 -8.0490 -8.0324 -7.8141 -7.7863 -7.7452 -7.7397 -2.8061 -2.7961 -2.0861 -2.0769 -1.4614 -1.4613 -1.2815 -1.2704 1.2309 1.2751 1.3009 1.3414 1.6946 1.7092 1.7174 1.7211 2.2846 2.2882 2.5208 2.5209 2.6265 2.6266 3.4113 3.4180 9.6517 9.6547 9.8636 9.8647 11.4269 11.4308 11.6784 11.6874 11.8120 11.8135 k = 0.3000 0.5196-0.0000 ( 4529 PWs) bands (ev): -28.0771 -28.0771 -24.3622 -24.3622 -17.6695 -17.6658 -17.2510 -17.2510 -14.5979 -14.5806 -14.4068 -14.4067 -10.9570 -10.9045 -9.9210 -9.8777 -9.7287 -9.6405 -8.0489 -8.0326 -7.8139 -7.7865 -7.7451 -7.7397 -2.8158 -2.8059 -2.0763 -2.0673 -1.4608 -1.4608 -1.2834 -1.2726 1.2315 1.2751 1.3010 1.3409 1.6970 1.7095 1.7177 1.7226 2.2928 2.2967 2.5220 2.5220 2.6257 2.6259 3.4163 3.4229 9.6556 9.6586 9.8520 9.8531 11.3874 11.3903 11.6525 11.6605 11.8235 11.8235 k = 0.2917 0.5052-0.0000 ( 4525 PWs) bands (ev): -28.0772 -28.0772 -24.3622 -24.3622 -17.6691 -17.6655 -17.2510 -17.2509 -14.5950 -14.5780 -14.4082 -14.4081 -10.9574 -10.9060 -9.9216 -9.8795 -9.7295 -9.6434 -8.0488 -8.0328 -7.8136 -7.7869 -7.7451 -7.7398 -2.8282 -2.8186 -2.0640 -2.0551 -1.4601 -1.4601 -1.2857 -1.2753 1.2323 1.2750 1.3010 1.3403 1.7010 1.7104 1.7179 1.7250 2.3029 2.3071 2.5234 2.5235 2.6248 2.6250 3.4228 3.4293 9.6605 9.6635 9.8355 9.8366 11.3500 11.3520 11.6255 11.6328 11.8269 11.8274 k = 0.2833 0.4907-0.0000 ( 4531 PWs) bands (ev): -28.0772 -28.0772 -24.3623 -24.3623 -17.6686 -17.6650 -17.2509 -17.2509 -14.5916 -14.5749 -14.4097 -14.4097 -10.9581 -10.9079 -9.9225 -9.8817 -9.7307 -9.6470 -8.0486 -8.0331 -7.8133 -7.7872 -7.7450 -7.7398 -2.8433 -2.8339 -2.0492 -2.0405 -1.4592 -1.4592 -1.2884 -1.2784 1.2332 1.2750 1.3010 1.3395 1.7069 1.7117 1.7182 1.7288 2.3144 2.3191 2.5252 2.5253 2.6238 2.6239 3.4308 3.4372 9.6665 9.6694 9.8137 9.8147 11.3168 11.3183 11.5976 11.6045 11.8254 11.8261 k = 0.2750 0.4763-0.0000 ( 4531 PWs) bands (ev): -28.0773 -28.0773 -24.3623 -24.3623 -17.6679 -17.6645 -17.2508 -17.2508 -14.5875 -14.5713 -14.4115 -14.4114 -10.9589 -10.9102 -9.9235 -9.8843 -9.7322 -9.6514 -8.0485 -8.0334 -7.8129 -7.7876 -7.7449 -7.7399 -2.8609 -2.8518 -2.0323 -2.0237 -1.4582 -1.4581 -1.2915 -1.2819 1.2343 1.2750 1.3011 1.3387 1.7132 1.7150 1.7185 1.7347 2.3273 2.3324 2.5273 2.5274 2.6226 2.6228 3.4404 3.4466 9.6733 9.6761 9.7861 9.7871 11.2896 11.2907 11.5690 11.5755 11.8191 11.8199 k = 0.2667 0.4619-0.0000 ( 4527 PWs) bands (ev): -28.0774 -28.0774 -24.3623 -24.3623 -17.6672 -17.6639 -17.2507 -17.2507 -14.5830 -14.5673 -14.4135 -14.4133 -10.9599 -10.9128 -9.9248 -9.8872 -9.7342 -9.6564 -8.0483 -8.0338 -7.8124 -7.7881 -7.7448 -7.7399 -2.8808 -2.8719 -2.0134 -2.0050 -1.4570 -1.4569 -1.2948 -1.2857 1.2355 1.2749 1.3012 1.3377 1.7146 1.7188 1.7258 1.7431 2.3412 2.3468 2.5297 2.5297 2.6214 2.6215 3.4514 3.4574 9.6809 9.6837 9.7524 9.7534 11.2693 11.2700 11.5398 11.5459 11.8082 11.8091 k = 0.2583 0.4474-0.0000 ( 4519 PWs) bands (ev): -28.0775 -28.0775 -24.3623 -24.3623 -17.6664 -17.6632 -17.2506 -17.2506 -14.5780 -14.5628 -14.4155 -14.4152 -10.9611 -10.9158 -9.9263 -9.8904 -9.7366 -9.6621 -8.0481 -8.0341 -7.8118 -7.7885 -7.7446 -7.7400 -2.9028 -2.8942 -1.9927 -1.9846 -1.4556 -1.4555 -1.2983 -1.2898 1.2369 1.2748 1.3015 1.3367 1.7158 1.7192 1.7392 1.7544 2.3560 2.3620 2.5323 2.5323 2.6202 2.6203 3.4639 3.4697 9.6893 9.6920 9.7128 9.7138 11.2565 11.2569 11.5101 11.5159 11.7930 11.7938 k = 0.2500 0.4330-0.0000 ( 4527 PWs) bands (ev): -28.0776 -28.0776 -24.3623 -24.3623 -17.6654 -17.6624 -17.2505 -17.2505 -14.5725 -14.5579 -14.4176 -14.4172 -10.9625 -10.9191 -9.9280 -9.8940 -9.7395 -9.6685 -8.0479 -8.0345 -7.8113 -7.7890 -7.7445 -7.7400 -2.9267 -2.9185 -1.9705 -1.9627 -1.4540 -1.4539 -1.3020 -1.2941 1.2383 1.2746 1.3018 1.3356 1.7168 1.7196 1.7555 1.7688 2.3714 2.3779 2.5352 2.5352 2.6189 2.6190 3.4778 3.4834 9.6673 9.6683 9.6984 9.7010 11.2513 11.2515 11.4799 11.4855 11.7736 11.7743 k = 0.2417 0.4186-0.0000 ( 4523 PWs) bands (ev): -28.0777 -28.0777 -24.3624 -24.3624 -17.6644 -17.6615 -17.2504 -17.2504 -14.5666 -14.5526 -14.4197 -14.4192 -10.9642 -10.9228 -9.9299 -9.8979 -9.7429 -9.6755 -8.0476 -8.0349 -7.8106 -7.7895 -7.7443 -7.7401 -2.9523 -2.9444 -1.9470 -1.9395 -1.4523 -1.4522 -1.3058 -1.2985 1.2398 1.2743 1.3023 1.3345 1.7177 1.7200 1.7747 1.7862 2.3873 2.3942 2.5383 2.5383 2.6176 2.6177 3.4931 3.4985 9.6165 9.6175 9.7080 9.7105 11.2536 11.2537 11.4494 11.4548 11.7505 11.7511 k = 0.2333 0.4041-0.0000 ( 4523 PWs) bands (ev): -28.0778 -28.0778 -24.3624 -24.3624 -17.6632 -17.6606 -17.2503 -17.2503 -14.5604 -14.5470 -14.4217 -14.4212 -10.9661 -10.9268 -9.9320 -9.9020 -9.7467 -9.6832 -8.0473 -8.0353 -7.8099 -7.7900 -7.7441 -7.7401 -2.9794 -2.9719 -1.9223 -1.9152 -1.4504 -1.4503 -1.3097 -1.3031 1.2414 1.2739 1.3029 1.3334 1.7185 1.7205 1.7970 1.8067 2.4036 2.4109 2.5416 2.5417 2.6164 2.6165 3.5097 3.5149 9.5610 9.5619 9.7181 9.7206 11.2629 11.2633 11.4187 11.4239 11.7239 11.7244 k = 0.2250 0.3897-0.0000 ( 4523 PWs) bands (ev): -28.0779 -28.0779 -24.3624 -24.3624 -17.6620 -17.6595 -17.2501 -17.2501 -14.5538 -14.5412 -14.4237 -14.4231 -10.9682 -10.9311 -9.9343 -9.9063 -9.7511 -9.6915 -8.0470 -8.0357 -7.8092 -7.7905 -7.7439 -7.7402 -3.0078 -3.0008 -1.8967 -1.8900 -1.4484 -1.4483 -1.3136 -1.3076 1.2430 1.2734 1.3036 1.3323 1.7193 1.7210 1.8221 1.8302 2.4200 2.4276 2.5452 2.5452 2.6152 2.6153 3.5275 3.5324 9.5014 9.5023 9.7285 9.7309 11.2789 11.2796 11.3878 11.3930 11.6944 11.6948 k = 0.2167 0.3753-0.0000 ( 4527 PWs) bands (ev): -28.0781 -28.0781 -24.3625 -24.3625 -17.6606 -17.6583 -17.2500 -17.2500 -14.5469 -14.5351 -14.4256 -14.4250 -10.9706 -10.9357 -9.9368 -9.9109 -9.7560 -9.7004 -8.0467 -8.0361 -7.8084 -7.7909 -7.7437 -7.7402 -3.0373 -3.0307 -1.8703 -1.8641 -1.4463 -1.4462 -1.3174 -1.3121 1.2446 1.2730 1.3044 1.3312 1.7200 1.7214 1.8502 1.8567 2.4364 2.4444 2.5489 2.5489 2.6141 2.6142 3.5464 3.5512 9.4386 9.4394 9.7393 9.7416 11.3007 11.3020 11.3570 11.3624 11.6622 11.6624 k = 0.2083 0.3608-0.0000 ( 4521 PWs) bands (ev): -28.0782 -28.0782 -24.3625 -24.3625 -17.6592 -17.6571 -17.2498 -17.2498 -14.5399 -14.5288 -14.4273 -14.4267 -10.9731 -10.9406 -9.9395 -9.9157 -9.7613 -9.7098 -8.0464 -8.0365 -7.8075 -7.7913 -7.7434 -7.7402 -3.0677 -3.0616 -1.8433 -1.8375 -1.4440 -1.4439 -1.3212 -1.3166 1.2462 1.2725 1.3052 1.3301 1.7207 1.7219 1.8810 1.8860 2.4529 2.4611 2.5527 2.5527 2.6131 2.6132 3.5665 3.5710 9.3732 9.3740 9.7502 9.7524 11.3222 11.3262 11.3300 11.3377 11.6277 11.6277 k = 0.2000 0.3464-0.0000 ( 4529 PWs) bands (ev): -28.0784 -28.0784 -24.3625 -24.3625 -17.6577 -17.6558 -17.2497 -17.2496 -14.5326 -14.5224 -14.4289 -14.4284 -10.9760 -10.9458 -9.9424 -9.9205 -9.7671 -9.7196 -8.0460 -8.0368 -7.8066 -7.7917 -7.7432 -7.7402 -3.0989 -3.0932 -1.8158 -1.8105 -1.4416 -1.4415 -1.3249 -1.3209 1.2479 1.2720 1.3060 1.3290 1.7214 1.7225 1.9144 1.9180 2.4691 2.4776 2.5567 2.5567 2.6122 2.6123 3.5875 3.5917 9.3059 9.3066 9.7611 9.7632 11.2959 11.2989 11.3626 11.3630 11.5912 11.5913 k = 0.1917 0.3320-0.0000 ( 4529 PWs) bands (ev): -28.0786 -28.0786 -24.3626 -24.3626 -17.6562 -17.6544 -17.2495 -17.2495 -14.5253 -14.5159 -14.4303 -14.4298 -10.9790 -10.9511 -9.9454 -9.9256 -9.7733 -9.7298 -8.0456 -8.0372 -7.8057 -7.7921 -7.7429 -7.7402 -3.1306 -3.1253 -1.7879 -1.7832 -1.4391 -1.4390 -1.3284 -1.3251 1.2495 1.2715 1.3068 1.3279 1.7220 1.7230 1.9502 1.9524 2.4852 2.4939 2.5607 2.5608 2.6115 2.6116 3.6094 3.6133 9.2374 9.2381 9.7721 9.7740 11.2659 11.2691 11.3993 11.3994 11.5530 11.5534 k = 0.1833 0.3175-0.0000 ( 4525 PWs) bands (ev): -28.0787 -28.0787 -24.3626 -24.3626 -17.6545 -17.6529 -17.2493 -17.2493 -14.5179 -14.5093 -14.4316 -14.4311 -10.9822 -10.9567 -9.9485 -9.9306 -9.7799 -9.7404 -8.0451 -8.0375 -7.8048 -7.7923 -7.7426 -7.7401 -3.1626 -3.1578 -1.7599 -1.7557 -1.4366 -1.4365 -1.3318 -1.3291 1.2511 1.2711 1.3076 1.3268 1.7227 1.7235 1.9881 1.9890 2.5009 2.5097 2.5649 2.5649 2.6109 2.6111 3.6320 3.6357 9.1683 9.1689 9.7828 9.7846 11.2365 11.2396 11.4394 11.4395 11.5137 11.5147 k = 0.1750 0.3031-0.0000 ( 4519 PWs) bands (ev): -28.0789 -28.0789 -24.3626 -24.3626 -17.6529 -17.6514 -17.2491 -17.2491 -14.5104 -14.5028 -14.4326 -14.4322 -10.9856 -10.9625 -9.9518 -9.9358 -9.7869 -9.7512 -8.0447 -8.0378 -7.8038 -7.7926 -7.7423 -7.7401 -3.1948 -3.1905 -1.7318 -1.7281 -1.4340 -1.4338 -1.3350 -1.3328 1.2527 1.2708 1.3084 1.3257 1.7233 1.7240 2.0276 2.0278 2.5163 2.5252 2.5691 2.5691 2.6105 2.6107 3.6553 3.6587 9.0991 9.0997 9.7934 9.7950 11.2078 11.2107 11.4686 11.4733 11.4828 11.4891 k = 0.1667 0.2887-0.0000 ( 4507 PWs) bands (ev): -28.0791 -28.0791 -24.3627 -24.3627 -17.6512 -17.6499 -17.2489 -17.2489 -14.5030 -14.4963 -14.4333 -14.4331 -10.9892 -10.9683 -9.9551 -9.9409 -9.7941 -9.7622 -8.0442 -8.0380 -7.8027 -7.7927 -7.7420 -7.7400 -3.2270 -3.2231 -1.7038 -1.7007 -1.4313 -1.4312 -1.3380 -1.3363 1.2543 1.2705 1.3091 1.3246 1.7239 1.7245 2.0679 2.0691 2.5313 2.5402 2.5733 2.5733 2.6103 2.6104 3.6791 3.6822 9.0303 9.0309 9.8035 9.8051 11.1799 11.1826 11.4322 11.4328 11.5281 11.5307 k = 0.1583 0.2742-0.0000 ( 4501 PWs) bands (ev): -28.0793 -28.0793 -24.3627 -24.3627 -17.6495 -17.6483 -17.2487 -17.2487 -14.4957 -14.4898 -14.4339 -14.4338 -10.9929 -10.9743 -9.9585 -9.9460 -9.8016 -9.7733 -8.0437 -8.0382 -7.8017 -7.7929 -7.7417 -7.7399 -3.2590 -3.2555 -1.6760 -1.6734 -1.4287 -1.4285 -1.3407 -1.3396 1.2559 1.2703 1.3097 1.3236 1.7245 1.7251 2.1095 2.1117 2.5457 2.5546 2.5774 2.5776 2.6102 2.6104 3.7033 3.7061 8.9624 8.9629 9.8133 9.8147 11.1529 11.1555 11.3917 11.3919 11.5751 11.5778 k = 0.1500 0.2598-0.0000 ( 4511 PWs) bands (ev): -28.0795 -28.0795 -24.3628 -24.3628 -17.6477 -17.6467 -17.2485 -17.2485 -14.4886 -14.4836 -14.4343 -14.4342 -10.9968 -10.9803 -9.9620 -9.9511 -9.8092 -9.7844 -8.0432 -8.0384 -7.8007 -7.7930 -7.7414 -7.7398 -3.2905 -3.2875 -1.6486 -1.6466 -1.4260 -1.4258 -1.3433 -1.3425 1.2574 1.2701 1.3104 1.3226 1.7251 1.7255 2.1521 2.1551 2.5597 2.5684 2.5816 2.5818 2.6103 2.6105 3.7276 3.7302 8.8957 8.8962 9.8225 9.8238 11.1271 11.1294 11.3511 11.3511 11.6230 11.6260 k = 0.1417 0.2454-0.0000 ( 4507 PWs) bands (ev): -28.0797 -28.0797 -24.3628 -24.3628 -17.6460 -17.6451 -17.2483 -17.2483 -14.4816 -14.4775 -14.4346 -14.4343 -11.0007 -10.9863 -9.9655 -9.9561 -9.8170 -9.7954 -8.0427 -8.0385 -7.7997 -7.7930 -7.7411 -7.7397 -3.3216 -3.3189 -1.6217 -1.6202 -1.4234 -1.4231 -1.3456 -1.3452 1.2589 1.2699 1.3109 1.3216 1.7257 1.7260 2.1954 2.1990 2.5730 2.5811 2.5857 2.5865 2.6106 2.6108 3.7521 3.7544 8.8306 8.8310 9.8312 9.8323 11.1024 11.1046 11.3107 11.3108 11.6711 11.6745 k = 0.1333 0.2309-0.0000 ( 4505 PWs) bands (ev): -28.0798 -28.0798 -24.3629 -24.3629 -17.6443 -17.6435 -17.2481 -17.2481 -14.4749 -14.4716 -14.4346 -14.4341 -11.0047 -10.9923 -9.9690 -9.9610 -9.8248 -9.8063 -8.0422 -8.0386 -7.7987 -7.7929 -7.7408 -7.7396 -3.3518 -3.3496 -1.5954 -1.5944 -1.4207 -1.4204 -1.3476 -1.3476 1.2603 1.2698 1.3115 1.3207 1.7262 1.7265 2.2389 2.2431 2.5857 2.5889 2.5898 2.5954 2.6111 2.6113 3.7765 3.7785 8.7674 8.7678 9.8392 9.8402 11.0790 11.0810 11.2710 11.2712 11.7184 11.7223 k = 0.1250 0.2165-0.0000 ( 4505 PWs) bands (ev): -28.0800 -28.0800 -24.3629 -24.3629 -17.6426 -17.6420 -17.2479 -17.2479 -14.4684 -14.4659 -14.4345 -14.4337 -11.0088 -10.9982 -9.9724 -9.9657 -9.8327 -9.8170 -8.0417 -8.0387 -7.7977 -7.7928 -7.7405 -7.7395 -3.3812 -3.3793 -1.5700 -1.5694 -1.4182 -1.4178 -1.3497 -1.3495 1.2617 1.2698 1.3120 1.3198 1.7267 1.7269 2.2824 2.2870 2.5931 2.5932 2.5982 2.6070 2.6117 2.6121 3.8007 3.8024 8.7065 8.7068 9.8465 9.8474 11.0571 11.0588 11.2323 11.2326 11.7642 11.7686 k = 0.1167 0.2021-0.0000 ( 4519 PWs) bands (ev): -28.0802 -28.0802 -24.3629 -24.3629 -17.6409 -17.6404 -17.2478 -17.2477 -14.4623 -14.4606 -14.4342 -14.4332 -11.0129 -11.0039 -9.9758 -9.9703 -9.8404 -9.8273 -8.0413 -8.0387 -7.7968 -7.7927 -7.7402 -7.7393 -3.4095 -3.4079 -1.5455 -1.5453 -1.4156 -1.4153 -1.3516 -1.3511 1.2630 1.2697 1.3124 1.3190 1.7271 1.7273 2.3254 2.3303 2.5969 2.5970 2.6088 2.6123 2.6137 2.6183 3.8244 3.8259 8.6481 8.6483 9.8531 9.8538 11.0366 11.0381 11.1948 11.1951 11.8078 11.8126 k = 0.1083 0.1876-0.0000 ( 4511 PWs) bands (ev): -28.0804 -28.0804 -24.3630 -24.3630 -17.6393 -17.6389 -17.2476 -17.2476 -14.4565 -14.4555 -14.4337 -14.4324 -11.0169 -11.0095 -9.9792 -9.9746 -9.8480 -9.8373 -8.0408 -8.0387 -7.7959 -7.7925 -7.7399 -7.7392 -3.4366 -3.4353 -1.5222 -1.5220 -1.4132 -1.4128 -1.3532 -1.3525 1.2642 1.2697 1.3129 1.3183 1.7276 1.7277 2.3674 2.3726 2.6005 2.6005 2.6128 2.6132 2.6216 2.6289 3.8476 3.8489 8.5924 8.5927 9.8589 9.8596 11.0176 11.0190 11.1588 11.1592 11.8483 11.8535 k = 0.1000 0.1732-0.0000 ( 4513 PWs) bands (ev): -28.0806 -28.0806 -24.3630 -24.3630 -17.6378 -17.6374 -17.2474 -17.2474 -14.4511 -14.4508 -14.4330 -14.4315 -11.0208 -11.0149 -9.9824 -9.9787 -9.8554 -9.8468 -8.0404 -8.0387 -7.7950 -7.7923 -7.7396 -7.7390 -3.4623 -3.4612 -1.5003 -1.4998 -1.4109 -1.4104 -1.3545 -1.3538 1.2652 1.2697 1.3133 1.3177 1.7280 1.7281 2.4082 2.4135 2.6038 2.6039 2.6140 2.6141 2.6317 2.6389 3.8700 3.8710 8.5398 8.5400 9.8640 9.8646 11.0001 11.0013 11.1245 11.1249 11.8856 11.8909 k = 0.0917 0.1588-0.0000 ( 4513 PWs) bands (ev): -28.0807 -28.0807 -24.3631 -24.3631 -17.6363 -17.6361 -17.2472 -17.2472 -14.4464 -14.4461 -14.4322 -14.4305 -11.0247 -11.0199 -9.9855 -9.9826 -9.8625 -9.8557 -8.0399 -8.0386 -7.7942 -7.7921 -7.7393 -7.7389 -3.4864 -3.4856 -1.4797 -1.4789 -1.4086 -1.4081 -1.3557 -1.3548 1.2662 1.2698 1.3137 1.3172 1.7283 1.7284 2.4474 2.4526 2.6070 2.6070 2.6151 2.6152 2.6414 2.6482 3.8915 3.8923 8.4904 8.4906 9.8685 9.8689 10.9842 10.9853 11.0922 11.0926 11.9194 11.9248 k = 0.0833 0.1443-0.0000 ( 4503 PWs) bands (ev): -28.0809 -28.0809 -24.3631 -24.3631 -17.6349 -17.6347 -17.2471 -17.2471 -14.4424 -14.4416 -14.4313 -14.4294 -11.0283 -11.0247 -9.9884 -9.9862 -9.8693 -9.8641 -8.0395 -8.0385 -7.7934 -7.7918 -7.7390 -7.7387 -3.5090 -3.5084 -1.4606 -1.4595 -1.4064 -1.4058 -1.3566 -1.3556 1.2671 1.2698 1.3141 1.3167 1.7287 1.7288 2.4844 2.4894 2.6099 2.6099 2.6162 2.6162 2.6506 2.6569 3.9118 3.9125 8.4445 8.4446 9.8722 9.8725 10.9698 10.9708 11.0621 11.0625 11.9500 11.9552 k = 0.0750 0.1299-0.0000 ( 4499 PWs) bands (ev): -28.0810 -28.0810 -24.3631 -24.3631 -17.6337 -17.6335 -17.2469 -17.2469 -14.4388 -14.4375 -14.4303 -14.4282 -11.0318 -11.0291 -9.9911 -9.9895 -9.8757 -9.8718 -8.0392 -8.0384 -7.7927 -7.7915 -7.7388 -7.7385 -3.5298 -3.5293 -1.4431 -1.4419 -1.4042 -1.4035 -1.3573 -1.3563 1.2678 1.2698 1.3144 1.3164 1.7290 1.7290 2.5189 2.5237 2.6125 2.6125 2.6173 2.6173 2.6593 2.6650 3.9309 3.9314 8.4023 8.4024 9.8753 9.8755 10.9570 10.9577 11.0343 11.0347 11.9778 11.9826 k = 0.0667 0.1155-0.0000 ( 4501 PWs) bands (ev): -28.0811 -28.0811 -24.3631 -24.3631 -17.6325 -17.6324 -17.2468 -17.2468 -14.4356 -14.4339 -14.4293 -14.4270 -11.0351 -11.0332 -9.9937 -9.9925 -9.8816 -9.8788 -8.0388 -8.0383 -7.7921 -7.7912 -7.7386 -7.7384 -3.5487 -3.5483 -1.4276 -1.4262 -1.4017 -1.4010 -1.3578 -1.3569 1.2684 1.2698 1.3148 1.3162 1.7293 1.7293 2.5506 2.5548 2.6149 2.6149 2.6184 2.6184 2.6676 2.6726 3.9484 3.9488 8.3639 8.3640 9.8778 9.8780 10.9456 10.9462 11.0091 11.0095 12.0030 12.0074 k = 0.0583 0.1010-0.0000 ( 4497 PWs) bands (ev): -28.0812 -28.0812 -24.3632 -24.3632 -17.6314 -17.6314 -17.2467 -17.2467 -14.4327 -14.4308 -14.4282 -14.4259 -11.0381 -11.0368 -9.9960 -9.9952 -9.8869 -9.8850 -8.0385 -8.0382 -7.7915 -7.7909 -7.7384 -7.7382 -3.5656 -3.5654 -1.4149 -1.4136 -1.3983 -1.3976 -1.3581 -1.3573 1.2689 1.2699 1.3151 1.3160 1.7295 1.7295 2.5788 2.5825 2.6169 2.6170 2.6195 2.6195 2.6756 2.6798 3.9644 3.9647 8.3296 8.3297 9.8798 9.8799 10.9355 10.9360 10.9866 10.9870 12.0261 12.0299 k = 0.0500 0.0866-0.0000 ( 4497 PWs) bands (ev): -28.0813 -28.0813 -24.3632 -24.3632 -17.6305 -17.6305 -17.2466 -17.2466 -14.4302 -14.4281 -14.4272 -14.4248 -11.0408 -11.0400 -9.9981 -9.9976 -9.8917 -9.8905 -8.0383 -8.0381 -7.7910 -7.7907 -7.7382 -7.7381 -3.5804 -3.5803 -1.4067 -1.4058 -1.3920 -1.3917 -1.3582 -1.3575 1.2693 1.2699 1.3153 1.3159 1.7297 1.7297 2.6032 2.6061 2.6188 2.6188 2.6205 2.6206 2.6834 2.6867 3.9786 3.9787 8.2995 8.2995 9.8813 9.8814 10.9267 10.9271 10.9672 10.9674 12.0470 12.0502 k = 0.0417 0.0722-0.0000 ( 4501 PWs) bands (ev): -28.0814 -28.0814 -24.3632 -24.3632 -17.6297 -17.6297 -17.2465 -17.2465 -14.4281 -14.4263 -14.4258 -14.4238 -11.0432 -11.0427 -9.9999 -9.9996 -9.8959 -9.8952 -8.0381 -8.0379 -7.7906 -7.7904 -7.7380 -7.7380 -3.5932 -3.5931 -1.4028 -1.4024 -1.3836 -1.3835 -1.3582 -1.3576 1.2695 1.2699 1.3156 1.3159 1.7299 1.7299 2.6200 2.6202 2.6211 2.6212 2.6238 2.6259 2.6912 2.6935 3.9908 3.9909 8.2738 8.2738 9.8825 9.8825 10.9190 10.9193 10.9509 10.9511 12.0657 12.0682 k = 0.0333 0.0577-0.0000 ( 4495 PWs) bands (ev): -28.0815 -28.0815 -24.3632 -24.3632 -17.6291 -17.6291 -17.2464 -17.2464 -14.4264 -14.4254 -14.4241 -14.4230 -11.0452 -11.0450 -10.0014 -10.0012 -9.8994 -9.8990 -8.0379 -8.0378 -7.7903 -7.7902 -7.7379 -7.7379 -3.6036 -3.6036 -1.4008 -1.4007 -1.3760 -1.3757 -1.3578 -1.3573 1.2698 1.2699 1.3157 1.3159 1.7300 1.7300 2.6215 2.6215 2.6221 2.6221 2.6393 2.6406 2.6989 2.7003 4.0010 4.0011 8.2525 8.2525 9.8833 9.8833 10.9122 10.9124 10.9379 10.9381 12.0815 12.0834 k = 0.0250 0.0433-0.0000 ( 4489 PWs) bands (ev): -28.0816 -28.0816 -24.3632 -24.3632 -17.6285 -17.6285 -17.2463 -17.2463 -14.4251 -14.4246 -14.4228 -14.4223 -11.0468 -11.0467 -10.0025 -10.0025 -9.9021 -9.9020 -8.0378 -8.0377 -7.7900 -7.7900 -7.7378 -7.7378 -3.6119 -3.6118 -1.3996 -1.3995 -1.3700 -1.3698 -1.3571 -1.3568 1.2699 1.2700 1.3159 1.3160 1.7301 1.7301 2.6224 2.6224 2.6228 2.6228 2.6505 2.6511 2.7061 2.7067 4.0090 4.0091 8.2359 8.2359 9.8839 9.8839 10.9064 10.9065 10.9284 10.9285 12.0936 12.0947 k = 0.0167 0.0289-0.0000 ( 4481 PWs) bands (ev): -28.0816 -28.0816 -24.3632 -24.3632 -17.6282 -17.6282 -17.2463 -17.2463 -14.4242 -14.4240 -14.4219 -14.4217 -11.0480 -11.0479 -10.0034 -10.0034 -9.9041 -9.9041 -8.0377 -8.0377 -7.7898 -7.7898 -7.7377 -7.7377 -3.6178 -3.6178 -1.3988 -1.3988 -1.3663 -1.3662 -1.3558 -1.3557 1.2700 1.2700 1.3160 1.3160 1.7302 1.7302 2.6231 2.6231 2.6233 2.6233 2.6579 2.6581 2.7119 2.7121 4.0149 4.0149 8.2240 8.2240 9.8843 9.8843 10.9017 10.9017 10.9222 10.9222 12.1005 12.1009 k = 0.0083 0.0144-0.0000 ( 4475 PWs) bands (ev): -28.0816 -28.0816 -24.3632 -24.3632 -17.6279 -17.6279 -17.2462 -17.2462 -14.4236 -14.4236 -14.4214 -14.4214 -11.0487 -11.0487 -10.0039 -10.0039 -9.9053 -9.9053 -8.0376 -8.0376 -7.7897 -7.7897 -7.7377 -7.7377 -3.6213 -3.6213 -1.3984 -1.3984 -1.3645 -1.3645 -1.3546 -1.3545 1.2700 1.2700 1.3160 1.3160 1.7303 1.7303 2.6235 2.6235 2.6236 2.6236 2.6619 2.6620 2.7158 2.7158 4.0184 4.0184 8.2168 8.2168 9.8845 9.8845 10.8986 10.8986 10.9187 10.9187 12.1026 12.1027 k = 0.0000 0.0000 0.0000 ( 4459 PWs) bands (ev): -28.0816 -28.0816 -24.3632 -24.3632 -17.6278 -17.6278 -17.2462 -17.2462 -14.4235 -14.4235 -14.4212 -14.4212 -11.0489 -11.0489 -10.0041 -10.0041 -9.9057 -9.9057 -8.0376 -8.0376 -7.7897 -7.7897 -7.7377 -7.7377 -3.6225 -3.6225 -1.3983 -1.3983 -1.3640 -1.3640 -1.3540 -1.3540 1.2701 1.2701 1.3161 1.3161 1.7303 1.7303 2.6236 2.6236 2.6237 2.6237 2.6632 2.6632 2.7171 2.7171 4.0195 4.0195 8.2144 8.2144 9.8846 9.8846 10.8975 10.8975 10.9176 10.9176 12.1028 12.1028 k = 0.0000 0.0000 0.0000 ( 4459 PWs) bands (ev): -28.0816 -28.0816 -24.3632 -24.3632 -17.6278 -17.6278 -17.2462 -17.2462 -14.4235 -14.4235 -14.4212 -14.4212 -11.0489 -11.0489 -10.0041 -10.0041 -9.9057 -9.9057 -8.0376 -8.0376 -7.7897 -7.7897 -7.7377 -7.7377 -3.6225 -3.6225 -1.3983 -1.3983 -1.3640 -1.3640 -1.3540 -1.3540 1.2701 1.2701 1.3161 1.3161 1.7303 1.7303 2.6236 2.6236 2.6237 2.6237 2.6632 2.6632 2.7171 2.7171 4.0195 4.0195 8.2144 8.2144 9.8846 9.8846 10.8975 10.8975 10.9176 10.9176 12.1028 12.1028 k = 0.0000 0.0000 0.0165 ( 4460 PWs) bands (ev): -28.0816 -28.0816 -24.3632 -24.3632 -17.6279 -17.6279 -17.2467 -17.2467 -14.4235 -14.4235 -14.4212 -14.4212 -11.0484 -11.0484 -10.0032 -10.0032 -9.9057 -9.9057 -8.0376 -8.0376 -7.7897 -7.7897 -7.7378 -7.7378 -3.6221 -3.6221 -1.3987 -1.3987 -1.3641 -1.3641 -1.3541 -1.3541 1.2697 1.2697 1.3157 1.3157 1.7274 1.7274 2.6237 2.6237 2.6237 2.6238 2.6632 2.6632 2.7171 2.7171 4.0195 4.0195 8.2169 8.2169 9.8837 9.8837 10.8978 10.8978 10.9174 10.9183 12.1020 12.1044 k = 0.0000 0.0000 0.0329 ( 4478 PWs) bands (ev): -28.0815 -28.0815 -24.3632 -24.3632 -17.6279 -17.6279 -17.2482 -17.2482 -14.4234 -14.4234 -14.4212 -14.4212 -11.0468 -11.0468 -10.0006 -10.0006 -9.9056 -9.9056 -8.0378 -8.0378 -7.7899 -7.7898 -7.7383 -7.7383 -3.6208 -3.6208 -1.3998 -1.3998 -1.3644 -1.3644 -1.3544 -1.3544 1.2688 1.2688 1.3147 1.3147 1.7187 1.7187 2.6239 2.6239 2.6239 2.6240 2.6631 2.6631 2.7170 2.7170 4.0196 4.0196 8.2245 8.2245 9.8811 9.8811 10.8988 10.8988 10.9179 10.9197 12.1019 12.1067 k = 0.0000 0.0000 0.0494 ( 4478 PWs) bands (ev): -28.0814 -28.0814 -24.3632 -24.3632 -17.6279 -17.6279 -17.2507 -17.2507 -14.4234 -14.4234 -14.4211 -14.4211 -11.0441 -11.0441 -9.9962 -9.9962 -9.9054 -9.9054 -8.0382 -8.0382 -7.7900 -7.7900 -7.7391 -7.7391 -3.6187 -3.6187 -1.4018 -1.4018 -1.3650 -1.3650 -1.3549 -1.3548 1.2672 1.2672 1.3130 1.3130 1.7043 1.7043 2.6243 2.6243 2.6243 2.6244 2.6629 2.6629 2.7169 2.7170 4.0196 4.0196 8.2371 8.2371 9.8768 9.8768 10.9004 10.9004 10.9191 10.9217 12.1023 12.1094 k = 0.0000 0.0000 0.0659 ( 4490 PWs) bands (ev): -28.0812 -28.0812 -24.3632 -24.3632 -17.6280 -17.6280 -17.2542 -17.2542 -14.4233 -14.4233 -14.4211 -14.4211 -11.0404 -11.0404 -9.9901 -9.9901 -9.9051 -9.9051 -8.0386 -8.0386 -7.7903 -7.7903 -7.7402 -7.7402 -3.6157 -3.6157 -1.4045 -1.4045 -1.3657 -1.3657 -1.3555 -1.3554 1.2650 1.2650 1.3107 1.3107 1.6844 1.6844 2.6248 2.6248 2.6248 2.6250 2.6627 2.6627 2.7168 2.7169 4.0196 4.0196 8.2546 8.2546 9.8710 9.8710 10.9027 10.9027 10.9209 10.9243 12.1032 12.1125 k = 0.0000 0.0000 0.0824 ( 4496 PWs) bands (ev): -28.0810 -28.0810 -24.3631 -24.3631 -17.6281 -17.6281 -17.2585 -17.2585 -14.4232 -14.4232 -14.4210 -14.4210 -11.0357 -11.0357 -9.9823 -9.9823 -9.9048 -9.9048 -8.0391 -8.0391 -7.7907 -7.7907 -7.7415 -7.7415 -3.6120 -3.6120 -1.4079 -1.4079 -1.3667 -1.3667 -1.3563 -1.3562 1.2622 1.2622 1.3077 1.3077 1.6591 1.6591 2.6254 2.6254 2.6255 2.6257 2.6625 2.6625 2.7167 2.7167 4.0197 4.0197 8.2769 8.2769 9.8636 9.8636 10.9057 10.9057 10.9234 10.9276 12.1043 12.1156 k = 0.0000 0.0000 0.0988 ( 4508 PWs) bands (ev): -28.0807 -28.0807 -24.3631 -24.3631 -17.6281 -17.6281 -17.2638 -17.2638 -14.4231 -14.4231 -14.4209 -14.4209 -11.0302 -11.0302 -9.9728 -9.9728 -9.9044 -9.9044 -8.0398 -8.0398 -7.7911 -7.7911 -7.7432 -7.7432 -3.6075 -3.6075 -1.4122 -1.4122 -1.3678 -1.3678 -1.3572 -1.3571 1.2588 1.2588 1.3041 1.3042 1.6288 1.6288 2.6262 2.6262 2.6263 2.6266 2.6621 2.6621 2.7166 2.7166 4.0198 4.0198 8.3039 8.3039 9.8549 9.8549 10.9093 10.9093 10.9266 10.9315 12.1052 12.1184 k = 0.0000 0.0000 0.1153 ( 4532 PWs) bands (ev): -28.0803 -28.0803 -24.3630 -24.3630 -17.6282 -17.6282 -17.2698 -17.2698 -14.4230 -14.4230 -14.4208 -14.4208 -11.0240 -11.0240 -9.9616 -9.9616 -9.9039 -9.9039 -8.0406 -8.0406 -7.7916 -7.7916 -7.7451 -7.7451 -3.6022 -3.6022 -1.4171 -1.4171 -1.3690 -1.3690 -1.3583 -1.3581 1.2549 1.2549 1.3000 1.3000 1.5937 1.5937 2.6271 2.6271 2.6272 2.6275 2.6618 2.6618 2.7164 2.7164 4.0198 4.0198 8.3355 8.3355 9.8449 9.8449 10.9137 10.9137 10.9305 10.9362 12.1057 12.1205 k = 0.0000 0.0000 0.1318 ( 4532 PWs) bands (ev): -28.0800 -28.0800 -24.3630 -24.3630 -17.6283 -17.6283 -17.2767 -17.2767 -14.4229 -14.4229 -14.4206 -14.4206 -11.0170 -11.0170 -9.9487 -9.9487 -9.9034 -9.9034 -8.0415 -8.0415 -7.7921 -7.7921 -7.7473 -7.7473 -3.5963 -3.5963 -1.4227 -1.4227 -1.3704 -1.3704 -1.3595 -1.3593 1.2505 1.2505 1.2953 1.2953 1.5543 1.5543 2.6281 2.6281 2.6283 2.6286 2.6614 2.6614 2.7162 2.7162 4.0199 4.0199 8.3714 8.3714 9.8340 9.8340 10.9188 10.9188 10.9352 10.9415 12.1055 12.1217 k = 0.0000 0.0000 0.1483 ( 4532 PWs) bands (ev): -28.0795 -28.0795 -24.3629 -24.3629 -17.6285 -17.6285 -17.2842 -17.2842 -14.4227 -14.4227 -14.4205 -14.4205 -11.0094 -11.0094 -9.9343 -9.9343 -9.9027 -9.9027 -8.0424 -8.0424 -7.7927 -7.7927 -7.7496 -7.7496 -3.5897 -3.5897 -1.4289 -1.4289 -1.3718 -1.3718 -1.3609 -1.3607 1.2456 1.2456 1.2901 1.2902 1.5108 1.5108 2.6292 2.6292 2.6295 2.6298 2.6610 2.6610 2.7160 2.7160 4.0200 4.0200 8.4114 8.4114 9.8222 9.8222 10.9246 10.9246 10.9407 10.9475 12.1043 12.1216 k = 0.0000 0.0000 0.1647 ( 4532 PWs) bands (ev): -28.0791 -28.0791 -24.3628 -24.3628 -17.6286 -17.6286 -17.2923 -17.2923 -14.4225 -14.4225 -14.4203 -14.4203 -11.0014 -11.0014 -9.9183 -9.9183 -9.9021 -9.9021 -8.0435 -8.0435 -7.7934 -7.7934 -7.7522 -7.7522 -3.5826 -3.5826 -1.4357 -1.4357 -1.3734 -1.3734 -1.3624 -1.3621 1.2402 1.2402 1.2845 1.2846 1.4638 1.4638 2.6304 2.6304 2.6307 2.6311 2.6605 2.6605 2.7158 2.7158 4.0201 4.0201 8.4553 8.4553 9.8099 9.8099 10.9312 10.9312 10.9469 10.9543 12.1019 12.1201 k = 0.0000 0.0000 0.1812 ( 4538 PWs) bands (ev): -28.0786 -28.0786 -24.3627 -24.3627 -17.6287 -17.6287 -17.3011 -17.3011 -14.4224 -14.4224 -14.4201 -14.4201 -10.9930 -10.9930 -9.9014 -9.9014 -9.9009 -9.9009 -8.0446 -8.0446 -7.7941 -7.7940 -7.7549 -7.7549 -3.5749 -3.5749 -1.4430 -1.4430 -1.3751 -1.3751 -1.3639 -1.3637 1.2344 1.2344 1.2785 1.2785 1.4136 1.4136 2.6317 2.6317 2.6321 2.6325 2.6601 2.6601 2.7155 2.7156 4.0202 4.0202 8.5028 8.5028 9.7972 9.7972 10.9386 10.9386 10.9539 10.9618 12.0982 12.1171 k = 0.0000 0.0000 0.1977 ( 4532 PWs) bands (ev): -28.0781 -28.0781 -24.3627 -24.3627 -17.6289 -17.6289 -17.3102 -17.3102 -14.4222 -14.4222 -14.4199 -14.4199 -10.9843 -10.9843 -9.9006 -9.9006 -9.8822 -9.8822 -8.0458 -8.0458 -7.7948 -7.7948 -7.7578 -7.7578 -3.5667 -3.5667 -1.4508 -1.4508 -1.3768 -1.3768 -1.3656 -1.3653 1.2281 1.2281 1.2722 1.2722 1.3610 1.3610 2.6330 2.6330 2.6335 2.6340 2.6596 2.6596 2.7153 2.7154 4.0204 4.0204 8.5536 8.5536 9.7846 9.7846 10.9467 10.9467 10.9616 10.9700 12.0931 12.1124 k = 0.0000 0.0000 0.2141 ( 4532 PWs) bands (ev): -28.0775 -28.0775 -24.3626 -24.3626 -17.6290 -17.6290 -17.3198 -17.3198 -14.4220 -14.4220 -14.4197 -14.4197 -10.9756 -10.9756 -9.8998 -9.8998 -9.8622 -9.8622 -8.0471 -8.0471 -7.7956 -7.7955 -7.7608 -7.7608 -3.5581 -3.5581 -1.4589 -1.4589 -1.3786 -1.3786 -1.3673 -1.3670 1.2211 1.2211 1.2655 1.2656 1.3065 1.3065 2.6344 2.6344 2.6350 2.6355 2.6591 2.6591 2.7151 2.7151 4.0205 4.0205 8.6072 8.6072 9.7722 9.7722 10.9555 10.9555 10.9702 10.9789 12.0866 12.1061 k = 0.0000 0.0000 0.2306 ( 4544 PWs) bands (ev): -28.0769 -28.0769 -24.3625 -24.3625 -17.6292 -17.6292 -17.3297 -17.3297 -14.4218 -14.4218 -14.4195 -14.4195 -10.9667 -10.9667 -9.8990 -9.8990 -9.8412 -9.8412 -8.0484 -8.0484 -7.7964 -7.7963 -7.7640 -7.7640 -3.5492 -3.5492 -1.4674 -1.4674 -1.3804 -1.3804 -1.3691 -1.3688 1.2118 1.2119 1.2524 1.2524 1.2587 1.2587 2.6359 2.6359 2.6366 2.6371 2.6587 2.6587 2.7148 2.7149 4.0206 4.0206 8.6633 8.6633 9.7604 9.7604 10.9650 10.9650 10.9795 10.9885 12.0787 12.0983 k = 0.0000 0.0000 0.2471 ( 4544 PWs) bands (ev): -28.0764 -28.0764 -24.3624 -24.3624 -17.6293 -17.6293 -17.3398 -17.3398 -14.4215 -14.4215 -14.4193 -14.4193 -10.9580 -10.9580 -9.8982 -9.8982 -9.8191 -9.8191 -8.0498 -8.0498 -7.7972 -7.7972 -7.7671 -7.7671 -3.5401 -3.5401 -1.4761 -1.4761 -1.3823 -1.3823 -1.3709 -1.3707 1.1829 1.1829 1.2166 1.2166 1.2516 1.2517 2.6373 2.6373 2.6382 2.6387 2.6582 2.6582 2.7146 2.7147 4.0208 4.0208 8.7214 8.7214 9.7497 9.7497 10.9752 10.9752 10.9895 10.9988 12.0694 12.0889 k = 0.0000 0.0000 0.2636 ( 4550 PWs) bands (ev): -28.0758 -28.0758 -24.3623 -24.3623 -17.6295 -17.6295 -17.3500 -17.3500 -14.4213 -14.4213 -14.4191 -14.4191 -10.9493 -10.9493 -9.8973 -9.8973 -9.7963 -9.7963 -8.0512 -8.0512 -7.7980 -7.7980 -7.7704 -7.7704 -3.5308 -3.5308 -1.4850 -1.4850 -1.3841 -1.3841 -1.3728 -1.3725 1.1281 1.1281 1.2059 1.2059 1.2445 1.2445 2.6389 2.6389 2.6398 2.6403 2.6577 2.6577 2.7144 2.7144 4.0209 4.0209 8.7809 8.7809 9.7407 9.7407 10.9860 10.9860 11.0002 11.0097 12.0590 12.0782 k = 0.0000 0.0000 0.2800 ( 4550 PWs) bands (ev): -28.0752 -28.0752 -24.3622 -24.3622 -17.6296 -17.6296 -17.3602 -17.3602 -14.4211 -14.4211 -14.4189 -14.4189 -10.9409 -10.9409 -9.8965 -9.8965 -9.7729 -9.7729 -8.0527 -8.0527 -7.7989 -7.7988 -7.7737 -7.7737 -3.5214 -3.5214 -1.4939 -1.4939 -1.3860 -1.3860 -1.3747 -1.3744 1.0699 1.0699 1.1982 1.1982 1.2373 1.2374 2.6404 2.6404 2.6414 2.6419 2.6573 2.6573 2.7141 2.7142 4.0210 4.0210 8.8410 8.8410 9.7337 9.7337 10.9974 10.9974 11.0115 11.0212 12.0474 12.0664 k = 0.0000 0.0000 0.2965 ( 4562 PWs) bands (ev): -28.0746 -28.0746 -24.3621 -24.3621 -17.6298 -17.6298 -17.3704 -17.3704 -14.4209 -14.4209 -14.4187 -14.4187 -10.9327 -10.9327 -9.8956 -9.8956 -9.7491 -9.7491 -8.0542 -8.0542 -7.7997 -7.7997 -7.7769 -7.7769 -3.5119 -3.5119 -1.5029 -1.5029 -1.3879 -1.3879 -1.3765 -1.3763 1.0115 1.0115 1.1911 1.1911 1.2301 1.2302 2.6419 2.6419 2.6431 2.6435 2.6569 2.6569 2.7139 2.7140 4.0212 4.0212 8.9008 8.9008 9.7296 9.7296 11.0094 11.0094 11.0234 11.0332 12.0349 12.0534 k = 0.0000 0.0000 0.3130 ( 4562 PWs) bands (ev): -28.0740 -28.0740 -24.3620 -24.3620 -17.6300 -17.6300 -17.3805 -17.3805 -14.4207 -14.4207 -14.4185 -14.4185 -10.9249 -10.9249 -9.8948 -9.8948 -9.7250 -9.7250 -8.0556 -8.0556 -7.8006 -7.8006 -7.7801 -7.7801 -3.5026 -3.5026 -1.5118 -1.5118 -1.3897 -1.3897 -1.3784 -1.3781 0.9537 0.9537 1.1842 1.1842 1.2230 1.2231 2.6433 2.6433 2.6447 2.6451 2.6564 2.6564 2.7137 2.7138 4.0213 4.0213 8.9595 8.9595 9.7293 9.7293 11.0217 11.0217 11.0357 11.0455 12.0216 12.0396 k = 0.0000 0.0000 0.3295 ( 4574 PWs) bands (ev): -28.0734 -28.0734 -24.3619 -24.3619 -17.6301 -17.6301 -17.3903 -17.3903 -14.4205 -14.4205 -14.4183 -14.4183 -10.9175 -10.9175 -9.8939 -9.8939 -9.7011 -9.7011 -8.0571 -8.0571 -7.8014 -7.8014 -7.7832 -7.7832 -3.4933 -3.4933 -1.5206 -1.5206 -1.3915 -1.3915 -1.3802 -1.3799 0.8969 0.8969 1.1775 1.1775 1.2161 1.2161 2.6448 2.6448 2.6462 2.6467 2.6560 2.6560 2.7135 2.7136 4.0214 4.0214 9.0156 9.0156 9.7336 9.7336 11.0344 11.0344 11.0485 11.0583 12.0076 12.0252 k = 0.0000 0.0000 0.3459 ( 4580 PWs) bands (ev): -28.0728 -28.0728 -24.3618 -24.3618 -17.6303 -17.6303 -17.3999 -17.3999 -14.4203 -14.4203 -14.4181 -14.4181 -10.9105 -10.9105 -9.8931 -9.8931 -9.6773 -9.6773 -8.0585 -8.0585 -7.8022 -7.8022 -7.7863 -7.7863 -3.4843 -3.4843 -1.5292 -1.5292 -1.3933 -1.3933 -1.3819 -1.3817 0.8419 0.8419 1.1711 1.1711 1.2093 1.2094 2.6462 2.6462 2.6477 2.6482 2.6557 2.6557 2.7133 2.7134 4.0216 4.0216 9.0679 9.0679 9.7437 9.7437 11.0473 11.0473 11.0616 11.0712 11.9933 12.0102 k = 0.0000 0.0000 0.3624 ( 4580 PWs) bands (ev): -28.0723 -28.0723 -24.3617 -24.3617 -17.6304 -17.6304 -17.4090 -17.4090 -14.4201 -14.4201 -14.4179 -14.4179 -10.9039 -10.9039 -9.8923 -9.8923 -9.6541 -9.6541 -8.0599 -8.0599 -7.8030 -7.8030 -7.7892 -7.7892 -3.4756 -3.4756 -1.5374 -1.5374 -1.3949 -1.3949 -1.3836 -1.3834 0.7889 0.7889 1.1649 1.1649 1.2028 1.2028 2.6476 2.6476 2.6492 2.6496 2.6553 2.6553 2.7132 2.7132 4.0217 4.0217 9.1151 9.1151 9.7605 9.7605 11.0603 11.0603 11.0748 11.0843 11.9788 11.9949 k = 0.0000 0.0000 0.3789 ( 4586 PWs) bands (ev): -28.0718 -28.0718 -24.3616 -24.3616 -17.6306 -17.6306 -17.4177 -17.4177 -14.4199 -14.4199 -14.4177 -14.4177 -10.8978 -10.8978 -9.8916 -9.8916 -9.6316 -9.6316 -8.0612 -8.0612 -7.8038 -7.8038 -7.7920 -7.7920 -3.4672 -3.4672 -1.5453 -1.5453 -1.3965 -1.3965 -1.3852 -1.3850 0.7384 0.7384 1.1590 1.1590 1.1966 1.1966 2.6488 2.6488 2.6506 2.6510 2.6550 2.6550 2.7130 2.7130 4.0218 4.0218 9.1558 9.1558 9.7848 9.7848 11.0733 11.0733 11.0881 11.0973 11.9642 11.9795 k = 0.0000 0.0000 0.3953 ( 4562 PWs) bands (ev): -28.0712 -28.0712 -24.3615 -24.3615 -17.6307 -17.6307 -17.4259 -17.4259 -14.4197 -14.4197 -14.4175 -14.4175 -10.8922 -10.8922 -9.8909 -9.8909 -9.6101 -9.6101 -8.0624 -8.0624 -7.8045 -7.8044 -7.7946 -7.7946 -3.4593 -3.4593 -1.5528 -1.5528 -1.3980 -1.3980 -1.3868 -1.3865 0.6909 0.6909 1.1535 1.1535 1.1908 1.1908 2.6501 2.6501 2.6519 2.6523 2.6547 2.6547 2.7129 2.7129 4.0219 4.0219 9.1896 9.1896 9.8166 9.8166 11.0862 11.0862 11.1013 11.1102 11.9498 11.9642 k = 0.0000 0.0000 0.4118 ( 4550 PWs) bands (ev): -28.0708 -28.0708 -24.3614 -24.3614 -17.6308 -17.6308 -17.4335 -17.4335 -14.4195 -14.4195 -14.4173 -14.4173 -10.8871 -10.8871 -9.8902 -9.8902 -9.5898 -9.5898 -8.0636 -8.0636 -7.8051 -7.8051 -7.7971 -7.7971 -3.4520 -3.4520 -1.5597 -1.5597 -1.3994 -1.3994 -1.3882 -1.3880 0.6467 0.6467 1.1484 1.1484 1.1853 1.1854 2.6512 2.6512 2.6531 2.6535 2.6544 2.6544 2.7127 2.7128 4.0221 4.0221 9.2163 9.2163 9.8554 9.8554 11.0987 11.0987 11.1141 11.1226 11.9358 11.9492 k = 0.0000 0.0000 0.4283 ( 4556 PWs) bands (ev): -28.0703 -28.0703 -24.3613 -24.3613 -17.6310 -17.6310 -17.4405 -17.4405 -14.4194 -14.4194 -14.4172 -14.4172 -10.8826 -10.8826 -9.8896 -9.8896 -9.5710 -9.5710 -8.0647 -8.0647 -7.8057 -7.8057 -7.7994 -7.7994 -3.4452 -3.4452 -1.5662 -1.5662 -1.4007 -1.4007 -1.3895 -1.3893 0.6061 0.6061 1.1437 1.1437 1.1803 1.1804 2.6522 2.6522 2.6542 2.6542 2.6543 2.6546 2.7126 2.7126 4.0222 4.0222 9.2366 9.2366 9.8998 9.8998 11.1106 11.1106 11.1266 11.1345 11.9224 11.9347 k = 0.0000 0.0000 0.4448 ( 4568 PWs) bands (ev): -28.0700 -28.0700 -24.3613 -24.3613 -17.6311 -17.6311 -17.4468 -17.4468 -14.4192 -14.4192 -14.4170 -14.4170 -10.8785 -10.8785 -9.8890 -9.8890 -9.5539 -9.5539 -8.0658 -8.0658 -7.8062 -7.8062 -7.8014 -7.8014 -3.4390 -3.4390 -1.5720 -1.5720 -1.4019 -1.4019 -1.3906 -1.3905 0.5695 0.5695 1.1394 1.1394 1.1758 1.1759 2.6531 2.6531 2.6539 2.6539 2.6553 2.6555 2.7125 2.7125 4.0222 4.0222 9.2515 9.2515 9.9477 9.9477 11.1218 11.1218 11.1384 11.1457 11.9099 11.9211 k = 0.0000 0.0000 0.4612 ( 4568 PWs) bands (ev): -28.0696 -28.0696 -24.3612 -24.3612 -17.6312 -17.6312 -17.4523 -17.4523 -14.4191 -14.4191 -14.4169 -14.4169 -10.8750 -10.8750 -9.8885 -9.8885 -9.5385 -9.5385 -8.0666 -8.0666 -7.8067 -7.8067 -7.8032 -7.8032 -3.4336 -3.4336 -1.5771 -1.5771 -1.4029 -1.4029 -1.3917 -1.3915 0.5372 0.5372 1.1357 1.1357 1.1718 1.1719 2.6537 2.6537 2.6540 2.6540 2.6562 2.6564 2.7124 2.7124 4.0223 4.0223 9.2619 9.2619 9.9968 9.9968 11.1322 11.1322 11.1493 11.1558 11.8986 11.9084 k = 0.0000 0.0000 0.4777 ( 4568 PWs) bands (ev): -28.0693 -28.0693 -24.3612 -24.3612 -17.6312 -17.6312 -17.4571 -17.4571 -14.4190 -14.4190 -14.4168 -14.4168 -10.8721 -10.8721 -9.8881 -9.8881 -9.5252 -9.5252 -8.0674 -8.0674 -7.8071 -7.8071 -7.8048 -7.8048 -3.4289 -3.4289 -1.5815 -1.5815 -1.4038 -1.4038 -1.3926 -1.3924 0.5094 0.5094 1.1324 1.1324 1.1684 1.1684 2.6536 2.6536 2.6547 2.6547 2.6569 2.6571 2.7124 2.7124 4.0224 4.0224 9.2691 9.2691 10.0446 10.0446 11.1413 11.1413 11.1591 11.1648 11.8886 11.8970 k = 0.0000 0.0000 0.4942 ( 4562 PWs) bands (ev): -28.0691 -28.0691 -24.3611 -24.3611 -17.6313 -17.6313 -17.4610 -17.4610 -14.4189 -14.4189 -14.4167 -14.4167 -10.8696 -10.8696 -9.8877 -9.8877 -9.5141 -9.5141 -8.0681 -8.0681 -7.8075 -7.8075 -7.8061 -7.8061 -3.4250 -3.4250 -1.5852 -1.5852 -1.4045 -1.4045 -1.3933 -1.3932 0.4864 0.4864 1.1298 1.1298 1.1656 1.1656 2.6535 2.6535 2.6552 2.6552 2.6576 2.6577 2.7123 2.7123 4.0224 4.0224 9.2739 9.2739 10.0887 10.0887 11.1492 11.1492 11.1677 11.1724 11.8803 11.8852 k = 0.0000 0.0000 0.5107 ( 4568 PWs) bands (ev): -28.0689 -28.0689 -24.3611 -24.3611 -17.6314 -17.6314 -17.4641 -17.4641 -14.4188 -14.4188 -14.4167 -14.4167 -10.8678 -10.8678 -9.8875 -9.8875 -9.5054 -9.5054 -8.0686 -8.0686 -7.8078 -7.8077 -7.8071 -7.8071 -3.4219 -3.4219 -1.5881 -1.5881 -1.4051 -1.4051 -1.3939 -1.3938 0.4682 0.4682 1.1277 1.1277 1.1634 1.1634 2.6534 2.6534 2.6557 2.6557 2.6581 2.6582 2.7123 2.7123 4.0225 4.0225 9.2770 9.2770 10.1263 10.1263 11.1555 11.1555 11.1747 11.1784 11.8435 11.8435 k = 0.0000 0.0000 0.5271 ( 4568 PWs) bands (ev): -28.0688 -28.0688 -24.3611 -24.3611 -17.6314 -17.6314 -17.4663 -17.4663 -14.4188 -14.4188 -14.4166 -14.4166 -10.8664 -10.8664 -9.8873 -9.8873 -9.4990 -9.4990 -8.0689 -8.0689 -7.8079 -7.8079 -7.8078 -7.8078 -3.4197 -3.4197 -1.5902 -1.5902 -1.4055 -1.4055 -1.3943 -1.3942 0.4552 0.4552 1.1262 1.1262 1.1618 1.1618 2.6533 2.6533 2.6560 2.6560 2.6585 2.6585 2.7122 2.7122 4.0225 4.0225 9.2789 9.2789 10.1553 10.1553 11.1602 11.1602 11.1801 11.1826 11.8116 11.8116 k = 0.0000 0.0000 0.5436 ( 4562 PWs) bands (ev): -28.0687 -28.0687 -24.3611 -24.3611 -17.6314 -17.6314 -17.4677 -17.4677 -14.4187 -14.4187 -14.4166 -14.4166 -10.8656 -10.8656 -9.8872 -9.8872 -9.4952 -9.4952 -8.0692 -8.0692 -7.8082 -7.8082 -7.8081 -7.8081 -3.4183 -3.4183 -1.5914 -1.5914 -1.4057 -1.4057 -1.3945 -1.3945 0.4473 0.4473 1.1252 1.1252 1.1608 1.1608 2.6532 2.6532 2.6562 2.6562 2.6587 2.6587 2.7122 2.7122 4.0225 4.0225 9.2799 9.2799 10.1736 10.1736 11.1630 11.1630 11.1836 11.1849 11.7917 11.7917 k = 0.0000 0.0000 0.5601 ( 4556 PWs) bands (ev): -28.0686 -28.0686 -24.3610 -24.3610 -17.6314 -17.6314 -17.4681 -17.4681 -14.4187 -14.4187 -14.4166 -14.4166 -10.8653 -10.8653 -9.8871 -9.8871 -9.4939 -9.4939 -8.0692 -8.0692 -7.8084 -7.8084 -7.8081 -7.8081 -3.4179 -3.4179 -1.5919 -1.5919 -1.4058 -1.4058 -1.3946 -1.3946 0.4447 0.4447 1.1249 1.1249 1.1605 1.1605 2.6532 2.6532 2.6563 2.6563 2.6588 2.6588 2.7122 2.7122 4.0225 4.0225 9.2802 9.2802 10.1799 10.1799 11.1640 11.1640 11.1853 11.1853 11.7849 11.7849 k = 0.0000 0.0000 0.5601 ( 4556 PWs) bands (ev): -28.0686 -28.0686 -24.3610 -24.3610 -17.6314 -17.6314 -17.4681 -17.4681 -14.4187 -14.4187 -14.4166 -14.4166 -10.8653 -10.8653 -9.8871 -9.8871 -9.4939 -9.4939 -8.0692 -8.0692 -7.8084 -7.8084 -7.8081 -7.8081 -3.4179 -3.4179 -1.5919 -1.5919 -1.4058 -1.4058 -1.3946 -1.3946 0.4447 0.4447 1.1249 1.1249 1.1605 1.1605 2.6532 2.6532 2.6563 2.6563 2.6588 2.6588 2.7122 2.7122 4.0225 4.0225 9.2802 9.2802 10.1799 10.1799 11.1640 11.1640 11.1853 11.1853 11.7849 11.7849 k = 0.0143 0.0082 0.5601 ( 4560 PWs) bands (ev): -28.0686 -28.0686 -24.3610 -24.3610 -17.6315 -17.6315 -17.4681 -17.4681 -14.4189 -14.4189 -14.4167 -14.4167 -10.8650 -10.8650 -9.8867 -9.8867 -9.4938 -9.4938 -8.0692 -8.0692 -7.8083 -7.8083 -7.8081 -7.8081 -3.4170 -3.4170 -1.5918 -1.5918 -1.4062 -1.4062 -1.3950 -1.3950 0.4447 0.4447 1.1250 1.1250 1.1605 1.1605 2.6520 2.6520 2.6560 2.6560 2.6585 2.6585 2.7110 2.7110 4.0214 4.0214 9.2816 9.2816 10.1812 10.1812 11.1649 11.1649 11.1861 11.1861 11.7792 11.7792 k = 0.0286 0.0165 0.5601 ( 4562 PWs) bands (ev): -28.0686 -28.0686 -24.3610 -24.3610 -17.6317 -17.6317 -17.4681 -17.4681 -14.4194 -14.4194 -14.4172 -14.4172 -10.8641 -10.8641 -9.8856 -9.8856 -9.4936 -9.4936 -8.0690 -8.0690 -7.8081 -7.8081 -7.8080 -7.8080 -3.4145 -3.4145 -1.5918 -1.5918 -1.4075 -1.4075 -1.3959 -1.3959 0.4447 0.4447 1.1252 1.1252 1.1607 1.1607 2.6484 2.6484 2.6546 2.6546 2.6582 2.6582 2.7075 2.7075 4.0179 4.0179 9.2856 9.2856 10.1851 10.1851 11.1676 11.1676 11.1888 11.1888 11.7663 11.7663 k = 0.0429 0.0247 0.5601 ( 4550 PWs) bands (ev): -28.0686 -28.0686 -24.3610 -24.3610 -17.6320 -17.6320 -17.4682 -17.4682 -14.4203 -14.4203 -14.4179 -14.4179 -10.8626 -10.8626 -9.8837 -9.8837 -9.4932 -9.4932 -8.0688 -8.0688 -7.8081 -7.8081 -7.8074 -7.8074 -3.4104 -3.4104 -1.5917 -1.5917 -1.4103 -1.4103 -1.3970 -1.3970 0.4446 0.4446 1.1255 1.1255 1.1610 1.1610 2.6419 2.6419 2.6518 2.6518 2.6581 2.6581 2.7020 2.7020 4.0121 4.0121 9.2924 9.2924 10.1916 10.1916 11.1721 11.1721 11.1933 11.1933 11.7517 11.7517 k = 0.0571 0.0330 0.5601 ( 4546 PWs) bands (ev): -28.0685 -28.0685 -24.3610 -24.3610 -17.6324 -17.6324 -17.4682 -17.4682 -14.4215 -14.4215 -14.4188 -14.4188 -10.8605 -10.8605 -9.8811 -9.8811 -9.4927 -9.4927 -8.0685 -8.0685 -7.8082 -7.8082 -7.8067 -7.8067 -3.4046 -3.4046 -1.5916 -1.5916 -1.4149 -1.4149 -1.3976 -1.3976 0.4446 0.4446 1.1259 1.1259 1.1614 1.1614 2.6321 2.6321 2.6477 2.6477 2.6582 2.6582 2.6952 2.6952 4.0041 4.0041 9.3017 9.3017 10.2007 10.2007 11.1783 11.1783 11.1995 11.1995 11.7380 11.7380 k = 0.0714 0.0412 0.5601 ( 4546 PWs) bands (ev): -28.0684 -28.0684 -24.3610 -24.3610 -17.6329 -17.6329 -17.4683 -17.4683 -14.4232 -14.4232 -14.4200 -14.4200 -10.8579 -10.8579 -9.8777 -9.8777 -9.4920 -9.4920 -8.0680 -8.0680 -7.8082 -7.8082 -7.8058 -7.8058 -3.3971 -3.3971 -1.5914 -1.5914 -1.4214 -1.4214 -1.3978 -1.3978 0.4445 0.4445 1.1264 1.1264 1.1619 1.1619 2.6186 2.6186 2.6424 2.6424 2.6584 2.6584 2.6877 2.6877 3.9940 3.9940 9.3136 9.3136 10.2124 10.2124 11.1864 11.1864 11.2074 11.2074 11.7262 11.7262 k = 0.0857 0.0495 0.5601 ( 4548 PWs) bands (ev): -28.0684 -28.0684 -24.3609 -24.3609 -17.6335 -17.6335 -17.4684 -17.4684 -14.4253 -14.4253 -14.4213 -14.4213 -10.8547 -10.8547 -9.8737 -9.8737 -9.4912 -9.4912 -8.0676 -8.0676 -7.8083 -7.8083 -7.8047 -7.8047 -3.3881 -3.3881 -1.5911 -1.5911 -1.4296 -1.4296 -1.3977 -1.3977 0.4444 0.4444 1.1269 1.1269 1.1625 1.1625 2.6009 2.6009 2.6361 2.6361 2.6587 2.6587 2.6800 2.6800 3.9818 3.9818 9.3278 9.3278 10.2267 10.2267 11.1961 11.1961 11.2170 11.2170 11.7169 11.7169 k = 0.1000 0.0577 0.5601 ( 4552 PWs) bands (ev): -28.0683 -28.0683 -24.3609 -24.3609 -17.6343 -17.6343 -17.4685 -17.4685 -14.4277 -14.4277 -14.4228 -14.4228 -10.8509 -10.8509 -9.8690 -9.8690 -9.4902 -9.4902 -8.0670 -8.0670 -7.8084 -7.8084 -7.8034 -7.8034 -3.3776 -3.3776 -1.5909 -1.5909 -1.4393 -1.4393 -1.3974 -1.3974 0.4443 0.4443 1.1275 1.1275 1.1631 1.1631 2.5792 2.5792 2.6288 2.6288 2.6590 2.6590 2.6723 2.6723 3.9677 3.9677 9.3444 9.3444 10.2435 10.2435 11.2076 11.2076 11.2284 11.2284 11.7101 11.7101 k = 0.1143 0.0660 0.5601 ( 4552 PWs) bands (ev): -28.0682 -28.0682 -24.3609 -24.3609 -17.6351 -17.6351 -17.4686 -17.4686 -14.4305 -14.4305 -14.4245 -14.4245 -10.8467 -10.8467 -9.8637 -9.8637 -9.4891 -9.4891 -8.0664 -8.0664 -7.8085 -7.8085 -7.8020 -7.8020 -3.3656 -3.3656 -1.5905 -1.5905 -1.4505 -1.4505 -1.3969 -1.3969 0.4441 0.4441 1.1281 1.1281 1.1638 1.1638 2.5537 2.5537 2.6206 2.6206 2.6590 2.6590 2.6649 2.6649 3.9519 3.9519 9.3631 9.3631 10.2628 10.2628 11.2207 11.2207 11.2413 11.2413 11.7060 11.7060 k = 0.1286 0.0742 0.5601 ( 4552 PWs) bands (ev): -28.0680 -28.0680 -24.3608 -24.3608 -17.6360 -17.6360 -17.4688 -17.4688 -14.4336 -14.4336 -14.4263 -14.4263 -10.8421 -10.8421 -9.8578 -9.8578 -9.4879 -9.4879 -8.0658 -8.0658 -7.8086 -7.8086 -7.8004 -7.8004 -3.3522 -3.3522 -1.5901 -1.5901 -1.4628 -1.4628 -1.3963 -1.3963 0.4440 0.4440 1.1287 1.1287 1.1646 1.1646 2.5247 2.5247 2.6117 2.6117 2.6553 2.6553 2.6611 2.6611 3.9344 3.9344 9.3837 9.3837 10.2847 10.2847 11.2354 11.2354 11.2558 11.2558 11.7045 11.7045 k = 0.1429 0.0825 0.5601 ( 4556 PWs) bands (ev): -28.0679 -28.0679 -24.3608 -24.3608 -17.6371 -17.6371 -17.4689 -17.4689 -14.4370 -14.4370 -14.4283 -14.4283 -10.8370 -10.8370 -9.8514 -9.8514 -9.4865 -9.4865 -8.0651 -8.0651 -7.8088 -7.8088 -7.7987 -7.7987 -3.3374 -3.3374 -1.5896 -1.5896 -1.4763 -1.4763 -1.3956 -1.3956 0.4438 0.4438 1.1293 1.1293 1.1653 1.1653 2.4925 2.4925 2.6022 2.6022 2.6476 2.6476 2.6612 2.6612 3.9156 3.9156 9.4061 9.4061 10.3090 10.3090 11.2517 11.2517 11.2719 11.2719 11.7056 11.7056 k = 0.1571 0.0907 0.5601 ( 4540 PWs) bands (ev): -28.0678 -28.0678 -24.3607 -24.3607 -17.6381 -17.6381 -17.4691 -17.4691 -14.4406 -14.4406 -14.4304 -14.4304 -10.8316 -10.8316 -9.8444 -9.8444 -9.4851 -9.4851 -8.0643 -8.0643 -7.8089 -7.8089 -7.7968 -7.7968 -3.3213 -3.3213 -1.5890 -1.5890 -1.4909 -1.4909 -1.3948 -1.3948 0.4436 0.4436 1.1298 1.1298 1.1659 1.1659 2.4576 2.4576 2.5921 2.5921 2.6393 2.6393 2.6617 2.6617 3.8954 3.8954 9.4301 9.4301 10.3357 10.3357 11.2695 11.2695 11.2895 11.2895 11.7093 11.7093 k = 0.1714 0.0990 0.5601 ( 4536 PWs) bands (ev): -28.0676 -28.0676 -24.3607 -24.3607 -17.6393 -17.6393 -17.4692 -17.4692 -14.4445 -14.4445 -14.4326 -14.4326 -10.8258 -10.8258 -9.8370 -9.8370 -9.4835 -9.4835 -8.0636 -8.0636 -7.8090 -7.8090 -7.7949 -7.7949 -3.3041 -3.3041 -1.5884 -1.5884 -1.5062 -1.5062 -1.3940 -1.3940 0.4434 0.4434 1.1303 1.1303 1.1665 1.1665 2.4202 2.4202 2.5817 2.5817 2.6307 2.6307 2.6623 2.6623 3.8742 3.8742 9.4554 9.4554 10.3647 10.3647 11.2888 11.2888 11.3085 11.3085 11.7153 11.7153 k = 0.1857 0.1072 0.5601 ( 4540 PWs) bands (ev): -28.0674 -28.0674 -24.3606 -24.3606 -17.6405 -17.6405 -17.4694 -17.4694 -14.4486 -14.4486 -14.4349 -14.4349 -10.8198 -10.8198 -9.8292 -9.8292 -9.4818 -9.4818 -8.0629 -8.0629 -7.8092 -7.8092 -7.7929 -7.7929 -3.2857 -3.2857 -1.5876 -1.5876 -1.5224 -1.5224 -1.3931 -1.3931 0.4431 0.4431 1.1307 1.1307 1.1670 1.1670 2.3807 2.3807 2.5710 2.5710 2.6218 2.6218 2.6630 2.6630 3.8521 3.8521 9.4819 9.4819 10.3959 10.3959 11.3094 11.3094 11.3289 11.3289 11.7237 11.7237 k = 0.2000 0.1155 0.5601 ( 4536 PWs) bands (ev): -28.0673 -28.0673 -24.3606 -24.3606 -17.6417 -17.6417 -17.4696 -17.4696 -14.4528 -14.4528 -14.4373 -14.4373 -10.8135 -10.8135 -9.8211 -9.8211 -9.4800 -9.4800 -8.0621 -8.0621 -7.8093 -7.8093 -7.7909 -7.7909 -3.2664 -3.2664 -1.5868 -1.5868 -1.5391 -1.5391 -1.3922 -1.3922 0.4429 0.4429 1.1311 1.1311 1.1673 1.1673 2.3395 2.3395 2.5602 2.5602 2.6127 2.6127 2.6637 2.6637 3.8294 3.8294 9.5093 9.5093 10.4291 10.4291 11.3314 11.3314 11.3506 11.3506 11.7341 11.7341 k = 0.2143 0.1237 0.5601 ( 4528 PWs) bands (ev): -28.0671 -28.0671 -24.3605 -24.3605 -17.6430 -17.6430 -17.4698 -17.4698 -14.4571 -14.4571 -14.4398 -14.4398 -10.8071 -10.8071 -9.8128 -9.8128 -9.4782 -9.4782 -8.0614 -8.0614 -7.8095 -7.8095 -7.7888 -7.7888 -3.2463 -3.2463 -1.5860 -1.5860 -1.5562 -1.5562 -1.3913 -1.3913 0.4426 0.4426 1.1313 1.1313 1.1675 1.1675 2.2969 2.2969 2.5494 2.5494 2.6034 2.6034 2.6644 2.6644 3.8062 3.8062 9.5375 9.5375 10.4643 10.4643 11.3547 11.3547 11.3736 11.3736 11.7465 11.7465 k = 0.2286 0.1320 0.5601 ( 4528 PWs) bands (ev): -28.0669 -28.0669 -24.3605 -24.3605 -17.6443 -17.6443 -17.4700 -17.4700 -14.4615 -14.4615 -14.4423 -14.4423 -10.8006 -10.8006 -9.8042 -9.8042 -9.4763 -9.4763 -8.0607 -8.0607 -7.8096 -7.8096 -7.7867 -7.7867 -3.2254 -3.2254 -1.5855 -1.5855 -1.5732 -1.5732 -1.3904 -1.3904 0.4423 0.4423 1.1314 1.1314 1.1675 1.1675 2.2533 2.2533 2.5386 2.5386 2.5941 2.5941 2.6652 2.6652 3.7826 3.7826 9.5660 9.5660 10.5012 10.5012 11.3790 11.3790 11.3979 11.3979 11.7607 11.7607 k = 0.2429 0.1402 0.5601 ( 4524 PWs) bands (ev): -28.0668 -28.0668 -24.3604 -24.3604 -17.6456 -17.6456 -17.4702 -17.4702 -14.4660 -14.4660 -14.4448 -14.4448 -10.7939 -10.7939 -9.7955 -9.7955 -9.4743 -9.4743 -8.0600 -8.0600 -7.8098 -7.8098 -7.7846 -7.7846 -3.2040 -3.2040 -1.5929 -1.5929 -1.5824 -1.5824 -1.3894 -1.3894 0.4420 0.4420 1.1315 1.1315 1.1672 1.1672 2.2089 2.2089 2.5281 2.5281 2.5847 2.5847 2.6660 2.6660 3.7590 3.7590 9.5949 9.5949 10.5395 10.5395 11.4043 11.4043 11.4234 11.4234 11.7766 11.7766 k = 0.2571 0.1485 0.5601 ( 4524 PWs) bands (ev): -28.0666 -28.0666 -24.3603 -24.3603 -17.6470 -17.6470 -17.4703 -17.4703 -14.4704 -14.4704 -14.4474 -14.4474 -10.7873 -10.7873 -9.7867 -9.7867 -9.4723 -9.4723 -8.0593 -8.0593 -7.8100 -7.8100 -7.7826 -7.7826 -3.1821 -3.1821 -1.6100 -1.6100 -1.5819 -1.5819 -1.3885 -1.3885 0.4417 0.4417 1.1314 1.1314 1.1668 1.1668 2.1642 2.1642 2.5179 2.5179 2.5753 2.5753 2.6668 2.6668 3.7355 3.7355 9.6237 9.6237 10.5790 10.5790 11.4304 11.4304 11.4501 11.4501 11.7938 11.7938 k = 0.2714 0.1567 0.5601 ( 4528 PWs) bands (ev): -28.0664 -28.0664 -24.3603 -24.3603 -17.6483 -17.6483 -17.4705 -17.4705 -14.4748 -14.4748 -14.4499 -14.4499 -10.7807 -10.7807 -9.7780 -9.7780 -9.4703 -9.4703 -8.0587 -8.0587 -7.8102 -7.8102 -7.7806 -7.7806 -3.1600 -3.1600 -1.6275 -1.6275 -1.5808 -1.5808 -1.3876 -1.3876 0.4413 0.4413 1.1312 1.1312 1.1662 1.1662 2.1195 2.1195 2.5080 2.5080 2.5661 2.5661 2.6675 2.6675 3.7123 3.7123 9.6523 9.6523 10.6195 10.6195 11.4570 11.4570 11.4782 11.4782 11.8123 11.8123 k = 0.2857 0.1650 0.5601 ( 4544 PWs) bands (ev): -28.0662 -28.0662 -24.3602 -24.3602 -17.6496 -17.6496 -17.4707 -17.4707 -14.4792 -14.4792 -14.4524 -14.4524 -10.7742 -10.7742 -9.7693 -9.7693 -9.4683 -9.4683 -8.0582 -8.0582 -7.8104 -7.8104 -7.7786 -7.7786 -3.1378 -3.1378 -1.6449 -1.6449 -1.5795 -1.5795 -1.3867 -1.3867 0.4409 0.4409 1.1308 1.1308 1.1653 1.1653 2.0752 2.0752 2.4986 2.4986 2.5569 2.5569 2.6683 2.6683 3.6895 3.6895 9.6805 9.6805 10.6604 10.6604 11.4838 11.4838 11.5076 11.5076 11.8319 11.8319 k = 0.3000 0.1732 0.5601 ( 4548 PWs) bands (ev): -28.0661 -28.0661 -24.3602 -24.3602 -17.6509 -17.6509 -17.4709 -17.4709 -14.4835 -14.4835 -14.4548 -14.4548 -10.7678 -10.7678 -9.7608 -9.7608 -9.4662 -9.4662 -8.0576 -8.0576 -7.8105 -7.8105 -7.7767 -7.7767 -3.1156 -3.1156 -1.6619 -1.6619 -1.5782 -1.5782 -1.3859 -1.3859 0.4405 0.4405 1.1302 1.1302 1.1644 1.1644 2.0316 2.0316 2.4897 2.4897 2.5481 2.5481 2.6690 2.6690 3.6674 3.6674 9.7081 9.7081 10.7016 10.7016 11.5106 11.5106 11.5384 11.5384 11.8522 11.8522 k = 0.3143 0.1815 0.5601 ( 4540 PWs) bands (ev): -28.0659 -28.0659 -24.3601 -24.3601 -17.6521 -17.6521 -17.4711 -17.4711 -14.4876 -14.4876 -14.4572 -14.4572 -10.7617 -10.7617 -9.7525 -9.7525 -9.4642 -9.4642 -8.0571 -8.0571 -7.8107 -7.8107 -7.7749 -7.7749 -3.0938 -3.0938 -1.6784 -1.6784 -1.5768 -1.5768 -1.3851 -1.3851 0.4401 0.4401 1.1296 1.1296 1.1634 1.1634 1.9891 1.9891 2.4814 2.4814 2.5395 2.5395 2.6698 2.6698 3.6460 3.6460 9.7348 9.7348 10.7425 10.7425 11.5371 11.5371 11.5705 11.5705 11.8731 11.8731 k = 0.3286 0.1897 0.5601 ( 4534 PWs) bands (ev): -28.0657 -28.0657 -24.3601 -24.3601 -17.6533 -17.6533 -17.4713 -17.4713 -14.4916 -14.4916 -14.4594 -14.4594 -10.7558 -10.7558 -9.7445 -9.7445 -9.4623 -9.4623 -8.0567 -8.0567 -7.8108 -7.8108 -7.7733 -7.7733 -3.0725 -3.0725 -1.6943 -1.6943 -1.5754 -1.5754 -1.3843 -1.3843 0.4397 0.4397 1.1287 1.1287 1.1623 1.1623 1.9480 1.9480 2.4737 2.4737 2.5313 2.5313 2.6705 2.6705 3.6256 3.6256 9.7605 9.7605 10.7828 10.7828 11.5632 11.5632 11.6036 11.6036 11.8944 11.8944 k = 0.3429 0.1979 0.5601 ( 4542 PWs) bands (ev): -28.0656 -28.0656 -24.3600 -24.3600 -17.6545 -17.6545 -17.4715 -17.4715 -14.4954 -14.4954 -14.4616 -14.4616 -10.7501 -10.7501 -9.7369 -9.7369 -9.4604 -9.4604 -8.0563 -8.0563 -7.8110 -7.8110 -7.7717 -7.7717 -3.0518 -3.0518 -1.7094 -1.7094 -1.5740 -1.5740 -1.3836 -1.3836 0.4393 0.4393 1.1277 1.1277 1.1612 1.1612 1.9087 1.9087 2.4666 2.4666 2.5235 2.5235 2.6711 2.6711 3.6063 3.6063 9.7850 9.7850 10.8220 10.8220 11.5886 11.5886 11.6377 11.6377 11.9158 11.9158 k = 0.3571 0.2062 0.5601 ( 4546 PWs) bands (ev): -28.0655 -28.0655 -24.3600 -24.3600 -17.6555 -17.6555 -17.4716 -17.4716 -14.4989 -14.4989 -14.4636 -14.4636 -10.7448 -10.7448 -9.7296 -9.7296 -9.4586 -9.4586 -8.0559 -8.0559 -7.8112 -7.8112 -7.7702 -7.7702 -3.0321 -3.0321 -1.7237 -1.7237 -1.5726 -1.5726 -1.3829 -1.3829 0.4389 0.4389 1.1265 1.1265 1.1601 1.1601 1.8715 1.8715 2.4602 2.4602 2.5162 2.5162 2.6718 2.6718 3.5882 3.5882 9.8080 9.8080 10.8597 10.8597 11.6131 11.6131 11.6722 11.6722 11.9370 11.9370 k = 0.3714 0.2144 0.5601 ( 4542 PWs) bands (ev): -28.0653 -28.0653 -24.3599 -24.3599 -17.6565 -17.6565 -17.4718 -17.4718 -14.5022 -14.5022 -14.4655 -14.4655 -10.7399 -10.7399 -9.7229 -9.7229 -9.4568 -9.4568 -8.0556 -8.0556 -7.8113 -7.8113 -7.7689 -7.7689 -3.0135 -3.0135 -1.7369 -1.7369 -1.5713 -1.5713 -1.3823 -1.3823 0.4385 0.4385 1.1252 1.1252 1.1591 1.1591 1.8368 1.8368 2.4544 2.4544 2.5094 2.5094 2.6724 2.6724 3.5715 3.5715 9.8295 9.8295 10.8953 10.8953 11.6364 11.6364 11.7069 11.7069 11.9577 11.9577 k = 0.3857 0.2227 0.5601 ( 4528 PWs) bands (ev): -28.0652 -28.0652 -24.3599 -24.3599 -17.6574 -17.6574 -17.4719 -17.4719 -14.5052 -14.5052 -14.4672 -14.4672 -10.7354 -10.7354 -9.7167 -9.7167 -9.4552 -9.4552 -8.0553 -8.0553 -7.8114 -7.8114 -7.7677 -7.7677 -2.9962 -2.9962 -1.7490 -1.7490 -1.5700 -1.5700 -1.3817 -1.3817 0.4382 0.4382 1.1238 1.1238 1.1583 1.1583 1.8048 1.8048 2.4493 2.4493 2.5032 2.5032 2.6729 2.6729 3.5562 3.5562 9.8491 9.8491 10.9286 10.9286 11.6583 11.6583 11.7412 11.7412 11.9778 11.9778 k = 0.4000 0.2309 0.5601 ( 4534 PWs) bands (ev): -28.0651 -28.0651 -24.3598 -24.3598 -17.6583 -17.6583 -17.4720 -17.4720 -14.5080 -14.5080 -14.4688 -14.4688 -10.7313 -10.7313 -9.7111 -9.7111 -9.4538 -9.4538 -8.0550 -8.0550 -7.8115 -7.8115 -7.7666 -7.7666 -2.9803 -2.9803 -1.7600 -1.7600 -1.5689 -1.5689 -1.3812 -1.3812 0.4378 0.4378 1.1224 1.1224 1.1575 1.1575 1.7758 1.7758 2.4448 2.4448 2.4976 2.4976 2.6734 2.6734 3.5424 3.5424 9.8669 9.8669 10.9590 10.9590 11.6785 11.6785 11.7745 11.7745 11.9967 11.9967 k = 0.4143 0.2392 0.5601 ( 4534 PWs) bands (ev): -28.0650 -28.0650 -24.3598 -24.3598 -17.6590 -17.6590 -17.4721 -17.4721 -14.5104 -14.5104 -14.4701 -14.4701 -10.7277 -10.7277 -9.7062 -9.7062 -9.4525 -9.4525 -8.0548 -8.0548 -7.8116 -7.8116 -7.7657 -7.7657 -2.9662 -2.9662 -1.7696 -1.7696 -1.5678 -1.5678 -1.3808 -1.3808 0.4375 0.4375 1.1210 1.1210 1.1568 1.1568 1.7501 1.7501 2.4410 2.4410 2.4927 2.4927 2.6738 2.6738 3.5303 3.5303 9.8826 9.8826 10.9862 10.9862 11.6967 11.6967 11.8061 11.8061 12.0142 12.0142 k = 0.4286 0.2474 0.5601 ( 4532 PWs) bands (ev): -28.0649 -28.0649 -24.3598 -24.3598 -17.6596 -17.6596 -17.4722 -17.4722 -14.5124 -14.5124 -14.4713 -14.4713 -10.7246 -10.7246 -9.7019 -9.7019 -9.4513 -9.4513 -8.0547 -8.0547 -7.8117 -7.8117 -7.7649 -7.7649 -2.9539 -2.9539 -1.7779 -1.7779 -1.5669 -1.5669 -1.3804 -1.3804 0.4371 0.4371 1.1197 1.1197 1.1563 1.1563 1.7279 1.7279 2.4377 2.4377 2.4885 2.4885 2.6742 2.6742 3.5200 3.5200 9.8962 9.8962 11.0099 11.0099 11.7127 11.7127 11.8351 11.8351 12.0300 12.0300 k = 0.4429 0.2557 0.5601 ( 4524 PWs) bands (ev): -28.0648 -28.0648 -24.3598 -24.3598 -17.6601 -17.6601 -17.4723 -17.4723 -14.5142 -14.5142 -14.4723 -14.4723 -10.7221 -10.7221 -9.6984 -9.6984 -9.4504 -9.4504 -8.0545 -8.0545 -7.8118 -7.8118 -7.7643 -7.7643 -2.9436 -2.9436 -1.7848 -1.7848 -1.5661 -1.5661 -1.3801 -1.3801 0.4369 0.4369 1.1185 1.1185 1.1558 1.1558 1.7094 1.7094 2.4351 2.4351 2.4850 2.4850 2.6745 2.6745 3.5114 3.5114 9.9074 9.9074 11.0297 11.0297 11.7262 11.7262 11.8606 11.8606 12.0436 12.0436 k = 0.4571 0.2639 0.5601 ( 4520 PWs) bands (ev): -28.0648 -28.0648 -24.3597 -24.3597 -17.6606 -17.6606 -17.4723 -17.4723 -14.5155 -14.5155 -14.4730 -14.4730 -10.7201 -10.7201 -9.6956 -9.6956 -9.4496 -9.4496 -8.0544 -8.0544 -7.8119 -7.8119 -7.7638 -7.7638 -2.9355 -2.9355 -1.7902 -1.7902 -1.5655 -1.5655 -1.3799 -1.3799 0.4367 0.4367 1.1175 1.1175 1.1555 1.1555 1.6949 1.6949 2.4331 2.4331 2.4823 2.4823 2.6748 2.6748 3.5047 3.5047 9.9162 9.9162 11.0454 11.0454 11.7369 11.7369 11.8817 11.8817 12.0546 12.0546 k = 0.4714 0.2722 0.5601 ( 4528 PWs) bands (ev): -28.0647 -28.0647 -24.3597 -24.3597 -17.6609 -17.6609 -17.4724 -17.4724 -14.5165 -14.5165 -14.4736 -14.4736 -10.7186 -10.7186 -9.6936 -9.6936 -9.4491 -9.4491 -8.0543 -8.0543 -7.8119 -7.8119 -7.7634 -7.7634 -2.9296 -2.9296 -1.7941 -1.7941 -1.5650 -1.5650 -1.3797 -1.3797 0.4365 0.4365 1.1168 1.1168 1.1553 1.1553 1.6844 1.6844 2.4317 2.4317 2.4803 2.4803 2.6749 2.6749 3.4998 3.4998 9.9226 9.9226 11.0568 11.0568 11.7448 11.7448 11.8976 11.8976 12.0628 12.0628 k = 0.4857 0.2804 0.5601 ( 4524 PWs) bands (ev): -28.0647 -28.0647 -24.3597 -24.3597 -17.6610 -17.6610 -17.4724 -17.4724 -14.5170 -14.5170 -14.4739 -14.4739 -10.7178 -10.7178 -9.6924 -9.6924 -9.4487 -9.4487 -8.0543 -8.0543 -7.8119 -7.8119 -7.7632 -7.7632 -2.9261 -2.9261 -1.7964 -1.7964 -1.5647 -1.5647 -1.3796 -1.3796 0.4364 0.4364 1.1164 1.1164 1.1551 1.1551 1.6781 1.6781 2.4309 2.4309 2.4791 2.4791 2.6750 2.6750 3.4969 3.4969 9.9265 9.9265 11.0637 11.0637 11.7495 11.7495 11.9074 11.9074 12.0678 12.0678 k = 0.5000 0.2887 0.5601 ( 4524 PWs) bands (ev): -28.0647 -28.0647 -24.3597 -24.3597 -17.6611 -17.6611 -17.4724 -17.4724 -14.5172 -14.5172 -14.4740 -14.4740 -10.7175 -10.7175 -9.6919 -9.6919 -9.4486 -9.4486 -8.0543 -8.0543 -7.8119 -7.8119 -7.7632 -7.7632 -2.9249 -2.9249 -1.7972 -1.7972 -1.5646 -1.5646 -1.3796 -1.3796 0.4364 0.4364 1.1162 1.1162 1.1551 1.1551 1.6760 1.6760 2.4306 2.4306 2.4787 2.4787 2.6751 2.6751 3.4959 3.4959 9.9277 9.9277 11.0660 11.0660 11.7511 11.7511 11.9107 11.9107 12.0695 12.0695 k = 0.5000 0.2887 0.5601 ( 4524 PWs) bands (ev): -28.0647 -28.0647 -24.3597 -24.3597 -17.6611 -17.6611 -17.4724 -17.4724 -14.5172 -14.5172 -14.4740 -14.4740 -10.7175 -10.7175 -9.6919 -9.6919 -9.4486 -9.4486 -8.0543 -8.0543 -7.8119 -7.8119 -7.7632 -7.7632 -2.9249 -2.9249 -1.7972 -1.7972 -1.5646 -1.5646 -1.3796 -1.3796 0.4364 0.4364 1.1162 1.1162 1.1551 1.1551 1.6760 1.6760 2.4306 2.4306 2.4787 2.4787 2.6751 2.6751 3.4959 3.4959 9.9277 9.9277 11.0660 11.0660 11.7511 11.7511 11.9107 11.9107 12.0695 12.0695 k = 0.4917 0.3031 0.5601 ( 4528 PWs) bands (ev): -28.0647 -28.0647 -24.3597 -24.3597 -17.6613 -17.6609 -17.4724 -17.4724 -14.5205 -14.5170 -14.4736 -14.4716 -10.7205 -10.7143 -9.6952 -9.6885 -9.4493 -9.4479 -8.0554 -8.0532 -7.8134 -7.8105 -7.7634 -7.7629 -2.9248 -2.9239 -1.7988 -1.7978 -1.5646 -1.5645 -1.3794 -1.3783 0.4364 0.4364 1.1070 1.1233 1.1475 1.1641 1.6756 1.6766 2.4306 2.4309 2.4772 2.4781 2.6749 2.6750 3.4951 3.4957 9.9282 9.9282 11.0668 11.0671 11.7505 11.7512 11.9110 11.9113 12.0705 12.0716 k = 0.4833 0.3175 0.5601 ( 4536 PWs) bands (ev): -28.0647 -28.0647 -24.3597 -24.3597 -17.6615 -17.6608 -17.4725 -17.4724 -14.5260 -14.5199 -14.4703 -14.4671 -10.7233 -10.7109 -9.6981 -9.6848 -9.4499 -9.4471 -8.0565 -8.0521 -7.8149 -7.8090 -7.7637 -7.7626 -2.9238 -2.9218 -1.8024 -1.8004 -1.5645 -1.5641 -1.3776 -1.3755 0.4363 0.4364 1.0971 1.1239 1.1460 1.1734 1.6755 1.6776 2.4310 2.4317 2.4736 2.4753 2.6745 2.6747 3.4931 3.4944 9.9296 9.9297 11.0696 11.0702 11.7492 11.7508 11.9121 11.9128 12.0744 12.0766 k = 0.4750 0.3320 0.5601 ( 4524 PWs) bands (ev): -28.0647 -28.0647 -24.3597 -24.3597 -17.6617 -17.6607 -17.4725 -17.4724 -14.5327 -14.5247 -14.4651 -14.4615 -10.7259 -10.7074 -9.7007 -9.6808 -9.4505 -9.4463 -8.0576 -8.0510 -7.8164 -7.8075 -7.7639 -7.7623 -2.9217 -2.9188 -1.8080 -1.8050 -1.5641 -1.5636 -1.3744 -1.3713 0.4363 0.4363 1.0868 1.1169 1.1516 1.1825 1.6757 1.6788 2.4319 2.4328 2.4679 2.4705 2.6739 2.6742 3.4901 3.4921 9.9320 9.9320 11.0743 11.0752 11.7473 11.7497 11.9141 11.9152 12.0812 12.0845 k = 0.4667 0.3464 0.5601 ( 4522 PWs) bands (ev): -28.0647 -28.0647 -24.3597 -24.3597 -17.6620 -17.6607 -17.4725 -17.4724 -14.5400 -14.5307 -14.4591 -14.4555 -10.7283 -10.7038 -9.7030 -9.6767 -9.4510 -9.4454 -8.0587 -8.0499 -7.8178 -7.8061 -7.7641 -7.7620 -2.9187 -2.9148 -1.8152 -1.8113 -1.5636 -1.5629 -1.3700 -1.3659 0.4362 0.4363 1.0764 1.1074 1.1591 1.1912 1.6762 1.6803 2.4330 2.4343 2.4604 2.4637 2.6730 2.6735 3.4861 3.4888 9.9353 9.9353 11.0810 11.0822 11.7444 11.7477 11.9172 11.9187 12.0907 12.0952 k = 0.4583 0.3608 0.5601 ( 4522 PWs) bands (ev): -28.0646 -28.0646 -24.3597 -24.3597 -17.6622 -17.6607 -17.4725 -17.4724 -14.5476 -14.5372 -14.4526 -14.4493 -10.7304 -10.7001 -9.7050 -9.6725 -9.4514 -9.4445 -8.0598 -8.0489 -7.8192 -7.8048 -7.7643 -7.7617 -2.9147 -2.9099 -1.8239 -1.8192 -1.5629 -1.5621 -1.3645 -1.3596 0.4361 0.4362 1.0660 1.0973 1.1669 1.1996 1.6768 1.6820 2.4345 2.4360 2.4512 2.4552 2.6720 2.6726 3.4812 3.4845 9.9393 9.9393 11.0896 11.0911 11.7405 11.7446 11.9213 11.9232 12.1026 12.1083 k = 0.4500 0.3753 0.5601 ( 4526 PWs) bands (ev): -28.0646 -28.0646 -24.3597 -24.3597 -17.6625 -17.6607 -17.4726 -17.4725 -14.5552 -14.5438 -14.4462 -14.4432 -10.7322 -10.6964 -9.7066 -9.6682 -9.4518 -9.4436 -8.0608 -8.0480 -7.8206 -7.8035 -7.7644 -7.7614 -2.9099 -2.9043 -1.8338 -1.8283 -1.5621 -1.5612 -1.3583 -1.3527 0.4360 0.4360 1.0557 1.0870 1.1744 1.2074 1.6776 1.6838 2.4362 2.4365 2.4420 2.4452 2.6708 2.6716 3.4756 3.4795 9.9441 9.9441 11.1001 11.1018 11.7352 11.7401 11.9266 11.9289 12.1167 12.1236 k = 0.4417 0.3897 0.5601 ( 4530 PWs) bands (ev): -28.0646 -28.0646 -24.3597 -24.3597 -17.6629 -17.6607 -17.4726 -17.4725 -14.5627 -14.5505 -14.4399 -14.4374 -10.7338 -10.6927 -9.7079 -9.6639 -9.4521 -9.4427 -8.0618 -8.0471 -7.8219 -7.8023 -7.7646 -7.7611 -2.9044 -2.8979 -1.8444 -1.8384 -1.5612 -1.5601 -1.3516 -1.3452 0.4358 0.4359 1.0455 1.0769 1.1815 1.2147 1.6785 1.6858 2.4273 2.4330 2.4389 2.4415 2.6695 2.6704 3.4693 3.4737 9.9496 9.9496 11.1124 11.1144 11.7283 11.7341 11.9331 11.9357 12.1327 12.1408 k = 0.4333 0.4041 0.5601 ( 4522 PWs) bands (ev): -28.0645 -28.0645 -24.3597 -24.3597 -17.6632 -17.6608 -17.4727 -17.4725 -14.5700 -14.5570 -14.4339 -14.4318 -10.7351 -10.6890 -9.7089 -9.6595 -9.4523 -9.4417 -8.0627 -8.0462 -7.8232 -7.8011 -7.7647 -7.7608 -2.8982 -2.8909 -1.8557 -1.8491 -1.5602 -1.5590 -1.3446 -1.3376 0.4357 0.4358 1.0357 1.0669 1.1882 1.2215 1.6793 1.6877 2.4144 2.4207 2.4408 2.4438 2.6680 2.6690 3.4625 3.4675 9.9556 9.9556 11.1266 11.1288 11.7198 11.7264 11.9408 11.9437 12.1500 12.1594 k = 0.4250 0.4186 0.5601 ( 4526 PWs) bands (ev): -28.0645 -28.0645 -24.3597 -24.3597 -17.6635 -17.6609 -17.4727 -17.4726 -14.5770 -14.5633 -14.4282 -14.4266 -10.7362 -10.6854 -9.7097 -9.6552 -9.4525 -9.4408 -8.0636 -8.0454 -7.8244 -7.8000 -7.7648 -7.7605 -2.8915 -2.8834 -1.8672 -1.8601 -1.5592 -1.5578 -1.3376 -1.3300 0.4355 0.4356 1.0263 1.0574 1.1943 1.2277 1.6802 1.6897 2.4007 2.4075 2.4431 2.4463 2.6665 2.6676 3.4554 3.4608 9.9620 9.9620 11.1424 11.1448 11.7093 11.7169 11.9495 11.9527 12.1683 12.1789 k = 0.4167 0.4330 0.5601 ( 4534 PWs) bands (ev): -28.0645 -28.0645 -24.3596 -24.3596 -17.6638 -17.6610 -17.4728 -17.4726 -14.5835 -14.5692 -14.4230 -14.4217 -10.7371 -10.6820 -9.7101 -9.6510 -9.4526 -9.4399 -8.0645 -8.0446 -7.8255 -7.7990 -7.7648 -7.7602 -2.8844 -2.8757 -1.8788 -1.8713 -1.5581 -1.5566 -1.3307 -1.3225 0.4353 0.4354 1.0173 1.0483 1.1998 1.2333 1.6809 1.6914 2.3867 2.3937 2.4455 2.4490 2.6649 2.6662 3.4480 3.4539 9.9686 9.9687 11.1600 11.1624 11.6971 11.7056 11.9591 11.9626 12.1872 12.1990 k = 0.4083 0.4474 0.5601 ( 4530 PWs) bands (ev): -28.0644 -28.0644 -24.3596 -24.3596 -17.6642 -17.6611 -17.4728 -17.4726 -14.5897 -14.5748 -14.4183 -14.4174 -10.7377 -10.6787 -9.7103 -9.6470 -9.4527 -9.4390 -8.0652 -8.0439 -7.8265 -7.7981 -7.7649 -7.7599 -2.8772 -2.8678 -1.8901 -1.8822 -1.5569 -1.5553 -1.3241 -1.3155 0.4352 0.4353 1.0089 1.0397 1.2048 1.2383 1.6814 1.6930 2.3726 2.3799 2.4479 2.4516 2.6633 2.6647 3.4407 3.4470 9.9755 9.9755 11.1790 11.1814 11.6830 11.6924 11.9693 11.9730 12.2060 12.2189 k = 0.4000 0.4619 0.5601 ( 4534 PWs) bands (ev): -28.0644 -28.0644 -24.3596 -24.3596 -17.6645 -17.6612 -17.4729 -17.4727 -14.5953 -14.5799 -14.4141 -14.4134 -10.7381 -10.6756 -9.7103 -9.6432 -9.4527 -9.4382 -8.0659 -8.0433 -7.8275 -7.7973 -7.7649 -7.7596 -2.8698 -2.8599 -1.9010 -1.8928 -1.5558 -1.5541 -1.3179 -1.3089 0.4350 0.4351 1.0011 1.0319 1.2092 1.2427 1.6816 1.6943 2.3590 2.3664 2.4502 2.4542 2.6617 2.6633 3.4334 3.4401 9.9823 9.9823 11.1994 11.2018 11.6672 11.6776 11.9799 11.9838 12.2243 12.2382 k = 0.3917 0.4763 0.5601 ( 4530 PWs) bands (ev): -28.0644 -28.0644 -24.3596 -24.3596 -17.6648 -17.6613 -17.4729 -17.4727 -14.6003 -14.5844 -14.4103 -14.4100 -10.7384 -10.6728 -9.7101 -9.6396 -9.4527 -9.4374 -8.0665 -8.0427 -7.8283 -7.7965 -7.7649 -7.7594 -2.8627 -2.8522 -1.9112 -1.9027 -1.5548 -1.5530 -1.3123 -1.3029 0.4348 0.4349 0.9941 1.0247 1.2131 1.2466 1.6816 1.6952 2.3461 2.3536 2.4523 2.4566 2.6602 2.6619 3.4265 3.4335 9.9889 9.9889 11.2209 11.2231 11.6500 11.6614 11.9904 11.9946 12.2416 12.2564 k = 0.3833 0.4907 0.5601 ( 4538 PWs) bands (ev): -28.0643 -28.0643 -24.3596 -24.3596 -17.6651 -17.6615 -17.4730 -17.4727 -14.6048 -14.5885 -14.4072 -14.4070 -10.7385 -10.6702 -9.7098 -9.6364 -9.4527 -9.4367 -8.0671 -8.0423 -7.8290 -7.7959 -7.7649 -7.7592 -2.8559 -2.8449 -1.9205 -1.9118 -1.5538 -1.5519 -1.3074 -1.2976 0.4346 0.4348 0.9879 1.0184 1.2163 1.2499 1.6812 1.6958 2.3342 2.3418 2.4543 2.4587 2.6589 2.6607 3.4201 3.4274 9.9951 9.9951 11.2433 11.2452 11.6316 11.6441 12.0006 12.0050 12.2574 12.2729 k = 0.3750 0.5052 0.5601 ( 4546 PWs) bands (ev): -28.0643 -28.0643 -24.3596 -24.3596 -17.6654 -17.6616 -17.4730 -17.4728 -14.6086 -14.5920 -14.4045 -14.4045 -10.7385 -10.6680 -9.7094 -9.6336 -9.4526 -9.4361 -8.0676 -8.0419 -7.8297 -7.7954 -7.7649 -7.7589 -2.8496 -2.8383 -1.9287 -1.9199 -1.5529 -1.5509 -1.3032 -1.2931 0.4345 0.4346 0.9825 1.0129 1.2191 1.2526 1.6805 1.6960 2.3237 2.3313 2.4560 2.4606 2.6576 2.6596 3.4143 3.4218 10.0008 10.0008 11.2660 11.2674 11.6124 11.6262 12.0101 12.0147 12.2713 12.2873 k = 0.3667 0.5196 0.5601 ( 4546 PWs) bands (ev): -28.0643 -28.0643 -24.3596 -24.3596 -17.6656 -17.6618 -17.4730 -17.4728 -14.6118 -14.5949 -14.4026 -14.4023 -10.7384 -10.6661 -9.7090 -9.6311 -9.4526 -9.4355 -8.0679 -8.0415 -7.8302 -7.7950 -7.7648 -7.7588 -2.8440 -2.8324 -1.9358 -1.9268 -1.5521 -1.5501 -1.2997 -1.2894 0.4344 0.4345 0.9780 1.0083 1.2212 1.2548 1.6796 1.6958 2.3149 2.3223 2.4574 2.4622 2.6566 2.6586 3.4093 3.4170 10.0059 10.0059 11.2884 11.2891 11.5933 11.6084 12.0185 12.0234 12.2829 12.2993 k = 0.3583 0.5340 0.5601 ( 4542 PWs) bands (ev): -28.0643 -28.0643 -24.3596 -24.3596 -17.6658 -17.6619 -17.4731 -17.4728 -14.6143 -14.5971 -14.4010 -14.4007 -10.7383 -10.6645 -9.7085 -9.6292 -9.4525 -9.4351 -8.0682 -8.0413 -7.8306 -7.7946 -7.7648 -7.7586 -2.8394 -2.8275 -1.9414 -1.9324 -1.5515 -1.5494 -1.2970 -1.2865 0.4343 0.4344 0.9745 1.0048 1.2229 1.2565 1.6785 1.6953 2.3078 2.3152 2.4585 2.4634 2.6558 2.6579 3.4052 3.4130 10.0100 10.0100 11.3092 11.3095 11.5750 11.5917 12.0255 12.0306 12.2921 12.3088 k = 0.3500 0.5485 0.5601 ( 4538 PWs) bands (ev): -28.0642 -28.0642 -24.3596 -24.3596 -17.6659 -17.6619 -17.4731 -17.4728 -14.6161 -14.5988 -14.4000 -14.3996 -10.7382 -10.6634 -9.7082 -9.6277 -9.4524 -9.4347 -8.0684 -8.0411 -7.8309 -7.7944 -7.7647 -7.7585 -2.8359 -2.8238 -1.9456 -1.9364 -1.5510 -1.5489 -1.2951 -1.2844 0.4342 0.4343 0.9720 1.0022 1.2241 1.2576 1.6774 1.6947 2.3028 2.3101 2.4593 2.4643 2.6552 2.6574 3.4021 3.4100 10.0132 10.0132 11.3261 11.3276 11.5592 11.5775 12.0309 12.0361 12.2987 12.3155 k = 0.3417 0.5629 0.5601 ( 4534 PWs) bands (ev): -28.0642 -28.0642 -24.3596 -24.3596 -17.6660 -17.6620 -17.4731 -17.4728 -14.6172 -14.5997 -14.3994 -14.3989 -10.7380 -10.6627 -9.7079 -9.6268 -9.4524 -9.4345 -8.0685 -8.0410 -7.8310 -7.7942 -7.7647 -7.7584 -2.8336 -2.8215 -1.9481 -1.9389 -1.5507 -1.5486 -1.2939 -1.2832 0.4341 0.4342 0.9705 1.0007 1.2248 1.2583 1.6766 1.6942 2.2997 2.3070 2.4597 2.4648 2.6548 2.6571 3.4002 3.4082 10.0152 10.0152 11.3378 11.3403 11.5481 11.5677 12.0342 12.0396 12.3026 12.3195 k = 0.3333 0.5774 0.5601 ( 4530 PWs) bands (ev): -28.0642 -28.0642 -24.3596 -24.3596 -17.6660 -17.6620 -17.4731 -17.4728 -14.6175 -14.6001 -14.3992 -14.3987 -10.7380 -10.6625 -9.7078 -9.6265 -9.4524 -9.4345 -8.0686 -8.0409 -7.8311 -7.7942 -7.7647 -7.7584 -2.8329 -2.8207 -1.9490 -1.9398 -1.5506 -1.5485 -1.2936 -1.2828 0.4341 0.4342 0.9700 1.0001 1.2250 1.2586 1.6763 1.6939 2.2987 2.3060 2.4598 2.4650 2.6547 2.6570 3.3995 3.4075 10.0159 10.0159 11.3420 11.3450 11.5439 11.5641 12.0353 12.0408 12.3039 12.3208 k = 0.3333 0.5774 0.5601 ( 4530 PWs) bands (ev): -28.0642 -28.0642 -24.3596 -24.3596 -17.6660 -17.6620 -17.4731 -17.4728 -14.6175 -14.6001 -14.3992 -14.3987 -10.7380 -10.6625 -9.7078 -9.6265 -9.4524 -9.4345 -8.0686 -8.0409 -7.8311 -7.7942 -7.7647 -7.7584 -2.8329 -2.8207 -1.9490 -1.9398 -1.5506 -1.5485 -1.2936 -1.2828 0.4341 0.4342 0.9700 1.0001 1.2250 1.2586 1.6763 1.6939 2.2987 2.3060 2.4598 2.4650 2.6547 2.6570 3.3995 3.4075 10.0159 10.0159 11.3420 11.3450 11.5439 11.5641 12.0353 12.0408 12.3039 12.3208 k = 0.3250 0.5629 0.5601 ( 4536 PWs) bands (ev): -28.0642 -28.0642 -24.3596 -24.3596 -17.6660 -17.6620 -17.4731 -17.4728 -14.6172 -14.5997 -14.3994 -14.3989 -10.7381 -10.6627 -9.7079 -9.6268 -9.4524 -9.4345 -8.0685 -8.0410 -7.8310 -7.7942 -7.7647 -7.7584 -2.8337 -2.8216 -1.9481 -1.9389 -1.5507 -1.5486 -1.2939 -1.2832 0.4341 0.4343 0.9705 1.0007 1.2248 1.2583 1.6767 1.6942 2.2997 2.3070 2.4597 2.4648 2.6548 2.6570 3.4002 3.4082 10.0151 10.0151 11.3376 11.3402 11.5481 11.5676 12.0341 12.0395 12.3026 12.3195 k = 0.3167 0.5485 0.5601 ( 4532 PWs) bands (ev): -28.0642 -28.0642 -24.3596 -24.3596 -17.6659 -17.6619 -17.4731 -17.4728 -14.6161 -14.5988 -14.3999 -14.3995 -10.7382 -10.6635 -9.7083 -9.6278 -9.4525 -9.4348 -8.0684 -8.0411 -7.8309 -7.7944 -7.7648 -7.7585 -2.8362 -2.8241 -1.9455 -1.9363 -1.5510 -1.5490 -1.2950 -1.2843 0.4342 0.4343 0.9720 1.0022 1.2242 1.2577 1.6782 1.6955 2.3026 2.3099 2.4594 2.4644 2.6551 2.6573 3.4023 3.4102 10.0129 10.0129 11.3251 11.3265 11.5592 11.5773 12.0305 12.0356 12.2988 12.3156 k = 0.3083 0.5340 0.5601 ( 4540 PWs) bands (ev): -28.0643 -28.0643 -24.3596 -24.3596 -17.6657 -17.6618 -17.4730 -17.4728 -14.6143 -14.5971 -14.4008 -14.4004 -10.7386 -10.6647 -9.7090 -9.6294 -9.4526 -9.4351 -8.0683 -8.0413 -7.8306 -7.7946 -7.7648 -7.7587 -2.8404 -2.8285 -1.9411 -1.9320 -1.5515 -1.5495 -1.2967 -1.2862 0.4343 0.4344 0.9744 1.0047 1.2231 1.2567 1.6811 1.6979 2.3073 2.3147 2.4589 2.4638 2.6556 2.6578 3.4058 3.4137 10.0090 10.0090 11.3061 11.3062 11.5747 11.5907 12.0242 12.0288 12.2924 12.3092 k = 0.3000 0.5196 0.5601 ( 4546 PWs) bands (ev): -28.0643 -28.0643 -24.3596 -24.3596 -17.6655 -17.6616 -17.4730 -17.4728 -14.6119 -14.5949 -14.4019 -14.4016 -10.7392 -10.6665 -9.7100 -9.6318 -9.4528 -9.4357 -8.0680 -8.0415 -7.8302 -7.7949 -7.7650 -7.7589 -2.8465 -2.8348 -1.9349 -1.9259 -1.5522 -1.5503 -1.2990 -1.2887 0.4344 0.4346 0.9778 1.0081 1.2217 1.2553 1.6856 1.7018 2.3136 2.3212 2.4583 2.4631 2.6563 2.6583 3.4109 3.4186 10.0033 10.0034 11.2812 11.2824 11.5917 11.6057 12.0151 12.0191 12.2834 12.3002 k = 0.2917 0.5052 0.5601 ( 4534 PWs) bands (ev): -28.0643 -28.0643 -24.3596 -24.3596 -17.6651 -17.6614 -17.4730 -17.4727 -14.6087 -14.5921 -14.4033 -14.4031 -10.7399 -10.6688 -9.7113 -9.6348 -9.4532 -9.4364 -8.0677 -8.0418 -7.8298 -7.7952 -7.7652 -7.7592 -2.8543 -2.8429 -1.9271 -1.9182 -1.5531 -1.5512 -1.3018 -1.2918 0.4346 0.4348 0.9820 1.0124 1.2200 1.2536 1.6921 1.7075 2.3215 2.3292 2.4577 2.4624 2.6570 2.6590 3.4174 3.4250 9.9960 9.9960 11.2531 11.2552 11.6084 11.6200 12.0032 12.0063 12.2719 12.2885 k = 0.2833 0.4907 0.5601 ( 4534 PWs) bands (ev): -28.0644 -28.0644 -24.3596 -24.3596 -17.6647 -17.6611 -17.4729 -17.4727 -14.6049 -14.5886 -14.4050 -14.4048 -10.7410 -10.6716 -9.7131 -9.6385 -9.4536 -9.4373 -8.0674 -8.0422 -7.8292 -7.7956 -7.7654 -7.7596 -2.8639 -2.8528 -1.9176 -1.9089 -1.5542 -1.5524 -1.3051 -1.2955 0.4349 0.4350 0.9871 1.0176 1.2179 1.2516 1.7008 1.7153 2.3307 2.3386 2.4572 2.4617 2.6579 2.6597 3.4255 3.4329 9.9868 9.9868 11.2226 11.2254 11.6230 11.6323 11.9881 11.9901 12.2576 12.2740 k = 0.2750 0.4763 0.5601 ( 4544 PWs) bands (ev): -28.0645 -28.0645 -24.3596 -24.3596 -17.6642 -17.6607 -17.4728 -17.4726 -14.6005 -14.5847 -14.4068 -14.4067 -10.7423 -10.6749 -9.7153 -9.6429 -9.4541 -9.4384 -8.0670 -8.0427 -7.8286 -7.7961 -7.7658 -7.7600 -2.8753 -2.8645 -1.9066 -1.8981 -1.5555 -1.5537 -1.3088 -1.2996 0.4352 0.4353 0.9928 1.0234 1.2156 1.2492 1.7119 1.7253 2.3410 2.3491 2.4569 2.4612 2.6588 2.6605 3.4351 3.4423 9.9758 9.9758 11.1903 11.1936 11.6346 11.6413 11.9698 11.9704 12.2406 12.2566 k = 0.2667 0.4619 0.5601 ( 4540 PWs) bands (ev): -28.0645 -28.0645 -24.3597 -24.3597 -17.6636 -17.6602 -17.4727 -17.4725 -14.5955 -14.5802 -14.4087 -14.4087 -10.7439 -10.6788 -9.7179 -9.6480 -9.4548 -9.4397 -8.0666 -8.0432 -7.8279 -7.7967 -7.7662 -7.7606 -2.8883 -2.8779 -1.8941 -1.8859 -1.5569 -1.5552 -1.3129 -1.3042 0.4355 0.4356 0.9992 1.0300 1.2130 1.2466 1.7256 1.7378 2.3524 2.3607 2.4568 2.4609 2.6596 2.6613 3.4462 3.4532 9.9629 9.9630 11.1564 11.1601 11.6424 11.6465 11.9472 11.9481 12.2209 12.2363 k = 0.2583 0.4474 0.5601 ( 4540 PWs) bands (ev): -28.0646 -28.0646 -24.3597 -24.3597 -17.6630 -17.6597 -17.4726 -17.4724 -14.5900 -14.5752 -14.4108 -14.4107 -10.7458 -10.6832 -9.7210 -9.6538 -9.4555 -9.4411 -8.0661 -8.0438 -7.8271 -7.7972 -7.7667 -7.7613 -2.9029 -2.8930 -1.8802 -1.8723 -1.5585 -1.5568 -1.3172 -1.3090 0.4359 0.4360 1.0061 1.0370 1.2101 1.2438 1.7419 1.7530 2.3646 2.3732 2.4571 2.4610 2.6605 2.6621 3.4588 3.4656 9.9483 9.9483 11.1211 11.1250 11.6460 11.6475 11.9205 11.9230 12.1984 12.2130 k = 0.2500 0.4330 0.5601 ( 4548 PWs) bands (ev): -28.0647 -28.0647 -24.3597 -24.3597 -17.6622 -17.6591 -17.4725 -17.4723 -14.5840 -14.5698 -14.4130 -14.4128 -10.7480 -10.6881 -9.7245 -9.6602 -9.4564 -9.4427 -8.0657 -8.0445 -7.8262 -7.7978 -7.7673 -7.7621 -2.9190 -2.9095 -1.8652 -1.8576 -1.5602 -1.5586 -1.3218 -1.3142 0.4363 0.4364 1.0134 1.0446 1.2070 1.2408 1.7611 1.7708 2.3775 2.3863 2.4578 2.4615 2.6614 2.6628 3.4729 3.4794 9.9319 9.9319 11.0846 11.0886 11.6443 11.6453 11.8906 11.8946 12.1735 12.1871 k = 0.2417 0.4186 0.5601 ( 4550 PWs) bands (ev): -28.0648 -28.0648 -24.3598 -24.3598 -17.6614 -17.6584 -17.4724 -17.4722 -14.5775 -14.5639 -14.4151 -14.4149 -10.7505 -10.6934 -9.7285 -9.6673 -9.4574 -9.4444 -8.0652 -8.0452 -7.8254 -7.7985 -7.7680 -7.7630 -2.9364 -2.9275 -1.8490 -1.8417 -1.5619 -1.5604 -1.3266 -1.3195 0.4367 0.4368 1.0211 1.0524 1.2038 1.2375 1.7830 1.7914 2.3911 2.4000 2.4590 2.4625 2.6622 2.6635 3.4883 3.4945 9.9138 9.9138 11.0469 11.0508 11.6370 11.6406 11.8579 11.8634 12.1463 12.1588 k = 0.2333 0.4041 0.5601 ( 4552 PWs) bands (ev): -28.0649 -28.0649 -24.3598 -24.3598 -17.6604 -17.6577 -17.4723 -17.4721 -14.5706 -14.5577 -14.4172 -14.4170 -10.7533 -10.6992 -9.7329 -9.6749 -9.4585 -9.4463 -8.0648 -8.0459 -7.8244 -7.7991 -7.7689 -7.7640 -2.9551 -2.9467 -1.8317 -1.8249 -1.5638 -1.5624 -1.3314 -1.3250 0.4372 0.4373 1.0291 1.0605 1.2004 1.2341 1.8076 1.8148 2.4051 2.4142 2.4609 2.4641 2.6629 2.6641 3.5051 3.5110 9.8940 9.8941 11.0081 11.0119 11.6262 11.6321 11.8227 11.8298 12.1174 12.1287 k = 0.2250 0.3897 0.5601 ( 4548 PWs) bands (ev): -28.0651 -28.0651 -24.3598 -24.3598 -17.6594 -17.6568 -17.4721 -17.4720 -14.5634 -14.5512 -14.4193 -14.4190 -10.7565 -10.7055 -9.7378 -9.6831 -9.4598 -9.4483 -8.0643 -8.0468 -7.8235 -7.7998 -7.7698 -7.7652 -2.9749 -2.9670 -1.8136 -1.8072 -1.5657 -1.5644 -1.3363 -1.3305 0.4376 0.4377 1.0371 1.0688 1.1968 1.2306 1.8350 1.8408 2.4194 2.4286 2.4634 2.4663 2.6635 2.6646 3.5231 3.5287 9.8727 9.8727 10.9682 10.9718 11.6123 11.6203 11.7859 11.7944 12.0871 12.0971 k = 0.2167 0.3753 0.5601 ( 4544 PWs) bands (ev): -28.0652 -28.0652 -24.3599 -24.3599 -17.6583 -17.6559 -17.4720 -17.4718 -14.5558 -14.5444 -14.4212 -14.4209 -10.7600 -10.7121 -9.7431 -9.6918 -9.4611 -9.4505 -8.0639 -8.0476 -7.8225 -7.8005 -7.7709 -7.7665 -2.9956 -2.9882 -1.7946 -1.7887 -1.5676 -1.5664 -1.3412 -1.3360 0.4381 0.4382 1.0452 1.0770 1.1931 1.2270 1.8649 1.8695 2.4339 2.4433 2.4667 2.4693 2.6640 2.6650 3.5423 3.5476 9.8499 9.8500 10.9274 10.9307 11.5958 11.6056 11.7478 11.7577 12.0559 12.0646 k = 0.2083 0.3608 0.5601 ( 4540 PWs) bands (ev): -28.0654 -28.0654 -24.3599 -24.3599 -17.6572 -17.6550 -17.4718 -17.4717 -14.5480 -14.5375 -14.4230 -14.4228 -10.7637 -10.7191 -9.7488 -9.7010 -9.4625 -9.4527 -8.0636 -8.0485 -7.8215 -7.8011 -7.7721 -7.7679 -3.0171 -3.0103 -1.7750 -1.7695 -1.5695 -1.5684 -1.3460 -1.3414 0.4386 0.4386 1.0532 1.0852 1.1894 1.2232 1.8973 1.9006 2.4486 2.4579 2.4708 2.4730 2.6644 2.6653 3.5626 3.5676 9.8258 9.8259 10.8857 10.8888 11.5771 11.5886 11.7091 11.7203 12.0243 12.0318 k = 0.2000 0.3464 0.5601 ( 4548 PWs) bands (ev): -28.0655 -28.0655 -24.3600 -24.3600 -17.6560 -17.6539 -17.4716 -17.4715 -14.5400 -14.5303 -14.4246 -14.4244 -10.7678 -10.7265 -9.7548 -9.7106 -9.4641 -9.4550 -8.0633 -8.0495 -7.8205 -7.8018 -7.7734 -7.7695 -3.0393 -3.0330 -1.7548 -1.7498 -1.5714 -1.5704 -1.3508 -1.3468 0.4390 0.4391 1.0610 1.0931 1.1856 1.2194 1.9319 1.9341 2.4632 2.4714 2.4769 2.4777 2.6647 2.6655 3.5839 3.5886 9.8004 9.8005 10.8434 10.8461 11.5567 11.5696 11.6703 11.6827 11.9927 11.9991 k = 0.1917 0.3320 0.5601 ( 4552 PWs) bands (ev): -28.0657 -28.0657 -24.3600 -24.3600 -17.6547 -17.6528 -17.4714 -17.4713 -14.5319 -14.5231 -14.4260 -14.4260 -10.7721 -10.7341 -9.7612 -9.7205 -9.4656 -9.4574 -8.0630 -8.0505 -7.8195 -7.8025 -7.7748 -7.7712 -3.0620 -3.0563 -1.7341 -1.7297 -1.5733 -1.5724 -1.3553 -1.3520 0.4395 0.4395 1.0685 1.1008 1.1818 1.2155 1.9685 1.9696 2.4772 2.4796 2.4837 2.4889 2.6650 2.6656 3.6060 3.6104 9.7740 9.7741 10.8005 10.8029 11.5351 11.5491 11.6319 11.6453 11.9616 11.9668 k = 0.1833 0.3175 0.5601 ( 4548 PWs) bands (ev): -28.0658 -28.0658 -24.3601 -24.3601 -17.6534 -17.6517 -17.4712 -17.4711 -14.5237 -14.5157 -14.4273 -14.4273 -10.7767 -10.7419 -9.7679 -9.7307 -9.4673 -9.4598 -8.0628 -8.0515 -7.8185 -7.8031 -7.7763 -7.7730 -3.0850 -3.0799 -1.7131 -1.7092 -1.5751 -1.5743 -1.3598 -1.3570 0.4399 0.4400 1.0758 1.1081 1.1780 1.2116 2.0070 2.0070 2.4863 2.4873 2.4943 2.5032 2.6651 2.6656 3.6290 3.6330 9.7466 9.7467 10.7574 10.7595 11.5125 11.5275 11.5943 11.6086 11.9312 11.9355 k = 0.1750 0.3031 0.5601 ( 4552 PWs) bands (ev): -28.0660 -28.0660 -24.3602 -24.3602 -17.6520 -17.6505 -17.4711 -17.4710 -14.5155 -14.5084 -14.4284 -14.4283 -10.7815 -10.7500 -9.7748 -9.7411 -9.4690 -9.4623 -8.0627 -8.0526 -7.8175 -7.8037 -7.7780 -7.7749 -3.1083 -3.1036 -1.6919 -1.6886 -1.5768 -1.5761 -1.3640 -1.3617 0.4403 0.4404 1.0826 1.1149 1.1742 1.2077 2.0459 2.0469 2.4934 2.4948 2.5081 2.5175 2.6650 2.6656 3.6526 3.6563 9.7184 9.7186 10.7142 10.7160 11.4892 11.5050 11.5577 11.5728 11.9018 11.9053 k = 0.1667 0.2887 0.5601 ( 4552 PWs) bands (ev): -28.0662 -28.0662 -24.3602 -24.3602 -17.6506 -17.6493 -17.4709 -17.4708 -14.5074 -14.5012 -14.4293 -14.4290 -10.7865 -10.7581 -9.7819 -9.7516 -9.4707 -9.4647 -8.0626 -8.0537 -7.8166 -7.8043 -7.7797 -7.7769 -3.1315 -3.1274 -1.6706 -1.6678 -1.5784 -1.5778 -1.3679 -1.3662 0.4408 0.4408 1.0889 1.1212 1.1706 1.2038 2.0862 2.0881 2.5012 2.5026 2.5222 2.5317 2.6650 2.6654 3.6767 3.6801 9.6896 9.6897 10.6713 10.6728 11.4656 11.4821 11.5223 11.5381 11.8738 11.8765 k = 0.1583 0.2742 0.5601 ( 4556 PWs) bands (ev): -28.0664 -28.0664 -24.3603 -24.3603 -17.6492 -17.6480 -17.4707 -17.4706 -14.4993 -14.4940 -14.4300 -14.4295 -10.7917 -10.7664 -9.7892 -9.7622 -9.4724 -9.4672 -8.0626 -8.0548 -7.8157 -7.8048 -7.7815 -7.7790 -3.1547 -3.1510 -1.6494 -1.6471 -1.5800 -1.5795 -1.3717 -1.3704 0.4412 0.4412 1.0947 1.1268 1.1671 1.2000 2.1275 2.1301 2.5097 2.5109 2.5361 2.5455 2.6648 2.6651 3.7012 3.7043 9.6604 9.6605 10.6290 10.6302 11.4419 11.4588 11.4884 11.5047 11.8474 11.8494 k = 0.1500 0.2598 0.5601 ( 4556 PWs) bands (ev): -28.0666 -28.0666 -24.3603 -24.3603 -17.6478 -17.6468 -17.4704 -17.4704 -14.4914 -14.4870 -14.4305 -14.4298 -10.7970 -10.7746 -9.7966 -9.7728 -9.4742 -9.4696 -8.0627 -8.0559 -7.8148 -7.8053 -7.7834 -7.7811 -3.1776 -3.1744 -1.6283 -1.6265 -1.5813 -1.5810 -1.3751 -1.3743 0.4415 0.4416 1.1001 1.1318 1.1638 1.1962 2.1695 2.1728 2.5188 2.5199 2.5497 2.5589 2.6645 2.6648 3.7260 3.7287 9.6308 9.6309 10.5874 10.5883 11.4182 11.4354 11.4561 11.4728 11.8228 11.8242 k = 0.1417 0.2454 0.5601 ( 4544 PWs) bands (ev): -28.0667 -28.0667 -24.3604 -24.3604 -17.6464 -17.6455 -17.4702 -17.4702 -14.4837 -14.4801 -14.4307 -14.4299 -10.8023 -10.7828 -9.8041 -9.7833 -9.4759 -9.4719 -8.0629 -8.0570 -7.8140 -7.8058 -7.7853 -7.7833 -3.2001 -3.1974 -1.6075 -1.6064 -1.5824 -1.5823 -1.3784 -1.3779 0.4419 0.4419 1.1048 1.1359 1.1609 1.1925 2.2118 2.2157 2.5285 2.5294 2.5629 2.5719 2.6642 2.6644 3.7508 3.7532 9.6012 9.6013 10.5468 10.5476 11.3949 11.4121 11.4256 11.4423 11.8002 11.8011 k = 0.1333 0.2309 0.5601 ( 4544 PWs) bands (ev): -28.0669 -28.0669 -24.3605 -24.3605 -17.6449 -17.6442 -17.4700 -17.4700 -14.4762 -14.4735 -14.4308 -14.4297 -10.8077 -10.7909 -9.8115 -9.7936 -9.4776 -9.4742 -8.0631 -8.0581 -7.8132 -7.8062 -7.7873 -7.7855 -3.2221 -3.2198 -1.5889 -1.5884 -1.5822 -1.5811 -1.3813 -1.3812 0.4422 0.4423 1.1091 1.1390 1.1585 1.1890 2.2542 2.2585 2.5385 2.5393 2.5757 2.5844 2.6638 2.6640 3.7756 3.7777 9.5717 9.5718 10.5077 10.5083 11.3720 11.3886 11.3972 11.4134 11.7797 11.7802 k = 0.1250 0.2165 0.5601 ( 4552 PWs) bands (ev): -28.0671 -28.0671 -24.3605 -24.3605 -17.6436 -17.6429 -17.4698 -17.4698 -14.4691 -14.4672 -14.4306 -14.4292 -10.8132 -10.7989 -9.8189 -9.8037 -9.4793 -9.4765 -8.0634 -8.0592 -7.8125 -7.8066 -7.7893 -7.7877 -3.2434 -3.2414 -1.5861 -1.5855 -1.5664 -1.5655 -1.3841 -1.3840 0.4425 0.4426 1.1127 1.1408 1.1571 1.1855 2.2962 2.3009 2.5489 2.5496 2.5880 2.5965 2.6634 2.6635 3.8001 3.8019 9.5424 9.5425 10.4700 10.4705 11.3497 11.3646 11.3716 11.3862 11.7615 11.7616 k = 0.1167 0.2021 0.5601 ( 4544 PWs) bands (ev): -28.0673 -28.0673 -24.3606 -24.3606 -17.6422 -17.6417 -17.4696 -17.4696 -14.4623 -14.4611 -14.4302 -14.4286 -10.8186 -10.8066 -9.8262 -9.8135 -9.4810 -9.4786 -8.0638 -8.0603 -7.8118 -7.8069 -7.7913 -7.7899 -3.2639 -3.2623 -1.5868 -1.5864 -1.5473 -1.5469 -1.3868 -1.3864 0.4428 0.4429 1.1159 1.1410 1.1568 1.1822 2.3375 2.3424 2.5595 2.5601 2.5998 2.6079 2.6629 2.6630 3.8242 3.8258 9.5138 9.5138 10.4342 10.4345 11.3282 11.3401 11.3489 11.3606 11.7455 11.7457 k = 0.1083 0.1876 0.5601 ( 4544 PWs) bands (ev): -28.0674 -28.0674 -24.3606 -24.3606 -17.6409 -17.6404 -17.4694 -17.4694 -14.4559 -14.4554 -14.4296 -14.4278 -10.8239 -10.8140 -9.8334 -9.8229 -9.4825 -9.4806 -8.0642 -8.0614 -7.8112 -7.8072 -7.7932 -7.7921 -3.2836 -3.2823 -1.5876 -1.5873 -1.5288 -1.5288 -1.3891 -1.3885 0.4431 0.4431 1.1185 1.1400 1.1573 1.1791 2.3778 2.3828 2.5701 2.5707 2.6110 2.6188 2.6624 2.6624 3.8478 3.8491 9.4858 9.4859 10.4002 10.4005 11.3075 11.3166 11.3278 11.3367 11.7320 11.7324 k = 0.1000 0.1732 0.5601 ( 4528 PWs) bands (ev): -28.0676 -28.0676 -24.3607 -24.3607 -17.6396 -17.6393 -17.4693 -17.4692 -14.4501 -14.4499 -14.4289 -14.4269 -10.8291 -10.8211 -9.8403 -9.8318 -9.4840 -9.4825 -8.0646 -8.0624 -7.8106 -7.8074 -7.7951 -7.7942 -3.3022 -3.3011 -1.5883 -1.5881 -1.5114 -1.5112 -1.3912 -1.3904 0.4434 0.4434 1.1207 1.1384 1.1583 1.1762 2.4166 2.4217 2.5807 2.5812 2.6218 2.6292 2.6619 2.6619 3.8705 3.8716 9.4588 9.4589 10.3684 10.3686 11.2878 11.2944 11.3080 11.3145 11.7212 11.7218 k = 0.0917 0.1588 0.5601 ( 4528 PWs) bands (ev): -28.0677 -28.0677 -24.3607 -24.3607 -17.6384 -17.6381 -17.4691 -17.4691 -14.4452 -14.4444 -14.4280 -14.4258 -10.8341 -10.8278 -9.8469 -9.8402 -9.4855 -9.4843 -8.0651 -8.0634 -7.8101 -7.8076 -7.7970 -7.7963 -3.3197 -3.3189 -1.5890 -1.5888 -1.4950 -1.4946 -1.3929 -1.3921 0.4436 0.4436 1.1224 1.1365 1.1593 1.1735 2.4537 2.4586 2.5912 2.5916 2.6320 2.6389 2.6613 2.6614 3.8924 3.8932 9.4330 9.4330 10.3389 10.3390 11.2692 11.2739 11.2895 11.2941 11.7132 11.7139 k = 0.0833 0.1443 0.5601 ( 4544 PWs) bands (ev): -28.0679 -28.0679 -24.3608 -24.3608 -17.6373 -17.6371 -17.4689 -17.4689 -14.4406 -14.4393 -14.4271 -14.4247 -10.8389 -10.8340 -9.8532 -9.8481 -9.4868 -9.4859 -8.0656 -8.0643 -7.8097 -7.8078 -7.7988 -7.7982 -3.3360 -3.3354 -1.5896 -1.5894 -1.4797 -1.4791 -1.3944 -1.3935 0.4438 0.4438 1.1237 1.1345 1.1601 1.1710 2.4885 2.4933 2.6012 2.6016 2.6417 2.6480 2.6608 2.6610 3.9130 3.9137 9.4086 9.4086 10.3116 10.3117 11.2518 11.2550 11.2722 11.2753 11.7080 11.7087 k = 0.0750 0.1299 0.5601 ( 4544 PWs) bands (ev): -28.0680 -28.0680 -24.3608 -24.3608 -17.6362 -17.6361 -17.4688 -17.4688 -14.4365 -14.4348 -14.4260 -14.4235 -10.8434 -10.8398 -9.8591 -9.8553 -9.4881 -9.4874 -8.0662 -8.0652 -7.8093 -7.8079 -7.8004 -7.8000 -3.3510 -3.3506 -1.5901 -1.5900 -1.4654 -1.4647 -1.3957 -1.3947 0.4440 0.4440 1.1246 1.1327 1.1607 1.1688 2.5209 2.5252 2.6108 2.6112 2.6507 2.6565 2.6606 2.6608 3.9324 3.9329 9.3857 9.3858 10.2868 10.2869 11.2358 11.2379 11.2563 11.2584 11.7057 11.7065 k = 0.0667 0.1155 0.5601 ( 4540 PWs) bands (ev): -28.0681 -28.0681 -24.3609 -24.3609 -17.6352 -17.6351 -17.4686 -17.4686 -14.4328 -14.4307 -14.4249 -14.4223 -10.8477 -10.8451 -9.8646 -9.8619 -9.4893 -9.4888 -8.0667 -8.0660 -7.8090 -7.8080 -7.8020 -7.8017 -3.3647 -3.3644 -1.5905 -1.5904 -1.4525 -1.4517 -1.3967 -1.3957 0.4441 0.4441 1.1253 1.1310 1.1611 1.1668 2.5503 2.5541 2.6198 2.6202 2.6576 2.6595 2.6624 2.6653 3.9503 3.9506 9.3647 9.3647 10.2645 10.2646 11.2211 11.2225 11.2418 11.2431 11.7063 11.7071 k = 0.0583 0.1010 0.5601 ( 4534 PWs) bands (ev): -28.0682 -28.0682 -24.3609 -24.3609 -17.6344 -17.6343 -17.4685 -17.4685 -14.4295 -14.4272 -14.4238 -14.4212 -10.8515 -10.8498 -9.8696 -9.8677 -9.4903 -9.4900 -8.0672 -8.0667 -7.8087 -7.8081 -7.8034 -7.8032 -3.3769 -3.3767 -1.5909 -1.5908 -1.4409 -1.4401 -1.3974 -1.3965 0.4443 0.4443 1.1256 1.1295 1.1613 1.1652 2.5763 2.5796 2.6281 2.6284 2.6587 2.6592 2.6696 2.6731 3.9665 3.9667 9.3457 9.3457 10.2448 10.2448 11.2081 11.2089 11.2289 11.2296 11.7099 11.7106 k = 0.0500 0.0866 0.5601 ( 4542 PWs) bands (ev): -28.0684 -28.0684 -24.3609 -24.3609 -17.6336 -17.6336 -17.4684 -17.4684 -14.4266 -14.4243 -14.4227 -14.4201 -10.8550 -10.8539 -9.8740 -9.8728 -9.4912 -9.4910 -8.0677 -8.0674 -7.8085 -7.8081 -7.8047 -7.8045 -3.3876 -3.3875 -1.5911 -1.5911 -1.4307 -1.4300 -1.3979 -1.3971 0.4444 0.4444 1.1257 1.1282 1.1613 1.1638 2.5987 2.6012 2.6355 2.6358 2.6586 2.6588 2.6779 2.6807 3.9809 3.9811 9.3288 9.3288 10.2276 10.2276 11.1965 11.1970 11.2175 11.2179 11.7164 11.7170 k = 0.0417 0.0722 0.5601 ( 4550 PWs) bands (ev): -28.0684 -28.0684 -24.3610 -24.3610 -17.6329 -17.6329 -17.4683 -17.4683 -14.4241 -14.4219 -14.4215 -14.4191 -10.8580 -10.8574 -9.8779 -9.8772 -9.4920 -9.4919 -8.0681 -8.0679 -7.8084 -7.8081 -7.8058 -7.8057 -3.3967 -3.3967 -1.5914 -1.5914 -1.4222 -1.4216 -1.3981 -1.3974 0.4445 0.4445 1.1257 1.1271 1.1612 1.1627 2.6170 2.6187 2.6420 2.6423 2.6584 2.6585 2.6863 2.6882 3.9933 3.9934 9.3143 9.3143 10.2131 10.2131 11.1867 11.1869 11.2077 11.2080 11.7256 11.7261 k = 0.0333 0.0577 0.5601 ( 4546 PWs) bands (ev): -28.0685 -28.0685 -24.3610 -24.3610 -17.6324 -17.6324 -17.4682 -17.4682 -14.4221 -14.4208 -14.4197 -14.4183 -10.8606 -10.8602 -9.8811 -9.8808 -9.4927 -9.4926 -8.0685 -8.0684 -7.8082 -7.8081 -7.8067 -7.8067 -3.4043 -3.4043 -1.5916 -1.5915 -1.4154 -1.4149 -1.3979 -1.3973 0.4446 0.4446 1.1256 1.1263 1.1611 1.1618 2.6312 2.6321 2.6474 2.6476 2.6582 2.6582 2.6943 2.6955 4.0037 4.0038 9.3022 9.3022 10.2011 10.2011 11.1786 11.1787 11.1997 11.1998 11.7373 11.7377 k = 0.0250 0.0433 0.5601 ( 4554 PWs) bands (ev): -28.0686 -28.0686 -24.3610 -24.3610 -17.6320 -17.6320 -17.4682 -17.4682 -14.4206 -14.4199 -14.4183 -14.4176 -10.8626 -10.8625 -9.8837 -9.8836 -9.4932 -9.4932 -8.0688 -8.0688 -7.8082 -7.8081 -7.8074 -7.8074 -3.4102 -3.4102 -1.5917 -1.5917 -1.4105 -1.4103 -1.3971 -1.3968 0.4446 0.4446 1.1254 1.1257 1.1609 1.1612 2.6414 2.6418 2.6517 2.6518 2.6581 2.6581 2.7015 2.7021 4.0119 4.0119 9.2926 9.2926 10.1919 10.1919 11.1722 11.1723 11.1934 11.1935 11.7511 11.7514 k = 0.0167 0.0289 0.5601 ( 4566 PWs) bands (ev): -28.0686 -28.0686 -24.3610 -24.3610 -17.6317 -17.6317 -17.4681 -17.4681 -14.4195 -14.4193 -14.4173 -14.4171 -10.8641 -10.8641 -9.8856 -9.8855 -9.4936 -9.4936 -8.0690 -8.0690 -7.8081 -7.8081 -7.8080 -7.8080 -3.4145 -3.4145 -1.5918 -1.5918 -1.4076 -1.4075 -1.3960 -1.3959 0.4447 0.4447 1.1251 1.1252 1.1607 1.1608 2.6482 2.6483 2.6545 2.6546 2.6582 2.6582 2.7073 2.7074 4.0178 4.0178 9.2857 9.2857 10.1852 10.1852 11.1676 11.1676 11.1889 11.1889 11.7659 11.7660 k = 0.0083 0.0144 0.5601 ( 4558 PWs) bands (ev): -28.0686 -28.0686 -24.3610 -24.3610 -17.6315 -17.6315 -17.4681 -17.4681 -14.4189 -14.4189 -14.4167 -14.4167 -10.8650 -10.8650 -9.8867 -9.8867 -9.4938 -9.4938 -8.0692 -8.0692 -7.8083 -7.8083 -7.8081 -7.8081 -3.4170 -3.4170 -1.5918 -1.5918 -1.4062 -1.4062 -1.3950 -1.3950 0.4447 0.4447 1.1250 1.1250 1.1605 1.1605 2.6520 2.6520 2.6560 2.6560 2.6585 2.6585 2.7109 2.7110 4.0214 4.0214 9.2816 9.2816 10.1812 10.1812 11.1649 11.1649 11.1862 11.1862 11.7790 11.7791 k = 0.0000 0.0000 0.5601 ( 4556 PWs) bands (ev): -28.0686 -28.0686 -24.3610 -24.3610 -17.6314 -17.6314 -17.4681 -17.4681 -14.4187 -14.4187 -14.4166 -14.4166 -10.8653 -10.8653 -9.8871 -9.8871 -9.4939 -9.4939 -8.0692 -8.0692 -7.8084 -7.8084 -7.8081 -7.8081 -3.4179 -3.4179 -1.5919 -1.5919 -1.4058 -1.4058 -1.3946 -1.3946 0.4447 0.4447 1.1249 1.1249 1.1605 1.1605 2.6532 2.6532 2.6563 2.6563 2.6588 2.6588 2.7122 2.7122 4.0225 4.0225 9.2802 9.2802 10.1799 10.1799 11.1640 11.1640 11.1853 11.1853 11.7849 11.7849 k = 0.5000 0.2887 0.5601 ( 4524 PWs) bands (ev): -28.0647 -28.0647 -24.3597 -24.3597 -17.6611 -17.6611 -17.4724 -17.4724 -14.5172 -14.5172 -14.4740 -14.4740 -10.7175 -10.7175 -9.6919 -9.6919 -9.4486 -9.4486 -8.0543 -8.0543 -7.8119 -7.8119 -7.7632 -7.7632 -2.9249 -2.9249 -1.7972 -1.7972 -1.5646 -1.5646 -1.3796 -1.3796 0.4364 0.4364 1.1162 1.1162 1.1551 1.1551 1.6760 1.6760 2.4306 2.4306 2.4787 2.4787 2.6751 2.6751 3.4959 3.4959 9.9277 9.9277 11.0660 11.0660 11.7511 11.7511 11.9107 11.9107 12.0695 12.0695 k = 0.5000 0.2887 0.5436 ( 4528 PWs) bands (ev): -28.0647 -28.0647 -24.3597 -24.3597 -17.6611 -17.6611 -17.4720 -17.4720 -14.5172 -14.5172 -14.4740 -14.4740 -10.7178 -10.7178 -9.6920 -9.6920 -9.4500 -9.4497 -8.0543 -8.0542 -7.8120 -7.8119 -7.7631 -7.7631 -2.9250 -2.9248 -1.7975 -1.7975 -1.5645 -1.5643 -1.3795 -1.3795 0.4390 0.4391 1.1164 1.1166 1.1554 1.1554 1.6759 1.6759 2.4309 2.4309 2.4787 2.4788 2.6748 2.6750 3.4959 3.4960 9.9273 9.9273 11.0624 11.0631 11.7496 11.7498 11.8936 11.9023 12.0759 12.0844 k = 0.5000 0.2887 0.5271 ( 4532 PWs) bands (ev): -28.0648 -28.0648 -24.3597 -24.3597 -17.6611 -17.6611 -17.4706 -17.4706 -14.5171 -14.5171 -14.4741 -14.4741 -10.7188 -10.7187 -9.6921 -9.6921 -9.4537 -9.4531 -8.0543 -8.0541 -7.8120 -7.8117 -7.7631 -7.7629 -2.9251 -2.9247 -1.7983 -1.7983 -1.5638 -1.5635 -1.3794 -1.3794 0.4468 0.4470 1.1172 1.1175 1.1564 1.1565 1.6756 1.6757 2.4318 2.4318 2.4787 2.4788 2.6742 2.6746 3.4959 3.4961 9.9259 9.9260 11.0523 11.0538 11.7452 11.7457 11.8603 11.8734 12.0986 12.1112 k = 0.5000 0.2887 0.5107 ( 4532 PWs) bands (ev): -28.0650 -28.0650 -24.3598 -24.3598 -17.6612 -17.6611 -17.4684 -17.4684 -14.5170 -14.5170 -14.4741 -14.4741 -10.7205 -10.7203 -9.6923 -9.6923 -9.4596 -9.4588 -8.0542 -8.0539 -7.8119 -7.8116 -7.7629 -7.7627 -2.9252 -2.9247 -1.7996 -1.7995 -1.5626 -1.5622 -1.3791 -1.3791 0.4598 0.4601 1.1186 1.1190 1.1581 1.1582 1.6752 1.6753 2.4333 2.4334 2.4787 2.4789 2.6733 2.6738 3.4960 3.4963 9.9237 9.9239 11.0359 11.0380 11.7380 11.7388 11.8200 11.8349 12.1267 12.1407 k = 0.5000 0.2887 0.4942 ( 4544 PWs) bands (ev): -28.0651 -28.0651 -24.3598 -24.3598 -17.6612 -17.6612 -17.4653 -17.4653 -14.5168 -14.5168 -14.4742 -14.4742 -10.7228 -10.7225 -9.6926 -9.6925 -9.4679 -9.4667 -8.0541 -8.0538 -7.8118 -7.8114 -7.7626 -7.7623 -2.9253 -2.9246 -1.8014 -1.8013 -1.5609 -1.5604 -1.3787 -1.3787 0.4778 0.4783 1.1205 1.1210 1.1604 1.1605 1.6746 1.6747 2.4354 2.4355 2.4787 2.4791 2.6721 2.6727 3.4961 3.4965 9.9206 9.9209 11.0132 11.0158 11.7281 11.7292 11.7771 11.7926 12.1543 12.1682 k = 0.5000 0.2887 0.4777 ( 4536 PWs) bands (ev): -28.0654 -28.0654 -24.3599 -24.3599 -17.6613 -17.6612 -17.4614 -17.4613 -14.5166 -14.5166 -14.4743 -14.4743 -10.7257 -10.7254 -9.6929 -9.6928 -9.4782 -9.4768 -8.0539 -8.0535 -7.8117 -7.8111 -7.7623 -7.7619 -2.9255 -2.9246 -1.8036 -1.8035 -1.5588 -1.5582 -1.3782 -1.3782 0.5008 0.5014 1.1229 1.1236 1.1634 1.1635 1.6738 1.6740 2.4381 2.4382 2.4788 2.4792 2.6706 2.6713 3.4962 3.4967 9.9167 9.9171 10.9845 10.9874 11.7154 11.7171 11.7338 11.7497 12.1788 12.1917 k = 0.5000 0.2887 0.4612 ( 4536 PWs) bands (ev): -28.0657 -28.0657 -24.3599 -24.3599 -17.6614 -17.6613 -17.4567 -17.4566 -14.5163 -14.5163 -14.4745 -14.4744 -10.7293 -10.7290 -9.6933 -9.6932 -9.4905 -9.4888 -8.0537 -8.0532 -7.8115 -7.8108 -7.7619 -7.7614 -2.9256 -2.9246 -1.8063 -1.8062 -1.5562 -1.5555 -1.3776 -1.3776 0.5286 0.5292 1.1259 1.1267 1.1669 1.1671 1.6729 1.6732 2.4414 2.4415 2.4789 2.4794 2.6687 2.6696 3.4963 3.4969 9.9120 9.9125 10.9500 10.9532 11.6906 11.6972 11.7031 11.7100 12.1985 12.2096 k = 0.5000 0.2887 0.4448 ( 4538 PWs) bands (ev): -28.0660 -28.0660 -24.3600 -24.3600 -17.6614 -17.6614 -17.4511 -17.4510 -14.5160 -14.5159 -14.4746 -14.4746 -10.7335 -10.7331 -9.6938 -9.6937 -9.5046 -9.5027 -8.0534 -8.0529 -7.8113 -7.8105 -7.7614 -7.7609 -2.9258 -2.9246 -1.8094 -1.8093 -1.5532 -1.5525 -1.3769 -1.3768 0.5608 0.5616 1.1293 1.1303 1.1711 1.1713 1.6719 1.6722 2.4452 2.4453 2.4790 2.4796 2.6666 2.6676 3.4965 3.4972 9.9066 9.9072 10.9103 10.9135 11.6490 11.6612 11.6865 11.6871 12.2128 12.2213 k = 0.5000 0.2887 0.4283 ( 4534 PWs) bands (ev): -28.0664 -28.0664 -24.3601 -24.3601 -17.6615 -17.6615 -17.4449 -17.4447 -14.5157 -14.5156 -14.4748 -14.4748 -10.7384 -10.7380 -9.6944 -9.6943 -9.5204 -9.5183 -8.0530 -8.0525 -7.8110 -7.8102 -7.7608 -7.7602 -2.9259 -2.9246 -1.8129 -1.8127 -1.5498 -1.5490 -1.3761 -1.3760 0.5973 0.5982 1.1332 1.1343 1.1759 1.1761 1.6707 1.6711 2.4494 2.4495 2.4792 2.4799 2.6641 2.6653 3.4967 3.4975 9.9006 9.9012 10.8657 10.8689 11.6087 11.6209 11.6680 11.6682 12.2212 12.2266 k = 0.5000 0.2887 0.4118 ( 4540 PWs) bands (ev): -28.0668 -28.0668 -24.3602 -24.3601 -17.6617 -17.6616 -17.4379 -17.4378 -14.5152 -14.5151 -14.4749 -14.4749 -10.7440 -10.7435 -9.6952 -9.6950 -9.5376 -9.5352 -8.0527 -8.0521 -7.8107 -7.8098 -7.7602 -7.7596 -2.9261 -2.9247 -1.8167 -1.8165 -1.5461 -1.5452 -1.3752 -1.3752 0.6378 0.6388 1.1376 1.1387 1.1812 1.1814 1.6695 1.6699 2.4541 2.4542 2.4794 2.4802 2.6614 2.6627 3.4970 3.4978 9.8939 9.8946 10.8171 10.8201 11.5698 11.5813 11.6477 11.6483 12.2237 12.2258 k = 0.5000 0.2887 0.3953 ( 4548 PWs) bands (ev): -28.0673 -28.0673 -24.3602 -24.3602 -17.6618 -17.6617 -17.4303 -17.4302 -14.5148 -14.5147 -14.4752 -14.4751 -10.7501 -10.7496 -9.6961 -9.6958 -9.5559 -9.5534 -8.0523 -8.0517 -7.8104 -7.8094 -7.7595 -7.7588 -2.9263 -2.9248 -1.8208 -1.8206 -1.5421 -1.5412 -1.3743 -1.3742 0.6819 0.6830 1.1423 1.1435 1.1869 1.1872 1.6681 1.6687 2.4592 2.4593 2.4797 2.4806 2.6584 2.6598 3.4973 3.4981 9.8867 9.8875 10.7652 10.7678 11.5323 11.5428 11.6262 11.6269 12.2197 12.2208 k = 0.5000 0.2887 0.3789 ( 4534 PWs) bands (ev): -28.0678 -28.0678 -24.3603 -24.3603 -17.6619 -17.6618 -17.4221 -17.4220 -14.5143 -14.5142 -14.4754 -14.4753 -10.7569 -10.7564 -9.6972 -9.6968 -9.5752 -9.5724 -8.0518 -8.0512 -7.8100 -7.8090 -7.7587 -7.7580 -2.9265 -2.9249 -1.8251 -1.8249 -1.5378 -1.5368 -1.3732 -1.3731 0.7292 0.7305 1.1474 1.1487 1.1932 1.1935 1.6667 1.6673 2.4646 2.4646 2.4800 2.4810 2.6552 2.6567 3.4975 3.4985 9.8790 9.8798 10.7105 10.7129 11.4959 11.5054 11.6036 11.6044 12.2095 12.2132 k = 0.5000 0.2887 0.3624 ( 4534 PWs) bands (ev): -28.0683 -28.0683 -24.3604 -24.3604 -17.6620 -17.6619 -17.4134 -17.4132 -14.5138 -14.5137 -14.4756 -14.4756 -10.7643 -10.7637 -9.6986 -9.6981 -9.5951 -9.5921 -8.0513 -8.0507 -7.8096 -7.8085 -7.7579 -7.7572 -2.9268 -2.9250 -1.8296 -1.8293 -1.5333 -1.5322 -1.3721 -1.3720 0.7795 0.7809 1.1528 1.1542 1.1998 1.2001 1.6652 1.6660 2.4703 2.4703 2.4805 2.4816 2.6517 2.6533 3.4978 3.4988 9.8709 9.8718 10.6540 10.6560 11.4604 11.4689 11.5801 11.5809 12.1961 12.2020 k = 0.5000 0.2887 0.3459 ( 4542 PWs) bands (ev): -28.0688 -28.0688 -24.3606 -24.3606 -17.6621 -17.6620 -17.4042 -17.4041 -14.5133 -14.5132 -14.4758 -14.4758 -10.7723 -10.7717 -9.7004 -9.6998 -9.6152 -9.6119 -8.0508 -8.0502 -7.8092 -7.8081 -7.7571 -7.7563 -2.9270 -2.9252 -1.8343 -1.8340 -1.5286 -1.5275 -1.3710 -1.3709 0.8323 0.8339 1.1584 1.1599 1.2068 1.2071 1.6636 1.6645 2.4759 2.4759 2.4813 2.4825 2.6480 2.6498 3.4981 3.4991 9.8625 9.8635 10.5963 10.5978 11.4257 11.4331 11.5559 11.5567 12.1806 12.1879 k = 0.5000 0.2887 0.3295 ( 4534 PWs) bands (ev): -28.0694 -28.0694 -24.3607 -24.3607 -17.6623 -17.6622 -17.3947 -17.3945 -14.5128 -14.5126 -14.4761 -14.4760 -10.7808 -10.7802 -9.7031 -9.7023 -9.6349 -9.6314 -8.0503 -8.0497 -7.8087 -7.8076 -7.7562 -7.7554 -2.9273 -2.9254 -1.8391 -1.8388 -1.5237 -1.5226 -1.3698 -1.3697 0.8871 0.8888 1.1643 1.1659 1.2141 1.2144 1.6621 1.6631 2.4799 2.4803 2.4840 2.4849 2.6442 2.6460 3.4984 3.4995 9.8538 9.8549 10.5379 10.5391 11.3915 11.3980 11.5312 11.5320 12.1637 12.1720 k = 0.5000 0.2887 0.3130 ( 4538 PWs) bands (ev): -28.0700 -28.0700 -24.3608 -24.3608 -17.6624 -17.6623 -17.3848 -17.3847 -14.5122 -14.5121 -14.4763 -14.4763 -10.7899 -10.7893 -9.7073 -9.7062 -9.6532 -9.6495 -8.0497 -8.0491 -7.8083 -7.8071 -7.7553 -7.7545 -2.9276 -2.9257 -1.8440 -1.8436 -1.5187 -1.5176 -1.3686 -1.3685 0.9435 0.9454 1.1704 1.1720 1.2216 1.2220 1.6605 1.6617 2.4812 2.4821 2.4897 2.4902 2.6401 2.6420 3.4987 3.4998 9.8450 9.8462 10.4796 10.4804 11.3578 11.3633 11.5063 11.5071 12.1458 12.1548 k = 0.5000 0.2887 0.2965 ( 4530 PWs) bands (ev): -28.0706 -28.0706 -24.3609 -24.3609 -17.6625 -17.6624 -17.3748 -17.3746 -14.5116 -14.5115 -14.4766 -14.4766 -10.7994 -10.7988 -9.7143 -9.7132 -9.6686 -9.6649 -8.0491 -8.0486 -7.8078 -7.8066 -7.7544 -7.7535 -2.9279 -2.9260 -1.8489 -1.8485 -1.5136 -1.5125 -1.3673 -1.3672 1.0009 1.0031 1.1766 1.1783 1.2294 1.2297 1.6589 1.6603 2.4819 2.4830 2.4960 2.4964 2.6359 2.6379 3.4990 3.5001 9.8362 9.8373 10.4218 10.4223 11.3245 11.3290 11.4813 11.4821 12.1274 12.1367 k = 0.5000 0.2887 0.2800 ( 4534 PWs) bands (ev): -28.0712 -28.0712 -24.3610 -24.3610 -17.6627 -17.6626 -17.3646 -17.3644 -14.5111 -14.5109 -14.4768 -14.4768 -10.8094 -10.8087 -9.7253 -9.7246 -9.6792 -9.6759 -8.0486 -8.0480 -7.8073 -7.8061 -7.7534 -7.7526 -2.9282 -2.9263 -1.8537 -1.8533 -1.5085 -1.5074 -1.3660 -1.3659 1.0589 1.0613 1.1831 1.1849 1.2372 1.2375 1.6573 1.6589 2.4827 2.4839 2.5025 2.5028 2.6316 2.6336 3.4993 3.5004 9.8273 9.8286 10.3650 10.3651 11.2916 11.2952 11.4564 11.4571 12.1088 12.1182 k = 0.5000 0.2887 0.2636 ( 4538 PWs) bands (ev): -28.0718 -28.0718 -24.3612 -24.3612 -17.6628 -17.6627 -17.3543 -17.3542 -14.5105 -14.5103 -14.4771 -14.4771 -10.8196 -10.8190 -9.7401 -9.7401 -9.6853 -9.6828 -8.0480 -8.0474 -7.8068 -7.8056 -7.7525 -7.7516 -2.9285 -2.9266 -1.8585 -1.8581 -1.5034 -1.5023 -1.3648 -1.3647 1.1164 1.1191 1.1902 1.1920 1.2451 1.2455 1.6557 1.6576 2.4835 2.4848 2.5090 2.5093 2.6272 2.6292 3.4996 3.5007 9.8186 9.8199 10.3094 10.3096 11.2590 11.2619 11.4318 11.4326 12.0902 12.0996 k = 0.5000 0.2887 0.2471 ( 4538 PWs) bands (ev): -28.0723 -28.0723 -24.3613 -24.3613 -17.6630 -17.6629 -17.3441 -17.3440 -14.5099 -14.5098 -14.4773 -14.4773 -10.8301 -10.8295 -9.7574 -9.7569 -9.6889 -9.6869 -8.0474 -8.0469 -7.8063 -7.8051 -7.7515 -7.7507 -2.9289 -2.9270 -1.8633 -1.8628 -1.4984 -1.4973 -1.3635 -1.3634 1.1700 1.1727 1.2010 1.2025 1.2531 1.2535 1.6542 1.6564 2.4843 2.4857 2.5155 2.5157 2.6227 2.6248 3.4999 3.5009 9.8100 9.8114 10.2554 10.2559 11.2269 11.2291 11.4078 11.4085 12.0717 12.0811 k = 0.5000 0.2887 0.2306 ( 4540 PWs) bands (ev): -28.0729 -28.0729 -24.3614 -24.3614 -17.6631 -17.6630 -17.3340 -17.3339 -14.5093 -14.5092 -14.4776 -14.4776 -10.8408 -10.8402 -9.7753 -9.7745 -9.6912 -9.6896 -8.0468 -8.0463 -7.8057 -7.8047 -7.7506 -7.7498 -2.9292 -2.9273 -1.8678 -1.8673 -1.4934 -1.4924 -1.3623 -1.3622 1.1964 1.1968 1.2386 1.2403 1.2614 1.2620 1.6527 1.6552 2.4853 2.4867 2.5219 2.5221 2.6182 2.6203 3.5001 3.5012 9.8017 9.8032 10.2036 10.2043 11.1955 11.1970 11.3844 11.3851 12.0537 12.0628 k = 0.5000 0.2887 0.2141 ( 4544 PWs) bands (ev): -28.0735 -28.0735 -24.3615 -24.3615 -17.6633 -17.6632 -17.3241 -17.3240 -14.5088 -14.5087 -14.4778 -14.4778 -10.8515 -10.8509 -9.7929 -9.7919 -9.6928 -9.6914 -8.0462 -8.0458 -7.8053 -7.8042 -7.7497 -7.7489 -2.9296 -2.9277 -1.8722 -1.8717 -1.4886 -1.4876 -1.3610 -1.3610 1.2042 1.2052 1.2674 1.2676 1.2936 1.2968 1.6513 1.6543 2.4863 2.4877 2.5281 2.5283 2.6137 2.6158 3.5004 3.5014 9.7938 9.7954 10.1541 10.1551 11.1647 11.1657 11.3619 11.3625 12.0361 12.0451 k = 0.5000 0.2887 0.1977 ( 4542 PWs) bands (ev): -28.0740 -28.0740 -24.3616 -24.3616 -17.6634 -17.6633 -17.3145 -17.3144 -14.5083 -14.5081 -14.4781 -14.4780 -10.8622 -10.8616 -9.8098 -9.8087 -9.6940 -9.6929 -8.0457 -8.0453 -7.8048 -7.8038 -7.7488 -7.7480 -2.9299 -2.9282 -1.8764 -1.8759 -1.4840 -1.4830 -1.3599 -1.3598 1.2104 1.2115 1.2753 1.2755 1.3466 1.3504 1.6500 1.6535 2.4874 2.4888 2.5341 2.5343 2.6092 2.6113 3.5006 3.5016 9.7864 9.7880 10.1072 10.1084 11.1350 11.1354 11.3404 11.3409 12.0193 12.0279 k = 0.5000 0.2887 0.1812 ( 4542 PWs) bands (ev): -28.0745 -28.0745 -24.3617 -24.3617 -17.6635 -17.6634 -17.3053 -17.3053 -14.5078 -14.5076 -14.4783 -14.4783 -10.8727 -10.8721 -9.8257 -9.8246 -9.6950 -9.6940 -8.0452 -8.0448 -7.8043 -7.8034 -7.7479 -7.7472 -2.9302 -2.9286 -1.8804 -1.8799 -1.4796 -1.4787 -1.3587 -1.3587 1.2160 1.2171 1.2825 1.2827 1.3980 1.4024 1.6489 1.6530 2.4885 2.4900 2.5399 2.5400 2.6048 2.6068 3.5008 3.5017 9.7795 9.7812 10.0631 10.0646 11.1063 11.1064 11.3200 11.3205 12.0033 12.0116 k = 0.5000 0.2887 0.1647 ( 4532 PWs) bands (ev): -28.0750 -28.0750 -24.3618 -24.3618 -17.6636 -17.6636 -17.2966 -17.2965 -14.5073 -14.5072 -14.4785 -14.4785 -10.8828 -10.8823 -9.8405 -9.8394 -9.6958 -9.6949 -8.0446 -8.0443 -7.8038 -7.8030 -7.7471 -7.7464 -2.9305 -2.9290 -1.8841 -1.8836 -1.4754 -1.4745 -1.3577 -1.3576 1.2212 1.2223 1.2894 1.2895 1.4465 1.4519 1.6478 1.6528 2.4898 2.4912 2.5454 2.5455 2.6005 2.6025 3.5010 3.5019 9.7732 9.7750 10.0220 10.0237 11.0788 11.0791 11.3009 11.3014 11.9883 11.9961 k = 0.5000 0.2887 0.1483 ( 4534 PWs) bands (ev): -28.0755 -28.0755 -24.3619 -24.3619 -17.6637 -17.6637 -17.2885 -17.2884 -14.5069 -14.5067 -14.4787 -14.4787 -10.8925 -10.8920 -9.8541 -9.8531 -9.6964 -9.6957 -8.0442 -8.0439 -7.8034 -7.8026 -7.7464 -7.7457 -2.9309 -2.9294 -1.8875 -1.8871 -1.4715 -1.4707 -1.3567 -1.3566 1.2260 1.2271 1.2957 1.2959 1.4916 1.4980 1.6471 1.6532 2.4910 2.4925 2.5505 2.5506 2.5963 2.5983 3.5012 3.5020 9.7677 9.7696 9.9840 9.9858 11.0529 11.0534 11.2833 11.2837 11.9744 11.9817 k = 0.5000 0.2887 0.1318 ( 4534 PWs) bands (ev): -28.0759 -28.0759 -24.3620 -24.3620 -17.6638 -17.6638 -17.2809 -17.2809 -14.5064 -14.5063 -14.4789 -14.4788 -10.9016 -10.9012 -9.8664 -9.8654 -9.6970 -9.6964 -8.0437 -8.0435 -7.8030 -7.8023 -7.7457 -7.7451 -2.9311 -2.9298 -1.8906 -1.8902 -1.4679 -1.4672 -1.3558 -1.3557 1.2304 1.2314 1.3016 1.3018 1.5323 1.5404 1.6467 1.6544 2.4924 2.4937 2.5552 2.5553 2.5924 2.5942 3.5013 3.5021 9.7630 9.7650 9.9492 9.9512 11.0289 11.0296 11.2671 11.2675 11.9617 11.9685 k = 0.5000 0.2887 0.1153 ( 4538 PWs) bands (ev): -28.0763 -28.0763 -24.3621 -24.3621 -17.6639 -17.6639 -17.2741 -17.2740 -14.5061 -14.5060 -14.4790 -14.4790 -10.9100 -10.9096 -9.8773 -9.8764 -9.6975 -9.6970 -8.0434 -8.0431 -7.8026 -7.8020 -7.7450 -7.7445 -2.9314 -2.9302 -1.8934 -1.8931 -1.4646 -1.4640 -1.3549 -1.3549 1.2344 1.2353 1.3069 1.3071 1.5675 1.5779 1.6471 1.6573 2.4937 2.4950 2.5595 2.5596 2.5887 2.5905 3.5015 3.5021 9.7592 9.7613 9.9177 9.9199 11.0071 11.0079 11.2526 11.2529 11.9504 11.9565 k = 0.5000 0.2887 0.0988 ( 4542 PWs) bands (ev): -28.0766 -28.0766 -24.3621 -24.3621 -17.6640 -17.6640 -17.2680 -17.2680 -14.5057 -14.5057 -14.4792 -14.4791 -10.9175 -10.9172 -9.8868 -9.8860 -9.6979 -9.6975 -8.0430 -8.0428 -7.8023 -7.8017 -7.7445 -7.7440 -2.9316 -2.9306 -1.8959 -1.8956 -1.4618 -1.4612 -1.3542 -1.3542 1.2379 1.2387 1.3116 1.3118 1.5954 1.6088 1.6500 1.6632 2.4950 2.4962 2.5633 2.5634 2.5854 2.5870 3.5016 3.5022 9.7564 9.7586 9.8897 9.8919 10.9877 10.9885 11.2399 11.2401 11.9404 11.9458 k = 0.5000 0.2887 0.0824 ( 4538 PWs) bands (ev): -28.0769 -28.0769 -24.3622 -24.3622 -17.6641 -17.6640 -17.2628 -17.2627 -14.5055 -14.5054 -14.4793 -14.4793 -10.9241 -10.9238 -9.8948 -9.8942 -9.6982 -9.6979 -8.0427 -8.0426 -7.8020 -7.8015 -7.7439 -7.7435 -2.9318 -2.9309 -1.8980 -1.8977 -1.4593 -1.4588 -1.3536 -1.3535 1.2410 1.2416 1.3157 1.3158 1.6141 1.6276 1.6604 1.6737 2.4962 2.4973 2.5666 2.5666 2.5825 2.5838 3.5018 3.5022 9.7547 9.7569 9.8650 9.8673 10.9709 10.9716 11.2289 11.2292 11.9320 11.9366 k = 0.5000 0.2887 0.0659 ( 4538 PWs) bands (ev): -28.0772 -28.0772 -24.3623 -24.3623 -17.6641 -17.6641 -17.2584 -17.2584 -14.5052 -14.5052 -14.4794 -14.4794 -10.9297 -10.9294 -9.9014 -9.9009 -9.6985 -9.6982 -8.0424 -8.0423 -7.8018 -7.8014 -7.7435 -7.7432 -2.9319 -2.9312 -1.8997 -1.8995 -1.4572 -1.4568 -1.3531 -1.3530 1.2435 1.2440 1.3191 1.3192 1.6242 1.6336 1.6787 1.6879 2.4973 2.4982 2.5694 2.5694 2.5800 2.5811 3.5019 3.5022 9.7542 9.7564 9.8439 9.8462 10.9569 10.9575 11.2199 11.2201 11.9251 11.9289 k = 0.5000 0.2887 0.0494 ( 4530 PWs) bands (ev): -28.0773 -28.0773 -24.3623 -24.3623 -17.6642 -17.6641 -17.2550 -17.2550 -14.5050 -14.5050 -14.4795 -14.4794 -10.9341 -10.9339 -9.9065 -9.9061 -9.6987 -9.6985 -8.0422 -8.0421 -7.8015 -7.8012 -7.7432 -7.7429 -2.9320 -2.9314 -1.9010 -1.9009 -1.4556 -1.4553 -1.3526 -1.3526 1.2455 1.2459 1.3218 1.3219 1.6292 1.6350 1.6964 1.7021 2.4983 2.4990 2.5715 2.5716 2.5780 2.5789 3.5020 3.5022 9.7549 9.7570 9.8264 9.8286 10.9458 10.9463 11.2128 11.2129 11.9198 11.9228 k = 0.5000 0.2887 0.0329 ( 4526 PWs) bands (ev): -28.0775 -28.0775 -24.3623 -24.3623 -17.6642 -17.6642 -17.2525 -17.2525 -14.5049 -14.5049 -14.4795 -14.4795 -10.9372 -10.9371 -9.9102 -9.9099 -9.6988 -9.6987 -8.0421 -8.0420 -7.8014 -7.8012 -7.7429 -7.7427 -2.9320 -2.9317 -1.9020 -1.9019 -1.4544 -1.4542 -1.3523 -1.3523 1.2470 1.2472 1.3238 1.3238 1.6319 1.6353 1.7099 1.7132 2.4991 2.4996 2.5731 2.5731 2.5766 2.5772 3.5020 3.5022 9.7565 9.7583 9.8130 9.8148 10.9379 10.9382 11.2077 11.2078 11.9162 11.9182 k = 0.5000 0.2887 0.0165 ( 4528 PWs) bands (ev): -28.0776 -28.0776 -24.3623 -24.3623 -17.6642 -17.6642 -17.2510 -17.2510 -14.5048 -14.5048 -14.4795 -14.4795 -10.9392 -10.9391 -9.9123 -9.9122 -9.6989 -9.6988 -8.0420 -8.0420 -7.8012 -7.8011 -7.7427 -7.7427 -2.9320 -2.9318 -1.9026 -1.9025 -1.4536 -1.4535 -1.3522 -1.3521 1.2479 1.2480 1.3250 1.3250 1.6334 1.6350 1.7185 1.7201 2.4996 2.4999 2.5741 2.5741 2.5757 2.5761 3.5021 3.5022 9.7586 9.7597 9.8043 9.8054 10.9331 10.9333 11.2046 11.2047 11.9142 11.9152 k = 0.5000 0.2887-0.0000 ( 4528 PWs) bands (ev): -28.0776 -28.0776 -24.3623 -24.3623 -17.6642 -17.6642 -17.2505 -17.2505 -14.5048 -14.5048 -14.4795 -14.4795 -10.9398 -10.9398 -9.9130 -9.9130 -9.6989 -9.6989 -8.0419 -8.0419 -7.8012 -7.8012 -7.7426 -7.7426 -2.9319 -2.9319 -1.9027 -1.9027 -1.4533 -1.4533 -1.3521 -1.3521 1.2482 1.2482 1.3254 1.3254 1.6344 1.6344 1.7219 1.7219 2.4999 2.4999 2.5744 2.5744 2.5756 2.5756 3.5022 3.5022 9.7599 9.7599 9.8016 9.8016 10.9315 10.9315 11.2036 11.2036 11.9139 11.9139 k = 0.3333 0.5774-0.0000 ( 4527 PWs) bands (ev): -28.0771 -28.0771 -24.3622 -24.3622 -17.6702 -17.6663 -17.2511 -17.2511 -14.6031 -14.5852 -14.4042 -14.4038 -10.9563 -10.9018 -9.9199 -9.8745 -9.7275 -9.6355 -8.0491 -8.0322 -7.8144 -7.7859 -7.7453 -7.7396 -2.7939 -2.7836 -2.0987 -2.0894 -1.4620 -1.4620 -1.2789 -1.2675 1.2302 1.2753 1.3008 1.3420 1.6930 1.7100 1.7171 1.7194 2.2733 2.2764 2.5193 2.5194 2.6275 2.6277 3.4050 3.4118 9.6466 9.6497 9.8764 9.8775 11.5055 11.5135 11.7353 11.7392 11.7462 11.7666 k = 0.3333 0.5774 0.0165 ( 4530 PWs) bands (ev): -28.0770 -28.0770 -24.3622 -24.3622 -17.6702 -17.6663 -17.2516 -17.2516 -14.6031 -14.5853 -14.4042 -14.4038 -10.9557 -10.9011 -9.9191 -9.8738 -9.7275 -9.6355 -8.0491 -8.0322 -7.8145 -7.7859 -7.7453 -7.7396 -2.7939 -2.7837 -2.0984 -2.0890 -1.4622 -1.4621 -1.2789 -1.2675 1.2296 1.2747 1.3006 1.3419 1.6919 1.7065 1.7176 1.7178 2.2734 2.2765 2.5192 2.5193 2.6276 2.6277 3.4050 3.4118 9.6469 9.6499 9.8791 9.8802 11.5071 11.5151 11.7070 11.7231 11.7672 11.7700 k = 0.3333 0.5774 0.0329 ( 4521 PWs) bands (ev): -28.0770 -28.0770 -24.3622 -24.3622 -17.6701 -17.6663 -17.2531 -17.2530 -14.6032 -14.5854 -14.4042 -14.4038 -10.9538 -10.8990 -9.9168 -9.8717 -9.7274 -9.6355 -8.0492 -8.0322 -7.8146 -7.7860 -7.7454 -7.7398 -2.7942 -2.7839 -2.0974 -2.0881 -1.4628 -1.4627 -1.2790 -1.2676 1.2278 1.2728 1.3002 1.3413 1.6876 1.6973 1.7132 1.7183 2.2735 2.2766 2.5190 2.5191 2.6277 2.6278 3.4050 3.4118 9.6477 9.6508 9.8870 9.8880 11.5118 11.5198 11.6794 11.6963 11.7683 11.7837 k = 0.3333 0.5774 0.0494 ( 4530 PWs) bands (ev): -28.0768 -28.0768 -24.3622 -24.3622 -17.6701 -17.6662 -17.2556 -17.2555 -14.6033 -14.5855 -14.4041 -14.4038 -10.9506 -10.8956 -9.9130 -9.8682 -9.7272 -9.6354 -8.0495 -8.0324 -7.8147 -7.7861 -7.7456 -7.7400 -2.7946 -2.7843 -2.0959 -2.0866 -1.4637 -1.4637 -1.2791 -1.2678 1.2249 1.2697 1.2993 1.3405 1.6778 1.6829 1.7086 1.7185 2.2736 2.2769 2.5186 2.5188 2.6279 2.6280 3.4049 3.4117 9.6494 9.6525 9.8999 9.9009 11.5196 11.5276 11.6543 11.6715 11.7701 11.7859 k = 0.3333 0.5774 0.0659 ( 4536 PWs) bands (ev): -28.0766 -28.0766 -24.3621 -24.3621 -17.6700 -17.6662 -17.2590 -17.2590 -14.6035 -14.5857 -14.4040 -14.4037 -10.9463 -10.8909 -9.9075 -9.8633 -9.7269 -9.6352 -8.0497 -8.0325 -7.8150 -7.7862 -7.7459 -7.7403 -2.7952 -2.7849 -2.0937 -2.0844 -1.4650 -1.4650 -1.2794 -1.2680 1.2208 1.2654 1.2982 1.3392 1.6610 1.6633 1.7055 1.7183 2.2738 2.2772 2.5180 2.5183 2.6282 2.6282 3.4048 3.4117 9.6520 9.6551 9.9176 9.9186 11.5303 11.5382 11.6315 11.6489 11.7726 11.7886 k = 0.3333 0.5774 0.0824 ( 4542 PWs) bands (ev): -28.0764 -28.0764 -24.3621 -24.3621 -17.6700 -17.6661 -17.2634 -17.2633 -14.6038 -14.5860 -14.4040 -14.4036 -10.9409 -10.8849 -9.9006 -9.8569 -9.7265 -9.6351 -8.0501 -8.0327 -7.8153 -7.7864 -7.7463 -7.7406 -2.7960 -2.7856 -2.0910 -2.0817 -1.4667 -1.4666 -1.2796 -1.2683 1.2157 1.2599 1.2968 1.3377 1.6377 1.6385 1.7035 1.7179 2.2741 2.2776 2.5172 2.5177 2.6286 2.6286 3.4047 3.4116 9.6557 9.6589 9.9398 9.9408 11.5437 11.5516 11.6111 11.6287 11.7758 11.7919 k = 0.3333 0.5774 0.0988 ( 4530 PWs) bands (ev): -28.0761 -28.0761 -24.3620 -24.3620 -17.6699 -17.6660 -17.2686 -17.2685 -14.6041 -14.5863 -14.4038 -14.4035 -10.9344 -10.8778 -9.8921 -9.8492 -9.7261 -9.6349 -8.0505 -8.0329 -7.8157 -7.7866 -7.7467 -7.7410 -2.7969 -2.7865 -2.0877 -2.0784 -1.4687 -1.4686 -1.2800 -1.2686 1.2095 1.2534 1.2950 1.3358 1.6088 1.6088 1.7021 1.7173 2.2745 2.2782 2.5163 2.5170 2.6290 2.6291 3.4046 3.4115 9.6607 9.6639 9.9663 9.9672 11.5596 11.5675 11.5931 11.6107 11.7797 11.7960 k = 0.3333 0.5774 0.1153 ( 4530 PWs) bands (ev): -28.0758 -28.0758 -24.3620 -24.3619 -17.6698 -17.6659 -17.2747 -17.2746 -14.6045 -14.5867 -14.4037 -14.4033 -10.9270 -10.8697 -9.8822 -9.8401 -9.7256 -9.6346 -8.0510 -8.0332 -7.8161 -7.7869 -7.7472 -7.7415 -2.7980 -2.7875 -2.0839 -2.0746 -1.4710 -1.4709 -1.2803 -1.2690 1.2023 1.2458 1.2930 1.3337 1.5744 1.5749 1.7009 1.7166 2.2749 2.2788 2.5152 2.5160 2.6296 2.6297 3.4045 3.4114 9.6672 9.6704 9.9967 9.9976 11.5757 11.5792 11.5856 11.5949 11.7844 11.8007 k = 0.3333 0.5774 0.1318 ( 4518 PWs) bands (ev): -28.0754 -28.0754 -24.3619 -24.3619 -17.6696 -17.6658 -17.2815 -17.2814 -14.6049 -14.5872 -14.4035 -14.4032 -10.9188 -10.8607 -9.8707 -9.8296 -9.7250 -9.6344 -8.0516 -8.0335 -7.8165 -7.7871 -7.7478 -7.7421 -2.7992 -2.7887 -2.0796 -2.0703 -1.4737 -1.4734 -1.2808 -1.2695 1.1943 1.2373 1.2906 1.3312 1.5357 1.5365 1.6997 1.7158 2.2755 2.2795 2.5139 2.5150 2.6302 2.6304 3.4043 3.4113 9.6752 9.6784 10.0310 10.0318 11.5632 11.5812 11.5980 11.6056 11.7898 11.8062 k = 0.3333 0.5774 0.1483 ( 4524 PWs) bands (ev): -28.0750 -28.0750 -24.3618 -24.3618 -17.6695 -17.6656 -17.2890 -17.2890 -14.6054 -14.5877 -14.4034 -14.4030 -10.9098 -10.8509 -9.8578 -9.8178 -9.7244 -9.6341 -8.0522 -8.0338 -7.8171 -7.7874 -7.7485 -7.7427 -2.8005 -2.7899 -2.0748 -2.0655 -1.4766 -1.4763 -1.2813 -1.2700 1.1853 1.2279 1.2880 1.3285 1.4930 1.4940 1.6986 1.7149 2.2761 2.2803 2.5124 2.5137 2.6310 2.6313 3.4041 3.4112 9.6847 9.6879 10.0687 10.0696 11.5514 11.5695 11.6197 11.6273 11.7958 11.8124 k = 0.3333 0.5774 0.1647 ( 4524 PWs) bands (ev): -28.0745 -28.0745 -24.3617 -24.3617 -17.6693 -17.6655 -17.2972 -17.2971 -14.6059 -14.5882 -14.4032 -14.4028 -10.9003 -10.8405 -9.8436 -9.8047 -9.7237 -9.6337 -8.0529 -8.0341 -7.8177 -7.7877 -7.7492 -7.7434 -2.8019 -2.7913 -2.0695 -2.0602 -1.4798 -1.4794 -1.2818 -1.2705 1.1757 1.2178 1.2850 1.3256 1.4467 1.4479 1.6974 1.7140 2.2768 2.2812 2.5108 2.5123 2.6318 2.6322 3.4039 3.4110 9.6957 9.6989 10.1099 10.1108 11.5414 11.5596 11.6428 11.6503 11.8027 11.8193 k = 0.3333 0.5774 0.1812 ( 4530 PWs) bands (ev): -28.0740 -28.0740 -24.3616 -24.3616 -17.6692 -17.6653 -17.3059 -17.3058 -14.6065 -14.5887 -14.4030 -14.4026 -10.8904 -10.8296 -9.8279 -9.7903 -9.7229 -9.6334 -8.0537 -8.0345 -7.8183 -7.7881 -7.7499 -7.7442 -2.8035 -2.7927 -2.0639 -2.0546 -1.4832 -1.4827 -1.2823 -1.2711 1.1653 1.2069 1.2816 1.3224 1.3972 1.3988 1.6962 1.7129 2.2776 2.2822 2.5090 2.5108 2.6328 2.6333 3.4037 3.4109 9.7081 9.7112 10.1544 10.1552 11.5332 11.5515 11.6669 11.6742 11.8102 11.8269 k = 0.3333 0.5774 0.1977 ( 4542 PWs) bands (ev): -28.0735 -28.0735 -24.3615 -24.3615 -17.6690 -17.6651 -17.3151 -17.3150 -14.6071 -14.5893 -14.4028 -14.4024 -10.8802 -10.8183 -9.8111 -9.7746 -9.7221 -9.6331 -8.0544 -8.0349 -7.8190 -7.7885 -7.7507 -7.7449 -2.8051 -2.7943 -2.0579 -2.0487 -1.4868 -1.4862 -1.2829 -1.2718 1.1544 1.1955 1.2773 1.3191 1.3451 1.3478 1.6950 1.7118 2.2784 2.2832 2.5070 2.5090 2.6338 2.6344 3.4035 3.4107 9.7218 9.7249 10.2019 10.2027 11.5266 11.5450 11.6916 11.6989 11.8185 11.8353 k = 0.3333 0.5774 0.2141 ( 4542 PWs) bands (ev): -28.0730 -28.0730 -24.3614 -24.3614 -17.6688 -17.6650 -17.3247 -17.3246 -14.6077 -14.5900 -14.4026 -14.4022 -10.8697 -10.8069 -9.7930 -9.7579 -9.7213 -9.6327 -8.0553 -8.0353 -7.8197 -7.7888 -7.7516 -7.7457 -2.8068 -2.7959 -2.0517 -2.0424 -1.4905 -1.4899 -1.2836 -1.2724 1.1428 1.1836 1.2679 1.2908 1.2994 1.3156 1.6938 1.7107 2.2793 2.2843 2.5048 2.5071 2.6350 2.6356 3.4033 3.4105 9.7368 9.7398 10.2523 10.2532 11.5214 11.5400 11.7168 11.7238 11.8275 11.8443 k = 0.3333 0.5774 0.2306 ( 4542 PWs) bands (ev): -28.0724 -28.0724 -24.3613 -24.3613 -17.6687 -17.6648 -17.3346 -17.3345 -14.6083 -14.5906 -14.4024 -14.4020 -10.8592 -10.7953 -9.7739 -9.7401 -9.7204 -9.6323 -8.0561 -8.0357 -7.8204 -7.7892 -7.7524 -7.7466 -2.8085 -2.7975 -2.0452 -2.0359 -1.4944 -1.4937 -1.2842 -1.2731 1.1307 1.1714 1.2293 1.2350 1.2783 1.3119 1.6925 1.7095 2.2803 2.2854 2.5025 2.5051 2.6362 2.6370 3.4031 3.4103 9.7528 9.7557 10.3055 10.3065 11.5177 11.5363 11.7421 11.7489 11.8373 11.8542 k = 0.3333 0.5774 0.2471 ( 4548 PWs) bands (ev): -28.0718 -28.0718 -24.3611 -24.3611 -17.6685 -17.6646 -17.3447 -17.3446 -14.6090 -14.5913 -14.4022 -14.4018 -10.8488 -10.7838 -9.7539 -9.7214 -9.7196 -9.6319 -8.0570 -8.0362 -7.8212 -7.7896 -7.7533 -7.7474 -2.8103 -2.7992 -2.0385 -2.0292 -1.4984 -1.4976 -1.2849 -1.2738 1.1176 1.1588 1.1741 1.1787 1.2724 1.3082 1.6913 1.7083 2.2814 2.2867 2.5000 2.5029 2.6374 2.6383 3.4028 3.4102 9.7696 9.7724 10.3614 10.3624 11.5152 11.5339 11.7672 11.7737 11.8479 11.8647 k = 0.3333 0.5774 0.2636 ( 4545 PWs) bands (ev): -28.0713 -28.0713 -24.3610 -24.3610 -17.6683 -17.6644 -17.3549 -17.3548 -14.6096 -14.5920 -14.4019 -14.4015 -10.8384 -10.7724 -9.7331 -9.7187 -9.7019 -9.6315 -8.0579 -8.0366 -7.8219 -7.7900 -7.7542 -7.7483 -2.8121 -2.8009 -2.0317 -2.0224 -1.5025 -1.5016 -1.2856 -1.2745 1.0992 1.1165 1.1268 1.1462 1.2682 1.3044 1.6900 1.7072 2.2825 2.2879 2.4974 2.5005 2.6387 2.6397 3.4026 3.4100 9.7872 9.7899 10.4196 10.4207 11.5137 11.5326 11.7919 11.7980 11.8594 11.8761 k = 0.3333 0.5774 0.2800 ( 4551 PWs) bands (ev): -28.0707 -28.0707 -24.3609 -24.3609 -17.6681 -17.6642 -17.3651 -17.3650 -14.6103 -14.5927 -14.4017 -14.4013 -10.8284 -10.7614 -9.7178 -9.7116 -9.6818 -9.6310 -8.0588 -8.0370 -7.8227 -7.7904 -7.7551 -7.7492 -2.8139 -2.8026 -2.0248 -2.0155 -1.5066 -1.5056 -1.2862 -1.2752 1.0547 1.0582 1.1006 1.1335 1.2643 1.3005 1.6888 1.7060 2.2836 2.2892 2.4948 2.4981 2.6400 2.6411 3.4023 3.4098 9.8053 9.8078 10.4801 10.4813 11.5132 11.5322 11.8160 11.8216 11.8718 11.8883 k = 0.3333 0.5774 0.2965 ( 4545 PWs) bands (ev): -28.0701 -28.0701 -24.3608 -24.3608 -17.6679 -17.6640 -17.3753 -17.3752 -14.6110 -14.5933 -14.4015 -14.4010 -10.8186 -10.7506 -9.7168 -9.6898 -9.6612 -9.6306 -8.0597 -8.0374 -7.8234 -7.7908 -7.7560 -7.7500 -2.8157 -2.8043 -2.0179 -2.0086 -1.5107 -1.5095 -1.2869 -1.2759 0.9983 0.9999 1.0866 1.1209 1.2605 1.2966 1.6875 1.7048 2.2848 2.2906 2.4920 2.4955 2.6414 2.6426 3.4021 3.4096 9.8237 9.8260 10.5426 10.5438 11.5136 11.5327 11.8394 11.8443 11.8852 11.9013 k = 0.3333 0.5774 0.3130 ( 4539 PWs) bands (ev): -28.0695 -28.0695 -24.3606 -24.3606 -17.6677 -17.6638 -17.3854 -17.3853 -14.6116 -14.5940 -14.4012 -14.4008 -10.8092 -10.7403 -9.7159 -9.6676 -9.6403 -9.6302 -8.0606 -8.0378 -7.8242 -7.7911 -7.7569 -7.7509 -2.8174 -2.8060 -2.0110 -2.0018 -1.5147 -1.5135 -1.2876 -1.2766 0.9413 0.9423 1.0741 1.1085 1.2569 1.2928 1.6864 1.7036 2.2860 2.2919 2.4891 2.4929 2.6427 2.6440 3.4018 3.4094 9.8422 9.8444 10.6067 10.6081 11.5146 11.5338 11.8618 11.8659 11.8997 11.9152 k = 0.3333 0.5774 0.3295 ( 4545 PWs) bands (ev): -28.0689 -28.0689 -24.3605 -24.3605 -17.6675 -17.6636 -17.3952 -17.3951 -14.6123 -14.5947 -14.4010 -14.4006 -10.8003 -10.7306 -9.7150 -9.6455 -9.6298 -9.6193 -8.0615 -8.0382 -7.8249 -7.7915 -7.7578 -7.7517 -2.8192 -2.8077 -2.0043 -1.9950 -1.5187 -1.5174 -1.2882 -1.2773 0.8850 0.8857 1.0622 1.0963 1.2534 1.2891 1.6852 1.7025 2.2872 2.2933 2.4863 2.4902 2.6440 2.6455 3.4016 3.4092 9.8607 9.8626 10.6722 10.6737 11.5162 11.5355 11.8832 11.8862 11.9154 11.9302 k = 0.3333 0.5774 0.3459 ( 4542 PWs) bands (ev): -28.0683 -28.0683 -24.3604 -24.3604 -17.6673 -17.6634 -17.4048 -17.4046 -14.6129 -14.5953 -14.4008 -14.4004 -10.7919 -10.7213 -9.7142 -9.6294 -9.6236 -9.5985 -8.0623 -8.0385 -7.8257 -7.7919 -7.7586 -7.7525 -2.8208 -2.8093 -1.9976 -1.9884 -1.5226 -1.5211 -1.2889 -1.2779 0.8303 0.8308 1.0508 1.0845 1.2499 1.2854 1.6841 1.7014 2.2884 2.2947 2.4834 2.4875 2.6453 2.6468 3.4013 3.4090 9.8789 9.8806 10.7386 10.7402 11.5183 11.5377 11.9034 11.9054 11.9323 11.9463 k = 0.3333 0.5774 0.3624 ( 4527 PWs) bands (ev): -28.0678 -28.0678 -24.3603 -24.3603 -17.6671 -17.6632 -17.4139 -17.4138 -14.6135 -14.5960 -14.4006 -14.4001 -10.7841 -10.7127 -9.7133 -9.6290 -9.6020 -9.5780 -8.0631 -8.0389 -7.8264 -7.7922 -7.7594 -7.7533 -2.8225 -2.8108 -1.9913 -1.9820 -1.5263 -1.5248 -1.2895 -1.2786 0.7776 0.7780 1.0399 1.0732 1.2466 1.2819 1.6830 1.7004 2.2897 2.2960 2.4805 2.4848 2.6466 2.6482 3.4011 3.4088 9.8966 9.8981 10.8055 10.8072 11.5207 11.5402 11.9224 11.9236 11.9501 11.9637 k = 0.3333 0.5774 0.3789 ( 4527 PWs) bands (ev): -28.0673 -28.0673 -24.3602 -24.3602 -17.6670 -17.6630 -17.4227 -17.4225 -14.6141 -14.5966 -14.4004 -14.3999 -10.7768 -10.7047 -9.7125 -9.6286 -9.5811 -9.5581 -8.0639 -8.0392 -7.8270 -7.7925 -7.7602 -7.7541 -2.8240 -2.8123 -1.9851 -1.9759 -1.5298 -1.5282 -1.2901 -1.2792 0.7273 0.7277 1.0296 1.0624 1.2435 1.2785 1.6820 1.6994 2.2909 2.2973 2.4777 2.4822 2.6478 2.6495 3.4009 3.4086 9.9136 9.9150 10.8722 10.8741 11.5233 11.5429 11.9400 11.9411 11.9688 11.9825 k = 0.3333 0.5774 0.3953 ( 4527 PWs) bands (ev): -28.0668 -28.0668 -24.3601 -24.3601 -17.6668 -17.6629 -17.4309 -17.4307 -14.6146 -14.5971 -14.4002 -14.3997 -10.7701 -10.6974 -9.7118 -9.6283 -9.5611 -9.5389 -8.0647 -8.0395 -7.8277 -7.7928 -7.7609 -7.7548 -2.8254 -2.8136 -1.9794 -1.9701 -1.5332 -1.5315 -1.2907 -1.2798 0.6799 0.6802 1.0199 1.0523 1.2405 1.2753 1.6811 1.6985 2.2920 2.2986 2.4750 2.4796 2.6489 2.6507 3.4007 3.4084 9.9298 9.9310 10.9382 10.9402 11.5261 11.5458 11.9562 11.9578 11.9887 12.0031 k = 0.3333 0.5774 0.4118 ( 4545 PWs) bands (ev): -28.0663 -28.0663 -24.3600 -24.3600 -17.6667 -17.6627 -17.4385 -17.4383 -14.6152 -14.5976 -14.4000 -14.3995 -10.7640 -10.6908 -9.7111 -9.6280 -9.5422 -9.5208 -8.0654 -8.0398 -7.8283 -7.7931 -7.7616 -7.7554 -2.8268 -2.8149 -1.9740 -1.9647 -1.5363 -1.5346 -1.2912 -1.2803 0.6358 0.6361 1.0109 1.0429 1.2377 1.2723 1.6802 1.6977 2.2931 2.2998 2.4725 2.4771 2.6499 2.6518 3.4005 3.4083 9.9450 9.9460 11.0027 11.0048 11.5289 11.5486 11.9710 11.9734 12.0104 12.0258 k = 0.3333 0.5774 0.4283 ( 4545 PWs) bands (ev): -28.0659 -28.0659 -24.3599 -24.3599 -17.6666 -17.6626 -17.4455 -17.4453 -14.6156 -14.5981 -14.3998 -14.3994 -10.7586 -10.6848 -9.7104 -9.6277 -9.5246 -9.5040 -8.0660 -8.0400 -7.8289 -7.7933 -7.7622 -7.7560 -2.8280 -2.8161 -1.9690 -1.9598 -1.5392 -1.5374 -1.2917 -1.2808 0.5953 0.5956 1.0027 1.0343 1.2352 1.2695 1.6794 1.6969 2.2942 2.3010 2.4700 2.4748 2.6509 2.6528 3.4003 3.4081 9.9591 9.9599 11.0646 11.0668 11.5316 11.5515 11.9844 11.9876 12.0346 12.0510 k = 0.3333 0.5774 0.4448 ( 4545 PWs) bands (ev): -28.0655 -28.0655 -24.3598 -24.3598 -17.6664 -17.6624 -17.4517 -17.4515 -14.6161 -14.5986 -14.3997 -14.3992 -10.7538 -10.6796 -9.7098 -9.6274 -9.5086 -9.4886 -8.0666 -8.0402 -7.8294 -7.7935 -7.7628 -7.7566 -2.8291 -2.8171 -1.9645 -1.9553 -1.5418 -1.5399 -1.2921 -1.2813 0.5588 0.5590 0.9952 1.0265 1.2329 1.2671 1.6787 1.6962 2.2952 2.3021 2.4678 2.4727 2.6518 2.6538 3.4001 3.4080 9.9719 9.9725 11.1230 11.1253 11.5342 11.5541 11.9962 12.0001 12.0618 12.0790 k = 0.3333 0.5774 0.4612 ( 4545 PWs) bands (ev): -28.0652 -28.0652 -24.3598 -24.3598 -17.6663 -17.6623 -17.4573 -17.4571 -14.6164 -14.5989 -14.3995 -14.3991 -10.7496 -10.6750 -9.7093 -9.6272 -9.4942 -9.4748 -8.0671 -8.0404 -7.8298 -7.7937 -7.7633 -7.7571 -2.8301 -2.8181 -1.9605 -1.9513 -1.5440 -1.5421 -1.2925 -1.2817 0.5265 0.5267 0.9887 1.0197 1.2308 1.2649 1.6781 1.6956 2.2961 2.3030 2.4658 2.4707 2.6525 2.6546 3.4000 3.4079 9.9832 9.9836 11.1767 11.1792 11.5366 11.5566 12.0065 12.0109 12.0925 12.1103 k = 0.3333 0.5774 0.4777 ( 4539 PWs) bands (ev): -28.0649 -28.0649 -24.3597 -24.3597 -17.6662 -17.6622 -17.4620 -17.4618 -14.6168 -14.5993 -14.3994 -14.3990 -10.7460 -10.6712 -9.7089 -9.6270 -9.4818 -9.4628 -8.0675 -8.0406 -7.8302 -7.7938 -7.7637 -7.7575 -2.8309 -2.8189 -1.9570 -1.9478 -1.5460 -1.5440 -1.2928 -1.2820 0.4988 0.4989 0.9831 1.0138 1.2291 1.2630 1.6775 1.6951 2.2968 2.3039 2.4640 2.4690 2.6532 2.6553 3.3998 3.4078 9.9930 9.9933 11.2246 11.2272 11.5387 11.5588 12.0153 12.0201 12.1269 12.1451 k = 0.3333 0.5774 0.4942 ( 4539 PWs) bands (ev): -28.0647 -28.0647 -24.3596 -24.3596 -17.6662 -17.6622 -17.4660 -17.4657 -14.6170 -14.5996 -14.3993 -14.3989 -10.7431 -10.6681 -9.7085 -9.6268 -9.4714 -9.4528 -8.0679 -8.0407 -7.8305 -7.7940 -7.7641 -7.7578 -2.8316 -2.8195 -1.9542 -1.9450 -1.5476 -1.5456 -1.2931 -1.2823 0.4757 0.4759 0.9784 1.0089 1.2276 1.2614 1.6771 1.6947 2.2975 2.3046 2.4626 2.4676 2.6537 2.6559 3.3997 3.4077 10.0011 10.0013 11.2655 11.2682 11.5406 11.5606 12.0225 12.0275 12.1651 12.1834 k = 0.3333 0.5774 0.5107 ( 4545 PWs) bands (ev): -28.0645 -28.0645 -24.3596 -24.3596 -17.6661 -17.6621 -17.4691 -17.4688 -14.6173 -14.5998 -14.3993 -14.3988 -10.7409 -10.6656 -9.7082 -9.6267 -9.4631 -9.4448 -8.0682 -8.0408 -7.8308 -7.7941 -7.7644 -7.7581 -2.8322 -2.8200 -1.9519 -1.9427 -1.5489 -1.5469 -1.2933 -1.2825 0.4576 0.4578 0.9748 1.0051 1.2265 1.2602 1.6767 1.6943 2.2980 2.3052 2.4614 2.4665 2.6542 2.6563 3.3996 3.4076 10.0075 10.0076 11.2984 11.3012 11.5420 11.5621 12.0281 12.0333 12.2064 12.2246 k = 0.3333 0.5774 0.5271 ( 4545 PWs) bands (ev): -28.0643 -28.0643 -24.3596 -24.3596 -17.6661 -17.6621 -17.4713 -17.4711 -14.6174 -14.5999 -14.3992 -14.3988 -10.7393 -10.6639 -9.7080 -9.6266 -9.4572 -9.4391 -8.0684 -8.0409 -7.8309 -7.7941 -7.7646 -7.7583 -2.8326 -2.8204 -1.9503 -1.9411 -1.5499 -1.5478 -1.2935 -1.2827 0.4446 0.4447 0.9721 1.0024 1.2257 1.2593 1.6765 1.6941 2.2984 2.3056 2.4605 2.4656 2.6545 2.6567 3.3996 3.4076 10.0121 10.0122 11.3224 11.3254 11.5431 11.5632 12.0321 12.0375 12.2487 12.2666 k = 0.3333 0.5774 0.5436 ( 4533 PWs) bands (ev): -28.0642 -28.0642 -24.3596 -24.3596 -17.6660 -17.6620 -17.4726 -17.4724 -14.6175 -14.6000 -14.3992 -14.3987 -10.7383 -10.6628 -9.7078 -9.6265 -9.4536 -9.4356 -8.0685 -8.0409 -7.8310 -7.7942 -7.7647 -7.7584 -2.8328 -2.8206 -1.9493 -1.9401 -1.5504 -1.5483 -1.2935 -1.2828 0.4367 0.4369 0.9705 1.0007 1.2252 1.2587 1.6763 1.6940 2.2986 2.3059 2.4600 2.4651 2.6547 2.6569 3.3995 3.4075 10.0149 10.0150 11.3371 11.3401 11.5437 11.5639 12.0345 12.0399 12.2864 12.3037 k = 0.3333 0.5774 0.5601 ( 4530 PWs) bands (ev): -28.0642 -28.0642 -24.3596 -24.3596 -17.6660 -17.6620 -17.4731 -17.4728 -14.6175 -14.6001 -14.3992 -14.3987 -10.7380 -10.6625 -9.7078 -9.6265 -9.4524 -9.4345 -8.0686 -8.0409 -7.8311 -7.7942 -7.7647 -7.7584 -2.8329 -2.8207 -1.9490 -1.9398 -1.5506 -1.5485 -1.2936 -1.2828 0.4341 0.4342 0.9700 1.0001 1.2250 1.2586 1.6763 1.6939 2.2987 2.3060 2.4598 2.4650 2.6547 2.6570 3.3995 3.4075 10.0159 10.0159 11.3420 11.3450 11.5439 11.5641 12.0353 12.0408 12.3039 12.3208 Writing output data file KSrCO3F.save init_run : 1.32s CPU 0.81s WALL ( 1 calls) electrons : 343.93s CPU 244.36s WALL ( 1 calls) Called by init_run: wfcinit : 0.01s CPU 0.01s WALL ( 1 calls) potinit : 0.14s CPU 0.11s WALL ( 1 calls) Called by electrons: c_bands : 343.92s CPU 244.35s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.22s CPU 0.13s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.33s CPU 0.49s WALL ( 301 calls) cegterg : 305.03s CPU 221.66s WALL ( 474 calls) Called by sum_band: Called by *egterg: h_psi : 204.97s CPU 127.98s WALL ( 7821 calls) s_psi : 8.80s CPU 5.96s WALL ( 7821 calls) g_psi : 0.38s CPU 0.27s WALL ( 7046 calls) cdiaghg : 92.50s CPU 80.20s WALL ( 7347 calls) cegterg:over : 11.60s CPU 8.90s WALL ( 7046 calls) cegterg:upda : 10.46s CPU 8.47s WALL ( 7046 calls) cegterg:last : 4.75s CPU 4.11s WALL ( 1269 calls) cdiaghg:chol : 5.00s CPU 4.56s WALL ( 7347 calls) cdiaghg:inve : 3.75s CPU 3.14s WALL ( 7347 calls) cdiaghg:para : 5.74s CPU 5.22s WALL ( 14694 calls) Called by h_psi: h_psi:vloc : 182.92s CPU 112.53s WALL ( 7821 calls) h_psi:vnl : 21.52s CPU 15.14s WALL ( 7821 calls) add_vuspsi : 11.49s CPU 7.85s WALL ( 7821 calls) General routines calbec : 9.96s CPU 7.26s WALL ( 7821 calls) fft : 0.03s CPU 0.02s WALL ( 19 calls) ffts : 0.02s CPU 0.01s WALL ( 4 calls) fftw : 172.94s CPU 105.37s WALL ( 873072 calls) interpolate : 0.02s CPU 0.02s WALL ( 4 calls) davcio : 0.40s CPU 1.00s WALL ( 602 calls) Parallel routines fft_scatter : 62.82s CPU 43.49s WALL ( 873095 calls) PWSCF : 6m 2.72s CPU 4m33.87s WALL This run was terminated on: 15:46:42 10Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=