Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18: 1:14 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./K2PdF6.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 file Pd.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 5S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 121 52 15 5315 1509 231 Max 122 53 16 5318 1523 234 Sum 4381 1903 547 191381 54565 8345 bravais-lattice index = 14 lattice parameter (alat) = 10.8036 a.u. unit-cell volume = 891.4589 (a.u.)^3 number of atoms/cell = 9 number of atomic types = 3 number of electrons = 78.00 number of Kohn-Sham states= 94 kinetic-energy cutoff = 59.0000 Ry charge density cutoff = 545.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.803563 celldm(2)= 1.000000 celldm(3)= 0.816337 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 0.816337 ) 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 1.224984 ) PseudoPot. # 1 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. # 2 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. # 3 for Pd read from file: /users/gautes/Pseudo/Pd.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 7926b04c0aa9b348bf6cb39d90ce6236 Pseudo is Ultrasoft + core correction, Zval = 18.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1235 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 F 7.00 18.99840 F( 1.00) K 9.00 39.09830 K( 1.00) Pd 18.00 106.42000 Pd( 1.00) 12 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] 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 [0,1,0] cryst. s( 5) = ( -1 -1 0 ) ( 0 1 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 [1,1,0] cryst. s( 6) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [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. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [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_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 287 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034843 k( 2) = ( 0.0156250 0.0090211 -0.0000000), wk = 0.0034843 k( 3) = ( 0.0312500 0.0180422 -0.0000000), wk = 0.0034843 k( 4) = ( 0.0468750 0.0270633 -0.0000000), wk = 0.0034843 k( 5) = ( 0.0625000 0.0360844 -0.0000000), wk = 0.0034843 k( 6) = ( 0.0781250 0.0451055 -0.0000000), wk = 0.0034843 k( 7) = ( 0.0937500 0.0541266 -0.0000000), wk = 0.0034843 k( 8) = ( 0.1093750 0.0631477 -0.0000000), wk = 0.0034843 k( 9) = ( 0.1250000 0.0721688 -0.0000000), wk = 0.0034843 k( 10) = ( 0.1406250 0.0811899 -0.0000000), wk = 0.0034843 k( 11) = ( 0.1562500 0.0902110 -0.0000000), wk = 0.0034843 k( 12) = ( 0.1718750 0.0992321 -0.0000000), wk = 0.0034843 k( 13) = ( 0.1875000 0.1082532 -0.0000000), wk = 0.0034843 k( 14) = ( 0.2031250 0.1172743 -0.0000000), wk = 0.0034843 k( 15) = ( 0.2187500 0.1262954 -0.0000000), wk = 0.0034843 k( 16) = ( 0.2343750 0.1353165 -0.0000000), wk = 0.0034843 k( 17) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0034843 k( 18) = ( 0.2656250 0.1533587 -0.0000000), wk = 0.0034843 k( 19) = ( 0.2812500 0.1623798 -0.0000000), wk = 0.0034843 k( 20) = ( 0.2968750 0.1714009 -0.0000000), wk = 0.0034843 k( 21) = ( 0.3125000 0.1804220 -0.0000000), wk = 0.0034843 k( 22) = ( 0.3281250 0.1894431 -0.0000000), wk = 0.0034843 k( 23) = ( 0.3437500 0.1984642 -0.0000000), wk = 0.0034843 k( 24) = ( 0.3593750 0.2074853 -0.0000000), wk = 0.0034843 k( 25) = ( 0.3750000 0.2165064 -0.0000000), wk = 0.0034843 k( 26) = ( 0.3906250 0.2255274 -0.0000000), wk = 0.0034843 k( 27) = ( 0.4062500 0.2345485 -0.0000000), wk = 0.0034843 k( 28) = ( 0.4218750 0.2435696 -0.0000000), wk = 0.0034843 k( 29) = ( 0.4375000 0.2525907 -0.0000000), wk = 0.0034843 k( 30) = ( 0.4531250 0.2616118 -0.0000000), wk = 0.0034843 k( 31) = ( 0.4687500 0.2706329 -0.0000000), wk = 0.0034843 k( 32) = ( 0.4843750 0.2796540 -0.0000000), wk = 0.0034843 k( 33) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0034843 k( 34) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0034843 k( 35) = ( 0.4912281 0.3038686 -0.0000000), wk = 0.0034843 k( 36) = ( 0.4824561 0.3190620 -0.0000000), wk = 0.0034843 k( 37) = ( 0.4736842 0.3342554 -0.0000000), wk = 0.0034843 k( 38) = ( 0.4649123 0.3494488 -0.0000000), wk = 0.0034843 k( 39) = ( 0.4561404 0.3646423 -0.0000000), wk = 0.0034843 k( 40) = ( 0.4473684 0.3798357 -0.0000000), wk = 0.0034843 k( 41) = ( 0.4385965 0.3950291 -0.0000000), wk = 0.0034843 k( 42) = ( 0.4298246 0.4102226 -0.0000000), wk = 0.0034843 k( 43) = ( 0.4210526 0.4254160 -0.0000000), wk = 0.0034843 k( 44) = ( 0.4122807 0.4406094 -0.0000000), wk = 0.0034843 k( 45) = ( 0.4035088 0.4558028 -0.0000000), wk = 0.0034843 k( 46) = ( 0.3947368 0.4709963 -0.0000000), wk = 0.0034843 k( 47) = ( 0.3859649 0.4861897 -0.0000000), wk = 0.0034843 k( 48) = ( 0.3771930 0.5013831 -0.0000000), wk = 0.0034843 k( 49) = ( 0.3684211 0.5165765 -0.0000000), wk = 0.0034843 k( 50) = ( 0.3596491 0.5317700 -0.0000000), wk = 0.0034843 k( 51) = ( 0.3508772 0.5469634 -0.0000000), wk = 0.0034843 k( 52) = ( 0.3421053 0.5621568 -0.0000000), wk = 0.0034843 k( 53) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0034843 k( 54) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0034843 k( 55) = ( 0.3243243 0.5617462 -0.0000000), wk = 0.0034843 k( 56) = ( 0.3153153 0.5461422 -0.0000000), wk = 0.0034843 k( 57) = ( 0.3063063 0.5305381 -0.0000000), wk = 0.0034843 k( 58) = ( 0.2972973 0.5149340 -0.0000000), wk = 0.0034843 k( 59) = ( 0.2882883 0.4993300 -0.0000000), wk = 0.0034843 k( 60) = ( 0.2792793 0.4837259 -0.0000000), wk = 0.0034843 k( 61) = ( 0.2702703 0.4681218 -0.0000000), wk = 0.0034843 k( 62) = ( 0.2612613 0.4525178 -0.0000000), wk = 0.0034843 k( 63) = ( 0.2522523 0.4369137 -0.0000000), wk = 0.0034843 k( 64) = ( 0.2432432 0.4213097 -0.0000000), wk = 0.0034843 k( 65) = ( 0.2342342 0.4057056 -0.0000000), wk = 0.0034843 k( 66) = ( 0.2252252 0.3901015 -0.0000000), wk = 0.0034843 k( 67) = ( 0.2162162 0.3744975 -0.0000000), wk = 0.0034843 k( 68) = ( 0.2072072 0.3588934 -0.0000000), wk = 0.0034843 k( 69) = ( 0.1981982 0.3432894 -0.0000000), wk = 0.0034843 k( 70) = ( 0.1891892 0.3276853 -0.0000000), wk = 0.0034843 k( 71) = ( 0.1801802 0.3120812 -0.0000000), wk = 0.0034843 k( 72) = ( 0.1711712 0.2964772 -0.0000000), wk = 0.0034843 k( 73) = ( 0.1621622 0.2808731 -0.0000000), wk = 0.0034843 k( 74) = ( 0.1531531 0.2652690 -0.0000000), wk = 0.0034843 k( 75) = ( 0.1441441 0.2496650 -0.0000000), wk = 0.0034843 k( 76) = ( 0.1351351 0.2340609 -0.0000000), wk = 0.0034843 k( 77) = ( 0.1261261 0.2184569 -0.0000000), wk = 0.0034843 k( 78) = ( 0.1171171 0.2028528 -0.0000000), wk = 0.0034843 k( 79) = ( 0.1081081 0.1872487 -0.0000000), wk = 0.0034843 k( 80) = ( 0.0990991 0.1716447 -0.0000000), wk = 0.0034843 k( 81) = ( 0.0900901 0.1560406 -0.0000000), wk = 0.0034843 k( 82) = ( 0.0810811 0.1404366 -0.0000000), wk = 0.0034843 k( 83) = ( 0.0720721 0.1248325 -0.0000000), wk = 0.0034843 k( 84) = ( 0.0630631 0.1092284 -0.0000000), wk = 0.0034843 k( 85) = ( 0.0540540 0.0936244 -0.0000000), wk = 0.0034843 k( 86) = ( 0.0450451 0.0780203 -0.0000000), wk = 0.0034843 k( 87) = ( 0.0360360 0.0624163 -0.0000000), wk = 0.0034843 k( 88) = ( 0.0270270 0.0468122 -0.0000000), wk = 0.0034843 k( 89) = ( 0.0180180 0.0312081 -0.0000000), wk = 0.0034843 k( 90) = ( 0.0090090 0.0156041 -0.0000000), wk = 0.0034843 k( 91) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034843 k( 92) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034843 k( 93) = ( 0.0000000 0.0000000 0.0180145), wk = 0.0034843 k( 94) = ( 0.0000000 0.0000000 0.0360289), wk = 0.0034843 k( 95) = ( 0.0000000 0.0000000 0.0540434), wk = 0.0034843 k( 96) = ( 0.0000000 0.0000000 0.0720579), wk = 0.0034843 k( 97) = ( 0.0000000 0.0000000 0.0900723), wk = 0.0034843 k( 98) = ( 0.0000000 0.0000000 0.1080868), wk = 0.0034843 k( 99) = ( 0.0000000 0.0000000 0.1261013), wk = 0.0034843 k( 100) = ( 0.0000000 0.0000000 0.1441158), wk = 0.0034843 k( 101) = ( 0.0000000 0.0000000 0.1621302), wk = 0.0034843 k( 102) = ( 0.0000000 0.0000000 0.1801447), wk = 0.0034843 k( 103) = ( 0.0000000 0.0000000 0.1981592), wk = 0.0034843 k( 104) = ( 0.0000000 0.0000000 0.2161736), wk = 0.0034843 k( 105) = ( 0.0000000 0.0000000 0.2341881), wk = 0.0034843 k( 106) = ( 0.0000000 0.0000000 0.2522026), wk = 0.0034843 k( 107) = ( 0.0000000 0.0000000 0.2702170), wk = 0.0034843 k( 108) = ( 0.0000000 0.0000000 0.2882315), wk = 0.0034843 k( 109) = ( 0.0000000 0.0000000 0.3062460), wk = 0.0034843 k( 110) = ( 0.0000000 0.0000000 0.3242604), wk = 0.0034843 k( 111) = ( 0.0000000 0.0000000 0.3422749), wk = 0.0034843 k( 112) = ( 0.0000000 0.0000000 0.3602894), wk = 0.0034843 k( 113) = ( 0.0000000 0.0000000 0.3783039), wk = 0.0034843 k( 114) = ( 0.0000000 0.0000000 0.3963183), wk = 0.0034843 k( 115) = ( 0.0000000 0.0000000 0.4143328), wk = 0.0034843 k( 116) = ( 0.0000000 0.0000000 0.4323473), wk = 0.0034843 k( 117) = ( 0.0000000 0.0000000 0.4503617), wk = 0.0034843 k( 118) = ( 0.0000000 0.0000000 0.4683762), wk = 0.0034843 k( 119) = ( 0.0000000 0.0000000 0.4863907), wk = 0.0034843 k( 120) = ( 0.0000000 0.0000000 0.5044052), wk = 0.0034843 k( 121) = ( 0.0000000 0.0000000 0.5224196), wk = 0.0034843 k( 122) = ( 0.0000000 0.0000000 0.5404341), wk = 0.0034843 k( 123) = ( 0.0000000 0.0000000 0.5584486), wk = 0.0034843 k( 124) = ( 0.0000000 0.0000000 0.5764630), wk = 0.0034843 k( 125) = ( 0.0000000 0.0000000 0.5944775), wk = 0.0034843 k( 126) = ( 0.0000000 0.0000000 0.6124920), wk = 0.0034843 k( 127) = ( 0.0000000 0.0000000 0.6124920), wk = 0.0034843 k( 128) = ( 0.0156250 0.0090211 0.6124920), wk = 0.0034843 k( 129) = ( 0.0312500 0.0180422 0.6124920), wk = 0.0034843 k( 130) = ( 0.0468750 0.0270633 0.6124920), wk = 0.0034843 k( 131) = ( 0.0625000 0.0360844 0.6124920), wk = 0.0034843 k( 132) = ( 0.0781250 0.0451055 0.6124920), wk = 0.0034843 k( 133) = ( 0.0937500 0.0541266 0.6124920), wk = 0.0034843 k( 134) = ( 0.1093750 0.0631477 0.6124920), wk = 0.0034843 k( 135) = ( 0.1250000 0.0721688 0.6124920), wk = 0.0034843 k( 136) = ( 0.1406250 0.0811899 0.6124920), wk = 0.0034843 k( 137) = ( 0.1562500 0.0902110 0.6124920), wk = 0.0034843 k( 138) = ( 0.1718750 0.0992321 0.6124920), wk = 0.0034843 k( 139) = ( 0.1875000 0.1082532 0.6124920), wk = 0.0034843 k( 140) = ( 0.2031250 0.1172743 0.6124920), wk = 0.0034843 k( 141) = ( 0.2187500 0.1262954 0.6124920), wk = 0.0034843 k( 142) = ( 0.2343750 0.1353165 0.6124920), wk = 0.0034843 k( 143) = ( 0.2500000 0.1443376 0.6124920), wk = 0.0034843 k( 144) = ( 0.2656250 0.1533587 0.6124920), wk = 0.0034843 k( 145) = ( 0.2812500 0.1623798 0.6124920), wk = 0.0034843 k( 146) = ( 0.2968750 0.1714009 0.6124920), wk = 0.0034843 k( 147) = ( 0.3125000 0.1804220 0.6124920), wk = 0.0034843 k( 148) = ( 0.3281250 0.1894431 0.6124920), wk = 0.0034843 k( 149) = ( 0.3437500 0.1984642 0.6124920), wk = 0.0034843 k( 150) = ( 0.3593750 0.2074853 0.6124920), wk = 0.0034843 k( 151) = ( 0.3750000 0.2165064 0.6124920), wk = 0.0034843 k( 152) = ( 0.3906250 0.2255274 0.6124920), wk = 0.0034843 k( 153) = ( 0.4062500 0.2345485 0.6124920), wk = 0.0034843 k( 154) = ( 0.4218750 0.2435696 0.6124920), wk = 0.0034843 k( 155) = ( 0.4375000 0.2525907 0.6124920), wk = 0.0034843 k( 156) = ( 0.4531250 0.2616118 0.6124920), wk = 0.0034843 k( 157) = ( 0.4687500 0.2706329 0.6124920), wk = 0.0034843 k( 158) = ( 0.4843750 0.2796540 0.6124920), wk = 0.0034843 k( 159) = ( 0.5000000 0.2886751 0.6124920), wk = 0.0034843 k( 160) = ( 0.5000000 0.2886751 0.6124920), wk = 0.0034843 k( 161) = ( 0.4912281 0.3038686 0.6124920), wk = 0.0034843 k( 162) = ( 0.4824561 0.3190620 0.6124920), wk = 0.0034843 k( 163) = ( 0.4736842 0.3342554 0.6124920), wk = 0.0034843 k( 164) = ( 0.4649123 0.3494488 0.6124920), wk = 0.0034843 k( 165) = ( 0.4561404 0.3646423 0.6124920), wk = 0.0034843 k( 166) = ( 0.4473684 0.3798357 0.6124920), wk = 0.0034843 k( 167) = ( 0.4385965 0.3950291 0.6124920), wk = 0.0034843 k( 168) = ( 0.4298246 0.4102226 0.6124920), wk = 0.0034843 k( 169) = ( 0.4210526 0.4254160 0.6124920), wk = 0.0034843 k( 170) = ( 0.4122807 0.4406094 0.6124920), wk = 0.0034843 k( 171) = ( 0.4035088 0.4558028 0.6124920), wk = 0.0034843 k( 172) = ( 0.3947368 0.4709963 0.6124920), wk = 0.0034843 k( 173) = ( 0.3859649 0.4861897 0.6124920), wk = 0.0034843 k( 174) = ( 0.3771930 0.5013831 0.6124920), wk = 0.0034843 k( 175) = ( 0.3684211 0.5165765 0.6124920), wk = 0.0034843 k( 176) = ( 0.3596491 0.5317700 0.6124920), wk = 0.0034843 k( 177) = ( 0.3508772 0.5469634 0.6124920), wk = 0.0034843 k( 178) = ( 0.3421053 0.5621568 0.6124920), wk = 0.0034843 k( 179) = ( 0.3333333 0.5773503 0.6124920), wk = 0.0034843 k( 180) = ( 0.3333333 0.5773503 0.6124920), wk = 0.0034843 k( 181) = ( 0.3243243 0.5617462 0.6124920), wk = 0.0034843 k( 182) = ( 0.3153153 0.5461422 0.6124920), wk = 0.0034843 k( 183) = ( 0.3063063 0.5305381 0.6124920), wk = 0.0034843 k( 184) = ( 0.2972973 0.5149340 0.6124920), wk = 0.0034843 k( 185) = ( 0.2882883 0.4993300 0.6124920), wk = 0.0034843 k( 186) = ( 0.2792793 0.4837259 0.6124920), wk = 0.0034843 k( 187) = ( 0.2702703 0.4681218 0.6124920), wk = 0.0034843 k( 188) = ( 0.2612613 0.4525178 0.6124920), wk = 0.0034843 k( 189) = ( 0.2522523 0.4369137 0.6124920), wk = 0.0034843 k( 190) = ( 0.2432432 0.4213097 0.6124920), wk = 0.0034843 k( 191) = ( 0.2342342 0.4057056 0.6124920), wk = 0.0034843 k( 192) = ( 0.2252252 0.3901015 0.6124920), wk = 0.0034843 k( 193) = ( 0.2162162 0.3744975 0.6124920), wk = 0.0034843 k( 194) = ( 0.2072072 0.3588934 0.6124920), wk = 0.0034843 k( 195) = ( 0.1981982 0.3432894 0.6124920), wk = 0.0034843 k( 196) = ( 0.1891892 0.3276853 0.6124920), wk = 0.0034843 k( 197) = ( 0.1801802 0.3120812 0.6124920), wk = 0.0034843 k( 198) = ( 0.1711712 0.2964772 0.6124920), wk = 0.0034843 k( 199) = ( 0.1621622 0.2808731 0.6124920), wk = 0.0034843 k( 200) = ( 0.1531531 0.2652690 0.6124920), wk = 0.0034843 k( 201) = ( 0.1441441 0.2496650 0.6124920), wk = 0.0034843 k( 202) = ( 0.1351351 0.2340609 0.6124920), wk = 0.0034843 k( 203) = ( 0.1261261 0.2184569 0.6124920), wk = 0.0034843 k( 204) = ( 0.1171171 0.2028528 0.6124920), wk = 0.0034843 k( 205) = ( 0.1081081 0.1872487 0.6124920), wk = 0.0034843 k( 206) = ( 0.0990991 0.1716447 0.6124920), wk = 0.0034843 k( 207) = ( 0.0900901 0.1560406 0.6124920), wk = 0.0034843 k( 208) = ( 0.0810811 0.1404366 0.6124920), wk = 0.0034843 k( 209) = ( 0.0720721 0.1248325 0.6124920), wk = 0.0034843 k( 210) = ( 0.0630631 0.1092284 0.6124920), wk = 0.0034843 k( 211) = ( 0.0540540 0.0936244 0.6124920), wk = 0.0034843 k( 212) = ( 0.0450451 0.0780203 0.6124920), wk = 0.0034843 k( 213) = ( 0.0360360 0.0624163 0.6124920), wk = 0.0034843 k( 214) = ( 0.0270270 0.0468122 0.6124920), wk = 0.0034843 k( 215) = ( 0.0180180 0.0312081 0.6124920), wk = 0.0034843 k( 216) = ( 0.0090090 0.0156041 0.6124920), wk = 0.0034843 k( 217) = ( 0.0000000 0.0000000 0.6124920), wk = 0.0034843 k( 218) = ( 0.5000000 0.2886751 0.6124920), wk = 0.0034843 k( 219) = ( 0.5000000 0.2886751 0.5944775), wk = 0.0034843 k( 220) = ( 0.5000000 0.2886751 0.5764630), wk = 0.0034843 k( 221) = ( 0.5000000 0.2886751 0.5584486), wk = 0.0034843 k( 222) = ( 0.5000000 0.2886751 0.5404341), wk = 0.0034843 k( 223) = ( 0.5000000 0.2886751 0.5224196), wk = 0.0034843 k( 224) = ( 0.5000000 0.2886751 0.5044052), wk = 0.0034843 k( 225) = ( 0.5000000 0.2886751 0.4863907), wk = 0.0034843 k( 226) = ( 0.5000000 0.2886751 0.4683762), wk = 0.0034843 k( 227) = ( 0.5000000 0.2886751 0.4503617), wk = 0.0034843 k( 228) = ( 0.5000000 0.2886751 0.4323473), wk = 0.0034843 k( 229) = ( 0.5000000 0.2886751 0.4143328), wk = 0.0034843 k( 230) = ( 0.5000000 0.2886751 0.3963183), wk = 0.0034843 k( 231) = ( 0.5000000 0.2886751 0.3783039), wk = 0.0034843 k( 232) = ( 0.5000000 0.2886751 0.3602894), wk = 0.0034843 k( 233) = ( 0.5000000 0.2886751 0.3422749), wk = 0.0034843 k( 234) = ( 0.5000000 0.2886751 0.3242604), wk = 0.0034843 k( 235) = ( 0.5000000 0.2886751 0.3062460), wk = 0.0034843 k( 236) = ( 0.5000000 0.2886751 0.2882315), wk = 0.0034843 k( 237) = ( 0.5000000 0.2886751 0.2702170), wk = 0.0034843 k( 238) = ( 0.5000000 0.2886751 0.2522026), wk = 0.0034843 k( 239) = ( 0.5000000 0.2886751 0.2341881), wk = 0.0034843 k( 240) = ( 0.5000000 0.2886751 0.2161736), wk = 0.0034843 k( 241) = ( 0.5000000 0.2886751 0.1981592), wk = 0.0034843 k( 242) = ( 0.5000000 0.2886751 0.1801447), wk = 0.0034843 k( 243) = ( 0.5000000 0.2886751 0.1621302), wk = 0.0034843 k( 244) = ( 0.5000000 0.2886751 0.1441158), wk = 0.0034843 k( 245) = ( 0.5000000 0.2886751 0.1261013), wk = 0.0034843 k( 246) = ( 0.5000000 0.2886751 0.1080868), wk = 0.0034843 k( 247) = ( 0.5000000 0.2886751 0.0900723), wk = 0.0034843 k( 248) = ( 0.5000000 0.2886751 0.0720579), wk = 0.0034843 k( 249) = ( 0.5000000 0.2886751 0.0540434), wk = 0.0034843 k( 250) = ( 0.5000000 0.2886751 0.0360289), wk = 0.0034843 k( 251) = ( 0.5000000 0.2886751 0.0180145), wk = 0.0034843 k( 252) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0034843 k( 253) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0034843 k( 254) = ( 0.3333333 0.5773503 0.0180145), wk = 0.0034843 k( 255) = ( 0.3333333 0.5773503 0.0360289), wk = 0.0034843 k( 256) = ( 0.3333333 0.5773503 0.0540434), wk = 0.0034843 k( 257) = ( 0.3333333 0.5773503 0.0720579), wk = 0.0034843 k( 258) = ( 0.3333333 0.5773503 0.0900723), wk = 0.0034843 k( 259) = ( 0.3333333 0.5773503 0.1080868), wk = 0.0034843 k( 260) = ( 0.3333333 0.5773503 0.1261013), wk = 0.0034843 k( 261) = ( 0.3333333 0.5773503 0.1441158), wk = 0.0034843 k( 262) = ( 0.3333333 0.5773503 0.1621302), wk = 0.0034843 k( 263) = ( 0.3333333 0.5773503 0.1801447), wk = 0.0034843 k( 264) = ( 0.3333333 0.5773503 0.1981592), wk = 0.0034843 k( 265) = ( 0.3333333 0.5773503 0.2161736), wk = 0.0034843 k( 266) = ( 0.3333333 0.5773503 0.2341881), wk = 0.0034843 k( 267) = ( 0.3333333 0.5773503 0.2522026), wk = 0.0034843 k( 268) = ( 0.3333333 0.5773503 0.2702170), wk = 0.0034843 k( 269) = ( 0.3333333 0.5773503 0.2882315), wk = 0.0034843 k( 270) = ( 0.3333333 0.5773503 0.3062460), wk = 0.0034843 k( 271) = ( 0.3333333 0.5773503 0.3242604), wk = 0.0034843 k( 272) = ( 0.3333333 0.5773503 0.3422749), wk = 0.0034843 k( 273) = ( 0.3333333 0.5773503 0.3602894), wk = 0.0034843 k( 274) = ( 0.3333333 0.5773503 0.3783039), wk = 0.0034843 k( 275) = ( 0.3333333 0.5773503 0.3963183), wk = 0.0034843 k( 276) = ( 0.3333333 0.5773503 0.4143328), wk = 0.0034843 k( 277) = ( 0.3333333 0.5773503 0.4323473), wk = 0.0034843 k( 278) = ( 0.3333333 0.5773503 0.4503617), wk = 0.0034843 k( 279) = ( 0.3333333 0.5773503 0.4683762), wk = 0.0034843 k( 280) = ( 0.3333333 0.5773503 0.4863907), wk = 0.0034843 k( 281) = ( 0.3333333 0.5773503 0.5044052), wk = 0.0034843 k( 282) = ( 0.3333333 0.5773503 0.5224196), wk = 0.0034843 k( 283) = ( 0.3333333 0.5773503 0.5404341), wk = 0.0034843 k( 284) = ( 0.3333333 0.5773503 0.5584486), wk = 0.0034843 k( 285) = ( 0.3333333 0.5773503 0.5764630), wk = 0.0034843 k( 286) = ( 0.3333333 0.5773503 0.5944775), wk = 0.0034843 k( 287) = ( 0.3333333 0.5773503 0.6124920), wk = 0.0034843 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034843 k( 2) = ( 0.0156250 0.0000000 -0.0000000), wk = 0.0034843 k( 3) = ( 0.0312500 0.0000000 -0.0000000), wk = 0.0034843 k( 4) = ( 0.0468750 0.0000000 0.0000000), wk = 0.0034843 k( 5) = ( 0.0625000 0.0000000 -0.0000000), wk = 0.0034843 k( 6) = ( 0.0781250 -0.0000000 -0.0000000), wk = 0.0034843 k( 7) = ( 0.0937500 0.0000000 0.0000000), wk = 0.0034843 k( 8) = ( 0.1093750 0.0000000 -0.0000000), wk = 0.0034843 k( 9) = ( 0.1250000 0.0000000 -0.0000000), wk = 0.0034843 k( 10) = ( 0.1406250 0.0000000 -0.0000000), wk = 0.0034843 k( 11) = ( 0.1562500 -0.0000000 -0.0000000), wk = 0.0034843 k( 12) = ( 0.1718750 0.0000000 0.0000000), wk = 0.0034843 k( 13) = ( 0.1875000 0.0000000 0.0000000), wk = 0.0034843 k( 14) = ( 0.2031250 0.0000000 -0.0000000), wk = 0.0034843 k( 15) = ( 0.2187500 0.0000000 -0.0000000), wk = 0.0034843 k( 16) = ( 0.2343750 -0.0000000 0.0000000), wk = 0.0034843 k( 17) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0034843 k( 18) = ( 0.2656250 0.0000000 0.0000000), wk = 0.0034843 k( 19) = ( 0.2812500 0.0000000 -0.0000000), wk = 0.0034843 k( 20) = ( 0.2968750 0.0000000 0.0000000), wk = 0.0034843 k( 21) = ( 0.3125000 -0.0000000 -0.0000000), wk = 0.0034843 k( 22) = ( 0.3281250 -0.0000000 -0.0000000), wk = 0.0034843 k( 23) = ( 0.3437500 0.0000000 0.0000000), wk = 0.0034843 k( 24) = ( 0.3593750 0.0000000 0.0000000), wk = 0.0034843 k( 25) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0034843 k( 26) = ( 0.3906250 0.0000000 0.0000000), wk = 0.0034843 k( 27) = ( 0.4062500 0.0000000 -0.0000000), wk = 0.0034843 k( 28) = ( 0.4218750 0.0000000 0.0000000), wk = 0.0034843 k( 29) = ( 0.4375000 0.0000000 -0.0000000), wk = 0.0034843 k( 30) = ( 0.4531250 0.0000000 -0.0000000), wk = 0.0034843 k( 31) = ( 0.4687500 -0.0000000 0.0000000), wk = 0.0034843 k( 32) = ( 0.4843750 0.0000000 0.0000000), wk = 0.0034843 k( 33) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0034843 k( 34) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0034843 k( 35) = ( 0.4912281 0.0175439 0.0000000), wk = 0.0034843 k( 36) = ( 0.4824561 0.0350877 0.0000000), wk = 0.0034843 k( 37) = ( 0.4736842 0.0526316 0.0000000), wk = 0.0034843 k( 38) = ( 0.4649123 0.0701754 -0.0000000), wk = 0.0034843 k( 39) = ( 0.4561404 0.0877193 -0.0000000), wk = 0.0034843 k( 40) = ( 0.4473684 0.1052632 0.0000000), wk = 0.0034843 k( 41) = ( 0.4385965 0.1228070 0.0000000), wk = 0.0034843 k( 42) = ( 0.4298246 0.1403509 -0.0000000), wk = 0.0034843 k( 43) = ( 0.4210526 0.1578947 0.0000000), wk = 0.0034843 k( 44) = ( 0.4122807 0.1754386 0.0000000), wk = 0.0034843 k( 45) = ( 0.4035088 0.1929825 0.0000000), wk = 0.0034843 k( 46) = ( 0.3947368 0.2105263 0.0000000), wk = 0.0034843 k( 47) = ( 0.3859649 0.2280702 0.0000000), wk = 0.0034843 k( 48) = ( 0.3771930 0.2456140 -0.0000000), wk = 0.0034843 k( 49) = ( 0.3684211 0.2631579 -0.0000000), wk = 0.0034843 k( 50) = ( 0.3596491 0.2807018 0.0000000), wk = 0.0034843 k( 51) = ( 0.3508772 0.2982456 -0.0000000), wk = 0.0034843 k( 52) = ( 0.3421053 0.3157895 0.0000000), wk = 0.0034843 k( 53) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0034843 k( 54) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0034843 k( 55) = ( 0.3243243 0.3243243 0.0000000), wk = 0.0034843 k( 56) = ( 0.3153153 0.3153153 -0.0000000), wk = 0.0034843 k( 57) = ( 0.3063063 0.3063063 0.0000000), wk = 0.0034843 k( 58) = ( 0.2972973 0.2972973 0.0000000), wk = 0.0034843 k( 59) = ( 0.2882883 0.2882883 0.0000000), wk = 0.0034843 k( 60) = ( 0.2792793 0.2792793 -0.0000000), wk = 0.0034843 k( 61) = ( 0.2702703 0.2702703 0.0000000), wk = 0.0034843 k( 62) = ( 0.2612613 0.2612613 -0.0000000), wk = 0.0034843 k( 63) = ( 0.2522523 0.2522523 0.0000000), wk = 0.0034843 k( 64) = ( 0.2432432 0.2432432 0.0000000), wk = 0.0034843 k( 65) = ( 0.2342342 0.2342342 -0.0000000), wk = 0.0034843 k( 66) = ( 0.2252252 0.2252252 -0.0000000), wk = 0.0034843 k( 67) = ( 0.2162162 0.2162162 -0.0000000), wk = 0.0034843 k( 68) = ( 0.2072072 0.2072072 0.0000000), wk = 0.0034843 k( 69) = ( 0.1981982 0.1981982 0.0000000), wk = 0.0034843 k( 70) = ( 0.1891892 0.1891892 -0.0000000), wk = 0.0034843 k( 71) = ( 0.1801802 0.1801802 -0.0000000), wk = 0.0034843 k( 72) = ( 0.1711712 0.1711712 0.0000000), wk = 0.0034843 k( 73) = ( 0.1621622 0.1621622 0.0000000), wk = 0.0034843 k( 74) = ( 0.1531531 0.1531531 0.0000000), wk = 0.0034843 k( 75) = ( 0.1441441 0.1441441 -0.0000000), wk = 0.0034843 k( 76) = ( 0.1351351 0.1351351 -0.0000000), wk = 0.0034843 k( 77) = ( 0.1261261 0.1261261 0.0000000), wk = 0.0034843 k( 78) = ( 0.1171171 0.1171171 0.0000000), wk = 0.0034843 k( 79) = ( 0.1081081 0.1081081 -0.0000000), wk = 0.0034843 k( 80) = ( 0.0990991 0.0990991 0.0000000), wk = 0.0034843 k( 81) = ( 0.0900901 0.0900901 -0.0000000), wk = 0.0034843 k( 82) = ( 0.0810811 0.0810811 0.0000000), wk = 0.0034843 k( 83) = ( 0.0720721 0.0720721 -0.0000000), wk = 0.0034843 k( 84) = ( 0.0630631 0.0630631 -0.0000000), wk = 0.0034843 k( 85) = ( 0.0540540 0.0540540 0.0000000), wk = 0.0034843 k( 86) = ( 0.0450451 0.0450450 0.0000000), wk = 0.0034843 k( 87) = ( 0.0360360 0.0360360 -0.0000000), wk = 0.0034843 k( 88) = ( 0.0270270 0.0270270 0.0000000), wk = 0.0034843 k( 89) = ( 0.0180180 0.0180180 -0.0000000), wk = 0.0034843 k( 90) = ( 0.0090090 0.0090090 -0.0000000), wk = 0.0034843 k( 91) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034843 k( 92) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034843 k( 93) = ( 0.0000000 0.0000000 0.0147059), wk = 0.0034843 k( 94) = ( 0.0000000 0.0000000 0.0294118), wk = 0.0034843 k( 95) = ( 0.0000000 0.0000000 0.0441177), wk = 0.0034843 k( 96) = ( 0.0000000 0.0000000 0.0588235), wk = 0.0034843 k( 97) = ( 0.0000000 0.0000000 0.0735294), wk = 0.0034843 k( 98) = ( 0.0000000 0.0000000 0.0882353), wk = 0.0034843 k( 99) = ( 0.0000000 0.0000000 0.1029412), wk = 0.0034843 k( 100) = ( 0.0000000 0.0000000 0.1176471), wk = 0.0034843 k( 101) = ( 0.0000000 0.0000000 0.1323529), wk = 0.0034843 k( 102) = ( 0.0000000 0.0000000 0.1470588), wk = 0.0034843 k( 103) = ( 0.0000000 0.0000000 0.1617647), wk = 0.0034843 k( 104) = ( 0.0000000 0.0000000 0.1764706), wk = 0.0034843 k( 105) = ( 0.0000000 0.0000000 0.1911765), wk = 0.0034843 k( 106) = ( 0.0000000 0.0000000 0.2058823), wk = 0.0034843 k( 107) = ( 0.0000000 0.0000000 0.2205882), wk = 0.0034843 k( 108) = ( 0.0000000 0.0000000 0.2352941), wk = 0.0034843 k( 109) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0034843 k( 110) = ( 0.0000000 0.0000000 0.2647059), wk = 0.0034843 k( 111) = ( 0.0000000 0.0000000 0.2794118), wk = 0.0034843 k( 112) = ( 0.0000000 0.0000000 0.2941177), wk = 0.0034843 k( 113) = ( 0.0000000 0.0000000 0.3088235), wk = 0.0034843 k( 114) = ( 0.0000000 0.0000000 0.3235294), wk = 0.0034843 k( 115) = ( 0.0000000 0.0000000 0.3382353), wk = 0.0034843 k( 116) = ( 0.0000000 0.0000000 0.3529412), wk = 0.0034843 k( 117) = ( 0.0000000 0.0000000 0.3676471), wk = 0.0034843 k( 118) = ( 0.0000000 0.0000000 0.3823529), wk = 0.0034843 k( 119) = ( 0.0000000 0.0000000 0.3970588), wk = 0.0034843 k( 120) = ( 0.0000000 0.0000000 0.4117647), wk = 0.0034843 k( 121) = ( 0.0000000 0.0000000 0.4264706), wk = 0.0034843 k( 122) = ( 0.0000000 0.0000000 0.4411765), wk = 0.0034843 k( 123) = ( 0.0000000 0.0000000 0.4558823), wk = 0.0034843 k( 124) = ( 0.0000000 0.0000000 0.4705882), wk = 0.0034843 k( 125) = ( 0.0000000 0.0000000 0.4852941), wk = 0.0034843 k( 126) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034843 k( 127) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034843 k( 128) = ( 0.0156250 0.0000000 0.5000000), wk = 0.0034843 k( 129) = ( 0.0312500 0.0000000 0.5000000), wk = 0.0034843 k( 130) = ( 0.0468750 0.0000000 0.5000000), wk = 0.0034843 k( 131) = ( 0.0625000 0.0000000 0.5000000), wk = 0.0034843 k( 132) = ( 0.0781250 -0.0000000 0.5000000), wk = 0.0034843 k( 133) = ( 0.0937500 0.0000000 0.5000000), wk = 0.0034843 k( 134) = ( 0.1093750 0.0000000 0.5000000), wk = 0.0034843 k( 135) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0034843 k( 136) = ( 0.1406250 0.0000000 0.5000000), wk = 0.0034843 k( 137) = ( 0.1562500 -0.0000000 0.5000000), wk = 0.0034843 k( 138) = ( 0.1718750 0.0000000 0.5000000), wk = 0.0034843 k( 139) = ( 0.1875000 0.0000000 0.5000000), wk = 0.0034843 k( 140) = ( 0.2031250 0.0000000 0.5000000), wk = 0.0034843 k( 141) = ( 0.2187500 0.0000000 0.5000000), wk = 0.0034843 k( 142) = ( 0.2343750 -0.0000000 0.5000000), wk = 0.0034843 k( 143) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0034843 k( 144) = ( 0.2656250 0.0000000 0.5000000), wk = 0.0034843 k( 145) = ( 0.2812500 0.0000000 0.5000000), wk = 0.0034843 k( 146) = ( 0.2968750 0.0000000 0.5000000), wk = 0.0034843 k( 147) = ( 0.3125000 -0.0000000 0.5000000), wk = 0.0034843 k( 148) = ( 0.3281250 -0.0000000 0.5000000), wk = 0.0034843 k( 149) = ( 0.3437500 0.0000000 0.5000000), wk = 0.0034843 k( 150) = ( 0.3593750 0.0000000 0.5000000), wk = 0.0034843 k( 151) = ( 0.3750000 0.0000000 0.5000000), wk = 0.0034843 k( 152) = ( 0.3906250 0.0000000 0.5000000), wk = 0.0034843 k( 153) = ( 0.4062500 0.0000000 0.5000000), wk = 0.0034843 k( 154) = ( 0.4218750 0.0000000 0.5000000), wk = 0.0034843 k( 155) = ( 0.4375000 0.0000000 0.5000000), wk = 0.0034843 k( 156) = ( 0.4531250 0.0000000 0.5000000), wk = 0.0034843 k( 157) = ( 0.4687500 -0.0000000 0.5000000), wk = 0.0034843 k( 158) = ( 0.4843750 0.0000000 0.5000000), wk = 0.0034843 k( 159) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0034843 k( 160) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0034843 k( 161) = ( 0.4912281 0.0175439 0.5000000), wk = 0.0034843 k( 162) = ( 0.4824561 0.0350877 0.5000000), wk = 0.0034843 k( 163) = ( 0.4736842 0.0526316 0.5000000), wk = 0.0034843 k( 164) = ( 0.4649123 0.0701754 0.5000000), wk = 0.0034843 k( 165) = ( 0.4561404 0.0877193 0.5000000), wk = 0.0034843 k( 166) = ( 0.4473684 0.1052632 0.5000000), wk = 0.0034843 k( 167) = ( 0.4385965 0.1228070 0.5000000), wk = 0.0034843 k( 168) = ( 0.4298246 0.1403509 0.5000000), wk = 0.0034843 k( 169) = ( 0.4210526 0.1578947 0.5000000), wk = 0.0034843 k( 170) = ( 0.4122807 0.1754386 0.5000000), wk = 0.0034843 k( 171) = ( 0.4035088 0.1929825 0.5000000), wk = 0.0034843 k( 172) = ( 0.3947368 0.2105263 0.5000000), wk = 0.0034843 k( 173) = ( 0.3859649 0.2280702 0.5000000), wk = 0.0034843 k( 174) = ( 0.3771930 0.2456140 0.5000000), wk = 0.0034843 k( 175) = ( 0.3684211 0.2631579 0.5000000), wk = 0.0034843 k( 176) = ( 0.3596491 0.2807018 0.5000000), wk = 0.0034843 k( 177) = ( 0.3508772 0.2982456 0.5000000), wk = 0.0034843 k( 178) = ( 0.3421053 0.3157895 0.5000000), wk = 0.0034843 k( 179) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0034843 k( 180) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0034843 k( 181) = ( 0.3243243 0.3243243 0.5000000), wk = 0.0034843 k( 182) = ( 0.3153153 0.3153153 0.5000000), wk = 0.0034843 k( 183) = ( 0.3063063 0.3063063 0.5000000), wk = 0.0034843 k( 184) = ( 0.2972973 0.2972973 0.5000000), wk = 0.0034843 k( 185) = ( 0.2882883 0.2882883 0.5000000), wk = 0.0034843 k( 186) = ( 0.2792793 0.2792793 0.5000000), wk = 0.0034843 k( 187) = ( 0.2702703 0.2702703 0.5000000), wk = 0.0034843 k( 188) = ( 0.2612613 0.2612613 0.5000000), wk = 0.0034843 k( 189) = ( 0.2522523 0.2522523 0.5000000), wk = 0.0034843 k( 190) = ( 0.2432432 0.2432432 0.5000000), wk = 0.0034843 k( 191) = ( 0.2342342 0.2342342 0.5000000), wk = 0.0034843 k( 192) = ( 0.2252252 0.2252252 0.5000000), wk = 0.0034843 k( 193) = ( 0.2162162 0.2162162 0.5000000), wk = 0.0034843 k( 194) = ( 0.2072072 0.2072072 0.5000000), wk = 0.0034843 k( 195) = ( 0.1981982 0.1981982 0.5000000), wk = 0.0034843 k( 196) = ( 0.1891892 0.1891892 0.5000000), wk = 0.0034843 k( 197) = ( 0.1801802 0.1801802 0.5000000), wk = 0.0034843 k( 198) = ( 0.1711712 0.1711712 0.5000000), wk = 0.0034843 k( 199) = ( 0.1621622 0.1621622 0.5000000), wk = 0.0034843 k( 200) = ( 0.1531531 0.1531531 0.5000000), wk = 0.0034843 k( 201) = ( 0.1441441 0.1441441 0.5000000), wk = 0.0034843 k( 202) = ( 0.1351351 0.1351351 0.5000000), wk = 0.0034843 k( 203) = ( 0.1261261 0.1261261 0.5000000), wk = 0.0034843 k( 204) = ( 0.1171171 0.1171171 0.5000000), wk = 0.0034843 k( 205) = ( 0.1081081 0.1081081 0.5000000), wk = 0.0034843 k( 206) = ( 0.0990991 0.0990991 0.5000000), wk = 0.0034843 k( 207) = ( 0.0900901 0.0900901 0.5000000), wk = 0.0034843 k( 208) = ( 0.0810811 0.0810811 0.5000000), wk = 0.0034843 k( 209) = ( 0.0720721 0.0720721 0.5000000), wk = 0.0034843 k( 210) = ( 0.0630631 0.0630631 0.5000000), wk = 0.0034843 k( 211) = ( 0.0540540 0.0540540 0.5000000), wk = 0.0034843 k( 212) = ( 0.0450451 0.0450450 0.5000000), wk = 0.0034843 k( 213) = ( 0.0360360 0.0360360 0.5000000), wk = 0.0034843 k( 214) = ( 0.0270270 0.0270270 0.5000000), wk = 0.0034843 k( 215) = ( 0.0180180 0.0180180 0.5000000), wk = 0.0034843 k( 216) = ( 0.0090090 0.0090090 0.5000000), wk = 0.0034843 k( 217) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034843 k( 218) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0034843 k( 219) = ( 0.5000000 0.0000000 0.4852941), wk = 0.0034843 k( 220) = ( 0.5000000 0.0000000 0.4705882), wk = 0.0034843 k( 221) = ( 0.5000000 0.0000000 0.4558823), wk = 0.0034843 k( 222) = ( 0.5000000 0.0000000 0.4411765), wk = 0.0034843 k( 223) = ( 0.5000000 0.0000000 0.4264706), wk = 0.0034843 k( 224) = ( 0.5000000 0.0000000 0.4117647), wk = 0.0034843 k( 225) = ( 0.5000000 0.0000000 0.3970588), wk = 0.0034843 k( 226) = ( 0.5000000 0.0000000 0.3823529), wk = 0.0034843 k( 227) = ( 0.5000000 0.0000000 0.3676471), wk = 0.0034843 k( 228) = ( 0.5000000 0.0000000 0.3529412), wk = 0.0034843 k( 229) = ( 0.5000000 0.0000000 0.3382353), wk = 0.0034843 k( 230) = ( 0.5000000 0.0000000 0.3235294), wk = 0.0034843 k( 231) = ( 0.5000000 0.0000000 0.3088235), wk = 0.0034843 k( 232) = ( 0.5000000 0.0000000 0.2941177), wk = 0.0034843 k( 233) = ( 0.5000000 0.0000000 0.2794118), wk = 0.0034843 k( 234) = ( 0.5000000 0.0000000 0.2647059), wk = 0.0034843 k( 235) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0034843 k( 236) = ( 0.5000000 0.0000000 0.2352941), wk = 0.0034843 k( 237) = ( 0.5000000 0.0000000 0.2205882), wk = 0.0034843 k( 238) = ( 0.5000000 0.0000000 0.2058823), wk = 0.0034843 k( 239) = ( 0.5000000 0.0000000 0.1911765), wk = 0.0034843 k( 240) = ( 0.5000000 0.0000000 0.1764706), wk = 0.0034843 k( 241) = ( 0.5000000 0.0000000 0.1617647), wk = 0.0034843 k( 242) = ( 0.5000000 0.0000000 0.1470588), wk = 0.0034843 k( 243) = ( 0.5000000 0.0000000 0.1323529), wk = 0.0034843 k( 244) = ( 0.5000000 0.0000000 0.1176471), wk = 0.0034843 k( 245) = ( 0.5000000 0.0000000 0.1029412), wk = 0.0034843 k( 246) = ( 0.5000000 0.0000000 0.0882353), wk = 0.0034843 k( 247) = ( 0.5000000 0.0000000 0.0735294), wk = 0.0034843 k( 248) = ( 0.5000000 0.0000000 0.0588235), wk = 0.0034843 k( 249) = ( 0.5000000 0.0000000 0.0441177), wk = 0.0034843 k( 250) = ( 0.5000000 0.0000000 0.0294118), wk = 0.0034843 k( 251) = ( 0.5000000 0.0000000 0.0147059), wk = 0.0034843 k( 252) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0034843 k( 253) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0034843 k( 254) = ( 0.3333333 0.3333333 0.0147059), wk = 0.0034843 k( 255) = ( 0.3333333 0.3333333 0.0294118), wk = 0.0034843 k( 256) = ( 0.3333333 0.3333333 0.0441177), wk = 0.0034843 k( 257) = ( 0.3333333 0.3333333 0.0588235), wk = 0.0034843 k( 258) = ( 0.3333333 0.3333333 0.0735294), wk = 0.0034843 k( 259) = ( 0.3333333 0.3333333 0.0882353), wk = 0.0034843 k( 260) = ( 0.3333333 0.3333333 0.1029412), wk = 0.0034843 k( 261) = ( 0.3333333 0.3333333 0.1176471), wk = 0.0034843 k( 262) = ( 0.3333333 0.3333333 0.1323529), wk = 0.0034843 k( 263) = ( 0.3333333 0.3333333 0.1470588), wk = 0.0034843 k( 264) = ( 0.3333333 0.3333333 0.1617647), wk = 0.0034843 k( 265) = ( 0.3333333 0.3333333 0.1764706), wk = 0.0034843 k( 266) = ( 0.3333333 0.3333333 0.1911765), wk = 0.0034843 k( 267) = ( 0.3333333 0.3333333 0.2058824), wk = 0.0034843 k( 268) = ( 0.3333333 0.3333333 0.2205882), wk = 0.0034843 k( 269) = ( 0.3333333 0.3333333 0.2352941), wk = 0.0034843 k( 270) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0034843 k( 271) = ( 0.3333333 0.3333333 0.2647059), wk = 0.0034843 k( 272) = ( 0.3333333 0.3333333 0.2794118), wk = 0.0034843 k( 273) = ( 0.3333333 0.3333333 0.2941177), wk = 0.0034843 k( 274) = ( 0.3333333 0.3333333 0.3088235), wk = 0.0034843 k( 275) = ( 0.3333333 0.3333333 0.3235294), wk = 0.0034843 k( 276) = ( 0.3333333 0.3333333 0.3382353), wk = 0.0034843 k( 277) = ( 0.3333333 0.3333333 0.3529412), wk = 0.0034843 k( 278) = ( 0.3333333 0.3333333 0.3676471), wk = 0.0034843 k( 279) = ( 0.3333333 0.3333333 0.3823529), wk = 0.0034843 k( 280) = ( 0.3333333 0.3333333 0.3970588), wk = 0.0034843 k( 281) = ( 0.3333333 0.3333333 0.4117647), wk = 0.0034843 k( 282) = ( 0.3333333 0.3333333 0.4264706), wk = 0.0034843 k( 283) = ( 0.3333333 0.3333333 0.4411765), wk = 0.0034843 k( 284) = ( 0.3333333 0.3333333 0.4558823), wk = 0.0034843 k( 285) = ( 0.3333333 0.3333333 0.4705882), wk = 0.0034843 k( 286) = ( 0.3333333 0.3333333 0.4852941), wk = 0.0034843 k( 287) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0034843 Dense grid: 191381 G-vectors FFT dimensions: ( 81, 81, 72) Smooth grid: 54565 G-vectors FFT dimensions: ( 54, 54, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.55 Mb ( 382, 94) NL pseudopotentials 0.54 Mb ( 191, 186) Each V/rho on FFT grid 0.20 Mb ( 13122) Each G-vector array 0.04 Mb ( 5318) G-vector shells 0.02 Mb ( 2301) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.19 Mb ( 382, 376) Each subspace H/S matrix 0.13 Mb ( 94, 94) Each matrix 0.53 Mb ( 186, 2, 94) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./K2PdF6.save/charge-density.dat Starting wfc are 100 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 5.7 secs Computing kpt #: 3 total cpu time spent up to now is 7.3 secs Computing kpt #: 4 total cpu time spent up to now is 8.8 secs Computing kpt #: 5 total cpu time spent up to now is 10.2 secs Computing kpt #: 6 total cpu time spent up to now is 11.8 secs Computing kpt #: 7 total cpu time spent up to now is 13.2 secs Computing kpt #: 8 total cpu time spent up to now is 14.5 secs Computing kpt #: 9 total cpu time spent up to now is 15.9 secs Computing kpt #: 10 total cpu time spent up to now is 17.3 secs Computing kpt #: 11 total cpu time spent up to now is 18.7 secs Computing kpt #: 12 total cpu time spent up to now is 20.0 secs Computing kpt #: 13 total cpu time spent up to now is 21.4 secs Computing kpt #: 14 total cpu time spent up to now is 22.7 secs Computing kpt #: 15 total cpu time spent up to now is 24.1 secs Computing kpt #: 16 total cpu time spent up to now is 25.4 secs Computing kpt #: 17 total cpu time spent up to now is 26.8 secs Computing kpt #: 18 total cpu time spent up to now is 28.1 secs Computing kpt #: 19 total cpu time spent up to now is 29.5 secs Computing kpt #: 20 total cpu time spent up to now is 30.8 secs Computing kpt #: 21 total cpu time spent up to now is 32.2 secs Computing kpt #: 22 total cpu time spent up to now is 33.7 secs Computing kpt #: 23 total cpu time spent up to now is 35.3 secs Computing kpt #: 24 total cpu time spent up to now is 36.6 secs Computing kpt #: 25 total cpu time spent up to now is 37.9 secs Computing kpt #: 26 total cpu time spent up to now is 39.3 secs Computing kpt #: 27 total cpu time spent up to now is 40.7 secs Computing kpt #: 28 total cpu time spent up to now is 42.0 secs Computing kpt #: 29 total cpu time spent up to now is 43.6 secs Computing kpt #: 30 total cpu time spent up to now is 44.9 secs Computing kpt #: 31 total cpu time spent up to now is 46.5 secs Computing kpt #: 32 total cpu time spent up to now is 48.0 secs Computing kpt #: 33 total cpu time spent up to now is 49.6 secs Computing kpt #: 34 total cpu time spent up to now is 51.1 secs Computing kpt #: 35 total cpu time spent up to now is 52.7 secs Computing kpt #: 36 total cpu time spent up to now is 54.2 secs Computing kpt #: 37 total cpu time spent up to now is 55.8 secs Computing kpt #: 38 total cpu time spent up to now is 57.3 secs Computing kpt #: 39 total cpu time spent up to now is 58.9 secs Computing kpt #: 40 total cpu time spent up to now is 60.4 secs Computing kpt #: 41 total cpu time spent up to now is 62.0 secs Computing kpt #: 42 total cpu time spent up to now is 63.5 secs Computing kpt #: 43 total cpu time spent up to now is 65.1 secs Computing kpt #: 44 total cpu time spent up to now is 66.6 secs Computing kpt #: 45 total cpu time spent up to now is 68.2 secs Computing kpt #: 46 total cpu time spent up to now is 69.7 secs Computing kpt #: 47 total cpu time spent up to now is 71.3 secs Computing kpt #: 48 total cpu time spent up to now is 72.6 secs Computing kpt #: 49 total cpu time spent up to now is 74.2 secs Computing kpt #: 50 total cpu time spent up to now is 75.7 secs Computing kpt #: 51 total cpu time spent up to now is 77.3 secs Computing kpt #: 52 total cpu time spent up to now is 78.8 secs Computing kpt #: 53 total cpu time spent up to now is 80.4 secs Computing kpt #: 54 total cpu time spent up to now is 81.9 secs Computing kpt #: 55 total cpu time spent up to now is 83.5 secs Computing kpt #: 56 total cpu time spent up to now is 85.0 secs Computing kpt #: 57 total cpu time spent up to now is 86.4 secs Computing kpt #: 58 total cpu time spent up to now is 87.9 secs Computing kpt #: 59 total cpu time spent up to now is 89.5 secs Computing kpt #: 60 total cpu time spent up to now is 91.0 secs Computing kpt #: 61 total cpu time spent up to now is 92.6 secs Computing kpt #: 62 total cpu time spent up to now is 93.9 secs Computing kpt #: 63 total cpu time spent up to now is 95.5 secs Computing kpt #: 64 total cpu time spent up to now is 96.8 secs Computing kpt #: 65 total cpu time spent up to now is 98.2 secs Computing kpt #: 66 total cpu time spent up to now is 99.6 secs Computing kpt #: 67 total cpu time spent up to now is 101.0 secs Computing kpt #: 68 total cpu time spent up to now is 102.3 secs Computing kpt #: 69 total cpu time spent up to now is 103.7 secs Computing kpt #: 70 total cpu time spent up to now is 105.1 secs Computing kpt #: 71 total cpu time spent up to now is 106.5 secs Computing kpt #: 72 total cpu time spent up to now is 107.8 secs Computing kpt #: 73 total cpu time spent up to now is 109.2 secs Computing kpt #: 74 total cpu time spent up to now is 110.6 secs Computing kpt #: 75 total cpu time spent up to now is 112.0 secs Computing kpt #: 76 total cpu time spent up to now is 113.5 secs Computing kpt #: 77 total cpu time spent up to now is 115.1 secs Computing kpt #: 78 total cpu time spent up to now is 116.5 secs Computing kpt #: 79 total cpu time spent up to now is 117.8 secs Computing kpt #: 80 total cpu time spent up to now is 119.4 secs Computing kpt #: 81 total cpu time spent up to now is 120.8 secs Computing kpt #: 82 total cpu time spent up to now is 122.3 secs Computing kpt #: 83 total cpu time spent up to now is 123.9 secs Computing kpt #: 84 total cpu time spent up to now is 125.4 secs Computing kpt #: 85 total cpu time spent up to now is 127.0 secs Computing kpt #: 86 total cpu time spent up to now is 128.6 secs Computing kpt #: 87 total cpu time spent up to now is 130.1 secs Computing kpt #: 88 total cpu time spent up to now is 131.5 secs Computing kpt #: 89 total cpu time spent up to now is 133.1 secs Computing kpt #: 90 total cpu time spent up to now is 134.4 secs Computing kpt #: 91 total cpu time spent up to now is 136.0 secs Computing kpt #: 92 total cpu time spent up to now is 137.4 secs Computing kpt #: 93 total cpu time spent up to now is 138.9 secs Computing kpt #: 94 total cpu time spent up to now is 140.3 secs Computing kpt #: 95 total cpu time spent up to now is 141.6 secs Computing kpt #: 96 total cpu time spent up to now is 142.9 secs Computing kpt #: 97 total cpu time spent up to now is 144.3 secs Computing kpt #: 98 total cpu time spent up to now is 145.6 secs Computing kpt #: 99 total cpu time spent up to now is 147.0 secs Computing kpt #: 100 total cpu time spent up to now is 148.3 secs Computing kpt #: 101 total cpu time spent up to now is 149.6 secs Computing kpt #: 102 total cpu time spent up to now is 150.9 secs Computing kpt #: 103 total cpu time spent up to now is 152.2 secs Computing kpt #: 104 total cpu time spent up to now is 153.6 secs Computing kpt #: 105 total cpu time spent up to now is 154.9 secs Computing kpt #: 106 total cpu time spent up to now is 156.2 secs Computing kpt #: 107 total cpu time spent up to now is 157.6 secs Computing kpt #: 108 total cpu time spent up to now is 158.9 secs Computing kpt #: 109 total cpu time spent up to now is 160.2 secs Computing kpt #: 110 total cpu time spent up to now is 161.5 secs Computing kpt #: 111 total cpu time spent up to now is 162.9 secs Computing kpt #: 112 total cpu time spent up to now is 164.2 secs Computing kpt #: 113 total cpu time spent up to now is 165.5 secs Computing kpt #: 114 total cpu time spent up to now is 166.8 secs Computing kpt #: 115 total cpu time spent up to now is 168.2 secs Computing kpt #: 116 total cpu time spent up to now is 169.5 secs Computing kpt #: 117 total cpu time spent up to now is 170.8 secs Computing kpt #: 118 total cpu time spent up to now is 172.0 secs Computing kpt #: 119 total cpu time spent up to now is 173.3 secs Computing kpt #: 120 total cpu time spent up to now is 174.6 secs Computing kpt #: 121 total cpu time spent up to now is 175.9 secs Computing kpt #: 122 total cpu time spent up to now is 177.2 secs Computing kpt #: 123 total cpu time spent up to now is 178.5 secs Computing kpt #: 124 total cpu time spent up to now is 179.7 secs Computing kpt #: 125 total cpu time spent up to now is 181.0 secs Computing kpt #: 126 total cpu time spent up to now is 182.3 secs Computing kpt #: 127 total cpu time spent up to now is 183.6 secs Computing kpt #: 128 total cpu time spent up to now is 184.9 secs Computing kpt #: 129 total cpu time spent up to now is 186.2 secs Computing kpt #: 130 total cpu time spent up to now is 187.5 secs Computing kpt #: 131 total cpu time spent up to now is 188.8 secs Computing kpt #: 132 total cpu time spent up to now is 190.0 secs Computing kpt #: 133 total cpu time spent up to now is 191.2 secs Computing kpt #: 134 total cpu time spent up to now is 192.5 secs Computing kpt #: 135 total cpu time spent up to now is 193.7 secs Computing kpt #: 136 total cpu time spent up to now is 194.9 secs Computing kpt #: 137 total cpu time spent up to now is 196.1 secs Computing kpt #: 138 total cpu time spent up to now is 197.4 secs Computing kpt #: 139 total cpu time spent up to now is 198.6 secs Computing kpt #: 140 total cpu time spent up to now is 199.8 secs Computing kpt #: 141 total cpu time spent up to now is 201.1 secs Computing kpt #: 142 total cpu time spent up to now is 202.3 secs Computing kpt #: 143 total cpu time spent up to now is 203.5 secs Computing kpt #: 144 total cpu time spent up to now is 204.8 secs Computing kpt #: 145 total cpu time spent up to now is 206.1 secs Computing kpt #: 146 total cpu time spent up to now is 207.3 secs Computing kpt #: 147 total cpu time spent up to now is 208.6 secs Computing kpt #: 148 total cpu time spent up to now is 209.8 secs Computing kpt #: 149 total cpu time spent up to now is 211.1 secs Computing kpt #: 150 total cpu time spent up to now is 212.4 secs Computing kpt #: 151 total cpu time spent up to now is 213.7 secs Computing kpt #: 152 total cpu time spent up to now is 215.0 secs Computing kpt #: 153 total cpu time spent up to now is 216.3 secs Computing kpt #: 154 total cpu time spent up to now is 217.6 secs Computing kpt #: 155 total cpu time spent up to now is 219.0 secs Computing kpt #: 156 total cpu time spent up to now is 220.3 secs Computing kpt #: 157 total cpu time spent up to now is 221.7 secs Computing kpt #: 158 total cpu time spent up to now is 223.0 secs Computing kpt #: 159 total cpu time spent up to now is 224.4 secs Computing kpt #: 160 total cpu time spent up to now is 225.7 secs Computing kpt #: 161 total cpu time spent up to now is 227.0 secs Computing kpt #: 162 total cpu time spent up to now is 228.3 secs Computing kpt #: 163 total cpu time spent up to now is 229.6 secs Computing kpt #: 164 total cpu time spent up to now is 230.9 secs Computing kpt #: 165 total cpu time spent up to now is 232.1 secs Computing kpt #: 166 total cpu time spent up to now is 233.4 secs Computing kpt #: 167 total cpu time spent up to now is 234.7 secs Computing kpt #: 168 total cpu time spent up to now is 236.0 secs Computing kpt #: 169 total cpu time spent up to now is 237.3 secs Computing kpt #: 170 total cpu time spent up to now is 238.6 secs Computing kpt #: 171 total cpu time spent up to now is 239.8 secs Computing kpt #: 172 total cpu time spent up to now is 241.1 secs Computing kpt #: 173 total cpu time spent up to now is 242.4 secs Computing kpt #: 174 total cpu time spent up to now is 243.7 secs Computing kpt #: 175 total cpu time spent up to now is 245.0 secs Computing kpt #: 176 total cpu time spent up to now is 246.3 secs Computing kpt #: 177 total cpu time spent up to now is 247.6 secs Computing kpt #: 178 total cpu time spent up to now is 248.9 secs Computing kpt #: 179 total cpu time spent up to now is 250.2 secs Computing kpt #: 180 total cpu time spent up to now is 251.5 secs Computing kpt #: 181 total cpu time spent up to now is 252.8 secs Computing kpt #: 182 total cpu time spent up to now is 254.1 secs Computing kpt #: 183 total cpu time spent up to now is 255.4 secs Computing kpt #: 184 total cpu time spent up to now is 256.7 secs Computing kpt #: 185 total cpu time spent up to now is 258.0 secs Computing kpt #: 186 total cpu time spent up to now is 259.3 secs Computing kpt #: 187 total cpu time spent up to now is 260.6 secs Computing kpt #: 188 total cpu time spent up to now is 261.9 secs Computing kpt #: 189 total cpu time spent up to now is 263.3 secs Computing kpt #: 190 total cpu time spent up to now is 264.5 secs Computing kpt #: 191 total cpu time spent up to now is 265.8 secs Computing kpt #: 192 total cpu time spent up to now is 267.1 secs Computing kpt #: 193 total cpu time spent up to now is 268.3 secs Computing kpt #: 194 total cpu time spent up to now is 269.6 secs Computing kpt #: 195 total cpu time spent up to now is 270.9 secs Computing kpt #: 196 total cpu time spent up to now is 272.1 secs Computing kpt #: 197 total cpu time spent up to now is 273.4 secs Computing kpt #: 198 total cpu time spent up to now is 274.7 secs Computing kpt #: 199 total cpu time spent up to now is 275.9 secs Computing kpt #: 200 total cpu time spent up to now is 277.2 secs Computing kpt #: 201 total cpu time spent up to now is 278.4 secs Computing kpt #: 202 total cpu time spent up to now is 279.6 secs Computing kpt #: 203 total cpu time spent up to now is 280.9 secs Computing kpt #: 204 total cpu time spent up to now is 282.1 secs Computing kpt #: 205 total cpu time spent up to now is 283.3 secs Computing kpt #: 206 total cpu time spent up to now is 284.6 secs Computing kpt #: 207 total cpu time spent up to now is 285.8 secs Computing kpt #: 208 total cpu time spent up to now is 287.0 secs Computing kpt #: 209 total cpu time spent up to now is 288.3 secs Computing kpt #: 210 total cpu time spent up to now is 289.5 secs Computing kpt #: 211 total cpu time spent up to now is 290.7 secs Computing kpt #: 212 total cpu time spent up to now is 292.0 secs Computing kpt #: 213 total cpu time spent up to now is 293.2 secs Computing kpt #: 214 total cpu time spent up to now is 294.5 secs Computing kpt #: 215 total cpu time spent up to now is 295.7 secs Computing kpt #: 216 total cpu time spent up to now is 297.0 secs Computing kpt #: 217 total cpu time spent up to now is 298.3 secs Computing kpt #: 218 total cpu time spent up to now is 299.6 secs Computing kpt #: 219 total cpu time spent up to now is 300.9 secs Computing kpt #: 220 total cpu time spent up to now is 302.2 secs Computing kpt #: 221 total cpu time spent up to now is 303.5 secs Computing kpt #: 222 total cpu time spent up to now is 304.8 secs Computing kpt #: 223 total cpu time spent up to now is 306.1 secs Computing kpt #: 224 total cpu time spent up to now is 307.4 secs Computing kpt #: 225 total cpu time spent up to now is 308.8 secs Computing kpt #: 226 total cpu time spent up to now is 310.1 secs Computing kpt #: 227 total cpu time spent up to now is 311.4 secs Computing kpt #: 228 total cpu time spent up to now is 312.7 secs Computing kpt #: 229 total cpu time spent up to now is 313.9 secs Computing kpt #: 230 total cpu time spent up to now is 315.2 secs Computing kpt #: 231 total cpu time spent up to now is 316.5 secs Computing kpt #: 232 total cpu time spent up to now is 317.8 secs Computing kpt #: 233 total cpu time spent up to now is 319.1 secs Computing kpt #: 234 total cpu time spent up to now is 320.4 secs Computing kpt #: 235 total cpu time spent up to now is 321.7 secs Computing kpt #: 236 total cpu time spent up to now is 323.1 secs Computing kpt #: 237 total cpu time spent up to now is 324.5 secs Computing kpt #: 238 total cpu time spent up to now is 326.0 secs Computing kpt #: 239 total cpu time spent up to now is 327.4 secs Computing kpt #: 240 total cpu time spent up to now is 328.8 secs Computing kpt #: 241 total cpu time spent up to now is 330.1 secs Computing kpt #: 242 total cpu time spent up to now is 331.5 secs Computing kpt #: 243 total cpu time spent up to now is 332.9 secs Computing kpt #: 244 total cpu time spent up to now is 334.5 secs Computing kpt #: 245 total cpu time spent up to now is 335.9 secs Computing kpt #: 246 total cpu time spent up to now is 337.2 secs Computing kpt #: 247 total cpu time spent up to now is 338.6 secs Computing kpt #: 248 total cpu time spent up to now is 340.0 secs Computing kpt #: 249 total cpu time spent up to now is 341.5 secs Computing kpt #: 250 total cpu time spent up to now is 343.0 secs Computing kpt #: 251 total cpu time spent up to now is 344.6 secs Computing kpt #: 252 total cpu time spent up to now is 346.1 secs Computing kpt #: 253 total cpu time spent up to now is 347.7 secs Computing kpt #: 254 total cpu time spent up to now is 349.1 secs Computing kpt #: 255 total cpu time spent up to now is 350.4 secs Computing kpt #: 256 total cpu time spent up to now is 351.8 secs Computing kpt #: 257 total cpu time spent up to now is 353.2 secs Computing kpt #: 258 total cpu time spent up to now is 354.6 secs Computing kpt #: 259 total cpu time spent up to now is 355.9 secs Computing kpt #: 260 total cpu time spent up to now is 357.3 secs Computing kpt #: 261 total cpu time spent up to now is 358.7 secs Computing kpt #: 262 total cpu time spent up to now is 360.0 secs Computing kpt #: 263 total cpu time spent up to now is 361.4 secs Computing kpt #: 264 total cpu time spent up to now is 362.7 secs Computing kpt #: 265 total cpu time spent up to now is 364.1 secs Computing kpt #: 266 total cpu time spent up to now is 365.4 secs Computing kpt #: 267 total cpu time spent up to now is 366.8 secs Computing kpt #: 268 total cpu time spent up to now is 368.2 secs Computing kpt #: 269 total cpu time spent up to now is 369.6 secs Computing kpt #: 270 total cpu time spent up to now is 370.9 secs Computing kpt #: 271 total cpu time spent up to now is 372.3 secs Computing kpt #: 272 total cpu time spent up to now is 373.6 secs Computing kpt #: 273 total cpu time spent up to now is 374.9 secs Computing kpt #: 274 total cpu time spent up to now is 376.3 secs Computing kpt #: 275 total cpu time spent up to now is 377.6 secs Computing kpt #: 276 total cpu time spent up to now is 379.0 secs Computing kpt #: 277 total cpu time spent up to now is 380.3 secs Computing kpt #: 278 total cpu time spent up to now is 381.7 secs Computing kpt #: 279 total cpu time spent up to now is 383.0 secs Computing kpt #: 280 total cpu time spent up to now is 384.3 secs Computing kpt #: 281 total cpu time spent up to now is 385.6 secs Computing kpt #: 282 total cpu time spent up to now is 386.9 secs Computing kpt #: 283 total cpu time spent up to now is 388.2 secs Computing kpt #: 284 total cpu time spent up to now is 389.5 secs Computing kpt #: 285 total cpu time spent up to now is 390.8 secs Computing kpt #: 286 total cpu time spent up to now is 392.1 secs Computing kpt #: 287 total cpu time spent up to now is 393.4 secs ethr = 1.28E-08, avg # of iterations = 18.9 total cpu time spent up to now is 393.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6783 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3561 -23.3561 -23.3054 -23.3054 -18.1952 -18.1952 -17.6885 -17.6885 -17.6882 -17.6882 -17.5248 -17.5248 -17.4765 -17.4765 -17.4732 -17.4732 -7.1233 -7.1233 -6.9517 -6.9517 -6.8828 -6.8828 -6.8469 -6.8469 -6.6864 -6.6864 -6.6848 -6.6848 -2.3115 -2.3115 -2.2908 -2.2908 -1.5893 -1.5893 -1.1784 -1.1784 -1.1473 -1.1473 -1.0659 -1.0659 -0.0091 -0.0091 0.2779 0.2779 0.3361 0.3361 1.1640 1.1640 1.1752 1.1752 1.6196 1.6196 1.8063 1.8063 1.8467 1.8467 1.9856 1.9856 2.1855 2.1855 2.2132 2.2132 2.2470 2.2470 3.3297 3.3297 3.5732 3.5732 3.7352 3.7352 6.7409 6.7409 6.7435 6.7435 10.0539 10.0539 13.2000 13.2000 13.6192 13.6192 13.6216 13.6216 14.0006 14.0006 14.0020 14.0020 k = 0.0156 0.0090-0.0000 ( 6789 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3561 -23.3561 -23.3054 -23.3054 -18.1952 -18.1952 -17.6885 -17.6885 -17.6883 -17.6883 -17.5248 -17.5248 -17.4765 -17.4765 -17.4731 -17.4731 -7.1231 -7.1231 -6.9517 -6.9517 -6.8825 -6.8825 -6.8468 -6.8468 -6.6865 -6.6865 -6.6848 -6.6848 -2.3117 -2.3117 -2.2910 -2.2910 -1.5890 -1.5890 -1.1785 -1.1785 -1.1472 -1.1472 -1.0660 -1.0660 -0.0083 -0.0083 0.2780 0.2780 0.3361 0.3361 1.1639 1.1639 1.1751 1.1751 1.6190 1.6190 1.8054 1.8054 1.8458 1.8458 1.9856 1.9856 2.1852 2.1852 2.2129 2.2129 2.2466 2.2466 3.3301 3.3301 3.5734 3.5734 3.7353 3.7353 6.7405 6.7405 6.7433 6.7433 10.0566 10.0566 13.2001 13.2001 13.6191 13.6191 13.6216 13.6216 14.0008 14.0008 14.0024 14.0024 k = 0.0312 0.0180-0.0000 ( 6805 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3560 -23.3560 -23.3055 -23.3055 -18.1952 -18.1952 -17.6889 -17.6889 -17.6883 -17.6883 -17.5248 -17.5248 -17.4767 -17.4767 -17.4729 -17.4729 -7.1226 -7.1226 -6.9520 -6.9520 -6.8817 -6.8817 -6.8464 -6.8464 -6.6866 -6.6866 -6.6846 -6.6846 -2.3124 -2.3124 -2.2916 -2.2916 -1.5880 -1.5880 -1.1788 -1.1788 -1.1468 -1.1468 -1.0662 -1.0662 -0.0058 -0.0058 0.2781 0.2781 0.3362 0.3362 1.1636 1.1636 1.1750 1.1750 1.6170 1.6170 1.8028 1.8028 1.8433 1.8433 1.9856 1.9856 2.1844 2.1844 2.2121 2.2121 2.2456 2.2456 3.3312 3.3312 3.5739 3.5739 3.7359 3.7359 6.7393 6.7393 6.7428 6.7428 10.0645 10.0645 13.2004 13.2004 13.6185 13.6185 13.6221 13.6221 14.0003 14.0003 14.0042 14.0042 k = 0.0469 0.0271-0.0000 ( 6813 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3558 -23.3558 -23.3056 -23.3056 -18.1950 -18.1950 -17.6894 -17.6894 -17.6882 -17.6882 -17.5249 -17.5249 -17.4770 -17.4770 -17.4726 -17.4726 -7.1217 -7.1217 -6.9525 -6.9525 -6.8803 -6.8803 -6.8457 -6.8457 -6.6868 -6.6868 -6.6844 -6.6844 -2.3136 -2.3136 -2.2926 -2.2926 -1.5863 -1.5863 -1.1793 -1.1793 -1.1460 -1.1460 -1.0665 -1.0665 -0.0017 -0.0017 0.2783 0.2783 0.3363 0.3363 1.1630 1.1630 1.1750 1.1750 1.6139 1.6139 1.7981 1.7981 1.8394 1.8394 1.9856 1.9856 2.1829 2.1829 2.2107 2.2107 2.2440 2.2440 3.3330 3.3330 3.5748 3.5748 3.7369 3.7369 6.7368 6.7368 6.7426 6.7426 10.0777 10.0777 13.2008 13.2008 13.6170 13.6170 13.6234 13.6234 13.9998 13.9998 14.0070 14.0070 k = 0.0625 0.0361-0.0000 ( 6805 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3555 -23.3555 -23.3057 -23.3057 -18.1949 -18.1949 -17.6903 -17.6903 -17.6882 -17.6882 -17.5249 -17.5249 -17.4774 -17.4774 -17.4720 -17.4720 -7.1204 -7.1204 -6.9531 -6.9531 -6.8784 -6.8784 -6.8448 -6.8448 -6.6871 -6.6871 -6.6841 -6.6841 -2.3153 -2.3153 -2.2937 -2.2937 -1.5840 -1.5840 -1.1800 -1.1800 -1.1450 -1.1450 -1.0669 -1.0669 0.0039 0.0039 0.2786 0.2786 0.3365 0.3365 1.1618 1.1618 1.1753 1.1753 1.6095 1.6095 1.7911 1.7911 1.8348 1.8348 1.9856 1.9856 2.1808 2.1808 2.2090 2.2090 2.2417 2.2417 3.3355 3.3355 3.5760 3.5760 3.7383 3.7383 6.7331 6.7331 6.7427 6.7427 10.0960 10.0960 13.2013 13.2013 13.6148 13.6148 13.6255 13.6255 13.9996 13.9996 14.0094 14.0094 k = 0.0781 0.0451-0.0000 ( 6805 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3552 -23.3552 -23.3059 -23.3059 -18.1946 -18.1946 -17.6913 -17.6913 -17.6881 -17.6881 -17.5249 -17.5249 -17.4780 -17.4780 -17.4713 -17.4713 -7.1188 -7.1188 -6.9538 -6.9538 -6.8761 -6.8761 -6.8436 -6.8436 -6.6875 -6.6875 -6.6837 -6.6837 -2.3176 -2.3176 -2.2949 -2.2949 -1.5810 -1.5810 -1.1808 -1.1808 -1.1435 -1.1435 -1.0674 -1.0674 0.0110 0.0110 0.2790 0.2790 0.3369 0.3369 1.1599 1.1599 1.1761 1.1761 1.6038 1.6038 1.7814 1.7814 1.8299 1.8299 1.9857 1.9857 2.1779 2.1779 2.2070 2.2070 2.2389 2.2389 3.3386 3.3386 3.5774 3.5774 3.7401 3.7401 6.7284 6.7284 6.7428 6.7428 10.1195 10.1195 13.2018 13.2018 13.6123 13.6123 13.6280 13.6280 14.0003 14.0003 14.0096 14.0096 k = 0.0938 0.0541-0.0000 ( 6807 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3549 -23.3549 -23.3062 -23.3062 -18.1944 -18.1944 -17.6925 -17.6925 -17.6880 -17.6880 -17.5250 -17.5250 -17.4787 -17.4787 -17.4705 -17.4705 -7.1169 -7.1169 -6.9546 -6.9546 -6.8733 -6.8733 -6.8421 -6.8421 -6.6880 -6.6880 -6.6832 -6.6832 -2.3207 -2.3207 -2.2961 -2.2961 -1.5775 -1.5775 -1.1820 -1.1820 -1.1418 -1.1418 -1.0679 -1.0679 0.0194 0.0194 0.2795 0.2795 0.3372 0.3372 1.1574 1.1574 1.1775 1.1775 1.5970 1.5970 1.7688 1.7688 1.8251 1.8251 1.9857 1.9857 2.1741 2.1741 2.2046 2.2046 2.2357 2.2357 3.3422 3.3422 3.5791 3.5791 3.7423 3.7423 6.7227 6.7227 6.7430 6.7430 10.1481 10.1481 13.2022 13.2022 13.6096 13.6096 13.6310 13.6310 14.0018 14.0018 14.0060 14.0060 k = 0.1094 0.0631-0.0000 ( 6809 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3544 -23.3544 -23.3064 -23.3064 -18.1940 -18.1940 -17.6939 -17.6939 -17.6879 -17.6879 -17.5252 -17.5252 -17.4794 -17.4794 -17.4695 -17.4695 -7.1147 -7.1147 -6.9556 -6.9556 -6.8701 -6.8701 -6.8403 -6.8403 -6.6886 -6.6886 -6.6827 -6.6827 -2.3246 -2.3246 -2.2973 -2.2973 -1.5736 -1.5736 -1.1834 -1.1834 -1.1395 -1.1395 -1.0684 -1.0684 0.0291 0.0291 0.2800 0.2800 0.3377 0.3377 1.1542 1.1542 1.1792 1.1792 1.5891 1.5891 1.7535 1.7535 1.8204 1.8204 1.9858 1.9858 2.1693 2.1693 2.2020 2.2020 2.2321 2.2321 3.3463 3.3463 3.5809 3.5809 3.7449 3.7449 6.7160 6.7160 6.7433 6.7433 10.1816 10.1816 13.2024 13.2024 13.6070 13.6070 13.6344 13.6344 13.9959 13.9959 14.0060 14.0060 k = 0.1250 0.0722-0.0000 ( 6805 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3540 -23.3540 -23.3068 -23.3068 -18.1937 -18.1937 -17.6954 -17.6954 -17.6877 -17.6877 -17.5255 -17.5255 -17.4803 -17.4803 -17.4683 -17.4683 -7.1122 -7.1122 -6.9566 -6.9566 -6.8667 -6.8667 -6.8382 -6.8382 -6.6892 -6.6892 -6.6821 -6.6821 -2.3291 -2.3291 -2.2983 -2.2983 -1.5691 -1.5691 -1.1850 -1.1850 -1.1368 -1.1368 -1.0688 -1.0688 0.0399 0.0399 0.2807 0.2807 0.3384 0.3384 1.1505 1.1505 1.1814 1.1814 1.5800 1.5800 1.7356 1.7356 1.8160 1.8160 1.9860 1.9860 2.1636 2.1636 2.1990 2.1990 2.2284 2.2284 3.3507 3.3507 3.5829 3.5829 3.7479 3.7479 6.7085 6.7085 6.7437 6.7437 10.2199 10.2199 13.2020 13.2020 13.6048 13.6048 13.6380 13.6380 13.9824 13.9824 14.0104 14.0104 k = 0.1406 0.0812-0.0000 ( 6805 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3534 -23.3534 -23.3071 -23.3071 -18.1933 -18.1933 -17.6971 -17.6971 -17.6876 -17.6876 -17.5258 -17.5258 -17.4812 -17.4812 -17.4670 -17.4670 -7.1094 -7.1094 -6.9577 -6.9577 -6.8630 -6.8630 -6.8358 -6.8358 -6.6899 -6.6899 -6.6815 -6.6815 -2.3344 -2.3344 -2.2993 -2.2993 -1.5643 -1.5643 -1.1870 -1.1870 -1.1336 -1.1336 -1.0692 -1.0692 0.0516 0.0516 0.2815 0.2815 0.3391 0.3391 1.1463 1.1463 1.1840 1.1840 1.5700 1.5700 1.7155 1.7155 1.8117 1.8117 1.9861 1.9861 2.1570 2.1570 2.1955 2.1955 2.2246 2.2246 3.3553 3.3553 3.5851 3.5851 3.7513 3.7513 6.7002 6.7002 6.7441 6.7441 10.2629 10.2629 13.2009 13.2009 13.6034 13.6034 13.6419 13.6419 13.9649 13.9649 14.0164 14.0164 k = 0.1562 0.0902-0.0000 ( 6813 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3528 -23.3528 -23.3075 -23.3075 -18.1929 -18.1929 -17.6989 -17.6989 -17.6874 -17.6874 -17.5263 -17.5263 -17.4821 -17.4821 -17.4655 -17.4655 -7.1064 -7.1064 -6.9588 -6.9588 -6.8592 -6.8592 -6.8330 -6.8330 -6.6907 -6.6907 -6.6808 -6.6808 -2.3403 -2.3403 -2.3001 -2.3001 -1.5591 -1.5591 -1.1893 -1.1893 -1.1300 -1.1300 -1.0694 -1.0694 0.0640 0.0640 0.2824 0.2824 0.3400 0.3400 1.1417 1.1417 1.1868 1.1868 1.5591 1.5591 1.6935 1.6935 1.8076 1.8076 1.9863 1.9863 2.1495 2.1495 2.1914 2.1914 2.2211 2.2211 3.3601 3.3601 3.5872 3.5872 3.7550 3.7550 6.6912 6.6912 6.7445 6.7445 10.3105 10.3105 13.1988 13.1988 13.6031 13.6031 13.6457 13.6457 13.9442 13.9442 14.0238 14.0238 k = 0.1719 0.0992-0.0000 ( 6819 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3521 -23.3521 -23.3080 -23.3080 -18.1924 -18.1924 -17.7007 -17.7007 -17.6872 -17.6872 -17.5270 -17.5270 -17.4831 -17.4831 -17.4640 -17.4640 -7.1032 -7.1032 -6.9600 -6.9600 -6.8554 -6.8554 -6.8297 -6.8297 -6.6915 -6.6915 -6.6802 -6.6802 -2.3466 -2.3466 -2.3009 -2.3009 -1.5537 -1.5537 -1.1919 -1.1919 -1.1259 -1.1259 -1.0694 -1.0694 0.0769 0.0769 0.2835 0.2835 0.3411 0.3411 1.1368 1.1368 1.1900 1.1900 1.5474 1.5474 1.6700 1.6700 1.8036 1.8036 1.9865 1.9865 2.1411 2.1411 2.1864 2.1864 2.2179 2.2179 3.3650 3.3650 3.5894 3.5894 3.7591 3.7591 6.6815 6.6815 6.7450 6.7450 10.3624 10.3624 13.1951 13.1951 13.6042 13.6042 13.6497 13.6497 13.9211 13.9211 14.0325 14.0325 k = 0.1875 0.1083-0.0000 ( 6823 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3514 -23.3514 -23.3084 -23.3084 -18.1919 -18.1919 -17.7026 -17.7026 -17.6870 -17.6870 -17.5277 -17.5277 -17.4842 -17.4842 -17.4623 -17.4623 -7.0998 -7.0998 -6.9613 -6.9613 -6.8516 -6.8516 -6.8261 -6.8261 -6.6924 -6.6924 -6.6795 -6.6795 -2.3534 -2.3534 -2.3016 -2.3016 -1.5482 -1.5482 -1.1947 -1.1947 -1.1213 -1.1213 -1.0692 -1.0692 0.0901 0.0901 0.2849 0.2849 0.3425 0.3425 1.1316 1.1316 1.1934 1.1934 1.5350 1.5350 1.6452 1.6452 1.7997 1.7997 1.9867 1.9867 2.1321 2.1321 2.1805 2.1805 2.2153 2.2153 3.3699 3.3699 3.5917 3.5917 3.7635 3.7635 6.6714 6.6714 6.7454 6.7454 10.4185 10.4185 13.1896 13.1896 13.6070 13.6070 13.6535 13.6535 13.8960 13.8960 14.0425 14.0425 k = 0.2031 0.1173-0.0000 ( 6815 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3507 -23.3507 -23.3089 -23.3089 -18.1914 -18.1914 -17.7045 -17.7045 -17.6868 -17.6868 -17.5286 -17.5286 -17.4852 -17.4852 -17.4606 -17.4606 -7.0962 -7.0962 -6.9626 -6.9626 -6.8479 -6.8479 -6.8219 -6.8219 -6.6933 -6.6933 -6.6789 -6.6789 -2.3604 -2.3604 -2.3022 -2.3022 -1.5426 -1.5426 -1.1979 -1.1979 -1.1162 -1.1162 -1.0686 -1.0686 0.1032 0.1032 0.2867 0.2867 0.3440 0.3440 1.1264 1.1264 1.1970 1.1970 1.5221 1.5221 1.6196 1.6196 1.7960 1.7960 1.9869 1.9869 2.1226 2.1226 2.1739 2.1739 2.2131 2.2131 3.3746 3.3746 3.5940 3.5940 3.7682 3.7682 6.6608 6.6608 6.7460 6.7460 10.4785 10.4785 13.1818 13.1818 13.6116 13.6116 13.6572 13.6572 13.8694 13.8694 14.0536 14.0536 k = 0.2188 0.1263-0.0000 ( 6807 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3499 -23.3499 -23.3095 -23.3095 -18.1909 -18.1909 -17.7064 -17.7064 -17.6866 -17.6866 -17.5296 -17.5296 -17.4862 -17.4862 -17.4588 -17.4588 -7.0925 -7.0925 -6.9639 -6.9639 -6.8443 -6.8443 -6.8173 -6.8173 -6.6943 -6.6943 -6.6782 -6.6782 -2.3677 -2.3677 -2.3028 -2.3028 -1.5370 -1.5370 -1.2012 -1.2012 -1.1109 -1.1109 -1.0676 -1.0676 0.1160 0.1160 0.2890 0.2890 0.3458 0.3458 1.1210 1.1210 1.2008 1.2008 1.5088 1.5088 1.5933 1.5933 1.7925 1.7925 1.9872 1.9872 2.1125 2.1125 2.1666 2.1666 2.2113 2.2113 3.3792 3.3792 3.5962 3.5962 3.7732 3.7732 6.6500 6.6500 6.7466 6.7466 10.5424 10.5424 13.1710 13.1710 13.6182 13.6182 13.6608 13.6608 13.8421 13.8421 14.0657 14.0657 k = 0.2344 0.1353-0.0000 ( 6805 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3490 -23.3490 -23.3101 -23.3101 -18.1904 -18.1904 -17.7083 -17.7083 -17.6864 -17.6864 -17.5307 -17.5307 -17.4872 -17.4872 -17.4569 -17.4569 -7.0887 -7.0887 -6.9653 -6.9653 -6.8409 -6.8409 -6.8123 -6.8123 -6.6953 -6.6953 -6.6777 -6.6777 -2.3751 -2.3751 -2.3034 -2.3034 -1.5315 -1.5315 -1.2048 -1.2048 -1.1054 -1.1054 -1.0659 -1.0659 0.1280 0.1280 0.2919 0.2919 0.3480 0.3480 1.1155 1.1155 1.2047 1.2047 1.4952 1.4952 1.5667 1.5667 1.7890 1.7890 1.9873 1.9873 2.1021 2.1021 2.1587 2.1587 2.2098 2.2098 3.3836 3.3836 3.5985 3.5985 3.7782 3.7782 6.6389 6.6389 6.7472 6.7472 10.6098 10.6098 13.1569 13.1569 13.6266 13.6266 13.6642 13.6642 13.8148 13.8148 14.0787 14.0787 k = 0.2500 0.1443-0.0000 ( 6799 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3482 -23.3482 -23.3107 -23.3107 -18.1898 -18.1898 -17.7102 -17.7102 -17.6862 -17.6862 -17.5319 -17.5319 -17.4882 -17.4882 -17.4550 -17.4550 -7.0849 -7.0849 -6.9667 -6.9667 -6.8377 -6.8377 -6.8069 -6.8069 -6.6963 -6.6963 -6.6772 -6.6772 -2.3826 -2.3826 -2.3039 -2.3039 -1.5262 -1.5262 -1.2086 -1.2086 -1.1001 -1.1001 -1.0634 -1.0634 0.1389 0.1389 0.2954 0.2954 0.3505 0.3505 1.1100 1.1100 1.2086 1.2086 1.4815 1.4815 1.5401 1.5401 1.7858 1.7858 1.9874 1.9874 2.0914 2.0914 2.1505 2.1505 2.2085 2.2085 3.3876 3.3876 3.6007 3.6007 3.7834 3.7834 6.6277 6.6277 6.7478 6.7478 10.6805 10.6805 13.1389 13.1389 13.6361 13.6361 13.6674 13.6674 13.7888 13.7888 14.0924 14.0924 k = 0.2656 0.1534-0.0000 ( 6791 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3473 -23.3473 -23.3113 -23.3113 -18.1893 -18.1893 -17.7120 -17.7120 -17.6859 -17.6859 -17.5332 -17.5332 -17.4891 -17.4891 -17.4532 -17.4532 -7.0809 -7.0809 -6.9682 -6.9682 -6.8346 -6.8346 -6.8013 -6.8013 -6.6973 -6.6973 -6.6768 -6.6768 -2.3900 -2.3900 -2.3045 -2.3045 -1.5211 -1.5211 -1.2125 -1.2125 -1.0950 -1.0950 -1.0598 -1.0598 0.1486 0.1486 0.2996 0.2996 0.3535 0.3535 1.1046 1.1046 1.2126 1.2126 1.4677 1.4677 1.5138 1.5138 1.7826 1.7826 1.9874 1.9874 2.0805 2.0805 2.1419 2.1419 2.2073 2.2073 3.3914 3.3914 3.6030 3.6030 3.7887 3.7887 6.6166 6.6166 6.7484 6.7484 10.7543 10.7543 13.1164 13.1164 13.6451 13.6451 13.6704 13.6704 13.7664 13.7664 14.1066 14.1066 k = 0.2812 0.1624-0.0000 ( 6785 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3463 -23.3463 -23.3120 -23.3120 -18.1888 -18.1888 -17.7138 -17.7138 -17.6857 -17.6857 -17.5346 -17.5346 -17.4901 -17.4901 -17.4513 -17.4513 -7.0770 -7.0770 -6.9697 -6.9697 -6.8317 -6.8317 -6.7955 -6.7955 -6.6983 -6.6983 -6.6765 -6.6765 -2.3974 -2.3974 -2.3050 -2.3050 -1.5162 -1.5162 -1.2165 -1.2165 -1.0907 -1.0907 -1.0550 -1.0550 0.1566 0.1566 0.3045 0.3045 0.3570 0.3570 1.0993 1.0993 1.2165 1.2165 1.4539 1.4539 1.4882 1.4882 1.7797 1.7797 1.9873 1.9873 2.0698 2.0698 2.1332 2.1332 2.2063 2.2063 3.3948 3.3948 3.6052 3.6052 3.7939 3.7939 6.6055 6.6055 6.7490 6.7490 10.8310 10.8310 13.0889 13.0889 13.6503 13.6503 13.6731 13.6731 13.7514 13.7514 14.1211 14.1211 k = 0.2969 0.1714-0.0000 ( 6789 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3454 -23.3454 -23.3127 -23.3127 -18.1882 -18.1882 -17.7155 -17.7155 -17.6855 -17.6855 -17.5360 -17.5360 -17.4909 -17.4909 -17.4495 -17.4495 -7.0731 -7.0731 -6.9713 -6.9713 -6.8290 -6.8290 -6.7896 -6.7896 -6.6993 -6.6993 -6.6764 -6.6764 -2.4047 -2.4047 -2.3055 -2.3055 -1.5117 -1.5117 -1.2206 -1.2206 -1.0872 -1.0872 -1.0489 -1.0489 0.1630 0.1630 0.3098 0.3098 0.3613 0.3613 1.0941 1.0941 1.2204 1.2204 1.4399 1.4399 1.4640 1.4640 1.7770 1.7770 1.9868 1.9868 2.0592 2.0592 2.1245 2.1245 2.2054 2.2054 3.3978 3.3978 3.6073 3.6073 3.7990 3.7990 6.5947 6.5947 6.7497 6.7497 10.9101 10.9101 13.0562 13.0562 13.6471 13.6471 13.6756 13.6756 13.7489 13.7489 14.1358 14.1358 k = 0.3125 0.1804-0.0000 ( 6795 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3444 -23.3444 -23.3134 -23.3134 -18.1877 -18.1877 -17.7171 -17.7171 -17.6853 -17.6853 -17.5374 -17.5374 -17.4917 -17.4917 -17.4478 -17.4478 -7.0692 -7.0692 -6.9729 -6.9729 -6.8263 -6.8263 -6.7837 -6.7837 -6.7002 -6.7002 -6.6763 -6.6763 -2.4117 -2.4117 -2.3060 -2.3060 -1.5075 -1.5075 -1.2246 -1.2246 -1.0845 -1.0845 -1.0417 -1.0417 0.1678 0.1678 0.3151 0.3151 0.3664 0.3664 1.0890 1.0890 1.2240 1.2240 1.4249 1.4249 1.4424 1.4424 1.7744 1.7744 1.9860 1.9860 2.0491 2.0491 2.1158 2.1158 2.2046 2.2046 3.4004 3.4004 3.6094 3.6094 3.8039 3.8039 6.5842 6.5842 6.7503 6.7503 10.9915 10.9915 13.0178 13.0178 13.6353 13.6353 13.6779 13.6779 13.7594 13.7594 14.1503 14.1503 k = 0.3281 0.1894-0.0000 ( 6803 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3435 -23.3435 -23.3141 -23.3141 -18.1872 -18.1872 -17.7187 -17.7187 -17.6851 -17.6851 -17.5388 -17.5388 -17.4925 -17.4925 -17.4461 -17.4461 -7.0653 -7.0653 -6.9745 -6.9745 -6.8238 -6.8238 -6.7778 -6.7778 -6.7010 -6.7010 -6.6765 -6.6765 -2.4184 -2.4184 -2.3065 -2.3065 -1.5037 -1.5037 -1.2285 -1.2285 -1.0823 -1.0823 -1.0338 -1.0338 0.1710 0.1710 0.3203 0.3203 0.3724 0.3724 1.0842 1.0842 1.2274 1.2274 1.4072 1.4072 1.4252 1.4252 1.7721 1.7721 1.9847 1.9847 2.0397 2.0397 2.1072 2.1072 2.2038 2.2038 3.4027 3.4027 3.6114 3.6114 3.8087 3.8087 6.5742 6.5742 6.7509 6.7509 11.0749 11.0749 12.9738 12.9738 13.6196 13.6196 13.6799 13.6799 13.7786 13.7786 14.1646 14.1646 k = 0.3438 0.1985-0.0000 ( 6817 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3425 -23.3425 -23.3148 -23.3148 -18.1868 -18.1868 -17.7201 -17.7201 -17.6849 -17.6849 -17.5402 -17.5402 -17.4932 -17.4932 -17.4445 -17.4445 -7.0616 -7.0616 -6.9762 -6.9762 -6.8214 -6.8214 -6.7721 -6.7721 -6.7018 -6.7018 -6.6767 -6.6767 -2.4248 -2.4248 -2.3069 -2.3069 -1.5003 -1.5003 -1.2324 -1.2324 -1.0805 -1.0805 -1.0254 -1.0254 0.1730 0.1730 0.3249 0.3249 0.3793 0.3793 1.0796 1.0796 1.2306 1.2306 1.3878 1.3878 1.4122 1.4122 1.7700 1.7700 1.9827 1.9827 2.0313 2.0313 2.0989 2.0989 2.2032 2.2032 3.4046 3.4046 3.6134 3.6134 3.8132 3.8132 6.5646 6.5646 6.7514 6.7514 11.1598 11.1598 12.9242 12.9242 13.6032 13.6032 13.6818 13.6818 13.8030 13.8030 14.1785 14.1785 k = 0.3594 0.2075-0.0000 ( 6817 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3416 -23.3416 -23.3155 -23.3155 -18.1863 -18.1863 -17.7214 -17.7214 -17.6847 -17.6847 -17.5416 -17.5416 -17.4938 -17.4938 -17.4430 -17.4430 -7.0579 -7.0579 -6.9779 -6.9779 -6.8192 -6.8192 -6.7667 -6.7667 -6.7025 -6.7025 -6.6772 -6.6772 -2.4307 -2.4307 -2.3073 -2.3073 -1.4972 -1.4972 -1.2360 -1.2360 -1.0791 -1.0791 -1.0168 -1.0168 0.1739 0.1739 0.3289 0.3289 0.3868 0.3868 1.0752 1.0752 1.2334 1.2334 1.3687 1.3687 1.4014 1.4014 1.7681 1.7681 1.9798 1.9798 2.0243 2.0243 2.0910 2.0910 2.2026 2.2026 3.4063 3.4063 3.6153 3.6153 3.8174 3.8174 6.5557 6.5557 6.7519 6.7519 11.2458 11.2458 12.8695 12.8695 13.5879 13.5879 13.6834 13.6834 13.8309 13.8309 14.1917 14.1917 k = 0.3750 0.2165-0.0000 ( 6819 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3407 -23.3407 -23.3163 -23.3163 -18.1859 -18.1859 -17.7225 -17.7225 -17.6846 -17.6846 -17.5429 -17.5429 -17.4944 -17.4944 -17.4417 -17.4417 -7.0545 -7.0545 -6.9795 -6.9795 -6.8171 -6.8171 -6.7615 -6.7615 -6.7030 -6.7030 -6.6778 -6.6778 -2.4361 -2.4361 -2.3077 -2.3077 -1.4945 -1.4945 -1.2394 -1.2394 -1.0778 -1.0778 -1.0083 -1.0083 0.1740 0.1740 0.3322 0.3322 0.3947 0.3947 1.0712 1.0712 1.2358 1.2358 1.3509 1.3509 1.3921 1.3921 1.7665 1.7665 1.9760 1.9760 2.0189 2.0189 2.0836 2.0836 2.2020 2.2020 3.4076 3.4076 3.6170 3.6170 3.8213 3.8213 6.5475 6.5475 6.7525 6.7525 11.3326 11.3326 12.8100 12.8100 13.5742 13.5742 13.6848 13.6848 13.8614 13.8614 14.2040 14.2040 k = 0.3906 0.2255-0.0000 ( 6823 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3398 -23.3398 -23.3170 -23.3170 -18.1855 -18.1855 -17.7236 -17.7236 -17.6844 -17.6844 -17.5440 -17.5440 -17.4949 -17.4949 -17.4405 -17.4405 -7.0512 -7.0512 -6.9812 -6.9812 -6.8153 -6.8153 -6.7567 -6.7567 -6.7033 -6.7033 -6.6786 -6.6786 -2.4411 -2.4411 -2.3080 -2.3080 -1.4922 -1.4922 -1.2425 -1.2425 -1.0768 -1.0768 -1.0002 -1.0002 0.1736 0.1736 0.3349 0.3349 0.4025 0.4025 1.0674 1.0674 1.2377 1.2377 1.3349 1.3349 1.3841 1.3841 1.7650 1.7650 1.9714 1.9714 2.0149 2.0149 2.0768 2.0768 2.2015 2.2015 3.4087 3.4087 3.6186 3.6186 3.8248 3.8248 6.5400 6.5400 6.7529 6.7529 11.4195 11.4195 12.7466 12.7466 13.5625 13.5625 13.6860 13.6860 13.8939 13.8939 14.2154 14.2154 k = 0.4062 0.2345-0.0000 ( 6827 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3390 -23.3390 -23.3176 -23.3176 -18.1852 -18.1852 -17.7245 -17.7245 -17.6843 -17.6843 -17.5451 -17.5451 -17.4953 -17.4953 -17.4394 -17.4394 -7.0482 -7.0482 -6.9828 -6.9828 -6.8136 -6.8136 -6.7524 -6.7524 -6.7034 -6.7034 -6.6795 -6.6795 -2.4454 -2.4454 -2.3083 -2.3083 -1.4902 -1.4902 -1.2453 -1.2453 -1.0759 -1.0759 -0.9927 -0.9927 0.1727 0.1727 0.3371 0.3371 0.4099 0.4099 1.0640 1.0640 1.2393 1.2393 1.3208 1.3208 1.3774 1.3774 1.7638 1.7638 1.9664 1.9664 2.0121 2.0121 2.0707 2.0707 2.2011 2.2011 3.4095 3.4095 3.6200 3.6200 3.8280 3.8280 6.5334 6.5334 6.7533 6.7533 11.5057 11.5057 12.6802 12.6802 13.5527 13.5527 13.6871 13.6871 13.9279 13.9279 14.2255 14.2255 k = 0.4219 0.2436-0.0000 ( 6831 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3382 -23.3382 -23.3183 -23.3183 -18.1849 -18.1849 -17.7252 -17.7252 -17.6842 -17.6842 -17.5461 -17.5461 -17.4957 -17.4957 -17.4385 -17.4385 -7.0455 -7.0455 -6.9843 -6.9843 -6.8121 -6.8121 -6.7487 -6.7487 -6.7033 -6.7033 -6.6805 -6.6805 -2.4492 -2.4492 -2.3086 -2.3086 -1.4886 -1.4886 -1.2478 -1.2478 -1.0751 -1.0751 -0.9860 -0.9860 0.1717 0.1717 0.3389 0.3389 0.4165 0.4165 1.0611 1.0611 1.2404 1.2404 1.3089 1.3089 1.3719 1.3719 1.7627 1.7627 1.9615 1.9615 2.0103 2.0103 2.0653 2.0653 2.2008 2.2008 3.4102 3.4102 3.6213 3.6213 3.8306 3.8306 6.5277 6.5277 6.7537 6.7537 11.5902 11.5902 12.6120 12.6120 13.5446 13.5446 13.6879 13.6879 13.9631 13.9631 14.2344 14.2344 k = 0.4375 0.2526-0.0000 ( 6827 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3375 -23.3375 -23.3188 -23.3188 -18.1847 -18.1847 -17.7259 -17.7259 -17.6841 -17.6841 -17.5468 -17.5468 -17.4960 -17.4960 -17.4377 -17.4377 -7.0431 -7.0431 -6.9856 -6.9856 -6.8109 -6.8109 -6.7456 -6.7456 -6.7030 -6.7030 -6.6815 -6.6815 -2.4522 -2.4522 -2.3088 -2.3088 -1.4873 -1.4873 -1.2498 -1.2498 -1.0745 -1.0745 -0.9802 -0.9802 0.1706 0.1706 0.3403 0.3403 0.4223 0.4223 1.0585 1.0585 1.2411 1.2411 1.2991 1.2991 1.3675 1.3675 1.7619 1.7619 1.9570 1.9570 2.0091 2.0091 2.0608 2.0608 2.2005 2.2005 3.4107 3.4107 3.6224 3.6224 3.8329 3.8329 6.5230 6.5230 6.7540 6.7540 11.6714 11.6714 12.5439 12.5439 13.5382 13.5382 13.6886 13.6886 13.9991 13.9991 14.2418 14.2418 k = 0.4531 0.2616-0.0000 ( 6826 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3370 -23.3370 -23.3193 -23.3193 -18.1845 -18.1845 -17.7264 -17.7264 -17.6840 -17.6840 -17.5475 -17.5475 -17.4962 -17.4962 -17.4371 -17.4371 -7.0412 -7.0412 -6.9867 -6.9867 -6.8099 -6.8099 -6.7432 -6.7432 -6.7026 -6.7026 -6.6826 -6.6826 -2.4547 -2.4547 -2.3090 -2.3090 -1.4863 -1.4863 -1.2514 -1.2514 -1.0740 -1.0740 -0.9755 -0.9755 0.1696 0.1696 0.3413 0.3413 0.4270 0.4270 1.0565 1.0565 1.2416 1.2416 1.2915 1.2915 1.3642 1.3642 1.7613 1.7613 1.9532 1.9532 2.0083 2.0083 2.0572 2.0572 2.2002 2.2002 3.4111 3.4111 3.6233 3.6233 3.8347 3.8347 6.5193 6.5193 6.7542 6.7542 11.7465 11.7465 12.4788 12.4788 13.5334 13.5334 13.6892 13.6892 14.0352 14.0352 14.2475 14.2475 k = 0.4688 0.2706-0.0000 ( 6822 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3365 -23.3365 -23.3197 -23.3197 -18.1844 -18.1844 -17.7267 -17.7267 -17.6839 -17.6839 -17.5479 -17.5479 -17.4964 -17.4964 -17.4367 -17.4367 -7.0398 -7.0398 -6.9876 -6.9876 -6.8092 -6.8092 -6.7414 -6.7414 -6.7021 -6.7021 -6.6835 -6.6835 -2.4564 -2.4564 -2.3090 -2.3090 -1.4856 -1.4856 -1.2525 -1.2525 -1.0736 -1.0736 -0.9721 -0.9721 0.1689 0.1689 0.3420 0.3420 0.4304 0.4304 1.0550 1.0550 1.2418 1.2418 1.2861 1.2861 1.3619 1.3619 1.7609 1.7609 1.9504 1.9504 2.0079 2.0079 2.0546 2.0546 2.2001 2.2001 3.4113 3.4113 3.6239 3.6239 3.8359 3.8359 6.5166 6.5166 6.7544 6.7544 11.8110 11.8110 12.4213 12.4213 13.5301 13.5301 13.6896 13.6896 14.0708 14.0708 14.2300 14.2300 k = 0.4844 0.2797-0.0000 ( 6826 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3363 -23.3363 -23.3199 -23.3199 -18.1843 -18.1843 -17.7269 -17.7269 -17.6839 -17.6839 -17.5482 -17.5482 -17.4965 -17.4965 -17.4364 -17.4364 -7.0389 -7.0389 -6.9881 -6.9881 -6.8088 -6.8088 -6.7404 -6.7404 -6.7017 -6.7017 -6.6841 -6.6841 -2.4575 -2.4575 -2.3091 -2.3091 -1.4851 -1.4851 -1.2532 -1.2532 -1.0734 -1.0734 -0.9700 -0.9700 0.1684 0.1684 0.3424 0.3424 0.4325 0.4325 1.0541 1.0541 1.2419 1.2419 1.2829 1.2829 1.3606 1.3606 1.7606 1.7606 1.9486 1.9486 2.0076 2.0076 2.0530 2.0530 2.1999 2.1999 3.4115 3.4115 3.6242 3.6242 3.8367 3.8367 6.5149 6.5149 6.7545 6.7545 11.8569 11.8569 12.3796 12.3796 13.5281 13.5281 13.6898 13.6898 14.1032 14.1032 14.1997 14.1997 k = 0.5000 0.2887-0.0000 ( 6836 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3362 -23.3362 -23.3200 -23.3200 -18.1843 -18.1843 -17.7270 -17.7270 -17.6839 -17.6839 -17.5483 -17.5483 -17.4965 -17.4965 -17.4363 -17.4363 -7.0386 -7.0386 -6.9883 -6.9883 -6.8086 -6.8086 -6.7400 -6.7400 -6.7016 -6.7016 -6.6843 -6.6843 -2.4579 -2.4579 -2.3092 -2.3092 -1.4850 -1.4850 -1.2535 -1.2535 -1.0734 -1.0734 -0.9693 -0.9693 0.1682 0.1682 0.3426 0.3426 0.4332 0.4332 1.0537 1.0537 1.2419 1.2419 1.2818 1.2818 1.3601 1.3601 1.7605 1.7605 1.9480 1.9480 2.0075 2.0075 2.0525 2.0525 2.1999 2.1999 3.4115 3.4115 3.6243 3.6243 3.8369 3.8369 6.5144 6.5144 6.7545 6.7545 11.8741 11.8741 12.3638 12.3638 13.5274 13.5274 13.6898 13.6898 14.1207 14.1207 14.1829 14.1829 k = 0.5000 0.2887-0.0000 ( 6836 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3362 -23.3362 -23.3200 -23.3200 -18.1843 -18.1843 -17.7270 -17.7270 -17.6839 -17.6839 -17.5483 -17.5483 -17.4965 -17.4965 -17.4363 -17.4363 -7.0386 -7.0386 -6.9883 -6.9883 -6.8086 -6.8086 -6.7400 -6.7400 -6.7016 -6.7016 -6.6843 -6.6843 -2.4579 -2.4579 -2.3092 -2.3092 -1.4850 -1.4850 -1.2535 -1.2535 -1.0734 -1.0734 -0.9693 -0.9693 0.1682 0.1682 0.3426 0.3426 0.4332 0.4332 1.0537 1.0537 1.2419 1.2419 1.2818 1.2818 1.3601 1.3601 1.7605 1.7605 1.9480 1.9480 2.0075 2.0075 2.0525 2.0525 2.1999 2.1999 3.4115 3.4115 3.6243 3.6243 3.8369 3.8369 6.5144 6.5144 6.7545 6.7545 11.8741 11.8741 12.3638 12.3638 13.5274 13.5274 13.6898 13.6898 14.1207 14.1207 14.1829 14.1829 k = 0.4912 0.3039-0.0000 ( 6826 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3362 -23.3362 -23.3200 -23.3200 -18.1842 -18.1842 -17.7270 -17.7270 -17.6840 -17.6840 -17.5482 -17.5482 -17.4966 -17.4966 -17.4363 -17.4363 -7.0385 -7.0385 -6.9884 -6.9884 -6.8085 -6.8085 -6.7400 -6.7400 -6.7017 -6.7017 -6.6842 -6.6842 -2.4576 -2.4576 -2.3095 -2.3095 -1.4849 -1.4849 -1.2533 -1.2533 -1.0736 -1.0736 -0.9693 -0.9693 0.1689 0.1689 0.3425 0.3425 0.4331 0.4331 1.0540 1.0540 1.2417 1.2417 1.2822 1.2822 1.3599 1.3599 1.7590 1.7590 1.9485 1.9485 2.0075 2.0075 2.0526 2.0526 2.1995 2.1995 3.4120 3.4120 3.6244 3.6244 3.8368 3.8368 6.5148 6.5148 6.7540 6.7540 11.8759 11.8759 12.3649 12.3649 13.5230 13.5230 13.6944 13.6944 14.1208 14.1208 14.1835 14.1835 k = 0.4825 0.3191-0.0000 ( 6828 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3361 -23.3361 -23.3201 -23.3201 -18.1842 -18.1842 -17.7269 -17.7269 -17.6844 -17.6844 -17.5480 -17.5480 -17.4967 -17.4967 -17.4363 -17.4363 -7.0382 -7.0382 -6.9885 -6.9885 -6.8082 -6.8082 -6.7401 -6.7401 -6.7021 -6.7021 -6.6837 -6.6837 -2.4570 -2.4570 -2.3106 -2.3106 -1.4848 -1.4848 -1.2528 -1.2528 -1.0743 -1.0743 -0.9694 -0.9694 0.1708 0.1708 0.3424 0.3424 0.4329 0.4329 1.0549 1.0549 1.2409 1.2409 1.2834 1.2834 1.3592 1.3592 1.7545 1.7545 1.9498 1.9498 2.0075 2.0075 2.0527 2.0527 2.1980 2.1980 3.4133 3.4133 3.6247 3.6247 3.8364 3.8364 6.5159 6.5159 6.7523 6.7523 11.8812 11.8812 12.3680 12.3680 13.5110 13.5110 13.7070 13.7070 14.1209 14.1209 14.1854 14.1854 k = 0.4737 0.3343-0.0000 ( 6820 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3359 -23.3359 -23.3202 -23.3202 -18.1841 -18.1841 -17.7266 -17.7266 -17.6851 -17.6851 -17.5476 -17.5476 -17.4968 -17.4968 -17.4362 -17.4362 -7.0377 -7.0377 -6.9888 -6.9888 -6.8078 -6.8078 -6.7401 -6.7401 -6.7026 -6.7026 -6.6830 -6.6830 -2.4559 -2.4559 -2.3123 -2.3123 -1.4845 -1.4845 -1.2519 -1.2519 -1.0754 -1.0754 -0.9695 -0.9695 0.1739 0.1739 0.3422 0.3422 0.4325 0.4325 1.0564 1.0564 1.2396 1.2396 1.2854 1.2854 1.3580 1.3580 1.7473 1.7473 1.9519 1.9519 2.0075 2.0075 2.0530 2.0530 2.1957 2.1957 3.4155 3.4155 3.6252 3.6252 3.8357 3.8357 6.5177 6.5177 6.7495 6.7495 11.8901 11.8901 12.3732 12.3732 13.4936 13.4936 13.7251 13.7251 14.1213 14.1213 14.1884 14.1884 k = 0.4649 0.3494-0.0000 ( 6826 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3358 -23.3358 -23.3203 -23.3203 -18.1841 -18.1841 -17.7264 -17.7264 -17.6859 -17.6859 -17.5471 -17.5471 -17.4970 -17.4970 -17.4362 -17.4362 -7.0370 -7.0370 -6.9892 -6.9892 -6.8072 -6.8072 -6.7401 -6.7401 -6.7034 -6.7034 -6.6820 -6.6820 -2.4544 -2.4544 -2.3147 -2.3147 -1.4843 -1.4843 -1.2508 -1.2508 -1.0770 -1.0770 -0.9697 -0.9697 0.1782 0.1782 0.3420 0.3420 0.4319 0.4319 1.0584 1.0584 1.2378 1.2378 1.2882 1.2882 1.3565 1.3565 1.7373 1.7373 1.9549 1.9549 2.0074 2.0074 2.0533 2.0533 2.1924 2.1924 3.4184 3.4184 3.6258 3.6258 3.8347 3.8347 6.5203 6.5203 6.7457 6.7457 11.9025 11.9025 12.3804 12.3804 13.4725 13.4725 13.7467 13.7467 14.1218 14.1218 14.1926 14.1926 k = 0.4561 0.3646-0.0000 ( 6830 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3355 -23.3355 -23.3205 -23.3205 -18.1839 -18.1839 -17.7260 -17.7260 -17.6870 -17.6870 -17.5465 -17.5465 -17.4973 -17.4973 -17.4361 -17.4361 -7.0361 -7.0361 -6.9898 -6.9898 -6.8064 -6.8064 -6.7402 -6.7402 -6.7042 -6.7042 -6.6809 -6.6809 -2.4525 -2.4525 -2.3177 -2.3177 -1.4839 -1.4839 -1.2493 -1.2493 -1.0789 -1.0789 -0.9700 -0.9700 0.1835 0.1835 0.3417 0.3417 0.4311 0.4311 1.0610 1.0610 1.2354 1.2354 1.2918 1.2918 1.3548 1.3548 1.7248 1.7248 1.9585 1.9585 2.0073 2.0073 2.0537 2.0537 2.1882 2.1882 3.4219 3.4219 3.6267 3.6267 3.8335 3.8335 6.5235 6.5235 6.7408 6.7408 11.9184 11.9184 12.3894 12.3894 13.4490 13.4490 13.7705 13.7705 14.1226 14.1226 14.1978 14.1978 k = 0.4474 0.3798-0.0000 ( 6838 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3352 -23.3352 -23.3208 -23.3208 -18.1838 -18.1838 -17.7255 -17.7255 -17.6883 -17.6883 -17.5458 -17.5458 -17.4976 -17.4976 -17.4360 -17.4360 -7.0350 -7.0350 -6.9904 -6.9904 -6.8054 -6.8054 -6.7403 -6.7403 -6.7051 -6.7051 -6.6797 -6.6797 -2.4502 -2.4502 -2.3213 -2.3213 -1.4835 -1.4835 -1.2476 -1.2476 -1.0812 -1.0812 -0.9702 -0.9702 0.1897 0.1897 0.3413 0.3413 0.4302 0.4302 1.0641 1.0641 1.2323 1.2323 1.2963 1.2963 1.3529 1.3529 1.7100 1.7100 1.9629 1.9629 2.0072 2.0072 2.0543 2.0543 2.1831 2.1831 3.4260 3.4260 3.6277 3.6277 3.8320 3.8320 6.5275 6.5275 6.7350 6.7350 11.9375 11.9375 12.4001 12.4001 13.4233 13.4233 13.7956 13.7956 14.1237 14.1237 14.2037 14.2037 k = 0.4386 0.3950-0.0000 ( 6846 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3349 -23.3349 -23.3211 -23.3211 -18.1837 -18.1837 -17.7250 -17.7250 -17.6898 -17.6898 -17.5450 -17.5450 -17.4980 -17.4980 -17.4359 -17.4359 -7.0338 -7.0338 -6.9912 -6.9912 -6.8043 -6.8043 -6.7403 -6.7403 -6.7060 -6.7060 -6.6784 -6.6784 -2.4476 -2.4476 -2.3254 -2.3254 -1.4830 -1.4830 -1.2457 -1.2457 -1.0837 -1.0837 -0.9705 -0.9705 0.1966 0.1966 0.3409 0.3409 0.4291 0.4291 1.0676 1.0676 1.2285 1.2285 1.3016 1.3016 1.3510 1.3510 1.6932 1.6932 1.9678 1.9678 2.0072 2.0072 2.0549 2.0549 2.1772 2.1772 3.4304 3.4304 3.6289 3.6289 3.8304 3.8304 6.5320 6.5320 6.7283 6.7283 11.9598 11.9598 12.4122 12.4122 13.3957 13.3957 13.8213 13.8213 14.1252 14.1252 14.2104 14.2104 k = 0.4298 0.4102-0.0000 ( 6846 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3345 -23.3345 -23.3214 -23.3214 -18.1835 -18.1835 -17.7243 -17.7243 -17.6914 -17.6914 -17.5442 -17.5442 -17.4984 -17.4984 -17.4358 -17.4358 -7.0324 -7.0324 -6.9920 -6.9920 -6.8031 -6.8031 -6.7404 -6.7404 -6.7070 -6.7070 -6.6771 -6.6771 -2.4446 -2.4446 -2.3300 -2.3300 -1.4825 -1.4825 -1.2436 -1.2436 -1.0863 -1.0863 -0.9708 -0.9708 0.2042 0.2042 0.3405 0.3405 0.4279 0.4279 1.0717 1.0717 1.2241 1.2241 1.3077 1.3077 1.3492 1.3492 1.6745 1.6745 1.9732 1.9732 2.0071 2.0071 2.0557 2.0557 2.1706 2.1706 3.4350 3.4350 3.6303 3.6303 3.8287 3.8287 6.5372 6.5372 6.7209 6.7209 11.9851 11.9851 12.4255 12.4255 13.3663 13.3663 13.8471 13.8471 14.1272 14.1272 14.2174 14.2174 k = 0.4211 0.4254-0.0000 ( 6846 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3341 -23.3341 -23.3218 -23.3218 -18.1834 -18.1834 -17.7236 -17.7236 -17.6931 -17.6931 -17.5434 -17.5434 -17.4988 -17.4988 -17.4357 -17.4357 -7.0309 -7.0309 -6.9930 -6.9930 -6.8019 -6.8019 -6.7405 -6.7405 -6.7080 -6.7080 -6.6757 -6.6757 -2.4413 -2.4413 -2.3350 -2.3350 -1.4819 -1.4819 -1.2413 -1.2413 -1.0891 -1.0891 -0.9711 -0.9711 0.2122 0.2122 0.3402 0.3402 0.4266 0.4266 1.0762 1.0762 1.2191 1.2191 1.3146 1.3146 1.3478 1.3478 1.6544 1.6544 1.9791 1.9791 2.0070 2.0070 2.0566 2.0566 2.1632 2.1632 3.4397 3.4397 3.6318 3.6318 3.8269 3.8269 6.5429 6.5429 6.7128 6.7128 12.0133 12.0133 12.4397 12.4397 13.3349 13.3349 13.8724 13.8724 14.1299 14.1299 14.2245 14.2245 k = 0.4123 0.4406-0.0000 ( 6846 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3336 -23.3336 -23.3222 -23.3222 -18.1832 -18.1832 -17.7228 -17.7228 -17.6949 -17.6949 -17.5426 -17.5426 -17.4992 -17.4992 -17.4356 -17.4356 -7.0292 -7.0292 -6.9942 -6.9942 -6.8005 -6.8005 -6.7405 -6.7405 -6.7089 -6.7089 -6.6744 -6.6744 -2.4377 -2.4377 -2.3403 -2.3403 -1.4814 -1.4814 -1.2390 -1.2390 -1.0919 -1.0919 -0.9713 -0.9713 0.2203 0.2203 0.3399 0.3399 0.4253 0.4253 1.0811 1.0811 1.2133 1.2133 1.3221 1.3221 1.3471 1.3471 1.6331 1.6331 1.9854 1.9854 2.0070 2.0070 2.0576 2.0576 2.1551 2.1551 3.4443 3.4443 3.6335 3.6335 3.8250 3.8250 6.5491 6.5491 6.7041 6.7041 12.0443 12.0443 12.4541 12.4541 13.3016 13.3016 13.8969 13.8969 14.1333 14.1333 14.2314 14.2314 k = 0.4035 0.4558-0.0000 ( 6834 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3331 -23.3331 -23.3226 -23.3226 -18.1830 -18.1830 -17.7218 -17.7218 -17.6968 -17.6968 -17.5418 -17.5418 -17.4996 -17.4996 -17.4354 -17.4354 -7.0274 -7.0274 -6.9954 -6.9954 -6.7992 -6.7992 -6.7406 -6.7406 -6.7098 -6.7098 -6.6731 -6.6731 -2.4338 -2.4338 -2.3459 -2.3459 -1.4808 -1.4808 -1.2367 -1.2367 -1.0945 -1.0945 -0.9714 -0.9714 0.2283 0.2283 0.3398 0.3398 0.4238 0.4238 1.0865 1.0865 1.2070 1.2070 1.3294 1.3294 1.3477 1.3477 1.6109 1.6109 1.9920 1.9920 2.0070 2.0070 2.0587 2.0587 2.1465 2.1465 3.4487 3.4487 3.6353 3.6353 3.8232 3.8232 6.5558 6.5558 6.6950 6.6950 12.0778 12.0778 12.4683 12.4683 13.2667 13.2667 13.9198 13.9198 14.1376 14.1376 14.2378 14.2378 k = 0.3947 0.4710-0.0000 ( 6833 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3326 -23.3326 -23.3231 -23.3231 -18.1829 -18.1829 -17.7208 -17.7208 -17.6987 -17.6987 -17.5411 -17.5411 -17.5000 -17.5000 -17.4352 -17.4352 -7.0255 -7.0255 -6.9967 -6.9967 -6.7978 -6.7978 -6.7406 -6.7406 -6.7107 -6.7107 -6.6720 -6.6720 -2.4298 -2.4298 -2.3516 -2.3516 -1.4803 -1.4803 -1.2345 -1.2345 -1.0971 -1.0971 -0.9715 -0.9715 0.2359 0.2359 0.3399 0.3399 0.4224 0.4224 1.0922 1.0922 1.2000 1.2000 1.3350 1.3350 1.3513 1.3513 1.5881 1.5881 1.9988 1.9988 2.0070 2.0070 2.0600 2.0600 2.1374 2.1374 3.4527 3.4527 3.6371 3.6371 3.8215 3.8215 6.5629 6.5629 6.6856 6.6856 12.1136 12.1136 12.4814 12.4814 13.2304 13.2304 13.9408 13.9408 14.1430 14.1430 14.2431 14.2431 k = 0.3860 0.4862-0.0000 ( 6833 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3320 -23.3320 -23.3237 -23.3237 -18.1827 -18.1827 -17.7197 -17.7197 -17.7007 -17.7007 -17.5405 -17.5405 -17.5004 -17.5004 -17.4351 -17.4351 -7.0235 -7.0235 -6.9982 -6.9982 -6.7965 -6.7965 -6.7406 -6.7406 -6.7115 -6.7115 -6.6709 -6.6709 -2.4256 -2.4256 -2.3574 -2.3574 -1.4798 -1.4798 -1.2325 -1.2325 -1.0993 -1.0993 -0.9716 -0.9716 0.2429 0.2429 0.3402 0.3402 0.4210 0.4210 1.0983 1.0983 1.1926 1.1926 1.3378 1.3378 1.3590 1.3590 1.5650 1.5650 2.0051 2.0051 2.0078 2.0078 2.0613 2.0613 2.1278 2.1278 3.4563 3.4563 3.6389 3.6389 3.8199 3.8199 6.5703 6.5703 6.6759 6.6759 12.1515 12.1515 12.4921 12.4921 13.1937 13.1937 13.9592 13.9592 14.1494 14.1494 14.2471 14.2471 k = 0.3772 0.5014-0.0000 ( 6835 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3313 -23.3313 -23.3243 -23.3243 -18.1826 -18.1826 -17.7186 -17.7186 -17.7026 -17.7026 -17.5399 -17.5399 -17.5008 -17.5008 -17.4349 -17.4349 -7.0214 -7.0214 -6.9998 -6.9998 -6.7953 -6.7953 -6.7406 -6.7406 -6.7122 -6.7122 -6.6699 -6.6699 -2.4213 -2.4213 -2.3632 -2.3632 -1.4794 -1.4794 -1.2308 -1.2308 -1.1013 -1.1013 -0.9716 -0.9716 0.2489 0.2489 0.3408 0.3408 0.4197 0.4197 1.1047 1.1047 1.1848 1.1848 1.3391 1.3391 1.3694 1.3694 1.5421 1.5421 2.0064 2.0064 2.0136 2.0136 2.0627 2.0627 2.1181 2.1181 3.4594 3.4594 3.6406 3.6406 3.8184 3.8184 6.5780 6.5780 6.6661 6.6661 12.1912 12.1912 12.4991 12.4991 13.1576 13.1576 13.9747 13.9747 14.1573 14.1573 14.2491 14.2491 k = 0.3684 0.5166-0.0000 ( 6833 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3307 -23.3307 -23.3249 -23.3249 -18.1824 -18.1824 -17.7173 -17.7173 -17.7045 -17.7045 -17.5394 -17.5394 -17.5010 -17.5010 -17.4348 -17.4348 -7.0193 -7.0193 -7.0015 -7.0015 -6.7942 -6.7942 -6.7405 -6.7405 -6.7129 -6.7129 -6.6691 -6.6691 -2.4170 -2.4170 -2.3687 -2.3687 -1.4790 -1.4790 -1.2293 -1.2293 -1.1030 -1.1030 -0.9715 -0.9715 0.2540 0.2540 0.3416 0.3416 0.4185 0.4185 1.1115 1.1115 1.1768 1.1768 1.3400 1.3400 1.3812 1.3812 1.5196 1.5196 2.0065 2.0065 2.0208 2.0208 2.0641 2.0641 2.1083 2.1083 3.4620 3.4620 3.6421 3.6421 3.8172 3.8172 6.5860 6.5860 6.6563 6.6563 12.2326 12.2326 12.5005 12.5005 13.1241 13.1241 13.9870 13.9870 14.1665 14.1665 14.2488 14.2488 k = 0.3596 0.5318-0.0000 ( 6827 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3300 -23.3300 -23.3255 -23.3255 -18.1823 -18.1823 -17.7160 -17.7160 -17.7064 -17.7064 -17.5391 -17.5391 -17.5013 -17.5013 -17.4347 -17.4347 -7.0172 -7.0172 -7.0033 -7.0033 -6.7933 -6.7933 -6.7405 -6.7405 -6.7134 -6.7134 -6.6685 -6.6685 -2.4128 -2.4128 -2.3739 -2.3739 -1.4787 -1.4787 -1.2282 -1.2282 -1.1042 -1.1042 -0.9714 -0.9714 0.2578 0.2578 0.3425 0.3425 0.4176 0.4176 1.1186 1.1186 1.1687 1.1687 1.3409 1.3409 1.3939 1.3939 1.4981 1.4981 2.0065 2.0065 2.0279 2.0279 2.0654 2.0654 2.0989 2.0989 3.4640 3.4640 3.6434 3.6434 3.8163 3.8163 6.5942 6.5942 6.6466 6.6466 12.2754 12.2754 12.4940 12.4940 13.0951 13.0951 13.9961 13.9961 14.1771 14.1771 14.2458 14.2458 k = 0.3509 0.5470-0.0000 ( 6827 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3293 -23.3293 -23.3262 -23.3262 -18.1823 -18.1823 -17.7146 -17.7146 -17.7082 -17.7082 -17.5389 -17.5389 -17.5015 -17.5015 -17.4346 -17.4346 -7.0150 -7.0150 -7.0052 -7.0052 -6.7927 -6.7927 -6.7404 -6.7404 -6.7138 -6.7138 -6.6680 -6.6680 -2.4091 -2.4091 -2.3785 -2.3785 -1.4785 -1.4785 -1.2274 -1.2274 -1.1050 -1.1050 -0.9712 -0.9712 0.2604 0.2604 0.3434 0.3434 0.4169 0.4169 1.1256 1.1256 1.1607 1.1607 1.3419 1.3419 1.4070 1.4070 1.4782 1.4782 2.0065 2.0065 2.0345 2.0345 2.0661 2.0661 2.0907 2.0907 3.4654 3.4654 3.6444 3.6444 3.8156 3.8156 6.6024 6.6024 6.6372 6.6372 12.3194 12.3194 12.4776 12.4776 13.0729 13.0729 14.0022 14.0022 14.1892 14.1892 14.2396 14.2396 k = 0.3421 0.5622-0.0000 ( 6845 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3285 -23.3285 -23.3270 -23.3270 -18.1822 -18.1822 -17.7131 -17.7131 -17.7099 -17.7099 -17.5387 -17.5387 -17.5016 -17.5016 -17.4345 -17.4345 -7.0130 -7.0130 -7.0070 -7.0070 -6.7923 -6.7923 -6.7403 -6.7403 -6.7140 -6.7140 -6.6678 -6.6678 -2.4064 -2.4064 -2.3818 -2.3818 -1.4783 -1.4783 -1.2271 -1.2271 -1.1055 -1.1055 -0.9711 -0.9711 0.2618 0.2618 0.3440 0.3440 0.4165 0.4165 1.1323 1.1323 1.1535 1.1535 1.3427 1.3427 1.4195 1.4195 1.4612 1.4612 2.0065 2.0065 2.0400 2.0400 2.0655 2.0655 2.0851 2.0851 3.4662 3.4662 3.6450 3.6450 3.8152 3.8152 6.6105 6.6105 6.6283 6.6283 12.3641 12.3641 12.4497 12.4497 13.0593 13.0593 14.0055 14.0055 14.2025 14.2025 14.2300 14.2300 k = 0.3333 0.5774-0.0000 ( 6837 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3278 -23.3278 -23.3277 -23.3277 -18.1822 -18.1822 -17.7119 -17.7119 -17.7111 -17.7111 -17.5387 -17.5387 -17.5016 -17.5016 -17.4345 -17.4345 -7.0120 -7.0120 -7.0080 -7.0080 -6.7921 -6.7921 -6.7403 -6.7403 -6.7141 -6.7141 -6.6677 -6.6677 -2.4053 -2.4053 -2.3831 -2.3831 -1.4783 -1.4783 -1.2269 -1.2269 -1.1057 -1.1057 -0.9711 -0.9711 0.2623 0.2623 0.3443 0.3443 0.4164 0.4164 1.1359 1.1359 1.1497 1.1497 1.3431 1.3431 1.4263 1.4263 1.4528 1.4528 2.0065 2.0065 2.0425 2.0425 2.0646 2.0646 2.0833 2.0833 3.4665 3.4665 3.6453 3.6453 3.8151 3.8151 6.6168 6.6168 6.6218 6.6218 12.4070 12.4070 12.4124 12.4124 13.0548 13.0548 14.0065 14.0065 14.2169 14.2169 14.2169 14.2169 k = 0.3333 0.5774-0.0000 ( 6837 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3278 -23.3278 -23.3277 -23.3277 -18.1822 -18.1822 -17.7119 -17.7119 -17.7111 -17.7111 -17.5387 -17.5387 -17.5016 -17.5016 -17.4345 -17.4345 -7.0120 -7.0120 -7.0080 -7.0080 -6.7921 -6.7921 -6.7403 -6.7403 -6.7141 -6.7141 -6.6677 -6.6677 -2.4053 -2.4053 -2.3831 -2.3831 -1.4783 -1.4783 -1.2269 -1.2269 -1.1057 -1.1057 -0.9711 -0.9711 0.2623 0.2623 0.3443 0.3443 0.4164 0.4164 1.1359 1.1359 1.1497 1.1497 1.3431 1.3431 1.4263 1.4263 1.4528 1.4528 2.0065 2.0065 2.0425 2.0425 2.0646 2.0646 2.0833 2.0833 3.4665 3.4665 3.6453 3.6453 3.8151 3.8151 6.6168 6.6168 6.6218 6.6218 12.4070 12.4070 12.4124 12.4124 13.0548 13.0548 14.0065 14.0065 14.2169 14.2169 14.2169 14.2169 k = 0.3243 0.5617-0.0000 ( 6849 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3286 -23.3286 -23.3269 -23.3269 -18.1822 -18.1822 -17.7131 -17.7131 -17.7099 -17.7099 -17.5387 -17.5387 -17.5016 -17.5016 -17.4345 -17.4345 -7.0132 -7.0132 -7.0069 -7.0069 -6.7923 -6.7923 -6.7403 -6.7403 -6.7140 -6.7140 -6.6678 -6.6678 -2.4064 -2.4064 -2.3819 -2.3819 -1.4783 -1.4783 -1.2271 -1.2271 -1.1055 -1.1055 -0.9712 -0.9712 0.2618 0.2618 0.3440 0.3440 0.4165 0.4165 1.1322 1.1322 1.1536 1.1536 1.3424 1.3424 1.4203 1.4203 1.4607 1.4607 2.0065 2.0065 2.0396 2.0396 2.0664 2.0664 2.0846 2.0846 3.4662 3.4662 3.6450 3.6450 3.8152 3.8152 6.6106 6.6106 6.6282 6.6282 12.3570 12.3570 12.4569 12.4569 13.0592 13.0592 14.0056 14.0056 14.1999 14.1999 14.2324 14.2324 k = 0.3153 0.5461-0.0000 ( 6841 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3294 -23.3294 -23.3261 -23.3261 -18.1823 -18.1823 -17.7145 -17.7145 -17.7082 -17.7082 -17.5388 -17.5388 -17.5015 -17.5015 -17.4346 -17.4346 -7.0154 -7.0154 -7.0048 -7.0048 -6.7927 -6.7927 -6.7405 -6.7405 -6.7137 -6.7137 -6.6680 -6.6680 -2.4088 -2.4088 -2.3788 -2.3788 -1.4785 -1.4785 -1.2273 -1.2273 -1.1052 -1.1052 -0.9715 -0.9715 0.2607 0.2607 0.3430 0.3430 0.4166 0.4166 1.1255 1.1255 1.1609 1.1609 1.3403 1.3403 1.4121 1.4121 1.4753 1.4753 2.0065 2.0065 2.0330 2.0330 2.0709 2.0709 2.0877 2.0877 3.4654 3.4654 3.6443 3.6443 3.8155 3.8155 6.6032 6.6032 6.6365 6.6365 12.2943 12.2943 12.5041 12.5041 13.0713 13.0713 14.0032 14.0032 14.1794 14.1794 14.2474 14.2474 k = 0.3063 0.5305-0.0000 ( 6833 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3303 -23.3303 -23.3252 -23.3252 -18.1824 -18.1824 -17.7157 -17.7157 -17.7066 -17.7066 -17.5390 -17.5390 -17.5013 -17.5013 -17.4348 -17.4348 -7.0181 -7.0181 -7.0025 -7.0025 -6.7935 -6.7935 -6.7409 -6.7409 -6.7133 -6.7133 -6.6685 -6.6685 -2.4117 -2.4117 -2.3747 -2.3747 -1.4788 -1.4788 -1.2277 -1.2277 -1.1047 -1.1047 -0.9720 -0.9720 0.2590 0.2590 0.3414 0.3414 0.4167 0.4167 1.1187 1.1187 1.1688 1.1688 1.3364 1.3364 1.4069 1.4069 1.4915 1.4915 2.0064 2.0064 2.0253 2.0253 2.0761 2.0761 2.0920 2.0920 3.4641 3.4641 3.6432 3.6432 3.8159 3.8159 6.5964 6.5964 6.6448 6.6448 12.2234 12.2234 12.5512 12.5512 13.0895 13.0895 13.9998 13.9998 14.1557 14.1557 14.2590 14.2590 k = 0.2973 0.5149-0.0000 ( 6833 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3312 -23.3312 -23.3244 -23.3244 -18.1825 -18.1825 -17.7168 -17.7168 -17.7049 -17.7049 -17.5391 -17.5391 -17.5010 -17.5010 -17.4350 -17.4350 -7.0209 -7.0209 -7.0002 -7.0002 -6.7946 -6.7946 -6.7416 -6.7416 -6.7126 -6.7126 -6.6690 -6.6690 -2.4145 -2.4145 -2.3703 -2.3703 -1.4793 -1.4793 -1.2281 -1.2281 -1.1042 -1.1042 -0.9730 -0.9730 0.2569 0.2569 0.3391 0.3391 0.4164 0.4164 1.1122 1.1122 1.1767 1.1767 1.3310 1.3310 1.4054 1.4054 1.5083 1.5083 2.0061 2.0061 2.0180 2.0180 2.0812 2.0812 2.0972 2.0972 3.4624 3.4624 3.6418 3.6418 3.8164 3.8164 6.5904 6.5904 6.6530 6.6530 12.1462 12.1462 12.5979 12.5979 13.1124 13.1124 13.9956 13.9956 14.1293 14.1293 14.2636 14.2636 k = 0.2883 0.4993-0.0000 ( 6831 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3321 -23.3321 -23.3235 -23.3235 -18.1827 -18.1827 -17.7178 -17.7178 -17.7032 -17.7032 -17.5393 -17.5393 -17.5007 -17.5007 -17.4354 -17.4354 -7.0239 -7.0239 -6.9979 -6.9979 -6.7959 -6.7959 -6.7425 -6.7425 -6.7118 -6.7118 -6.6697 -6.6697 -2.4170 -2.4170 -2.3657 -2.3657 -1.4799 -1.4799 -1.2284 -1.2284 -1.1036 -1.1036 -0.9744 -0.9744 0.2545 0.2545 0.3364 0.3364 0.4156 0.4156 1.1063 1.1063 1.1844 1.1844 1.3253 1.3253 1.4070 1.4070 1.5254 1.5254 2.0048 2.0048 2.0122 2.0122 2.0860 2.0860 2.1031 2.1031 3.4603 3.4603 3.6399 3.6399 3.8168 3.8168 6.5854 6.5854 6.6609 6.6609 12.0640 12.0640 12.6439 12.6439 13.1385 13.1385 13.9910 13.9910 14.1006 14.1006 14.2623 14.2623 k = 0.2793 0.4837-0.0000 ( 6829 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3331 -23.3331 -23.3226 -23.3226 -18.1829 -18.1829 -17.7185 -17.7185 -17.7016 -17.7016 -17.5394 -17.5394 -17.5003 -17.5003 -17.4358 -17.4358 -7.0270 -7.0270 -6.9955 -6.9955 -6.7975 -6.7975 -6.7438 -6.7438 -6.7109 -6.7109 -6.6704 -6.6704 -2.4190 -2.4190 -2.3612 -2.3612 -1.4807 -1.4807 -1.2287 -1.2287 -1.1031 -1.1031 -0.9764 -0.9764 0.2518 0.2518 0.3331 0.3331 0.4143 0.4143 1.1011 1.1011 1.1916 1.1916 1.3202 1.3202 1.4110 1.4110 1.5426 1.5426 2.0010 2.0010 2.0100 2.0100 2.0907 2.0907 2.1094 2.1094 3.4578 3.4578 3.6378 3.6378 3.8171 3.8171 6.5814 6.5814 6.6686 6.6686 11.9783 11.9783 12.6892 12.6892 13.1671 13.1671 13.9861 13.9861 14.0701 14.0701 14.2582 14.2582 k = 0.2703 0.4681-0.0000 ( 6837 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3341 -23.3341 -23.3218 -23.3218 -18.1832 -18.1832 -17.7191 -17.7191 -17.7000 -17.7000 -17.5395 -17.5395 -17.4999 -17.4999 -17.4363 -17.4363 -7.0303 -7.0303 -6.9933 -6.9933 -6.7993 -6.7993 -6.7456 -6.7456 -6.7099 -6.7099 -6.6712 -6.6712 -2.4205 -2.4205 -2.3566 -2.3566 -1.4817 -1.4817 -1.2287 -1.2287 -1.1027 -1.1027 -0.9790 -0.9790 0.2490 0.2490 0.3295 0.3295 0.4124 0.4124 1.0966 1.0966 1.1982 1.1982 1.3164 1.3164 1.4165 1.4165 1.5597 1.5597 1.9963 1.9963 2.0097 2.0097 2.0954 2.0954 2.1158 2.1158 3.4549 3.4549 3.6355 3.6355 3.8172 3.8172 6.5782 6.5782 6.6759 6.6759 11.8900 11.8900 12.7333 12.7333 13.1973 13.1973 13.9811 13.9811 14.0383 14.0383 14.2525 14.2525 k = 0.2613 0.4525-0.0000 ( 6833 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3351 -23.3351 -23.3209 -23.3209 -18.1835 -18.1835 -17.7195 -17.7195 -17.6984 -17.6984 -17.5395 -17.5395 -17.4994 -17.4994 -17.4370 -17.4370 -7.0337 -7.0337 -6.9910 -6.9910 -6.8012 -6.8012 -6.7477 -6.7477 -6.7088 -6.7088 -6.6719 -6.6719 -2.4213 -2.4213 -2.3522 -2.3522 -1.4830 -1.4830 -1.2285 -1.2285 -1.1023 -1.1023 -0.9823 -0.9823 0.2459 0.2459 0.3257 0.3257 0.4098 0.4098 1.0929 1.0929 1.2042 1.2042 1.3145 1.3145 1.4233 1.4233 1.5768 1.5768 1.9922 1.9922 2.0102 2.0102 2.1001 2.1001 2.1223 2.1223 3.4518 3.4518 3.6331 3.6331 3.8171 3.8171 6.5762 6.5762 6.6830 6.6830 11.7998 11.7998 12.7762 12.7762 13.2285 13.2285 13.9761 13.9761 14.0055 14.0055 14.2456 14.2456 k = 0.2523 0.4369-0.0000 ( 6837 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3361 -23.3361 -23.3200 -23.3200 -18.1838 -18.1838 -17.7197 -17.7197 -17.6969 -17.6969 -17.5394 -17.5394 -17.4988 -17.4988 -17.4378 -17.4378 -7.0372 -7.0372 -6.9888 -6.9888 -6.8034 -6.8034 -6.7503 -6.7503 -6.7078 -6.7078 -6.6726 -6.6726 -2.4216 -2.4216 -2.3479 -2.3479 -1.4844 -1.4844 -1.2281 -1.2281 -1.1020 -1.1020 -0.9862 -0.9862 0.2427 0.2427 0.3216 0.3216 0.4065 0.4065 1.0900 1.0900 1.2093 1.2093 1.3146 1.3146 1.4312 1.4312 1.5936 1.5936 1.9891 1.9891 2.0112 2.0112 2.1049 2.1049 2.1287 2.1287 3.4483 3.4483 3.6305 3.6305 3.8166 3.8166 6.5753 6.5753 6.6896 6.6896 11.7086 11.7086 12.8175 12.8175 13.2602 13.2602 13.9712 13.9712 13.9724 13.9724 14.2377 14.2377 k = 0.2432 0.4213-0.0000 ( 6833 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3371 -23.3371 -23.3191 -23.3191 -18.1842 -18.1842 -17.7198 -17.7198 -17.6956 -17.6956 -17.5393 -17.5393 -17.4982 -17.4982 -17.4387 -17.4387 -7.0408 -7.0408 -6.9866 -6.9866 -6.8057 -6.8057 -6.7533 -6.7533 -6.7067 -6.7067 -6.6732 -6.6732 -2.4211 -2.4211 -2.3437 -2.3437 -1.4861 -1.4861 -1.2274 -1.2274 -1.1018 -1.1018 -0.9909 -0.9909 0.2391 0.2391 0.3175 0.3175 0.4027 0.4027 1.0880 1.0880 1.2136 1.2136 1.3169 1.3169 1.4399 1.4399 1.6100 1.6100 1.9870 1.9870 2.0127 2.0127 2.1100 2.1100 2.1349 2.1349 3.4447 3.4447 3.6278 3.6278 3.8158 3.8158 6.5754 6.5754 6.6959 6.6959 11.6168 11.6168 12.8573 12.8573 13.2921 13.2921 13.9391 13.9391 13.9665 13.9665 14.2290 14.2290 k = 0.2342 0.4057-0.0000 ( 6829 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3382 -23.3382 -23.3183 -23.3183 -18.1846 -18.1846 -17.7196 -17.7196 -17.6943 -17.6943 -17.5390 -17.5390 -17.4976 -17.4976 -17.4397 -17.4397 -7.0446 -7.0446 -6.9845 -6.9845 -6.8082 -6.8082 -6.7568 -6.7568 -6.7057 -6.7057 -6.6737 -6.6737 -2.4199 -2.4199 -2.3396 -2.3396 -1.4881 -1.4881 -1.2264 -1.2264 -1.1017 -1.1017 -0.9962 -0.9962 0.2352 0.2352 0.3133 0.3133 0.3983 0.3983 1.0868 1.0868 1.2169 1.2169 1.3215 1.3215 1.4494 1.4494 1.6261 1.6261 1.9859 1.9859 2.0148 2.0148 2.1152 2.1152 2.1410 2.1410 3.4408 3.4408 3.6251 3.6251 3.8145 3.8145 6.5765 6.5765 6.7018 6.7018 11.5249 11.5249 12.8953 12.8953 13.3239 13.3239 13.9061 13.9061 13.9621 13.9621 14.2195 14.2195 k = 0.2252 0.3901-0.0000 ( 6833 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3392 -23.3392 -23.3174 -23.3174 -18.1850 -18.1850 -17.7193 -17.7193 -17.6931 -17.6931 -17.5386 -17.5386 -17.4969 -17.4969 -17.4408 -17.4408 -7.0484 -7.0484 -6.9825 -6.9825 -6.8107 -6.8107 -6.7607 -6.7607 -6.7046 -6.7046 -6.6741 -6.6741 -2.4181 -2.4181 -2.3358 -2.3358 -1.4904 -1.4904 -1.2251 -1.2251 -1.1018 -1.1018 -1.0020 -1.0020 0.2307 0.2307 0.3092 0.3092 0.3935 0.3935 1.0864 1.0864 1.2193 1.2193 1.3283 1.3283 1.4596 1.4596 1.6416 1.6416 1.9855 1.9855 2.0177 2.0177 2.1205 2.1205 2.1468 2.1468 3.4367 3.4367 3.6224 3.6224 3.8129 3.8129 6.5787 6.5787 6.7073 6.7073 11.4334 11.4334 12.9314 12.9314 13.3552 13.3552 13.8737 13.8737 13.9579 13.9579 14.2095 14.2095 k = 0.2162 0.3745-0.0000 ( 6827 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3402 -23.3402 -23.3166 -23.3166 -18.1855 -18.1855 -17.7188 -17.7188 -17.6920 -17.6920 -17.5380 -17.5380 -17.4961 -17.4961 -17.4420 -17.4420 -7.0523 -7.0523 -6.9805 -6.9805 -6.8134 -6.8134 -6.7650 -6.7650 -6.7036 -6.7036 -6.6745 -6.6745 -2.4156 -2.4156 -2.3321 -2.3321 -1.4930 -1.4930 -1.2236 -1.2236 -1.1019 -1.1019 -1.0084 -1.0084 0.2255 0.2255 0.3054 0.3054 0.3885 0.3885 1.0868 1.0868 1.2207 1.2207 1.3373 1.3373 1.4706 1.4706 1.6567 1.6567 1.9857 1.9857 2.0216 2.0216 2.1261 2.1261 2.1523 2.1523 3.4324 3.4324 3.6197 3.6197 3.8108 3.8108 6.5820 6.5820 6.7123 6.7123 11.3426 11.3426 12.9654 12.9654 13.3858 13.3858 13.8423 13.8423 13.9540 13.9540 14.1990 14.1990 k = 0.2072 0.3589-0.0000 ( 6829 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3413 -23.3413 -23.3158 -23.3158 -18.1860 -18.1860 -17.7181 -17.7181 -17.6911 -17.6911 -17.5374 -17.5374 -17.4953 -17.4953 -17.4434 -17.4434 -7.0563 -7.0563 -6.9786 -6.9786 -6.8161 -6.8161 -6.7697 -6.7697 -6.7026 -6.7026 -6.6748 -6.6748 -2.4126 -2.4126 -2.3287 -2.3287 -1.4960 -1.4960 -1.2217 -1.2217 -1.1022 -1.1022 -1.0151 -1.0151 0.2194 0.2194 0.3018 0.3018 0.3832 0.3832 1.0879 1.0879 1.2212 1.2212 1.3484 1.3484 1.4822 1.4822 1.6711 1.6711 1.9861 1.9861 2.0266 2.0266 2.1317 2.1317 2.1577 2.1577 3.4279 3.4279 3.6170 3.6170 3.8083 3.8083 6.5862 6.5862 6.7169 6.7169 11.2530 11.2530 12.9973 12.9973 13.4156 13.4156 13.8120 13.8120 13.9504 13.9504 14.1881 14.1881 k = 0.1982 0.3433-0.0000 ( 6823 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3423 -23.3423 -23.3150 -23.3150 -18.1865 -18.1865 -17.7173 -17.7173 -17.6903 -17.6903 -17.5366 -17.5366 -17.4945 -17.4945 -17.4449 -17.4449 -7.0603 -7.0603 -6.9767 -6.9767 -6.8189 -6.8189 -6.7747 -6.7747 -6.7017 -6.7017 -6.6751 -6.6751 -2.4089 -2.4089 -2.3254 -2.3254 -1.4993 -1.4993 -1.2197 -1.2197 -1.1026 -1.1026 -1.0221 -1.0221 0.2123 0.2123 0.2985 0.2985 0.3781 0.3781 1.0898 1.0898 1.2209 1.2209 1.3614 1.3614 1.4944 1.4944 1.6849 1.6849 1.9866 1.9866 2.0328 2.0328 2.1375 2.1375 2.1628 2.1628 3.4233 3.4233 3.6145 3.6145 3.8055 3.8055 6.5914 6.5914 6.7211 6.7211 11.1647 11.1647 13.0270 13.0270 13.4442 13.4442 13.7832 13.7832 13.9472 13.9472 14.1770 14.1770 k = 0.1892 0.3277-0.0000 ( 6817 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3433 -23.3433 -23.3142 -23.3142 -18.1870 -18.1870 -17.7163 -17.7163 -17.6896 -17.6896 -17.5358 -17.5358 -17.4936 -17.4936 -17.4464 -17.4464 -7.0644 -7.0644 -6.9749 -6.9749 -6.8218 -6.8218 -6.7800 -6.7800 -6.7007 -6.7007 -6.6754 -6.6754 -2.4046 -2.4046 -2.3223 -2.3223 -1.5029 -1.5029 -1.2174 -1.2174 -1.1031 -1.1031 -1.0291 -1.0291 0.2041 0.2041 0.2957 0.2957 0.3730 0.3730 1.0923 1.0923 1.2199 1.2199 1.3761 1.3761 1.5074 1.5074 1.6981 1.6981 1.9870 1.9870 2.0401 2.0401 2.1434 2.1434 2.1677 2.1677 3.4185 3.4185 3.6120 3.6120 3.8022 3.8022 6.5974 6.5974 6.7249 6.7249 11.0781 11.0781 13.0544 13.0544 13.4715 13.4715 13.7560 13.7560 13.9445 13.9445 14.1659 14.1659 k = 0.1802 0.3121-0.0000 ( 6815 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3443 -23.3443 -23.3134 -23.3134 -18.1876 -18.1876 -17.7151 -17.7151 -17.6890 -17.6890 -17.5349 -17.5349 -17.4927 -17.4927 -17.4480 -17.4480 -7.0685 -7.0685 -6.9732 -6.9732 -6.8247 -6.8247 -6.7855 -6.7855 -6.6998 -6.6998 -6.6757 -6.6757 -2.3998 -2.3998 -2.3195 -2.3195 -1.5070 -1.5070 -1.2149 -1.2149 -1.1040 -1.1040 -1.0360 -1.0360 0.1947 0.1947 0.2933 0.2933 0.3681 0.3681 1.0954 1.0954 1.2182 1.2182 1.3922 1.3922 1.5211 1.5211 1.7106 1.7106 1.9874 1.9874 2.0485 2.0485 2.1494 2.1494 2.1724 2.1724 3.4136 3.4136 3.6096 3.6096 3.7986 3.7986 6.6042 6.6042 6.7283 6.7283 10.9935 10.9935 13.0795 13.0795 13.4973 13.4973 13.7307 13.7307 13.9422 13.9422 14.1550 14.1550 k = 0.1712 0.2965-0.0000 ( 6813 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3453 -23.3453 -23.3127 -23.3127 -18.1881 -18.1881 -17.7138 -17.7138 -17.6885 -17.6885 -17.5339 -17.5339 -17.4917 -17.4917 -17.4498 -17.4498 -7.0726 -7.0726 -6.9715 -6.9715 -6.8277 -6.8277 -6.7910 -6.7910 -6.6988 -6.6988 -6.6760 -6.6760 -2.3946 -2.3946 -2.3168 -2.3168 -1.5113 -1.5113 -1.2123 -1.2123 -1.1051 -1.1051 -1.0426 -1.0426 0.1842 0.1842 0.2913 0.2913 0.3636 0.3636 1.0989 1.0989 1.2159 1.2159 1.4093 1.4093 1.5356 1.5356 1.7225 1.7225 1.9876 1.9876 2.0578 2.0578 2.1553 2.1553 2.1769 2.1769 3.4086 3.4086 3.6072 3.6072 3.7946 3.7946 6.6116 6.6116 6.7312 6.7312 10.9112 10.9112 13.1021 13.1021 13.5214 13.5214 13.7075 13.7075 13.9405 13.9405 14.1443 14.1443 k = 0.1622 0.2809-0.0000 ( 6809 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3463 -23.3463 -23.3120 -23.3120 -18.1887 -18.1887 -17.7124 -17.7124 -17.6881 -17.6881 -17.5329 -17.5329 -17.4907 -17.4907 -17.4515 -17.4515 -7.0767 -7.0767 -6.9699 -6.9699 -6.8308 -6.8308 -6.7966 -6.7966 -6.6978 -6.6978 -6.6764 -6.6764 -2.3890 -2.3890 -2.3144 -2.3144 -1.5159 -1.5159 -1.2096 -1.2096 -1.1065 -1.1065 -1.0487 -1.0487 0.1727 0.1727 0.2896 0.2896 0.3595 0.3595 1.1030 1.1030 1.2132 1.2132 1.4273 1.4273 1.5508 1.5508 1.7337 1.7337 1.9877 1.9877 2.0678 2.0678 2.1611 2.1611 2.1812 2.1812 3.4034 3.4034 3.6049 3.6049 3.7904 3.7904 6.6197 6.6197 6.7338 6.7338 10.8314 10.8314 13.1222 13.1222 13.5435 13.5435 13.6867 13.6867 13.9395 13.9395 14.1341 14.1341 k = 0.1532 0.2653-0.0000 ( 6805 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3472 -23.3472 -23.3113 -23.3113 -18.1892 -18.1892 -17.7109 -17.7109 -17.6878 -17.6878 -17.5319 -17.5319 -17.4897 -17.4897 -17.4533 -17.4533 -7.0807 -7.0807 -6.9683 -6.9683 -6.8340 -6.8340 -6.8022 -6.8022 -6.6969 -6.6969 -6.6768 -6.6768 -2.3831 -2.3831 -2.3121 -2.3121 -1.5209 -1.5209 -1.2068 -1.2068 -1.1084 -1.1084 -1.0541 -1.0541 0.1603 0.1603 0.2882 0.2882 0.3557 0.3557 1.1074 1.1074 1.2101 1.2101 1.4456 1.4456 1.5670 1.5670 1.7443 1.7443 1.9877 1.9877 2.0782 2.0782 2.1668 2.1668 2.1855 2.1855 3.3982 3.3982 3.6027 3.6027 3.7860 3.7860 6.6283 6.6283 6.7359 6.7359 10.7543 10.7543 13.1398 13.1398 13.5634 13.5634 13.6682 13.6682 13.9393 13.9393 14.1246 14.1246 k = 0.1441 0.2497-0.0000 ( 6803 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3482 -23.3482 -23.3107 -23.3107 -18.1898 -18.1898 -17.7093 -17.7093 -17.6876 -17.6876 -17.5309 -17.5309 -17.4886 -17.4886 -17.4552 -17.4552 -7.0847 -7.0847 -6.9668 -6.9668 -6.8372 -6.8372 -6.8076 -6.8076 -6.6959 -6.6959 -6.6773 -6.6773 -2.3769 -2.3769 -2.3101 -2.3101 -1.5261 -1.5261 -1.2040 -1.2040 -1.1108 -1.1108 -1.0587 -1.0587 0.1472 0.1472 0.2870 0.2870 0.3524 0.3524 1.1121 1.1121 1.2068 1.2068 1.4639 1.4639 1.5841 1.5841 1.7543 1.7543 1.9876 1.9876 2.0889 2.0889 2.1722 2.1722 2.1898 2.1898 3.3929 3.3929 3.6004 3.6004 3.7814 3.7814 6.6373 6.6373 6.7378 6.7378 10.6801 10.6801 13.1549 13.1549 13.5810 13.5810 13.6522 13.6522 13.9400 13.9400 14.1159 14.1159 k = 0.1351 0.2341-0.0000 ( 6803 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3490 -23.3490 -23.3101 -23.3101 -18.1904 -18.1904 -17.7076 -17.7076 -17.6875 -17.6875 -17.5300 -17.5300 -17.4875 -17.4875 -17.4570 -17.4570 -7.0887 -7.0887 -6.9653 -6.9653 -6.8406 -6.8406 -6.8128 -6.8128 -6.6950 -6.6950 -6.6778 -6.6778 -2.3705 -2.3705 -2.3082 -2.3082 -1.5315 -1.5315 -1.2012 -1.2012 -1.1137 -1.1137 -1.0623 -1.0623 0.1335 0.1335 0.2860 0.2860 0.3495 0.3495 1.1170 1.1170 1.2034 1.2034 1.4818 1.4818 1.6021 1.6021 1.7636 1.7636 1.9874 1.9874 2.0997 2.0997 2.1771 2.1771 2.1943 2.1943 3.3875 3.3875 3.5982 3.5982 3.7768 3.7768 6.6466 6.6466 6.7392 6.7392 10.6092 10.6092 13.1676 13.1676 13.5960 13.5960 13.6388 13.6388 13.9418 13.9418 14.1081 14.1081 k = 0.1261 0.2185-0.0000 ( 6805 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3499 -23.3499 -23.3095 -23.3095 -18.1909 -18.1909 -17.7058 -17.7058 -17.6874 -17.6874 -17.5291 -17.5291 -17.4864 -17.4864 -17.4588 -17.4588 -7.0925 -7.0925 -6.9639 -6.9639 -6.8441 -6.8441 -6.8176 -6.8176 -6.6940 -6.6940 -6.6784 -6.6784 -2.3641 -2.3641 -2.3065 -2.3065 -1.5370 -1.5370 -1.1985 -1.1985 -1.1169 -1.1169 -1.0650 -1.0650 0.1195 0.1195 0.2850 0.2850 0.3469 0.3469 1.1220 1.1220 1.1999 1.1999 1.4990 1.4990 1.6210 1.6210 1.7724 1.7724 1.9872 1.9872 2.1104 2.1104 2.1817 2.1817 2.1988 2.1988 3.3820 3.3820 3.5960 3.5960 3.7721 3.7721 6.6560 6.6560 6.7404 6.7404 10.5417 10.5417 13.1780 13.1780 13.6083 13.6083 13.6280 13.6280 13.9448 13.9448 14.1014 14.1014 k = 0.1171 0.2029-0.0000 ( 6803 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3507 -23.3507 -23.3089 -23.3089 -18.1914 -18.1914 -17.7040 -17.7040 -17.6874 -17.6874 -17.5282 -17.5282 -17.4853 -17.4853 -17.4606 -17.4606 -7.0962 -7.0962 -6.9626 -6.9626 -6.8478 -6.8478 -6.8221 -6.8221 -6.6931 -6.6931 -6.6790 -6.6790 -2.3577 -2.3577 -2.3050 -2.3050 -1.5426 -1.5426 -1.1958 -1.1958 -1.1204 -1.1204 -1.0669 -1.0669 0.1054 0.1054 0.2842 0.2842 0.3448 0.3448 1.1271 1.1271 1.1964 1.1964 1.5154 1.5154 1.6407 1.6407 1.7805 1.7805 1.9870 1.9870 2.1208 2.1208 2.1856 2.1856 2.2036 2.2036 3.3766 3.3766 3.5938 3.5938 3.7675 3.7675 6.6655 6.6655 6.7414 6.7414 10.4778 10.4778 13.1861 13.1861 13.6176 13.6176 13.6199 13.6199 13.9488 13.9488 14.0958 14.0958 k = 0.1081 0.1872-0.0000 ( 6795 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3514 -23.3514 -23.3084 -23.3084 -18.1919 -18.1919 -17.7022 -17.7022 -17.6875 -17.6875 -17.5274 -17.5274 -17.4843 -17.4843 -17.4623 -17.4623 -7.0998 -7.0998 -6.9613 -6.9613 -6.8515 -6.8515 -6.8262 -6.8262 -6.6923 -6.6923 -6.6796 -6.6796 -2.3513 -2.3513 -2.3036 -2.3036 -1.5482 -1.5482 -1.1932 -1.1932 -1.1241 -1.1241 -1.0681 -1.0681 0.0914 0.0914 0.2834 0.2834 0.3430 0.3430 1.1322 1.1322 1.1930 1.1930 1.5306 1.5306 1.6608 1.6608 1.7881 1.7881 1.9868 1.9868 2.1307 2.1307 2.1892 2.1892 2.2085 2.2085 3.3712 3.3712 3.5916 3.5916 3.7631 3.7631 6.6749 6.6749 6.7420 6.7420 10.4178 10.4178 13.1923 13.1923 13.6135 13.6135 13.6250 13.6250 13.9539 13.9539 14.0914 14.0914 k = 0.0991 0.1716-0.0000 ( 6803 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3521 -23.3521 -23.3079 -23.3079 -18.1924 -18.1924 -17.7004 -17.7004 -17.6875 -17.6875 -17.5268 -17.5268 -17.4832 -17.4832 -17.4640 -17.4640 -7.1032 -7.1032 -6.9600 -6.9600 -6.8554 -6.8554 -6.8298 -6.8298 -6.6914 -6.6914 -6.6803 -6.6803 -2.3452 -2.3452 -2.3023 -2.3023 -1.5538 -1.5538 -1.1908 -1.1908 -1.1277 -1.1277 -1.0688 -1.0688 0.0776 0.0776 0.2826 0.2826 0.3415 0.3415 1.1372 1.1372 1.1897 1.1897 1.5447 1.5447 1.6811 1.6811 1.7951 1.7951 1.9865 1.9865 2.1401 2.1401 2.1923 2.1923 2.2135 2.2135 3.3658 3.3658 3.5894 3.5894 3.7588 3.7588 6.6841 6.6841 6.7425 6.7425 10.3617 10.3617 13.1967 13.1967 13.6096 13.6096 13.6297 13.6297 13.9598 13.9598 14.0881 14.0881 k = 0.0901 0.1560-0.0000 ( 6801 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3528 -23.3528 -23.3075 -23.3075 -18.1929 -18.1929 -17.6987 -17.6987 -17.6876 -17.6876 -17.5262 -17.5262 -17.4822 -17.4822 -17.4656 -17.4656 -7.1064 -7.1064 -6.9588 -6.9588 -6.8593 -6.8593 -6.8330 -6.8330 -6.6906 -6.6906 -6.6809 -6.6809 -2.3393 -2.3393 -2.3010 -2.3010 -1.5591 -1.5591 -1.1886 -1.1886 -1.1311 -1.1311 -1.0690 -1.0690 0.0644 0.0644 0.2819 0.2819 0.3402 0.3402 1.1419 1.1419 1.1867 1.1867 1.5575 1.5575 1.7011 1.7011 1.8017 1.8017 1.9863 1.9863 2.1487 2.1487 2.1951 2.1951 2.2184 2.2184 3.3606 3.3606 3.5872 3.5872 3.7549 3.7549 6.6930 6.6930 6.7428 6.7428 10.3099 10.3099 13.1996 13.1996 13.6074 13.6074 13.6323 13.6323 13.9661 13.9661 14.0851 14.0851 k = 0.0811 0.1404-0.0000 ( 6791 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3534 -23.3534 -23.3071 -23.3071 -18.1933 -18.1933 -17.6970 -17.6970 -17.6877 -17.6877 -17.5258 -17.5258 -17.4812 -17.4812 -17.4670 -17.4670 -7.1094 -7.1094 -6.9577 -6.9577 -6.8631 -6.8631 -6.8358 -6.8358 -6.6899 -6.6899 -6.6815 -6.6815 -2.3337 -2.3337 -2.2998 -2.2998 -1.5643 -1.5643 -1.1866 -1.1866 -1.1343 -1.1343 -1.0690 -1.0690 0.0517 0.0517 0.2812 0.2812 0.3392 0.3392 1.1464 1.1464 1.1839 1.1839 1.5692 1.5692 1.7204 1.7204 1.8078 1.8078 1.9861 1.9861 2.1565 2.1565 2.1977 2.1977 2.2232 2.2232 3.3556 3.3556 3.5850 3.5850 3.7512 3.7512 6.7014 6.7014 6.7429 6.7429 10.2624 10.2624 13.2014 13.2014 13.6067 13.6067 13.6331 13.6331 13.9726 13.9726 14.0736 14.0736 k = 0.0721 0.1248-0.0000 ( 6801 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3540 -23.3540 -23.3068 -23.3068 -18.1937 -18.1937 -17.6953 -17.6953 -17.6878 -17.6878 -17.5254 -17.5254 -17.4803 -17.4803 -17.4683 -17.4683 -7.1122 -7.1122 -6.9566 -6.9566 -6.8667 -6.8667 -6.8383 -6.8383 -6.6892 -6.6892 -6.6822 -6.6822 -2.3288 -2.3288 -2.2987 -2.2987 -1.5691 -1.5691 -1.1848 -1.1848 -1.1372 -1.1372 -1.0687 -1.0687 0.0399 0.0399 0.2805 0.2805 0.3384 0.3384 1.1505 1.1505 1.1814 1.1814 1.5796 1.5796 1.7386 1.7386 1.8136 1.8136 1.9860 1.9860 2.1634 2.1634 2.2002 2.2002 2.2277 2.2277 3.3508 3.3508 3.5829 3.5829 3.7478 3.7478 6.7093 6.7093 6.7430 6.7430 10.2195 10.2195 13.2022 13.2022 13.6072 13.6072 13.6327 13.6327 13.9788 13.9788 14.0581 14.0581 k = 0.0631 0.1092-0.0000 ( 6807 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3544 -23.3544 -23.3064 -23.3064 -18.1940 -18.1940 -17.6938 -17.6938 -17.6879 -17.6879 -17.5252 -17.5252 -17.4794 -17.4794 -17.4695 -17.4695 -7.1147 -7.1147 -6.9556 -6.9556 -6.8702 -6.8702 -6.8403 -6.8403 -6.6885 -6.6885 -6.6827 -6.6827 -2.3244 -2.3244 -2.2975 -2.2975 -1.5736 -1.5736 -1.1832 -1.1832 -1.1397 -1.1397 -1.0683 -1.0683 0.0291 0.0291 0.2800 0.2800 0.3378 0.3378 1.1542 1.1542 1.1792 1.1792 1.5889 1.5889 1.7552 1.7552 1.8191 1.8191 1.9858 1.9858 2.1692 2.1692 2.2026 2.2026 2.2318 2.2318 3.3463 3.3463 3.5809 3.5809 3.7448 3.7448 6.7165 6.7165 6.7429 6.7429 10.1813 10.1813 13.2025 13.2025 13.6086 13.6086 13.6313 13.6313 13.9844 13.9844 14.0442 14.0442 k = 0.0541 0.0936-0.0000 ( 6811 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3549 -23.3549 -23.3062 -23.3062 -18.1944 -18.1944 -17.6925 -17.6925 -17.6880 -17.6880 -17.5250 -17.5250 -17.4787 -17.4787 -17.4705 -17.4705 -7.1169 -7.1169 -6.9546 -6.9546 -6.8733 -6.8733 -6.8421 -6.8421 -6.6880 -6.6880 -6.6833 -6.6833 -2.3207 -2.3207 -2.2963 -2.2963 -1.5776 -1.5776 -1.1819 -1.1819 -1.1418 -1.1418 -1.0679 -1.0679 0.0194 0.0194 0.2794 0.2794 0.3372 0.3372 1.1574 1.1574 1.1774 1.1774 1.5970 1.5970 1.7697 1.7697 1.8245 1.8245 1.9857 1.9857 2.1740 2.1740 2.2049 2.2049 2.2356 2.2356 3.3422 3.3422 3.5790 3.5790 3.7422 3.7422 6.7229 6.7229 6.7428 6.7428 10.1479 10.1479 13.2023 13.2023 13.6106 13.6106 13.6294 13.6294 13.9892 13.9892 14.0322 14.0322 k = 0.0450 0.0780-0.0000 ( 6805 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3552 -23.3552 -23.3059 -23.3059 -18.1946 -18.1946 -17.6913 -17.6913 -17.6881 -17.6881 -17.5249 -17.5249 -17.4780 -17.4780 -17.4713 -17.4713 -7.1188 -7.1188 -6.9538 -6.9538 -6.8761 -6.8761 -6.8436 -6.8436 -6.6875 -6.6875 -6.6837 -6.6837 -2.3176 -2.3176 -2.2950 -2.2950 -1.5811 -1.5811 -1.1808 -1.1808 -1.1436 -1.1436 -1.0674 -1.0674 0.0109 0.0109 0.2790 0.2790 0.3368 0.3368 1.1600 1.1600 1.1761 1.1761 1.6038 1.6038 1.7818 1.7818 1.8297 1.8297 1.9857 1.9857 2.1779 2.1779 2.2071 2.2071 2.2389 2.2389 3.3386 3.3386 3.5774 3.5774 3.7401 3.7401 6.7285 6.7285 6.7428 6.7428 10.1194 10.1194 13.2018 13.2018 13.6128 13.6128 13.6272 13.6272 13.9932 13.9932 14.0224 14.0224 k = 0.0360 0.0624-0.0000 ( 6805 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3556 -23.3556 -23.3057 -23.3057 -18.1948 -18.1948 -17.6902 -17.6902 -17.6882 -17.6882 -17.5249 -17.5249 -17.4775 -17.4775 -17.4720 -17.4720 -7.1204 -7.1204 -6.9530 -6.9530 -6.8784 -6.8784 -6.8448 -6.8448 -6.6871 -6.6871 -6.6841 -6.6841 -2.3152 -2.3152 -2.2937 -2.2937 -1.5840 -1.5840 -1.1799 -1.1799 -1.1450 -1.1450 -1.0669 -1.0669 0.0039 0.0039 0.2786 0.2786 0.3365 0.3365 1.1618 1.1618 1.1753 1.1753 1.6095 1.6095 1.7913 1.7913 1.8348 1.8348 1.9856 1.9856 2.1808 2.1808 2.2091 2.2091 2.2417 2.2417 3.3355 3.3355 3.5759 3.5759 3.7383 3.7383 6.7332 6.7332 6.7427 6.7427 10.0959 10.0959 13.2013 13.2013 13.6151 13.6151 13.6251 13.6251 13.9963 13.9963 14.0145 14.0145 k = 0.0270 0.0468-0.0000 ( 6809 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3558 -23.3558 -23.3056 -23.3056 -18.1950 -18.1950 -17.6894 -17.6894 -17.6882 -17.6882 -17.5249 -17.5249 -17.4770 -17.4770 -17.4726 -17.4726 -7.1217 -7.1217 -6.9525 -6.9525 -6.8803 -6.8803 -6.8457 -6.8457 -6.6868 -6.6868 -6.6844 -6.6844 -2.3135 -2.3135 -2.2926 -2.2926 -1.5863 -1.5863 -1.1793 -1.1793 -1.1460 -1.1460 -1.0665 -1.0665 -0.0018 -0.0018 0.2783 0.2783 0.3363 0.3363 1.1630 1.1630 1.1750 1.1750 1.6139 1.6139 1.7982 1.7982 1.8395 1.8395 1.9856 1.9856 2.1829 2.1829 2.2108 2.2108 2.2440 2.2440 3.3330 3.3330 3.5747 3.5747 3.7369 3.7369 6.7368 6.7368 6.7427 6.7427 10.0776 10.0776 13.2008 13.2008 13.6171 13.6171 13.6233 13.6233 13.9986 13.9986 14.0086 14.0086 k = 0.0180 0.0312-0.0000 ( 6803 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3560 -23.3560 -23.3055 -23.3055 -18.1952 -18.1952 -17.6889 -17.6889 -17.6883 -17.6883 -17.5248 -17.5248 -17.4767 -17.4767 -17.4729 -17.4729 -7.1226 -7.1226 -6.9520 -6.9520 -6.8817 -6.8817 -6.8464 -6.8464 -6.6866 -6.6866 -6.6846 -6.6846 -2.3124 -2.3124 -2.2916 -2.2916 -1.5880 -1.5880 -1.1788 -1.1788 -1.1468 -1.1468 -1.0662 -1.0662 -0.0059 -0.0059 0.2781 0.2781 0.3362 0.3362 1.1636 1.1636 1.1750 1.1750 1.6171 1.6171 1.8028 1.8028 1.8433 1.8433 1.9856 1.9856 2.1844 2.1844 2.2121 2.2121 2.2456 2.2456 3.3312 3.3312 3.5739 3.5739 3.7359 3.7359 6.7393 6.7393 6.7428 6.7428 10.0644 10.0644 13.2004 13.2004 13.6185 13.6185 13.6221 13.6221 14.0001 14.0001 14.0045 14.0045 k = 0.0090 0.0156-0.0000 ( 6783 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3561 -23.3561 -23.3054 -23.3054 -18.1952 -18.1952 -17.6885 -17.6885 -17.6883 -17.6883 -17.5248 -17.5248 -17.4765 -17.4765 -17.4731 -17.4731 -7.1231 -7.1231 -6.9517 -6.9517 -6.8825 -6.8825 -6.8468 -6.8468 -6.6865 -6.6865 -6.6847 -6.6847 -2.3117 -2.3117 -2.2910 -2.2910 -1.5890 -1.5890 -1.1785 -1.1785 -1.1472 -1.1472 -1.0659 -1.0659 -0.0083 -0.0083 0.2780 0.2780 0.3361 0.3361 1.1639 1.1639 1.1751 1.1751 1.6190 1.6190 1.8054 1.8054 1.8458 1.8458 1.9856 1.9856 2.1852 2.1852 2.2129 2.2129 2.2466 2.2466 3.3301 3.3301 3.5734 3.5734 3.7353 3.7353 6.7406 6.7406 6.7433 6.7433 10.0565 10.0565 13.2001 13.2001 13.6191 13.6191 13.6216 13.6216 14.0007 14.0007 14.0024 14.0024 k = 0.0000 0.0000 0.0000 ( 6783 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3561 -23.3561 -23.3054 -23.3054 -18.1952 -18.1952 -17.6885 -17.6885 -17.6882 -17.6882 -17.5248 -17.5248 -17.4765 -17.4765 -17.4732 -17.4732 -7.1233 -7.1233 -6.9517 -6.9517 -6.8828 -6.8828 -6.8469 -6.8469 -6.6864 -6.6864 -6.6848 -6.6848 -2.3115 -2.3115 -2.2908 -2.2908 -1.5893 -1.5893 -1.1784 -1.1784 -1.1473 -1.1473 -1.0659 -1.0659 -0.0091 -0.0091 0.2779 0.2779 0.3361 0.3361 1.1640 1.1640 1.1752 1.1752 1.6196 1.6196 1.8063 1.8063 1.8467 1.8467 1.9856 1.9856 2.1855 2.1855 2.2132 2.2132 2.2470 2.2470 3.3297 3.3297 3.5732 3.5732 3.7352 3.7352 6.7409 6.7409 6.7435 6.7435 10.0539 10.0539 13.2000 13.2000 13.6192 13.6192 13.6216 13.6216 14.0006 14.0006 14.0020 14.0020 k = 0.0000 0.0000 0.0000 ( 6783 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3561 -23.3561 -23.3054 -23.3054 -18.1952 -18.1952 -17.6885 -17.6885 -17.6882 -17.6882 -17.5248 -17.5248 -17.4765 -17.4765 -17.4732 -17.4732 -7.1233 -7.1233 -6.9517 -6.9517 -6.8828 -6.8828 -6.8469 -6.8469 -6.6864 -6.6864 -6.6848 -6.6848 -2.3115 -2.3115 -2.2908 -2.2908 -1.5893 -1.5893 -1.1784 -1.1784 -1.1473 -1.1473 -1.0659 -1.0659 -0.0091 -0.0091 0.2779 0.2779 0.3361 0.3361 1.1640 1.1640 1.1752 1.1752 1.6196 1.6196 1.8063 1.8063 1.8467 1.8467 1.9856 1.9856 2.1855 2.1855 2.2132 2.2132 2.2470 2.2470 3.3297 3.3297 3.5732 3.5732 3.7352 3.7352 6.7409 6.7409 6.7435 6.7435 10.0539 10.0539 13.2000 13.2000 13.6192 13.6192 13.6216 13.6216 14.0006 14.0006 14.0020 14.0020 k = 0.0000 0.0000 0.0180 ( 6783 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3561 -23.3561 -23.3054 -23.3054 -18.1950 -18.1950 -17.6887 -17.6887 -17.6884 -17.6884 -17.5248 -17.5248 -17.4762 -17.4762 -17.4733 -17.4733 -7.1232 -7.1232 -6.9518 -6.9518 -6.8827 -6.8827 -6.8468 -6.8468 -6.6866 -6.6866 -6.6849 -6.6849 -2.3116 -2.3116 -2.2909 -2.2909 -1.5886 -1.5886 -1.1788 -1.1788 -1.1470 -1.1470 -1.0663 -1.0663 -0.0091 -0.0091 0.2779 0.2779 0.3360 0.3360 1.1648 1.1648 1.1760 1.1760 1.6199 1.6199 1.8061 1.8061 1.8466 1.8466 1.9829 1.9829 2.1860 2.1860 2.2137 2.2137 2.2467 2.2467 3.3310 3.3310 3.5729 3.5729 3.7349 3.7349 6.7407 6.7407 6.7434 6.7434 10.0565 10.0565 13.2009 13.2009 13.6152 13.6152 13.6178 13.6178 13.9845 13.9845 13.9876 13.9876 k = 0.0000 0.0000 0.0360 ( 6807 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3560 -23.3560 -23.3054 -23.3054 -18.1944 -18.1944 -17.6894 -17.6894 -17.6891 -17.6891 -17.5246 -17.5246 -17.4756 -17.4756 -17.4737 -17.4737 -7.1231 -7.1231 -6.9521 -6.9521 -6.8826 -6.8826 -6.8466 -6.8466 -6.6869 -6.6869 -6.6853 -6.6853 -2.3119 -2.3119 -2.2913 -2.2913 -1.5866 -1.5866 -1.1800 -1.1800 -1.1462 -1.1462 -1.0676 -1.0676 -0.0092 -0.0092 0.2779 0.2779 0.3359 0.3359 1.1673 1.1673 1.1783 1.1783 1.6207 1.6207 1.8056 1.8056 1.8462 1.8462 1.9751 1.9751 2.1873 2.1873 2.2152 2.2152 2.2459 2.2459 3.3347 3.3347 3.5717 3.5717 3.7342 3.7342 6.7403 6.7403 6.7431 6.7431 10.0642 10.0642 13.2037 13.2037 13.6032 13.6032 13.6065 13.6065 13.9538 13.9538 13.9583 13.9583 k = 0.0000 0.0000 0.0540 ( 6801 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3559 -23.3559 -23.3055 -23.3055 -18.1933 -18.1933 -17.6905 -17.6905 -17.6901 -17.6901 -17.5242 -17.5242 -17.4744 -17.4744 -17.4742 -17.4742 -7.1228 -7.1228 -6.9527 -6.9527 -6.8823 -6.8823 -6.8462 -6.8462 -6.6875 -6.6875 -6.6859 -6.6859 -2.3124 -2.3124 -2.2920 -2.2920 -1.5833 -1.5833 -1.1818 -1.1818 -1.1447 -1.1447 -1.0697 -1.0697 -0.0092 -0.0092 0.2779 0.2779 0.3357 0.3357 1.1715 1.1715 1.1822 1.1822 1.6220 1.6220 1.8048 1.8048 1.8456 1.8456 1.9622 1.9622 2.1896 2.1896 2.2176 2.2176 2.2447 2.2447 3.3408 3.3408 3.5699 3.5699 3.7331 3.7331 6.7398 6.7398 6.7427 6.7427 10.0771 10.0771 13.2082 13.2082 13.5838 13.5838 13.5882 13.5882 13.9223 13.9223 13.9269 13.9269 k = 0.0000 0.0000 0.0721 ( 6831 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0497 -46.0497 -46.0048 -46.0048 -23.3557 -23.3557 -23.3056 -23.3056 -18.1918 -18.1918 -17.6920 -17.6920 -17.6916 -17.6916 -17.5240 -17.5240 -17.4749 -17.4749 -17.4729 -17.4729 -7.1224 -7.1224 -6.9534 -6.9534 -6.8818 -6.8818 -6.8457 -6.8457 -6.6884 -6.6884 -6.6867 -6.6867 -2.3131 -2.3131 -2.2929 -2.2929 -1.5786 -1.5786 -1.1845 -1.1845 -1.1427 -1.1427 -1.0725 -1.0725 -0.0094 -0.0094 0.2778 0.2778 0.3353 0.3353 1.1773 1.1773 1.1878 1.1878 1.6238 1.6238 1.8036 1.8036 1.8447 1.8447 1.9446 1.9446 2.1925 2.1925 2.2209 2.2209 2.2429 2.2429 3.3489 3.3489 3.5673 3.5673 3.7315 3.7315 6.7389 6.7389 6.7420 6.7420 10.0951 10.0951 13.2145 13.2145 13.5580 13.5580 13.5637 13.5637 13.8931 13.8931 13.8972 13.8972 k = 0.0000 0.0000 0.0901 ( 6831 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0497 -46.0497 -46.0048 -46.0048 -23.3554 -23.3554 -23.3056 -23.3056 -18.1899 -18.1899 -17.6938 -17.6938 -17.6934 -17.6934 -17.5238 -17.5238 -17.4756 -17.4756 -17.4710 -17.4710 -7.1218 -7.1218 -6.9544 -6.9544 -6.8813 -6.8813 -6.8451 -6.8451 -6.6895 -6.6895 -6.6877 -6.6877 -2.3139 -2.3139 -2.2940 -2.2940 -1.5726 -1.5726 -1.1876 -1.1876 -1.1402 -1.1402 -1.0759 -1.0759 -0.0095 -0.0095 0.2777 0.2777 0.3348 0.3348 1.1849 1.1849 1.1949 1.1949 1.6263 1.6263 1.8019 1.8019 1.8438 1.8438 1.9227 1.9227 2.1961 2.1961 2.2251 2.2251 2.2408 2.2408 3.3590 3.3590 3.5640 3.5640 3.7296 3.7296 6.7380 6.7380 6.7413 6.7413 10.1180 10.1180 13.2224 13.2224 13.5270 13.5270 13.5340 13.5340 13.8665 13.8665 13.8699 13.8699 k = 0.0000 0.0000 0.1081 ( 6831 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0497 -46.0497 -46.0048 -46.0048 -23.3551 -23.3551 -23.3058 -23.3058 -18.1876 -18.1876 -17.6960 -17.6960 -17.6955 -17.6955 -17.5239 -17.5239 -17.4763 -17.4763 -17.4687 -17.4687 -7.1212 -7.1212 -6.9556 -6.9556 -6.8806 -6.8806 -6.8443 -6.8443 -6.6908 -6.6908 -6.6890 -6.6890 -2.3149 -2.3149 -2.2953 -2.2953 -1.5653 -1.5653 -1.1915 -1.1915 -1.1371 -1.1371 -1.0799 -1.0799 -0.0097 -0.0097 0.2774 0.2774 0.3341 0.3341 1.1942 1.1942 1.2037 1.2037 1.6292 1.6292 1.7993 1.7993 1.8427 1.8427 1.8972 1.8972 2.2000 2.2000 2.2300 2.2300 2.2386 2.2386 3.3707 3.3707 3.5600 3.5600 3.7274 3.7274 6.7368 6.7368 6.7404 6.7404 10.1459 10.1459 13.2318 13.2318 13.4922 13.4922 13.5004 13.5004 13.8420 13.8420 13.8447 13.8447 k = 0.0000 0.0000 0.1261 ( 6801 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3548 -23.3548 -23.3059 -23.3059 -18.1849 -18.1849 -17.6985 -17.6985 -17.6979 -17.6979 -17.5244 -17.5244 -17.4766 -17.4766 -17.4661 -17.4661 -7.1205 -7.1205 -6.9570 -6.9570 -6.8799 -6.8799 -6.8433 -6.8433 -6.6923 -6.6923 -6.6905 -6.6905 -2.3160 -2.3160 -2.2968 -2.2968 -1.5567 -1.5567 -1.1958 -1.1958 -1.1337 -1.1337 -1.0841 -1.0841 -0.0099 -0.0099 0.2769 0.2769 0.3332 0.3332 1.2053 1.2053 1.2142 1.2142 1.6327 1.6327 1.7950 1.7950 1.8416 1.8416 1.8696 1.8696 2.2038 2.2038 2.2355 2.2355 2.2366 2.2366 3.3838 3.3838 3.5554 3.5554 3.7250 3.7250 6.7355 6.7355 6.7394 6.7394 10.1787 10.1787 13.2425 13.2425 13.4549 13.4549 13.4642 13.4642 13.8189 13.8189 13.8209 13.8209 k = 0.0000 0.0000 0.1441 ( 6801 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3544 -23.3544 -23.3060 -23.3060 -18.1818 -18.1818 -17.7012 -17.7012 -17.7005 -17.7005 -17.5255 -17.5255 -17.4766 -17.4766 -17.4632 -17.4632 -7.1196 -7.1196 -6.9586 -6.9586 -6.8790 -6.8790 -6.8423 -6.8423 -6.6941 -6.6941 -6.6921 -6.6921 -2.3173 -2.3173 -2.2985 -2.2985 -1.5471 -1.5471 -1.2006 -1.2006 -1.1302 -1.1302 -1.0884 -1.0884 -0.0102 -0.0102 0.2761 0.2761 0.3319 0.3319 1.2180 1.2180 1.2262 1.2262 1.6367 1.6367 1.7858 1.7858 1.8404 1.8404 1.8432 1.8432 2.2067 2.2067 2.2354 2.2354 2.2415 2.2415 3.3977 3.3977 3.5502 3.5502 3.7223 3.7223 6.7339 6.7339 6.7382 6.7382 10.2162 10.2162 13.2542 13.2542 13.4163 13.4163 13.4264 13.4264 13.7965 13.7965 13.7981 13.7981 k = 0.0000 0.0000 0.1621 ( 6813 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3540 -23.3540 -23.3062 -23.3062 -18.1783 -18.1783 -17.7042 -17.7042 -17.7034 -17.7034 -17.5274 -17.5274 -17.4761 -17.4761 -17.4601 -17.4601 -7.1187 -7.1187 -6.9603 -6.9603 -6.8780 -6.8780 -6.8411 -6.8411 -6.6960 -6.6960 -6.6940 -6.6940 -2.3188 -2.3188 -2.3005 -2.3005 -1.5364 -1.5364 -1.2059 -1.2059 -1.1271 -1.1271 -1.0921 -1.0921 -0.0106 -0.0106 0.2749 0.2749 0.3302 0.3302 1.2324 1.2324 1.2397 1.2397 1.6412 1.6412 1.7657 1.7657 1.8246 1.8246 1.8392 1.8392 2.2076 2.2076 2.2359 2.2359 2.2478 2.2478 3.4121 3.4121 3.5443 3.5443 3.7194 3.7194 6.7321 6.7321 6.7368 6.7368 10.2582 10.2582 13.2666 13.2666 13.3773 13.3773 13.3879 13.3879 13.7744 13.7744 13.7756 13.7756 k = 0.0000 0.0000 0.1801 ( 6813 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0497 -46.0497 -46.0048 -46.0048 -23.3535 -23.3535 -23.3064 -23.3064 -18.1745 -18.1745 -17.7073 -17.7073 -17.7064 -17.7064 -17.5301 -17.5301 -17.4751 -17.4751 -17.4568 -17.4568 -7.1176 -7.1176 -6.9623 -6.9623 -6.8769 -6.8769 -6.8398 -6.8398 -6.6981 -6.6981 -6.6961 -6.6961 -2.3203 -2.3203 -2.3026 -2.3026 -1.5246 -1.5246 -1.2116 -1.2116 -1.1254 -1.1254 -1.0940 -1.0940 -0.0111 -0.0111 0.2734 0.2734 0.3281 0.3281 1.2485 1.2485 1.2548 1.2548 1.6461 1.6461 1.7333 1.7333 1.8158 1.8158 1.8380 1.8380 2.2061 2.2061 2.2387 2.2387 2.2543 2.2543 3.4269 3.4269 3.5379 3.5379 3.7167 3.7167 6.7301 6.7301 6.7352 6.7352 10.3047 10.3047 13.2789 13.2789 13.3391 13.3391 13.3495 13.3495 13.7523 13.7523 13.7532 13.7532 k = 0.0000 0.0000 0.1982 ( 6825 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0497 -46.0497 -46.0048 -46.0048 -23.3530 -23.3530 -23.3066 -23.3066 -18.1703 -18.1703 -17.7105 -17.7105 -17.7096 -17.7096 -17.5335 -17.5335 -17.4736 -17.4736 -17.4534 -17.4534 -7.1165 -7.1165 -6.9643 -6.9643 -6.8757 -6.8757 -6.8384 -6.8384 -6.7004 -6.7004 -6.6983 -6.6983 -2.3220 -2.3220 -2.3048 -2.3048 -1.5120 -1.5120 -1.2176 -1.2176 -1.1262 -1.1262 -1.0930 -1.0930 -0.0118 -0.0118 0.2714 0.2714 0.3256 0.3256 1.2661 1.2661 1.2713 1.2713 1.6516 1.6516 1.6938 1.6938 1.8117 1.8117 1.8369 1.8369 2.2023 2.2023 2.2432 2.2432 2.2609 2.2609 3.4417 3.4417 3.5310 3.5310 3.7140 3.7140 6.7279 6.7279 6.7335 6.7335 10.3555 10.3555 13.2858 13.2858 13.3071 13.3071 13.3117 13.3117 13.7300 13.7300 13.7306 13.7306 k = 0.0000 0.0000 0.2162 ( 6825 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0497 -46.0497 -46.0048 -46.0048 -23.3525 -23.3525 -23.3068 -23.3068 -18.1658 -18.1658 -17.7138 -17.7138 -17.7129 -17.7129 -17.5377 -17.5377 -17.4716 -17.4716 -17.4498 -17.4498 -7.1153 -7.1153 -6.9666 -6.9666 -6.8744 -6.8744 -6.8369 -6.8369 -6.7028 -6.7028 -6.7007 -6.7007 -2.3238 -2.3238 -2.3072 -2.3072 -1.4986 -1.4986 -1.2237 -1.2237 -1.1298 -1.1298 -1.0887 -1.0887 -0.0126 -0.0126 0.2691 0.2691 0.3226 0.3226 1.2851 1.2851 1.2891 1.2891 1.6505 1.6505 1.6575 1.6575 1.8097 1.8097 1.8361 1.8361 2.1972 2.1972 2.2485 2.2485 2.2675 2.2675 3.4560 3.4560 3.5237 3.5237 3.7117 3.7117 6.7256 6.7256 6.7317 6.7317 10.4105 10.4105 13.2593 13.2593 13.2750 13.2750 13.3091 13.3091 13.7073 13.7073 13.7077 13.7077 k = 0.0000 0.0000 0.2342 ( 6819 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0497 -46.0497 -46.0048 -46.0048 -23.3519 -23.3519 -23.3070 -23.3070 -18.1610 -18.1610 -17.7172 -17.7172 -17.7162 -17.7162 -17.5426 -17.5426 -17.4693 -17.4693 -17.4462 -17.4462 -7.1140 -7.1140 -6.9689 -6.9689 -6.8730 -6.8730 -6.8354 -6.8354 -6.7054 -6.7054 -6.7032 -6.7032 -2.3257 -2.3257 -2.3096 -2.3096 -1.4844 -1.4844 -1.2301 -1.2301 -1.1350 -1.1350 -1.0821 -1.0821 -0.0135 -0.0135 0.2663 0.2663 0.3193 0.3193 1.3056 1.3056 1.3081 1.3081 1.6049 1.6049 1.6637 1.6637 1.8089 1.8089 1.8354 1.8354 2.1911 2.1911 2.2543 2.2543 2.2739 2.2739 3.4697 3.4697 3.5159 3.5159 3.7098 3.7098 6.7231 6.7231 6.7298 6.7298 10.4694 10.4694 13.2246 13.2246 13.2396 13.2396 13.3199 13.3199 13.6843 13.6843 13.6846 13.6846 k = 0.0000 0.0000 0.2522 ( 6819 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0497 -46.0497 -46.0048 -46.0048 -23.3513 -23.3513 -23.3073 -23.3073 -18.1560 -18.1560 -17.7205 -17.7205 -17.7196 -17.7196 -17.5480 -17.5480 -17.4667 -17.4667 -17.4425 -17.4425 -7.1126 -7.1126 -6.9714 -6.9714 -6.8715 -6.8715 -6.8337 -6.8337 -6.7081 -6.7081 -6.7059 -6.7059 -2.3277 -2.3277 -2.3122 -2.3122 -1.4697 -1.4697 -1.2365 -1.2365 -1.1411 -1.1411 -1.0739 -1.0739 -0.0146 -0.0146 0.2631 0.2631 0.3156 0.3156 1.3273 1.3273 1.3280 1.3280 1.5577 1.5577 1.6704 1.6704 1.8088 1.8088 1.8350 1.8350 2.1843 2.1843 2.2599 2.2599 2.2800 2.2800 3.4823 3.4823 3.5078 3.5078 3.7086 3.7086 6.7205 6.7205 6.7277 6.7277 10.5321 10.5321 13.1907 13.1907 13.2058 13.2058 13.3298 13.3298 13.6609 13.6609 13.6611 13.6611 k = 0.0000 0.0000 0.2702 ( 6832 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0497 -46.0497 -46.0048 -46.0048 -23.3507 -23.3507 -23.3075 -23.3075 -18.1506 -18.1506 -17.7239 -17.7239 -17.7230 -17.7230 -17.5540 -17.5540 -17.4639 -17.4639 -17.4388 -17.4388 -7.1111 -7.1111 -6.9740 -6.9740 -6.8700 -6.8700 -6.8320 -6.8320 -6.7108 -6.7108 -6.7087 -6.7087 -2.3297 -2.3297 -2.3149 -2.3149 -1.4546 -1.4546 -1.2430 -1.2430 -1.1478 -1.1478 -1.0644 -1.0644 -0.0159 -0.0159 0.2595 0.2595 0.3115 0.3115 1.3486 1.3486 1.3500 1.3500 1.5096 1.5096 1.6775 1.6775 1.8093 1.8093 1.8349 1.8349 2.1769 2.1769 2.2653 2.2653 2.2856 2.2856 3.4936 3.4936 3.4994 3.4994 3.7083 3.7083 6.7177 6.7177 6.7255 6.7255 10.5984 10.5984 13.1585 13.1585 13.1737 13.1737 13.3374 13.3374 13.6372 13.6372 13.6373 13.6373 k = 0.0000 0.0000 0.2882 ( 6814 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0497 -46.0497 -46.0048 -46.0048 -23.3501 -23.3501 -23.3078 -23.3078 -18.1451 -18.1451 -17.7272 -17.7272 -17.7263 -17.7263 -17.5603 -17.5603 -17.4609 -17.4609 -17.4352 -17.4352 -7.1096 -7.1096 -6.9766 -6.9766 -6.8684 -6.8684 -6.8302 -6.8302 -6.7137 -6.7137 -6.7116 -6.7116 -2.3318 -2.3318 -2.3175 -2.3175 -1.4392 -1.4392 -1.2494 -1.2494 -1.1545 -1.1545 -1.0538 -1.0538 -0.0174 -0.0174 0.2557 0.2557 0.3072 0.3072 1.3689 1.3689 1.3736 1.3736 1.4618 1.4618 1.6849 1.6849 1.8106 1.8106 1.8351 1.8351 2.1690 2.1690 2.2703 2.2703 2.2907 2.2907 3.4909 3.4909 3.5034 3.5034 3.7091 3.7091 6.7148 6.7148 6.7233 6.7233 10.6681 10.6681 13.1282 13.1282 13.1437 13.1437 13.3418 13.3418 13.6133 13.6133 13.6133 13.6133 k = 0.0000 0.0000 0.3062 ( 6826 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0497 -46.0497 -46.0048 -46.0048 -23.3494 -23.3494 -23.3081 -23.3081 -18.1394 -18.1394 -17.7305 -17.7305 -17.7296 -17.7296 -17.5669 -17.5669 -17.4579 -17.4579 -17.4315 -17.4315 -7.1080 -7.1080 -6.9794 -6.9794 -6.8666 -6.8666 -6.8284 -6.8284 -6.7167 -6.7167 -6.7145 -6.7145 -2.3339 -2.3339 -2.3203 -2.3203 -1.4237 -1.4237 -1.2558 -1.2558 -1.1612 -1.1612 -1.0422 -1.0422 -0.0191 -0.0191 0.2515 0.2515 0.3025 0.3025 1.3824 1.3824 1.3979 1.3979 1.4208 1.4208 1.6927 1.6927 1.8125 1.8125 1.8357 1.8357 2.1607 2.1607 2.2747 2.2747 2.2951 2.2951 3.4822 3.4822 3.5114 3.5114 3.7110 3.7110 6.7118 6.7118 6.7209 6.7209 10.7409 10.7409 13.0999 13.0999 13.1156 13.1156 13.3420 13.3420 13.5892 13.5892 13.5893 13.5893 k = 0.0000 0.0000 0.3243 ( 6832 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0497 -46.0497 -46.0048 -46.0048 -23.3487 -23.3487 -23.3084 -23.3084 -18.1335 -18.1335 -17.7336 -17.7336 -17.7328 -17.7328 -17.5738 -17.5738 -17.4549 -17.4549 -17.4280 -17.4280 -7.1064 -7.1064 -6.9821 -6.9821 -6.8649 -6.8649 -6.8265 -6.8265 -6.7196 -6.7196 -6.7175 -6.7175 -2.3360 -2.3360 -2.3230 -2.3230 -1.4084 -1.4084 -1.2621 -1.2621 -1.1678 -1.1678 -1.0297 -1.0297 -0.0209 -0.0209 0.2470 0.2470 0.2977 0.2977 1.3535 1.3535 1.4225 1.4225 1.4225 1.4225 1.7007 1.7007 1.8151 1.8151 1.8369 1.8369 2.1521 2.1521 2.2784 2.2784 2.2987 2.2987 3.4734 3.4734 3.5175 3.5175 3.7141 3.7141 6.7088 6.7088 6.7184 6.7184 10.8167 10.8167 13.0738 13.0738 13.0897 13.0897 13.3370 13.3370 13.5651 13.5651 13.5653 13.5653 k = 0.0000 0.0000 0.3423 ( 6814 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0497 -46.0497 -46.0048 -46.0048 -23.3480 -23.3480 -23.3087 -23.3087 -18.1275 -18.1275 -17.7367 -17.7367 -17.7359 -17.7359 -17.5809 -17.5809 -17.4519 -17.4519 -17.4246 -17.4246 -7.1047 -7.1047 -6.9849 -6.9849 -6.8631 -6.8631 -6.8246 -6.8246 -6.7226 -6.7226 -6.7206 -6.7206 -2.3381 -2.3381 -2.3257 -2.3257 -1.3934 -1.3934 -1.2681 -1.2681 -1.1741 -1.1741 -1.0163 -1.0163 -0.0230 -0.0230 0.2425 0.2425 0.2928 0.2928 1.3068 1.3068 1.4423 1.4423 1.4474 1.4474 1.7090 1.7090 1.8187 1.8187 1.8387 1.8387 2.1432 2.1432 2.2812 2.2812 2.3015 2.3015 3.4647 3.4647 3.5219 3.5219 3.7185 3.7185 6.7058 6.7058 6.7160 6.7160 10.8953 10.8953 13.0498 13.0498 13.0659 13.0659 13.3259 13.3259 13.5411 13.5411 13.5414 13.5414 k = 0.0000 0.0000 0.3603 ( 6814 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0497 -46.0497 -46.0048 -46.0048 -23.3474 -23.3474 -23.3091 -23.3091 -18.1215 -18.1215 -17.7396 -17.7396 -17.7389 -17.7389 -17.5880 -17.5880 -17.4490 -17.4490 -17.4213 -17.4213 -7.1030 -7.1030 -6.9878 -6.9878 -6.8612 -6.8612 -6.8227 -6.8227 -6.7257 -6.7257 -6.7237 -6.7237 -2.3401 -2.3401 -2.3283 -2.3283 -1.3788 -1.3788 -1.2739 -1.2739 -1.1801 -1.1801 -1.0021 -1.0021 -0.0254 -0.0254 0.2378 0.2378 0.2878 0.2878 1.2590 1.2590 1.4636 1.4636 1.4721 1.4721 1.7175 1.7175 1.8231 1.8231 1.8410 1.8410 2.1341 2.1341 2.2832 2.2832 2.3034 2.3034 3.4560 3.4560 3.5246 3.5246 3.7238 3.7238 6.7027 6.7027 6.7136 6.7136 10.9763 10.9763 13.0279 13.0279 13.0443 13.0443 13.3080 13.3080 13.5174 13.5174 13.5178 13.5178 k = 0.0000 0.0000 0.3783 ( 6826 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0497 -46.0497 -46.0048 -46.0048 -23.3467 -23.3467 -23.3094 -23.3094 -18.1155 -18.1155 -17.7424 -17.7424 -17.7417 -17.7417 -17.5952 -17.5952 -17.4462 -17.4462 -17.4181 -17.4181 -7.1013 -7.1013 -6.9906 -6.9906 -6.8593 -6.8593 -6.8207 -6.8207 -6.7287 -6.7287 -6.7267 -6.7267 -2.3421 -2.3421 -2.3308 -2.3308 -1.3649 -1.3649 -1.2795 -1.2795 -1.1857 -1.1857 -0.9873 -0.9873 -0.0279 -0.0279 0.2330 0.2330 0.2828 0.2828 1.2118 1.2118 1.4846 1.4846 1.4963 1.4963 1.7260 1.7260 1.8285 1.8285 1.8441 1.8441 2.1248 2.1248 2.2842 2.2842 2.3042 2.3042 3.4476 3.4476 3.5257 3.5257 3.7299 3.7299 6.6997 6.6997 6.7111 6.7111 11.0596 11.0596 13.0083 13.0083 13.0249 13.0249 13.2826 13.2826 13.4942 13.4942 13.4947 13.4947 k = 0.0000 0.0000 0.3963 ( 6826 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3460 -23.3460 -23.3097 -23.3097 -18.1095 -18.1095 -17.7451 -17.7451 -17.7444 -17.7444 -17.6023 -17.6023 -17.4435 -17.4435 -17.4151 -17.4151 -7.0996 -7.0996 -6.9933 -6.9933 -6.8575 -6.8575 -6.8188 -6.8188 -6.7316 -6.7316 -6.7298 -6.7298 -2.3440 -2.3440 -2.3333 -2.3333 -1.3518 -1.3518 -1.2848 -1.2848 -1.1907 -1.1907 -0.9718 -0.9718 -0.0307 -0.0307 0.2283 0.2283 0.2779 0.2779 1.1659 1.1659 1.5048 1.5048 1.5197 1.5197 1.7347 1.7347 1.8350 1.8350 1.8481 1.8481 2.1154 2.1154 2.2843 2.2843 2.3041 2.3041 3.4393 3.4393 3.5256 3.5256 3.7367 3.7367 6.6967 6.6967 6.7087 6.7087 11.1449 11.1449 12.9907 12.9907 13.0076 13.0076 13.2494 13.2494 13.4715 13.4715 13.4721 13.4721 k = 0.0000 0.0000 0.4143 ( 6826 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3454 -23.3454 -23.3100 -23.3100 -18.1036 -18.1036 -17.7476 -17.7476 -17.7469 -17.7469 -17.6093 -17.6093 -17.4409 -17.4409 -17.4123 -17.4123 -7.0979 -7.0979 -6.9960 -6.9960 -6.8556 -6.8556 -6.8168 -6.8168 -6.7345 -6.7345 -6.7327 -6.7327 -2.3459 -2.3459 -2.3357 -2.3357 -1.3398 -1.3398 -1.2898 -1.2898 -1.1952 -1.1952 -0.9558 -0.9558 -0.0336 -0.0336 0.2237 0.2237 0.2731 0.2731 1.1217 1.1217 1.5239 1.5239 1.5421 1.5421 1.7434 1.7434 1.8426 1.8426 1.8530 1.8530 2.1060 2.1060 2.2834 2.2834 2.3030 2.3030 3.4314 3.4314 3.5246 3.5246 3.7437 3.7437 6.6938 6.6938 6.7063 6.7063 11.2319 11.2319 12.9752 12.9752 12.9924 12.9924 13.2086 13.2086 13.4495 13.4495 13.4503 13.4503 k = 0.0000 0.0000 0.4323 ( 6838 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3448 -23.3448 -23.3103 -23.3103 -18.0979 -18.0979 -17.7499 -17.7499 -17.7493 -17.7493 -17.6161 -17.6161 -17.4385 -17.4385 -17.4097 -17.4097 -7.0962 -7.0962 -6.9986 -6.9986 -6.8537 -6.8537 -6.8150 -6.8150 -6.7374 -6.7374 -6.7356 -6.7356 -2.3476 -2.3476 -2.3379 -2.3379 -1.3289 -1.3289 -1.2944 -1.2944 -1.1991 -1.1991 -0.9397 -0.9397 -0.0367 -0.0367 0.2193 0.2193 0.2685 0.2685 1.0796 1.0796 1.5413 1.5413 1.5630 1.5630 1.7521 1.7521 1.8513 1.8513 1.8588 1.8588 2.0967 2.0967 2.2815 2.2815 2.3009 2.3009 3.4239 3.4239 3.5229 3.5229 3.7508 3.7508 6.6910 6.6910 6.7040 6.7040 11.3203 11.3203 12.9616 12.9616 12.9792 12.9792 13.1604 13.1604 13.4285 13.4285 13.4295 13.4295 k = 0.0000 0.0000 0.4504 ( 6838 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3442 -23.3442 -23.3107 -23.3107 -18.0924 -18.0924 -17.7520 -17.7520 -17.7515 -17.7515 -17.6226 -17.6226 -17.4363 -17.4363 -17.4072 -17.4072 -7.0945 -7.0945 -7.0012 -7.0012 -6.8519 -6.8519 -6.8131 -6.8131 -6.7401 -6.7401 -6.7384 -6.7384 -2.3493 -2.3493 -2.3399 -2.3399 -1.3192 -1.3192 -1.2987 -1.2987 -1.2022 -1.2022 -0.9235 -0.9235 -0.0399 -0.0399 0.2150 0.2150 0.2641 0.2641 1.0401 1.0401 1.5572 1.5572 1.5821 1.5821 1.7606 1.7606 1.8611 1.8611 1.8656 1.8656 2.0875 2.0875 2.2788 2.2788 2.2979 2.2979 3.4170 3.4170 3.5208 3.5208 3.7577 3.7577 6.6883 6.6883 6.7019 6.7019 11.4097 11.4097 12.9499 12.9499 12.9679 12.9679 13.1056 13.1056 13.4086 13.4086 13.4097 13.4097 k = 0.0000 0.0000 0.4684 ( 6826 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3436 -23.3436 -23.3110 -23.3110 -18.0873 -18.0873 -17.7539 -17.7539 -17.7534 -17.7534 -17.6287 -17.6287 -17.4343 -17.4343 -17.4050 -17.4050 -7.0930 -7.0930 -7.0035 -7.0035 -6.8502 -6.8502 -6.8113 -6.8113 -6.7427 -6.7427 -6.7410 -6.7410 -2.3507 -2.3507 -2.3418 -2.3418 -1.3108 -1.3108 -1.3025 -1.3025 -1.2046 -1.2046 -0.9076 -0.9076 -0.0432 -0.0432 0.2111 0.2111 0.2602 0.2602 1.0034 1.0034 1.5711 1.5711 1.5993 1.5993 1.7688 1.7688 1.8716 1.8716 1.8734 1.8734 2.0786 2.0786 2.2753 2.2753 2.2942 2.2942 3.4105 3.4105 3.5185 3.5185 3.7644 3.7644 6.6859 6.6859 6.6999 6.6999 11.4997 11.4997 12.9396 12.9396 12.9583 12.9583 13.0452 13.0452 13.3900 13.3900 13.3913 13.3913 k = 0.0000 0.0000 0.4864 ( 6838 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3431 -23.3431 -23.3112 -23.3112 -18.0825 -18.0825 -17.7556 -17.7556 -17.7552 -17.7552 -17.6344 -17.6344 -17.4325 -17.4325 -17.4031 -17.4031 -7.0915 -7.0915 -7.0058 -7.0058 -6.8486 -6.8486 -6.8096 -6.8096 -6.7451 -6.7451 -6.7434 -6.7434 -2.3521 -2.3521 -2.3436 -2.3436 -1.3060 -1.3060 -1.3039 -1.3039 -1.2064 -1.2064 -0.8925 -0.8925 -0.0465 -0.0465 0.2074 0.2074 0.2565 0.2565 0.9700 0.9700 1.5832 1.5832 1.6144 1.6144 1.7768 1.7768 1.8819 1.8819 1.8826 1.8826 2.0702 2.0702 2.2712 2.2712 2.2898 2.2898 3.4047 3.4047 3.5160 3.5160 3.7704 3.7704 6.6837 6.6837 6.6981 6.6981 11.5896 11.5896 12.9299 12.9299 12.9504 12.9504 12.9810 12.9810 13.3729 13.3729 13.3744 13.3744 k = 0.0000 0.0000 0.5044 ( 6820 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3426 -23.3426 -23.3115 -23.3115 -18.0781 -18.0781 -17.7571 -17.7571 -17.7567 -17.7567 -17.6395 -17.6395 -17.4309 -17.4309 -17.4014 -17.4014 -7.0901 -7.0901 -7.0078 -7.0078 -6.8471 -6.8471 -6.8080 -6.8080 -6.7474 -6.7474 -6.7456 -6.7456 -2.3533 -2.3533 -2.3450 -2.3450 -1.3090 -1.3090 -1.2983 -1.2983 -1.2074 -1.2074 -0.8781 -0.8781 -0.0496 -0.0496 0.2042 0.2042 0.2533 0.2533 0.9402 0.9402 1.5934 1.5934 1.6272 1.6272 1.7842 1.7842 1.8908 1.8908 1.8939 1.8939 2.0623 2.0623 2.2666 2.2666 2.2850 2.2850 3.3996 3.3996 3.5138 3.5138 3.7760 3.7760 6.6817 6.6817 6.6964 6.6964 11.6789 11.6789 12.9023 12.9023 12.9325 12.9325 12.9441 12.9441 13.3575 13.3575 13.3593 13.3593 k = 0.0000 0.0000 0.5224 ( 6814 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3422 -23.3422 -23.3117 -23.3117 -18.0743 -18.0743 -17.7583 -17.7583 -17.7580 -17.7580 -17.6439 -17.6439 -17.4295 -17.4295 -17.3999 -17.3999 -7.0889 -7.0889 -7.0095 -7.0095 -6.8457 -6.8457 -6.8066 -6.8066 -6.7494 -6.7494 -6.7476 -6.7476 -2.3543 -2.3543 -2.3463 -2.3463 -1.3115 -1.3115 -1.2939 -1.2939 -1.2079 -1.2079 -0.8652 -0.8652 -0.0526 -0.0526 0.2014 0.2014 0.2505 0.2505 0.9144 0.9144 1.6017 1.6017 1.6377 1.6377 1.7910 1.7910 1.8998 1.8998 1.9047 1.9047 2.0552 2.0552 2.2619 2.2619 2.2802 2.2802 3.3951 3.3951 3.5116 3.5116 3.7809 3.7809 6.6800 6.6800 6.6950 6.6950 11.7663 11.7663 12.8352 12.8352 12.9228 12.9228 12.9390 12.9390 13.3440 13.3440 13.3460 13.3460 k = 0.0000 0.0000 0.5404 ( 6814 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3419 -23.3419 -23.3119 -23.3119 -18.0711 -18.0711 -17.7594 -17.7594 -17.7591 -17.7591 -17.6477 -17.6477 -17.4284 -17.4284 -17.3987 -17.3987 -7.0878 -7.0878 -7.0111 -7.0111 -6.8446 -6.8446 -6.8053 -6.8053 -6.7511 -6.7511 -6.7493 -6.7493 -2.3551 -2.3551 -2.3474 -2.3474 -1.3136 -1.3136 -1.2907 -1.2907 -1.2080 -1.2080 -0.8539 -0.8539 -0.0553 -0.0553 0.1990 0.1990 0.2481 0.2481 0.8927 0.8927 1.6083 1.6083 1.6461 1.6461 1.7969 1.7969 1.9082 1.9082 1.9147 1.9147 2.0489 2.0489 2.2574 2.2574 2.2754 2.2754 3.3914 3.3914 3.5097 3.5097 3.7849 3.7849 6.6785 6.6785 6.6938 6.6938 11.8502 11.8502 12.7643 12.7643 12.9181 12.9181 12.9352 12.9352 13.3327 13.3327 13.3349 13.3349 k = 0.0000 0.0000 0.5584 ( 6814 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3416 -23.3416 -23.3120 -23.3120 -18.0685 -18.0685 -17.7602 -17.7602 -17.7599 -17.7599 -17.6507 -17.6507 -17.4275 -17.4275 -17.3977 -17.3977 -7.0869 -7.0869 -7.0123 -7.0123 -6.8436 -6.8436 -6.8043 -6.8043 -6.7525 -6.7525 -6.7506 -6.7506 -2.3559 -2.3559 -2.3483 -2.3483 -1.3152 -1.3152 -1.2883 -1.2883 -1.2078 -1.2078 -0.8448 -0.8448 -0.0575 -0.0575 0.1971 0.1971 0.2463 0.2463 0.8755 0.8755 1.6133 1.6133 1.6525 1.6525 1.8017 1.8017 1.9155 1.9155 1.9232 1.9232 2.0438 2.0438 2.2533 2.2533 2.2713 2.2713 3.3885 3.3885 3.5081 3.5081 3.7880 3.7880 6.6774 6.6774 6.6929 6.6929 11.9280 11.9280 12.6962 12.6962 12.9148 12.9148 12.9324 12.9324 13.3237 13.3237 13.3260 13.3260 k = 0.0000 0.0000 0.5765 ( 6814 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3414 -23.3414 -23.3122 -23.3122 -18.0666 -18.0666 -17.7608 -17.7608 -17.7605 -17.7605 -17.6530 -17.6530 -17.4268 -17.4268 -17.3970 -17.3970 -7.0863 -7.0863 -7.0132 -7.0132 -6.8430 -6.8430 -6.8035 -6.8035 -6.7535 -6.7535 -6.7516 -6.7516 -2.3563 -2.3563 -2.3489 -2.3489 -1.3164 -1.3164 -1.2868 -1.2868 -1.2075 -1.2075 -0.8380 -0.8380 -0.0592 -0.0592 0.1957 0.1957 0.2450 0.2450 0.8631 0.8631 1.6168 1.6168 1.6569 1.6569 1.8054 1.8054 1.9213 1.9213 1.9298 1.9298 2.0400 2.0400 2.2500 2.2500 2.2679 2.2679 3.3865 3.3865 3.5071 3.5071 3.7904 3.7904 6.6765 6.6765 6.6922 6.6922 11.9946 11.9946 12.6361 12.6361 12.9127 12.9127 12.9305 12.9305 13.3171 13.3171 13.3195 13.3195 k = 0.0000 0.0000 0.5945 ( 6820 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3413 -23.3413 -23.3122 -23.3122 -18.0655 -18.0655 -17.7612 -17.7612 -17.7609 -17.7609 -17.6543 -17.6543 -17.4265 -17.4265 -17.3966 -17.3966 -7.0859 -7.0859 -7.0137 -7.0137 -6.8425 -6.8425 -6.8030 -6.8030 -6.7542 -6.7542 -6.7522 -6.7522 -2.3567 -2.3567 -2.3493 -2.3493 -1.3171 -1.3171 -1.2860 -1.2860 -1.2073 -1.2073 -0.8338 -0.8338 -0.0602 -0.0602 0.1949 0.1949 0.2442 0.2442 0.8555 0.8555 1.6188 1.6188 1.6595 1.6595 1.8077 1.8077 1.9249 1.9249 1.9339 1.9339 2.0376 2.0376 2.2479 2.2479 2.2658 2.2658 3.3852 3.3852 3.5064 3.5064 3.7918 3.7918 6.6761 6.6761 6.6918 6.6918 12.0420 12.0420 12.5925 12.5925 12.9114 12.9114 12.9294 12.9294 13.3131 13.3131 13.3156 13.3156 k = 0.0000 0.0000 0.6125 ( 6826 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3413 -23.3413 -23.3123 -23.3123 -18.0651 -18.0651 -17.7613 -17.7613 -17.7610 -17.7610 -17.6547 -17.6547 -17.4263 -17.4263 -17.3965 -17.3965 -7.0858 -7.0858 -7.0139 -7.0139 -6.8424 -6.8424 -6.8029 -6.8029 -6.7544 -6.7544 -6.7524 -6.7524 -2.3568 -2.3568 -2.3495 -2.3495 -1.3174 -1.3174 -1.2858 -1.2858 -1.2073 -1.2073 -0.8324 -0.8324 -0.0606 -0.0606 0.1946 0.1946 0.2439 0.2439 0.8530 0.8530 1.6194 1.6194 1.6603 1.6603 1.8085 1.8085 1.9262 1.9262 1.9353 1.9353 2.0368 2.0368 2.2472 2.2472 2.2651 2.2651 3.3847 3.3847 3.5061 3.5061 3.7923 3.7923 6.6759 6.6759 6.6917 6.6917 12.0597 12.0597 12.5761 12.5761 12.9110 12.9110 12.9290 12.9290 13.3117 13.3117 13.3142 13.3142 k = 0.0000 0.0000 0.6125 ( 6826 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3413 -23.3413 -23.3123 -23.3123 -18.0651 -18.0651 -17.7613 -17.7613 -17.7610 -17.7610 -17.6547 -17.6547 -17.4263 -17.4263 -17.3965 -17.3965 -7.0858 -7.0858 -7.0139 -7.0139 -6.8424 -6.8424 -6.8029 -6.8029 -6.7544 -6.7544 -6.7524 -6.7524 -2.3568 -2.3568 -2.3495 -2.3495 -1.3174 -1.3174 -1.2858 -1.2858 -1.2073 -1.2073 -0.8324 -0.8324 -0.0606 -0.0606 0.1946 0.1946 0.2439 0.2439 0.8530 0.8530 1.6194 1.6194 1.6603 1.6603 1.8085 1.8085 1.9262 1.9262 1.9353 1.9353 2.0368 2.0368 2.2472 2.2472 2.2651 2.2651 3.3847 3.3847 3.5061 3.5061 3.7923 3.7923 6.6759 6.6759 6.6917 6.6917 12.0597 12.0597 12.5761 12.5761 12.9110 12.9110 12.9290 12.9290 13.3117 13.3117 13.3142 13.3142 k = 0.0156 0.0090 0.6125 ( 6822 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3413 -23.3413 -23.3123 -23.3123 -18.0650 -18.0650 -17.7614 -17.7614 -17.7611 -17.7611 -17.6546 -17.6546 -17.4264 -17.4264 -17.3965 -17.3965 -7.0857 -7.0857 -7.0139 -7.0139 -6.8422 -6.8422 -6.8029 -6.8029 -6.7543 -6.7543 -6.7521 -6.7521 -2.3569 -2.3569 -2.3496 -2.3496 -1.3174 -1.3174 -1.2856 -1.2856 -1.2071 -1.2071 -0.8322 -0.8322 -0.0600 -0.0600 0.1945 0.1945 0.2437 0.2437 0.8533 0.8533 1.6190 1.6190 1.6599 1.6599 1.8079 1.8079 1.9257 1.9257 1.9349 1.9349 2.0366 2.0366 2.2470 2.2470 2.2648 2.2648 3.3848 3.3848 3.5063 3.5063 3.7927 3.7927 6.6756 6.6756 6.6914 6.6914 12.0608 12.0608 12.5781 12.5781 12.9121 12.9121 12.9301 12.9301 13.3129 13.3129 13.3154 13.3154 k = 0.0312 0.0180 0.6125 ( 6830 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3412 -23.3412 -23.3123 -23.3123 -18.0648 -18.0648 -17.7617 -17.7617 -17.7611 -17.7611 -17.6543 -17.6543 -17.4266 -17.4266 -17.3967 -17.3967 -7.0855 -7.0855 -7.0139 -7.0139 -6.8418 -6.8418 -6.8031 -6.8031 -6.7540 -6.7540 -6.7514 -6.7514 -2.3572 -2.3572 -2.3499 -2.3499 -1.3177 -1.3177 -1.2852 -1.2852 -1.2067 -1.2067 -0.8317 -0.8317 -0.0581 -0.0581 0.1940 0.1940 0.2432 0.2432 0.8541 0.8541 1.6175 1.6175 1.6586 1.6586 1.8062 1.8062 1.9240 1.9240 1.9335 1.9335 2.0361 2.0361 2.2462 2.2462 2.2641 2.2641 3.3850 3.3850 3.5068 3.5068 3.7940 3.7940 6.6746 6.6746 6.6906 6.6906 12.0642 12.0642 12.5841 12.5841 12.9154 12.9154 12.9333 12.9333 13.3161 13.3161 13.3191 13.3191 k = 0.0469 0.0271 0.6125 ( 6832 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3411 -23.3411 -23.3123 -23.3123 -18.0643 -18.0643 -17.7624 -17.7624 -17.7612 -17.7612 -17.6538 -17.6538 -17.4269 -17.4269 -17.3971 -17.3971 -7.0850 -7.0850 -7.0138 -7.0138 -6.8412 -6.8412 -6.8035 -6.8035 -6.7536 -6.7536 -6.7501 -6.7501 -2.3578 -2.3578 -2.3503 -2.3503 -1.3182 -1.3182 -1.2845 -1.2845 -1.2059 -1.2059 -0.8309 -0.8309 -0.0549 -0.0549 0.1932 0.1932 0.2424 0.2424 0.8555 0.8555 1.6151 1.6151 1.6566 1.6566 1.8033 1.8033 1.9212 1.9212 1.9314 1.9314 2.0352 2.0352 2.2448 2.2448 2.2630 2.2630 3.3855 3.3855 3.5078 3.5078 3.7962 3.7962 6.6728 6.6728 6.6896 6.6896 12.0699 12.0699 12.5941 12.5941 12.9207 12.9207 12.9387 12.9387 13.3211 13.3211 13.3256 13.3256 k = 0.0625 0.0361 0.6125 ( 6844 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3409 -23.3409 -23.3124 -23.3124 -18.0637 -18.0637 -17.7633 -17.7633 -17.7612 -17.7612 -17.6532 -17.6532 -17.4274 -17.4274 -17.3975 -17.3975 -7.0845 -7.0845 -7.0137 -7.0137 -6.8403 -6.8403 -6.8038 -6.8038 -6.7530 -6.7530 -6.7484 -6.7484 -2.3590 -2.3590 -2.3507 -2.3507 -1.3189 -1.3189 -1.2836 -1.2836 -1.2048 -1.2048 -0.8297 -0.8297 -0.0505 -0.0505 0.1920 0.1920 0.2415 0.2415 0.8574 0.8574 1.6114 1.6114 1.6539 1.6539 1.7993 1.7993 1.9172 1.9172 1.9288 1.9288 2.0339 2.0339 2.2427 2.2427 2.2616 2.2616 3.3861 3.3861 3.5091 3.5091 3.7993 3.7993 6.6699 6.6699 6.6886 6.6886 12.0778 12.0778 12.6079 12.6079 12.9281 12.9281 12.9462 12.9462 13.3279 13.3279 13.3347 13.3347 k = 0.0781 0.0451 0.6125 ( 6832 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3408 -23.3408 -23.3125 -23.3125 -18.0628 -18.0628 -17.7644 -17.7644 -17.7612 -17.7612 -17.6523 -17.6523 -17.4280 -17.4280 -17.3980 -17.3980 -7.0837 -7.0837 -7.0137 -7.0137 -6.8392 -6.8392 -6.8042 -6.8042 -6.7522 -6.7522 -6.7462 -6.7462 -2.3606 -2.3606 -2.3509 -2.3509 -1.3199 -1.3199 -1.2824 -1.2824 -1.2032 -1.2032 -0.8282 -0.8282 -0.0450 -0.0450 0.1903 0.1903 0.2406 0.2406 0.8598 0.8598 1.6065 1.6065 1.6506 1.6506 1.7944 1.7944 1.9120 1.9120 1.9259 1.9259 2.0323 2.0323 2.2399 2.2399 2.2601 2.2601 3.3868 3.3868 3.5109 3.5109 3.8031 3.8031 6.6659 6.6659 6.6879 6.6879 12.0880 12.0880 12.6253 12.6253 12.9375 12.9375 12.9559 12.9559 13.3366 13.3366 13.3463 13.3463 k = 0.0938 0.0541 0.6125 ( 6828 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3405 -23.3405 -23.3126 -23.3126 -18.0619 -18.0619 -17.7658 -17.7658 -17.7613 -17.7613 -17.6513 -17.6513 -17.4287 -17.4287 -17.3987 -17.3987 -7.0828 -7.0828 -7.0135 -7.0135 -6.8379 -6.8379 -6.8046 -6.8046 -6.7513 -6.7513 -6.7437 -6.7437 -2.3628 -2.3628 -2.3509 -2.3509 -1.3213 -1.3213 -1.2810 -1.2810 -1.2010 -1.2010 -0.8264 -0.8264 -0.0385 -0.0385 0.1881 0.1881 0.2398 0.2398 0.8627 0.8627 1.6001 1.6001 1.6467 1.6467 1.7885 1.7885 1.9058 1.9058 1.9227 1.9227 2.0305 2.0305 2.2361 2.2361 2.2585 2.2585 3.3874 3.3874 3.5130 3.5130 3.8078 3.8078 6.6606 6.6606 6.6874 6.6874 12.1005 12.1005 12.6463 12.6463 12.9488 12.9488 12.9677 12.9677 13.3471 13.3471 13.3603 13.3603 k = 0.1094 0.0631 0.6125 ( 6828 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3403 -23.3403 -23.3127 -23.3127 -18.0607 -18.0607 -17.7673 -17.7673 -17.7613 -17.7613 -17.6502 -17.6502 -17.4296 -17.4296 -17.3993 -17.3993 -7.0818 -7.0818 -7.0134 -7.0134 -6.8365 -6.8365 -6.8048 -6.8048 -6.7503 -6.7503 -6.7409 -6.7409 -2.3655 -2.3655 -2.3507 -2.3507 -1.3231 -1.3231 -1.2793 -1.2793 -1.1983 -1.1983 -0.8242 -0.8242 -0.0311 -0.0311 0.1852 0.1852 0.2392 0.2392 0.8660 0.8660 1.5921 1.5921 1.6424 1.6424 1.7816 1.7816 1.8987 1.8987 1.9194 1.9194 2.0282 2.0282 2.2314 2.2314 2.2570 2.2570 3.3881 3.3881 3.5155 3.5155 3.8132 3.8132 6.6541 6.6541 6.6872 6.6872 12.1151 12.1151 12.6705 12.6705 12.9618 12.9618 12.9817 12.9817 13.3594 13.3594 13.3764 13.3764 k = 0.1250 0.0722 0.6125 ( 6828 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3400 -23.3400 -23.3129 -23.3129 -18.0594 -18.0594 -17.7690 -17.7690 -17.7614 -17.7614 -17.6490 -17.6490 -17.4307 -17.4307 -17.4001 -17.4001 -7.0807 -7.0807 -7.0133 -7.0133 -6.8350 -6.8350 -6.8048 -6.8048 -6.7491 -6.7491 -6.7378 -6.7378 -2.3686 -2.3686 -2.3504 -2.3504 -1.3254 -1.3254 -1.2774 -1.2774 -1.1949 -1.1949 -0.8218 -0.8218 -0.0230 -0.0230 0.1818 0.1818 0.2391 0.2391 0.8698 0.8698 1.5824 1.5824 1.6377 1.6377 1.7740 1.7740 1.8910 1.8910 1.9158 1.9158 2.0258 2.0258 2.2258 2.2258 2.2555 2.2555 3.3886 3.3886 3.5183 3.5183 3.8193 3.8193 6.6465 6.6465 6.6872 6.6872 12.1320 12.1320 12.6976 12.6976 12.9767 12.9767 12.9977 12.9977 13.3734 13.3734 13.3945 13.3945 k = 0.1406 0.0812 0.6125 ( 6824 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3396 -23.3396 -23.3130 -23.3130 -18.0580 -18.0580 -17.7708 -17.7708 -17.7614 -17.7614 -17.6477 -17.6477 -17.4319 -17.4319 -17.4008 -17.4008 -7.0794 -7.0794 -7.0131 -7.0131 -6.8336 -6.8336 -6.8046 -6.8046 -6.7478 -6.7478 -6.7345 -6.7345 -2.3722 -2.3722 -2.3500 -2.3500 -1.3281 -1.3281 -1.2754 -1.2754 -1.1907 -1.1907 -0.8190 -0.8190 -0.0144 -0.0144 0.1779 0.1779 0.2393 0.2393 0.8738 0.8738 1.5709 1.5709 1.6326 1.6326 1.7659 1.7659 1.8830 1.8830 1.9121 1.9121 2.0231 2.0231 2.2194 2.2194 2.2541 2.2541 3.3889 3.3889 3.5215 3.5215 3.8260 3.8260 6.6382 6.6382 6.6873 6.6873 12.1510 12.1510 12.7273 12.7273 12.9933 12.9933 13.0158 13.0158 13.3893 13.3893 13.4142 13.4142 k = 0.1562 0.0902 0.6125 ( 6828 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3393 -23.3393 -23.3132 -23.3132 -18.0565 -18.0565 -17.7727 -17.7727 -17.7615 -17.7615 -17.6464 -17.6464 -17.4333 -17.4333 -17.4016 -17.4016 -7.0780 -7.0780 -7.0129 -7.0129 -6.8322 -6.8322 -6.8040 -6.8040 -6.7463 -6.7463 -6.7311 -6.7311 -2.3761 -2.3761 -2.3496 -2.3496 -1.3313 -1.3313 -1.2731 -1.2731 -1.1859 -1.1859 -0.8159 -0.8159 -0.0056 -0.0056 0.1737 0.1737 0.2400 0.2400 0.8783 0.8783 1.5578 1.5578 1.6269 1.6269 1.7574 1.7574 1.8747 1.8747 1.9083 1.9083 2.0202 2.0202 2.2121 2.2121 2.2527 2.2527 3.3890 3.3890 3.5249 3.5249 3.8332 3.8332 6.6290 6.6290 6.6875 6.6875 12.1720 12.1720 12.7589 12.7589 13.0116 13.0116 13.0359 13.0359 13.4068 13.4068 13.4354 13.4354 k = 0.1719 0.0992 0.6125 ( 6842 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3389 -23.3389 -23.3134 -23.3134 -18.0548 -18.0548 -17.7747 -17.7747 -17.7616 -17.7616 -17.6451 -17.6451 -17.4349 -17.4349 -17.4024 -17.4024 -7.0765 -7.0765 -7.0127 -7.0127 -6.8310 -6.8310 -6.8030 -6.8030 -6.7447 -6.7447 -6.7276 -6.7276 -2.3804 -2.3804 -2.3490 -2.3490 -1.3350 -1.3350 -1.2708 -1.2708 -1.1804 -1.1804 -0.8125 -0.8125 0.0030 0.0030 0.1697 0.1697 0.2411 0.2411 0.8829 0.8829 1.5430 1.5430 1.6206 1.6206 1.7489 1.7489 1.8664 1.8664 1.9042 1.9042 2.0171 2.0171 2.2040 2.2040 2.2513 2.2513 3.3888 3.3888 3.5286 3.5286 3.8408 3.8408 6.6191 6.6191 6.6878 6.6878 12.1952 12.1952 12.7921 12.7921 13.0316 13.0316 13.0581 13.0581 13.4260 13.4260 13.4578 13.4578 k = 0.1875 0.1083 0.6125 ( 6836 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3385 -23.3385 -23.3137 -23.3137 -18.0531 -18.0531 -17.7767 -17.7767 -17.7616 -17.7616 -17.6437 -17.6437 -17.4366 -17.4366 -17.4031 -17.4031 -7.0750 -7.0750 -7.0125 -7.0125 -6.8300 -6.8300 -6.8017 -6.8017 -6.7430 -6.7430 -6.7240 -6.7240 -2.3849 -2.3849 -2.3484 -2.3484 -1.3390 -1.3390 -1.2682 -1.2682 -1.1743 -1.1743 -0.8089 -0.8089 0.0111 0.0111 0.1661 0.1661 0.2425 0.2425 0.8878 0.8878 1.5269 1.5269 1.6135 1.6135 1.7404 1.7404 1.8583 1.8583 1.9001 1.9001 2.0141 2.0141 2.1954 2.1954 2.2500 2.2500 3.3883 3.3883 3.5326 3.5326 3.8487 3.8487 6.6088 6.6088 6.6882 6.6882 12.2202 12.2202 12.8259 12.8259 13.0532 13.0532 13.0826 13.0826 13.4466 13.4466 13.4810 13.4810 k = 0.2031 0.1173 0.6125 ( 6840 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3380 -23.3380 -23.3139 -23.3139 -18.0512 -18.0512 -17.7787 -17.7787 -17.7617 -17.7617 -17.6424 -17.6424 -17.4384 -17.4384 -17.4038 -17.4038 -7.0734 -7.0734 -7.0123 -7.0123 -6.8292 -6.8292 -6.7999 -6.7999 -6.7411 -6.7411 -6.7204 -6.7204 -2.3896 -2.3896 -2.3477 -2.3477 -1.3434 -1.3434 -1.2656 -1.2656 -1.1675 -1.1675 -0.8049 -0.8049 0.0180 0.0180 0.1636 0.1636 0.2443 0.2443 0.8929 0.8929 1.5094 1.5094 1.6056 1.6056 1.7323 1.7323 1.8504 1.8504 1.8957 1.8957 2.0110 2.0110 2.1861 2.1861 2.2487 2.2487 3.3875 3.3875 3.5368 3.5368 3.8570 3.8570 6.5981 6.5981 6.6886 6.6886 12.2472 12.2472 12.8597 12.8597 13.0763 13.0763 13.1095 13.1095 13.4685 13.4685 13.5048 13.5048 k = 0.2188 0.1263 0.6125 ( 6842 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3375 -23.3375 -23.3142 -23.3142 -18.0493 -18.0493 -17.7807 -17.7807 -17.7618 -17.7618 -17.6410 -17.6410 -17.4404 -17.4404 -17.4045 -17.4045 -7.0717 -7.0717 -7.0121 -7.0121 -6.8287 -6.8287 -6.7977 -6.7977 -6.7391 -6.7391 -6.7168 -6.7168 -2.3945 -2.3945 -2.3471 -2.3471 -1.3481 -1.3481 -1.2629 -1.2629 -1.1602 -1.1602 -0.8008 -0.8008 0.0233 0.0233 0.1626 0.1626 0.2464 0.2464 0.8981 0.8981 1.4908 1.4908 1.5969 1.5969 1.7247 1.7247 1.8428 1.8428 1.8911 1.8911 2.0079 2.0079 2.1763 2.1763 2.2474 2.2474 3.3865 3.3865 3.5412 3.5412 3.8653 3.8653 6.5871 6.5871 6.6891 6.6891 12.2758 12.2758 12.8926 12.8926 13.1009 13.1009 13.1392 13.1392 13.4917 13.4917 13.5289 13.5289 k = 0.2344 0.1353 0.6125 ( 6838 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3370 -23.3370 -23.3144 -23.3144 -18.0473 -18.0473 -17.7827 -17.7827 -17.7618 -17.7618 -17.6398 -17.6398 -17.4425 -17.4425 -17.4051 -17.4051 -7.0700 -7.0700 -7.0118 -7.0118 -6.8283 -6.8283 -6.7953 -6.7953 -6.7370 -6.7370 -6.7133 -6.7133 -2.3995 -2.3995 -2.3464 -2.3464 -1.3529 -1.3529 -1.2601 -1.2601 -1.1525 -1.1525 -0.7964 -0.7964 0.0263 0.0263 0.1637 0.1637 0.2488 0.2488 0.9033 0.9033 1.4714 1.4714 1.5872 1.5872 1.7178 1.7178 1.8357 1.8357 1.8864 1.8864 2.0049 2.0049 2.1662 2.1662 2.2461 2.2461 3.3851 3.3851 3.5456 3.5456 3.8738 3.8738 6.5760 6.5760 6.6896 6.6896 12.3061 12.3061 12.9237 12.9237 13.1267 13.1267 13.1719 13.1719 13.5157 13.5157 13.5528 13.5528 k = 0.2500 0.1443 0.6125 ( 6810 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3365 -23.3365 -23.3147 -23.3147 -18.0453 -18.0453 -17.7847 -17.7847 -17.7619 -17.7619 -17.6385 -17.6385 -17.4446 -17.4446 -17.4056 -17.4056 -7.0683 -7.0683 -7.0116 -7.0116 -6.8281 -6.8281 -6.7925 -6.7925 -6.7347 -6.7347 -6.7099 -6.7099 -2.4044 -2.4044 -2.3456 -2.3456 -1.3578 -1.3578 -1.2572 -1.2572 -1.1444 -1.1444 -0.7918 -0.7918 0.0268 0.0268 0.1671 0.1671 0.2515 0.2515 0.9086 0.9086 1.4514 1.4514 1.5769 1.5769 1.7116 1.7116 1.8291 1.8291 1.8816 1.8816 2.0021 2.0021 2.1557 2.1557 2.2449 2.2449 3.3835 3.3835 3.5502 3.5502 3.8823 3.8823 6.5649 6.5649 6.6902 6.6902 12.3379 12.3379 12.9523 12.9523 13.1538 13.1538 13.2078 13.2078 13.5404 13.5404 13.5764 13.5764 k = 0.2656 0.1534 0.6125 ( 6838 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3359 -23.3359 -23.3151 -23.3151 -18.0433 -18.0433 -17.7866 -17.7866 -17.7620 -17.7620 -17.6374 -17.6374 -17.4469 -17.4469 -17.4062 -17.4062 -7.0666 -7.0666 -7.0114 -7.0114 -6.8280 -6.8280 -6.7897 -6.7897 -6.7324 -6.7324 -6.7067 -6.7067 -2.4095 -2.4095 -2.3449 -2.3449 -1.3629 -1.3629 -1.2544 -1.2544 -1.1361 -1.1361 -0.7871 -0.7871 0.0248 0.0248 0.1727 0.1727 0.2544 0.2544 0.9138 0.9138 1.4309 1.4309 1.5659 1.5659 1.7061 1.7061 1.8229 1.8229 1.8765 1.8765 1.9993 1.9993 2.1449 2.1449 2.2437 2.2437 3.3816 3.3816 3.5546 3.5546 3.8906 3.8906 6.5537 6.5537 6.6906 6.6906 12.3710 12.3710 12.9778 12.9778 13.1819 13.1819 13.2466 13.2466 13.5655 13.5655 13.5991 13.5991 k = 0.2812 0.1624 0.6125 ( 6838 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3354 -23.3354 -23.3154 -23.3154 -18.0413 -18.0413 -17.7884 -17.7884 -17.7620 -17.7620 -17.6363 -17.6363 -17.4491 -17.4491 -17.4066 -17.4066 -7.0650 -7.0650 -7.0111 -7.0111 -6.8280 -6.8280 -6.7867 -6.7867 -6.7299 -6.7299 -6.7036 -6.7036 -2.4145 -2.4145 -2.3442 -2.3442 -1.3679 -1.3679 -1.2515 -1.2515 -1.1277 -1.1277 -0.7823 -0.7823 0.0208 0.0208 0.1800 0.1800 0.2575 0.2575 0.9189 0.9189 1.4103 1.4103 1.5545 1.5545 1.7014 1.7014 1.8172 1.8172 1.8714 1.8714 1.9969 1.9969 2.1340 2.1340 2.2425 2.2425 3.3795 3.3795 3.5591 3.5591 3.8988 3.8988 6.5427 6.5427 6.6911 6.6911 12.4052 12.4052 12.9999 12.9999 13.2108 13.2108 13.2880 13.2880 13.5907 13.5907 13.6207 13.6207 k = 0.2969 0.1714 0.6125 ( 6834 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3348 -23.3348 -23.3157 -23.3157 -18.0394 -18.0394 -17.7902 -17.7902 -17.7621 -17.7621 -17.6353 -17.6353 -17.4513 -17.4513 -17.4070 -17.4070 -7.0634 -7.0634 -7.0109 -7.0109 -6.8281 -6.8281 -6.7837 -6.7837 -6.7273 -6.7273 -6.7008 -6.7008 -2.4193 -2.4193 -2.3435 -2.3435 -1.3728 -1.3728 -1.2487 -1.2487 -1.1192 -1.1192 -0.7774 -0.7774 0.0151 0.0151 0.1885 0.1885 0.2609 0.2609 0.9238 0.9238 1.3899 1.3899 1.5428 1.5428 1.6973 1.6973 1.8120 1.8120 1.8662 1.8662 1.9946 1.9946 2.1231 2.1231 2.2413 2.2413 3.3774 3.3774 3.5635 3.5635 3.9068 3.9068 6.5320 6.5320 6.6917 6.6917 12.4404 12.4404 13.0186 13.0186 13.2405 13.2405 13.3313 13.3313 13.6157 13.6157 13.6409 13.6409 k = 0.3125 0.1804 0.6125 ( 6822 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3343 -23.3343 -23.3161 -23.3161 -18.0374 -18.0374 -17.7918 -17.7918 -17.7622 -17.7622 -17.6343 -17.6343 -17.4535 -17.4535 -17.4074 -17.4074 -7.0618 -7.0618 -7.0106 -7.0106 -6.8282 -6.8282 -6.7808 -6.7808 -6.7246 -6.7246 -6.6982 -6.6982 -2.4241 -2.4241 -2.3428 -2.3428 -1.3776 -1.3776 -1.2459 -1.2459 -1.1108 -1.1108 -0.7724 -0.7724 0.0084 0.0084 0.1977 0.1977 0.2647 0.2647 0.9286 0.9286 1.3698 1.3698 1.5312 1.5312 1.6938 1.6938 1.8074 1.8074 1.8610 1.8610 1.9925 1.9925 2.1122 2.1122 2.2402 2.2402 3.3751 3.3751 3.5677 3.5677 3.9144 3.9144 6.5217 6.5217 6.6922 6.6922 12.4762 12.4762 13.0339 13.0339 13.2707 13.2707 13.3759 13.3759 13.6399 13.6399 13.6593 13.6593 k = 0.3281 0.1894 0.6125 ( 6820 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3337 -23.3337 -23.3165 -23.3165 -18.0356 -18.0356 -17.7933 -17.7933 -17.7622 -17.7622 -17.6335 -17.6335 -17.4557 -17.4557 -17.4078 -17.4078 -7.0603 -7.0603 -7.0104 -7.0104 -6.8283 -6.8283 -6.7779 -6.7779 -6.7219 -6.7219 -6.6959 -6.6959 -2.4286 -2.4286 -2.3422 -2.3422 -1.3822 -1.3822 -1.2432 -1.2432 -1.1026 -1.1026 -0.7675 -0.7675 0.0009 0.0009 0.2069 0.2069 0.2689 0.2689 0.9331 0.9331 1.3503 1.3503 1.5197 1.5197 1.6908 1.6908 1.8033 1.8033 1.8559 1.8559 1.9907 1.9907 2.1016 2.1016 2.2392 2.2392 3.3728 3.3728 3.5718 3.5718 3.9217 3.9217 6.5118 6.5118 6.6927 6.6927 12.5125 12.5125 13.0460 13.0460 13.3013 13.3013 13.4208 13.4208 13.6630 13.6630 13.6757 13.6757 k = 0.3438 0.1985 0.6125 ( 6828 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3331 -23.3331 -23.3168 -23.3168 -18.0338 -18.0338 -17.7947 -17.7947 -17.7623 -17.7623 -17.6328 -17.6328 -17.4577 -17.4577 -17.4081 -17.4081 -7.0589 -7.0589 -7.0102 -7.0102 -6.8284 -6.8284 -6.7752 -6.7752 -6.7191 -6.7191 -6.6939 -6.6939 -2.4329 -2.4329 -2.3416 -2.3416 -1.3866 -1.3866 -1.2407 -1.2407 -1.0948 -1.0948 -0.7626 -0.7626 -0.0069 -0.0069 0.2156 0.2156 0.2734 0.2734 0.9372 0.9372 1.3317 1.3317 1.5086 1.5086 1.6882 1.6882 1.7996 1.7996 1.8509 1.8509 1.9890 1.9890 2.0912 2.0912 2.2381 2.2381 3.3705 3.3705 3.5756 3.5756 3.9285 3.9285 6.5024 6.5024 6.6931 6.6931 12.5489 12.5489 13.0549 13.0549 13.3319 13.3319 13.4652 13.4652 13.6840 13.6840 13.6905 13.6905 k = 0.3594 0.2075 0.6125 ( 6824 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3326 -23.3326 -23.3172 -23.3172 -18.0321 -18.0321 -17.7960 -17.7960 -17.7624 -17.7624 -17.6321 -17.6321 -17.4597 -17.4597 -17.4084 -17.4084 -7.0575 -7.0575 -7.0099 -7.0099 -6.8285 -6.8285 -6.7726 -6.7726 -6.7162 -6.7162 -6.6922 -6.6922 -2.4369 -2.4369 -2.3410 -2.3410 -1.3906 -1.3906 -1.2383 -1.2383 -1.0873 -1.0873 -0.7579 -0.7579 -0.0147 -0.0147 0.2236 0.2236 0.2784 0.2784 0.9411 0.9411 1.3142 1.3142 1.4980 1.4980 1.6860 1.6860 1.7964 1.7964 1.8461 1.8461 1.9876 1.9876 2.0813 2.0813 2.2372 2.2372 3.3683 3.3683 3.5791 3.5791 3.9348 3.9348 6.4937 6.4937 6.6936 6.6936 12.5852 12.5852 13.0608 13.0608 13.3624 13.3624 13.5084 13.5084 13.6990 13.6990 13.7069 13.7069 k = 0.3750 0.2165 0.6125 ( 6832 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3320 -23.3320 -23.3176 -23.3176 -18.0306 -18.0306 -17.7972 -17.7972 -17.7624 -17.7624 -17.6315 -17.6315 -17.4615 -17.4615 -17.4086 -17.4086 -7.0563 -7.0563 -7.0097 -7.0097 -6.8287 -6.8287 -6.7703 -6.7703 -6.7134 -6.7134 -6.6908 -6.6908 -2.4407 -2.4407 -2.3405 -2.3405 -1.3944 -1.3944 -1.2361 -1.2361 -1.0804 -1.0804 -0.7535 -0.7535 -0.0222 -0.0222 0.2305 0.2305 0.2838 0.2838 0.9446 0.9446 1.2979 1.2979 1.4881 1.4881 1.6842 1.6842 1.7937 1.7937 1.8415 1.8415 1.9864 1.9864 2.0719 2.0719 2.2363 2.2363 3.3661 3.3661 3.5824 3.5824 3.9405 3.9405 6.4857 6.4857 6.6940 6.6940 12.6209 12.6209 13.0637 13.0637 13.3924 13.3924 13.5497 13.5497 13.7081 13.7081 13.7243 13.7243 k = 0.3906 0.2255 0.6125 ( 6828 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3315 -23.3315 -23.3180 -23.3180 -18.0292 -18.0292 -17.7982 -17.7982 -17.7625 -17.7625 -17.6311 -17.6311 -17.4632 -17.4632 -17.4088 -17.4088 -7.0552 -7.0552 -7.0096 -7.0096 -6.8288 -6.8288 -6.7682 -6.7682 -6.7105 -6.7105 -6.6898 -6.6898 -2.4440 -2.4440 -2.3400 -2.3400 -1.3978 -1.3978 -1.2340 -1.2340 -1.0740 -1.0740 -0.7493 -0.7493 -0.0294 -0.0294 0.2364 0.2364 0.2894 0.2894 0.9477 0.9477 1.2832 1.2832 1.4792 1.4792 1.6827 1.6827 1.7915 1.7915 1.8373 1.8373 1.9854 1.9854 2.0632 2.0632 2.2356 2.2356 3.3641 3.3641 3.5853 3.5853 3.9457 3.9457 6.4785 6.4785 6.6944 6.6944 12.6557 12.6557 13.0639 13.0639 13.4216 13.4216 13.5883 13.5883 13.7140 13.7140 13.7397 13.7397 k = 0.4062 0.2345 0.6125 ( 6828 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3310 -23.3310 -23.3183 -23.3183 -18.0279 -18.0279 -17.7991 -17.7991 -17.7625 -17.7625 -17.6306 -17.6306 -17.4646 -17.4646 -17.4090 -17.4090 -7.0543 -7.0543 -7.0094 -7.0094 -6.8289 -6.8289 -6.7664 -6.7664 -6.7077 -6.7077 -6.6892 -6.6892 -2.4470 -2.4470 -2.3396 -2.3396 -1.4007 -1.4007 -1.2322 -1.2322 -1.0683 -1.0683 -0.7455 -0.7455 -0.0359 -0.0359 0.2411 0.2411 0.2950 0.2950 0.9503 0.9503 1.2701 1.2701 1.4711 1.4711 1.6814 1.6814 1.7896 1.7896 1.8335 1.8335 1.9845 1.9845 2.0554 2.0554 2.2349 2.2349 3.3623 3.3623 3.5879 3.5879 3.9502 3.9502 6.4721 6.4721 6.6948 6.6948 12.6890 12.6890 13.0616 13.0616 13.4496 13.4496 13.6237 13.6237 13.7171 13.7171 13.7525 13.7525 k = 0.4219 0.2436 0.6125 ( 6826 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3306 -23.3306 -23.3186 -23.3186 -18.0268 -18.0268 -17.7999 -17.7999 -17.7625 -17.7625 -17.6303 -17.6303 -17.4659 -17.4659 -17.4091 -17.4091 -7.0534 -7.0534 -7.0092 -7.0092 -6.8289 -6.8289 -6.7648 -6.7648 -6.7050 -6.7050 -6.6889 -6.6889 -2.4496 -2.4496 -2.3392 -2.3392 -1.4033 -1.4033 -1.2306 -1.2306 -1.0633 -1.0633 -0.7421 -0.7421 -0.0417 -0.0417 0.2448 0.2448 0.3003 0.3003 0.9526 0.9526 1.2587 1.2587 1.4641 1.4641 1.6804 1.6804 1.7882 1.7882 1.8301 1.8301 1.9838 1.9838 2.0485 2.0485 2.2343 2.2343 3.3607 3.3607 3.5902 3.5902 3.9541 3.9541 6.4666 6.4666 6.6951 6.6951 12.7202 12.7202 13.0571 13.0571 13.4758 13.4758 13.6556 13.6556 13.7176 13.7176 13.7625 13.7625 k = 0.4375 0.2526 0.6125 ( 6832 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3302 -23.3302 -23.3189 -23.3189 -18.0259 -18.0259 -17.8005 -17.8005 -17.7626 -17.7626 -17.6300 -17.6300 -17.4670 -17.4670 -17.4092 -17.4092 -7.0528 -7.0528 -7.0091 -7.0091 -6.8290 -6.8290 -6.7635 -6.7635 -6.7025 -6.7025 -6.6889 -6.6889 -2.4518 -2.4518 -2.3389 -2.3389 -1.4054 -1.4054 -1.2293 -1.2293 -1.0591 -1.0591 -0.7392 -0.7392 -0.0466 -0.0466 0.2477 0.2477 0.3051 0.3051 0.9544 0.9544 1.2493 1.2493 1.4583 1.4583 1.6796 1.6796 1.7870 1.7870 1.8273 1.8273 1.9832 1.9832 2.0426 2.0426 2.2338 2.2338 3.3593 3.3593 3.5920 3.5920 3.9573 3.9573 6.4621 6.4621 6.6953 6.6953 12.7485 12.7485 13.0510 13.0510 13.4997 13.4997 13.6833 13.6833 13.7160 13.7160 13.7693 13.7693 k = 0.4531 0.2616 0.6125 ( 6812 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3299 -23.3299 -23.3192 -23.3192 -18.0252 -18.0252 -17.8010 -17.8010 -17.7626 -17.7626 -17.6298 -17.6298 -17.4678 -17.4678 -17.4093 -17.4093 -7.0522 -7.0522 -7.0090 -7.0090 -6.8291 -6.8291 -6.7624 -6.7624 -6.7002 -6.7002 -6.6893 -6.6893 -2.4535 -2.4535 -2.3386 -2.3386 -1.4071 -1.4071 -1.2282 -1.2282 -1.0558 -1.0558 -0.7369 -0.7369 -0.0505 -0.0505 0.2499 0.2499 0.3090 0.3090 0.9559 0.9559 1.2418 1.2418 1.4537 1.4537 1.6790 1.6790 1.7862 1.7862 1.8250 1.8250 1.9829 1.9829 2.0380 2.0380 2.2335 2.2335 3.3583 3.3583 3.5935 3.5935 3.9599 3.9599 6.4585 6.4585 6.6955 6.6955 12.7729 12.7729 13.0442 13.0442 13.5204 13.5204 13.7060 13.7060 13.7137 13.7137 13.7730 13.7730 k = 0.4688 0.2706 0.6125 ( 6812 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3296 -23.3296 -23.3194 -23.3194 -18.0247 -18.0247 -17.8013 -17.8013 -17.7626 -17.7626 -17.6297 -17.6297 -17.4684 -17.4684 -17.4094 -17.4094 -7.0518 -7.0518 -7.0090 -7.0090 -6.8291 -6.8291 -6.7617 -6.7617 -6.6981 -6.6981 -6.6899 -6.6899 -2.4547 -2.4547 -2.3384 -2.3384 -1.4083 -1.4083 -1.2275 -1.2275 -1.0534 -1.0534 -0.7352 -0.7352 -0.0534 -0.0534 0.2513 0.2513 0.3120 0.3120 0.9569 0.9569 1.2365 1.2365 1.4504 1.4504 1.6786 1.6786 1.7857 1.7857 1.8234 1.8234 1.9826 1.9826 2.0346 2.0346 2.2332 2.2332 3.3575 3.3575 3.5945 3.5945 3.9617 3.9617 6.4560 6.4560 6.6957 6.6957 12.7921 12.7921 13.0376 13.0376 13.5367 13.5367 13.7083 13.7083 13.7266 13.7266 13.7737 13.7737 k = 0.4844 0.2797 0.6125 ( 6804 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3295 -23.3295 -23.3195 -23.3195 -18.0244 -18.0244 -17.8015 -17.8015 -17.7626 -17.7626 -17.6296 -17.6296 -17.4688 -17.4688 -17.4094 -17.4094 -7.0516 -7.0516 -7.0089 -7.0089 -6.8291 -6.8291 -6.7613 -6.7613 -6.6966 -6.6966 -6.6906 -6.6906 -2.4554 -2.4554 -2.3383 -2.3383 -1.4090 -1.4090 -1.2270 -1.2270 -1.0520 -1.0520 -0.7342 -0.7342 -0.0551 -0.0551 0.2522 0.2522 0.3138 0.3138 0.9575 0.9575 1.2332 1.2332 1.4484 1.4484 1.6784 1.6784 1.7853 1.7853 1.8224 1.8224 1.9824 1.9824 2.0325 2.0325 2.2331 2.2331 3.3571 3.3571 3.5951 3.5951 3.9628 3.9628 6.4544 6.4544 6.6958 6.6958 12.8046 12.8046 13.0328 13.0328 13.5474 13.5474 13.7054 13.7054 13.7398 13.7398 13.7720 13.7720 k = 0.5000 0.2887 0.6125 ( 6816 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3294 -23.3294 -23.3195 -23.3195 -18.0243 -18.0243 -17.8016 -17.8016 -17.7626 -17.7626 -17.6296 -17.6296 -17.4689 -17.4689 -17.4094 -17.4094 -7.0515 -7.0515 -7.0089 -7.0089 -6.8291 -6.8291 -6.7611 -6.7611 -6.6960 -6.6960 -6.6909 -6.6909 -2.4557 -2.4557 -2.3383 -2.3383 -1.4093 -1.4093 -1.2269 -1.2269 -1.0515 -1.0515 -0.7338 -0.7338 -0.0557 -0.0557 0.2525 0.2525 0.3144 0.3144 0.9576 0.9576 1.2322 1.2322 1.4477 1.4477 1.6783 1.6783 1.7852 1.7852 1.8220 1.8220 1.9824 1.9824 2.0318 2.0318 2.2330 2.2330 3.3569 3.3569 3.5953 3.5953 3.9631 3.9631 6.4539 6.4539 6.6958 6.6958 12.8089 12.8089 13.0311 13.0311 13.5511 13.5511 13.7042 13.7042 13.7452 13.7452 13.7706 13.7706 k = 0.5000 0.2887 0.6125 ( 6816 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3294 -23.3294 -23.3195 -23.3195 -18.0243 -18.0243 -17.8016 -17.8016 -17.7626 -17.7626 -17.6296 -17.6296 -17.4689 -17.4689 -17.4094 -17.4094 -7.0515 -7.0515 -7.0089 -7.0089 -6.8291 -6.8291 -6.7611 -6.7611 -6.6960 -6.6960 -6.6909 -6.6909 -2.4557 -2.4557 -2.3383 -2.3383 -1.4093 -1.4093 -1.2269 -1.2269 -1.0515 -1.0515 -0.7338 -0.7338 -0.0557 -0.0557 0.2525 0.2525 0.3144 0.3144 0.9576 0.9576 1.2322 1.2322 1.4477 1.4477 1.6783 1.6783 1.7852 1.7852 1.8220 1.8220 1.9824 1.9824 2.0318 2.0318 2.2330 2.2330 3.3569 3.3569 3.5953 3.5953 3.9631 3.9631 6.4539 6.4539 6.6958 6.6958 12.8089 12.8089 13.0311 13.0311 13.5511 13.5511 13.7042 13.7042 13.7452 13.7452 13.7706 13.7706 k = 0.4912 0.3039 0.6125 ( 6814 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3294 -23.3294 -23.3195 -23.3195 -18.0242 -18.0242 -17.8016 -17.8016 -17.7627 -17.7627 -17.6295 -17.6295 -17.4688 -17.4688 -17.4095 -17.4095 -7.0514 -7.0514 -7.0090 -7.0090 -6.8290 -6.8290 -6.7610 -6.7610 -6.6963 -6.6963 -6.6907 -6.6907 -2.4555 -2.4555 -2.3386 -2.3386 -1.4089 -1.4089 -1.2272 -1.2272 -1.0515 -1.0515 -0.7338 -0.7338 -0.0549 -0.0549 0.2521 0.2521 0.3142 0.3142 0.9578 0.9578 1.2325 1.2325 1.4476 1.4476 1.6775 1.6775 1.7853 1.7853 1.8221 1.8221 1.9807 1.9807 2.0331 2.0331 2.2326 2.2326 3.3573 3.3573 3.5952 3.5952 3.9632 3.9632 6.4543 6.4543 6.6953 6.6953 12.8104 12.8104 13.0317 13.0317 13.5502 13.5502 13.7038 13.7038 13.7458 13.7458 13.7718 13.7718 k = 0.4825 0.3191 0.6125 ( 6818 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3293 -23.3293 -23.3196 -23.3196 -18.0241 -18.0241 -17.8015 -17.8015 -17.7631 -17.7631 -17.6294 -17.6294 -17.4686 -17.4686 -17.4098 -17.4098 -7.0512 -7.0512 -7.0091 -7.0091 -6.8287 -6.8287 -6.7608 -6.7608 -6.6970 -6.6970 -6.6901 -6.6901 -2.4551 -2.4551 -2.3394 -2.3394 -1.4078 -1.4078 -1.2280 -1.2280 -1.0517 -1.0517 -0.7336 -0.7336 -0.0527 -0.0527 0.2509 0.2509 0.3135 0.3135 0.9581 0.9581 1.2335 1.2335 1.4473 1.4473 1.6754 1.6754 1.7855 1.7855 1.8221 1.8221 1.9761 1.9761 2.0366 2.0366 2.2316 2.2316 3.3587 3.3587 3.5947 3.5947 3.9634 3.9634 6.4555 6.4555 6.6937 6.6937 12.8149 12.8149 13.0337 13.0337 13.5475 13.5475 13.7024 13.7024 13.7476 13.7476 13.7754 13.7754 k = 0.4737 0.3343 0.6125 ( 6822 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3293 -23.3293 -23.3196 -23.3196 -18.0239 -18.0239 -17.8013 -17.8013 -17.7637 -17.7637 -17.6291 -17.6291 -17.4683 -17.4683 -17.4103 -17.4103 -7.0507 -7.0507 -7.0094 -7.0094 -6.8282 -6.8282 -6.7605 -6.7605 -6.6981 -6.6981 -6.6893 -6.6893 -2.4543 -2.4543 -2.3408 -2.3408 -1.4060 -1.4060 -1.2295 -1.2295 -1.0519 -1.0519 -0.7333 -0.7333 -0.0490 -0.0490 0.2489 0.2489 0.3124 0.3124 0.9587 0.9587 1.2352 1.2352 1.4468 1.4468 1.6718 1.6718 1.7858 1.7858 1.8222 1.8222 1.9694 1.9694 2.0414 2.0414 2.2300 2.2300 3.3608 3.3608 3.5939 3.5939 3.9637 3.9637 6.4574 6.4574 6.6910 6.6910 12.8223 12.8223 13.0369 13.0369 13.5430 13.5430 13.7006 13.7006 13.7506 13.7506 13.7809 13.7809 k = 0.4649 0.3494 0.6125 ( 6830 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3291 -23.3291 -23.3197 -23.3197 -18.0236 -18.0236 -17.8011 -17.8011 -17.7645 -17.7645 -17.6288 -17.6288 -17.4678 -17.4678 -17.4110 -17.4110 -7.0501 -7.0501 -7.0098 -7.0098 -6.8275 -6.8275 -6.7600 -6.7600 -6.6993 -6.6993 -6.6884 -6.6884 -2.4531 -2.4531 -2.3428 -2.3428 -1.4036 -1.4036 -1.2315 -1.2315 -1.0521 -1.0521 -0.7330 -0.7330 -0.0438 -0.0438 0.2461 0.2461 0.3109 0.3109 0.9595 0.9595 1.2376 1.2376 1.4461 1.4461 1.6668 1.6668 1.7863 1.7863 1.8224 1.8224 1.9612 1.9612 2.0470 2.0470 2.2276 2.2276 3.3638 3.3638 3.5927 3.5927 3.9641 3.9641 6.4600 6.4600 6.6874 6.6874 12.8326 12.8326 13.0414 13.0414 13.5366 13.5366 13.6986 13.6986 13.7548 13.7548 13.7879 13.7879 k = 0.4561 0.3646 0.6125 ( 6824 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3290 -23.3290 -23.3198 -23.3198 -18.0232 -18.0232 -17.8008 -17.8008 -17.7656 -17.7656 -17.6284 -17.6284 -17.4672 -17.4672 -17.4118 -17.4118 -7.0494 -7.0494 -7.0103 -7.0103 -6.8267 -6.8267 -6.7594 -6.7594 -6.7006 -6.7006 -6.6875 -6.6875 -2.4516 -2.4516 -2.3453 -2.3453 -1.4005 -1.4005 -1.2340 -1.2340 -1.0524 -1.0524 -0.7325 -0.7325 -0.0373 -0.0373 0.2425 0.2425 0.3090 0.3090 0.9605 0.9605 1.2407 1.2407 1.4451 1.4451 1.6606 1.6606 1.7870 1.7870 1.8226 1.8226 1.9523 1.9523 2.0531 2.0531 2.2247 2.2247 3.3675 3.3675 3.5914 3.5914 3.9646 3.9646 6.4634 6.4634 6.6828 6.6828 12.8457 12.8457 13.0471 13.0471 13.5284 13.5284 13.6966 13.6966 13.7601 13.7601 13.7959 13.7959 k = 0.4474 0.3798 0.6125 ( 6812 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3288 -23.3288 -23.3200 -23.3200 -18.0227 -18.0227 -17.8005 -17.8005 -17.7668 -17.7668 -17.6280 -17.6280 -17.4665 -17.4665 -17.4128 -17.4128 -7.0485 -7.0485 -7.0109 -7.0109 -6.8257 -6.8257 -6.7586 -6.7586 -6.7020 -6.7020 -6.6866 -6.6866 -2.4498 -2.4498 -2.3482 -2.3482 -1.3968 -1.3968 -1.2369 -1.2369 -1.0528 -1.0528 -0.7319 -0.7319 -0.0296 -0.0296 0.2381 0.2381 0.3069 0.3069 0.9616 0.9616 1.2445 1.2445 1.4439 1.4439 1.6533 1.6533 1.7879 1.7879 1.8228 1.8228 1.9427 1.9427 2.0593 2.0593 2.2213 2.2213 3.3717 3.3717 3.5898 3.5898 3.9652 3.9652 6.4675 6.4675 6.6774 6.6774 12.8615 12.8615 13.0539 13.0539 13.5183 13.5183 13.6950 13.6950 13.7663 13.7663 13.8047 13.8047 k = 0.4386 0.3950 0.6125 ( 6804 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3286 -23.3286 -23.3202 -23.3202 -18.0222 -18.0222 -17.8001 -17.8001 -17.7682 -17.7682 -17.6275 -17.6275 -17.4656 -17.4656 -17.4139 -17.4139 -7.0475 -7.0475 -7.0115 -7.0115 -6.8245 -6.8245 -6.7577 -6.7577 -6.7035 -6.7035 -6.6857 -6.6857 -2.4477 -2.4477 -2.3515 -2.3515 -1.3926 -1.3926 -1.2403 -1.2403 -1.0531 -1.0531 -0.7312 -0.7312 -0.0207 -0.0207 0.2330 0.2330 0.3046 0.3046 0.9629 0.9629 1.2490 1.2490 1.4423 1.4423 1.6449 1.6449 1.7890 1.7890 1.8230 1.8230 1.9327 1.9327 2.0657 2.0657 2.2172 2.2172 3.3764 3.3764 3.5881 3.5881 3.9659 3.9659 6.4723 6.4723 6.6711 6.6711 12.8798 12.8798 13.0618 13.0618 13.5063 13.5063 13.6938 13.6938 13.7735 13.7735 13.8139 13.8139 k = 0.4298 0.4102 0.6125 ( 6812 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3284 -23.3284 -23.3204 -23.3204 -18.0217 -18.0217 -17.7996 -17.7996 -17.7697 -17.7697 -17.6270 -17.6270 -17.4647 -17.4647 -17.4151 -17.4151 -7.0464 -7.0464 -7.0122 -7.0122 -6.8233 -6.8233 -6.7567 -6.7567 -6.7051 -6.7051 -6.6849 -6.6849 -2.4453 -2.4453 -2.3553 -2.3553 -1.3879 -1.3879 -1.2441 -1.2441 -1.0535 -1.0535 -0.7305 -0.7305 -0.0108 -0.0108 0.2272 0.2272 0.3021 0.3021 0.9643 0.9643 1.2540 1.2540 1.4401 1.4401 1.6357 1.6357 1.7902 1.7902 1.8233 1.8233 1.9225 1.9225 2.0721 2.0721 2.2126 2.2126 3.3812 3.3812 3.5861 3.5861 3.9667 3.9667 6.4776 6.4776 6.6640 6.6640 12.9005 12.9005 13.0706 13.0706 13.4924 13.4924 13.6929 13.6929 13.7814 13.7814 13.8232 13.8232 k = 0.4211 0.4254 0.6125 ( 6806 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3281 -23.3281 -23.3206 -23.3206 -18.0211 -18.0211 -17.7990 -17.7990 -17.7713 -17.7713 -17.6265 -17.6265 -17.4637 -17.4637 -17.4165 -17.4165 -7.0452 -7.0452 -7.0130 -7.0130 -6.8221 -6.8221 -6.7556 -6.7556 -6.7067 -6.7067 -6.6840 -6.6840 -2.4427 -2.4427 -2.3594 -2.3594 -1.3828 -1.3828 -1.2483 -1.2483 -1.0539 -1.0539 -0.7297 -0.7297 0.0000 0.0000 0.2206 0.2206 0.2994 0.2994 0.9657 0.9657 1.2598 1.2598 1.4374 1.4374 1.6259 1.6259 1.7918 1.7918 1.8235 1.8235 1.9124 1.9124 2.0785 2.0785 2.2075 2.2075 3.3863 3.3863 3.5841 3.5841 3.9675 3.9675 6.4835 6.4835 6.6563 6.6563 12.9233 12.9233 13.0802 13.0802 13.4765 13.4765 13.6926 13.6926 13.7899 13.7899 13.8324 13.8324 k = 0.4123 0.4406 0.6125 ( 6818 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3278 -23.3278 -23.3208 -23.3208 -18.0205 -18.0205 -17.7984 -17.7984 -17.7730 -17.7730 -17.6259 -17.6259 -17.4626 -17.4626 -17.4179 -17.4179 -7.0439 -7.0439 -7.0139 -7.0139 -6.8208 -6.8208 -6.7543 -6.7543 -6.7083 -6.7083 -6.6832 -6.6832 -2.4398 -2.4398 -2.3638 -2.3638 -1.3774 -1.3774 -1.2527 -1.2527 -1.0543 -1.0543 -0.7289 -0.7289 0.0114 0.0114 0.2135 0.2135 0.2967 0.2967 0.9671 0.9671 1.2662 1.2662 1.4340 1.4340 1.6159 1.6159 1.7937 1.7937 1.8237 1.8237 1.9022 1.9022 2.0850 2.0850 2.2020 2.2020 3.3914 3.3914 3.5821 3.5821 3.9684 3.9684 6.4898 6.4898 6.6479 6.6479 12.9481 12.9481 13.0905 13.0905 13.4585 13.4585 13.6926 13.6926 13.7989 13.7989 13.8413 13.8413 k = 0.4035 0.4558 0.6125 ( 6830 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3275 -23.3275 -23.3211 -23.3211 -18.0200 -18.0200 -17.7976 -17.7976 -17.7748 -17.7748 -17.6255 -17.6255 -17.4616 -17.4616 -17.4194 -17.4194 -7.0426 -7.0426 -7.0147 -7.0147 -6.8196 -6.8196 -6.7530 -6.7530 -6.7100 -6.7100 -6.6824 -6.6824 -2.4367 -2.4367 -2.3684 -2.3684 -1.3719 -1.3719 -1.2574 -1.2574 -1.0546 -1.0546 -0.7281 -0.7281 0.0234 0.0234 0.2059 0.2059 0.2941 0.2941 0.9685 0.9685 1.2732 1.2732 1.4298 1.4298 1.6059 1.6059 1.7958 1.7958 1.8238 1.8238 1.8924 1.8924 2.0914 2.0914 2.1961 2.1961 3.3963 3.3963 3.5801 3.5801 3.9693 3.9693 6.4966 6.4966 6.6391 6.6391 12.9745 12.9745 13.1014 13.1014 13.4386 13.4386 13.6929 13.6929 13.8082 13.8082 13.8497 13.8497 k = 0.3947 0.4710 0.6125 ( 6828 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3271 -23.3271 -23.3214 -23.3214 -18.0194 -18.0194 -17.7968 -17.7968 -17.7766 -17.7766 -17.6250 -17.6250 -17.4605 -17.4605 -17.4208 -17.4208 -7.0413 -7.0413 -7.0156 -7.0156 -6.8184 -6.8184 -6.7515 -6.7515 -6.7117 -6.7117 -6.6817 -6.6817 -2.4334 -2.4334 -2.3732 -2.3732 -1.3663 -1.3663 -1.2621 -1.2621 -1.0549 -1.0549 -0.7272 -0.7272 0.0356 0.0356 0.1979 0.1979 0.2914 0.2914 0.9699 0.9699 1.2808 1.2808 1.4246 1.4246 1.5963 1.5963 1.7982 1.7982 1.8239 1.8239 1.8828 1.8828 2.0979 2.0979 2.1900 2.1900 3.4009 3.4009 3.5782 3.5782 3.9702 3.9702 6.5039 6.5039 6.6300 6.6300 13.0024 13.0024 13.1127 13.1127 13.4167 13.4167 13.6935 13.6935 13.8176 13.8176 13.8573 13.8573 k = 0.3860 0.4862 0.6125 ( 6820 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3268 -23.3268 -23.3217 -23.3217 -18.0188 -18.0188 -17.7959 -17.7959 -17.7785 -17.7785 -17.6246 -17.6246 -17.4594 -17.4594 -17.4222 -17.4222 -7.0401 -7.0401 -7.0165 -7.0165 -6.8174 -6.8174 -6.7500 -6.7500 -6.7133 -6.7133 -6.6810 -6.6810 -2.4299 -2.4299 -2.3780 -2.3780 -1.3607 -1.3607 -1.2668 -1.2668 -1.0551 -1.0551 -0.7263 -0.7263 0.0477 0.0477 0.1897 0.1897 0.2889 0.2889 0.9712 0.9712 1.2889 1.2889 1.4184 1.4184 1.5876 1.5876 1.8010 1.8010 1.8240 1.8240 1.8737 1.8737 2.1044 2.1044 2.1837 2.1837 3.4051 3.4051 3.5766 3.5766 3.9711 3.9711 6.5114 6.5114 6.6207 6.6207 13.0314 13.0314 13.1242 13.1242 13.3928 13.3928 13.6943 13.6943 13.8270 13.8270 13.8640 13.8640 k = 0.3772 0.5014 0.6125 ( 6832 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3264 -23.3264 -23.3221 -23.3221 -18.0183 -18.0183 -17.7949 -17.7949 -17.7803 -17.7803 -17.6242 -17.6242 -17.4584 -17.4584 -17.4236 -17.4236 -7.0388 -7.0388 -7.0174 -7.0174 -6.8164 -6.8164 -6.7485 -6.7485 -6.7149 -6.7149 -6.6804 -6.6804 -2.4262 -2.4262 -2.3829 -2.3829 -1.3554 -1.3554 -1.2713 -1.2713 -1.0553 -1.0553 -0.7256 -0.7256 0.0596 0.0596 0.1815 0.1815 0.2865 0.2865 0.9724 0.9724 1.2975 1.2975 1.4110 1.4110 1.5800 1.5800 1.8041 1.8041 1.8241 1.8241 1.8651 1.8651 2.1107 2.1107 2.1772 2.1772 3.4087 3.4087 3.5751 3.5751 3.9719 3.9719 6.5192 6.5192 6.6112 6.6112 13.0611 13.0611 13.1358 13.1358 13.3670 13.3670 13.6951 13.6951 13.8361 13.8361 13.8694 13.8694 k = 0.3684 0.5166 0.6125 ( 6824 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3260 -23.3260 -23.3225 -23.3225 -18.0179 -18.0179 -17.7938 -17.7938 -17.7821 -17.7821 -17.6239 -17.6239 -17.4575 -17.4575 -17.4248 -17.4248 -7.0377 -7.0377 -7.0182 -7.0182 -6.8157 -6.8157 -6.7471 -6.7471 -6.7164 -6.7164 -6.6799 -6.6799 -2.4224 -2.4224 -2.3878 -2.3878 -1.3505 -1.3505 -1.2755 -1.2755 -1.0554 -1.0554 -0.7249 -0.7249 0.0707 0.0707 0.1737 0.1737 0.2845 0.2845 0.9734 0.9734 1.3064 1.3064 1.4026 1.4026 1.5737 1.5737 1.8075 1.8075 1.8241 1.8241 1.8572 1.8572 2.1170 2.1170 2.1708 2.1708 3.4117 3.4117 3.5739 3.5739 3.9726 3.9726 6.5271 6.5271 6.6019 6.6019 13.0912 13.0912 13.1472 13.1472 13.3393 13.3393 13.6960 13.6960 13.8447 13.8447 13.8734 13.8734 k = 0.3596 0.5318 0.6125 ( 6832 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3255 -23.3255 -23.3229 -23.3229 -18.0175 -18.0175 -17.7926 -17.7926 -17.7838 -17.7838 -17.6237 -17.6237 -17.4567 -17.4567 -17.4258 -17.4258 -7.0368 -7.0368 -7.0189 -7.0189 -6.8150 -6.8150 -6.7457 -6.7457 -6.7177 -6.7177 -6.6795 -6.6795 -2.4185 -2.4185 -2.3926 -2.3926 -1.3464 -1.3464 -1.2791 -1.2791 -1.0554 -1.0554 -0.7242 -0.7242 0.0805 0.0805 0.1666 0.1666 0.2827 0.2827 0.9742 0.9742 1.3153 1.3153 1.3936 1.3936 1.5689 1.5689 1.8112 1.8112 1.8240 1.8240 1.8499 1.8499 2.1231 2.1231 2.1644 2.1644 3.4141 3.4141 3.5730 3.5730 3.9733 3.9733 6.5349 6.5349 6.5928 6.5928 13.1210 13.1210 13.1583 13.1583 13.3101 13.3101 13.6968 13.6968 13.8528 13.8528 13.8758 13.8758 k = 0.3509 0.5470 0.6125 ( 6832 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3251 -23.3251 -23.3233 -23.3233 -18.0172 -18.0172 -17.7914 -17.7914 -17.7855 -17.7855 -17.6235 -17.6235 -17.4562 -17.4562 -17.4265 -17.4265 -7.0360 -7.0360 -7.0194 -7.0194 -6.8146 -6.8146 -6.7446 -6.7446 -6.7187 -6.7187 -6.6792 -6.6792 -2.4145 -2.4145 -2.3972 -2.3972 -1.3432 -1.3432 -1.2818 -1.2818 -1.0554 -1.0554 -0.7238 -0.7238 0.0884 0.0884 0.1609 0.1609 0.2813 0.2813 0.9748 0.9748 1.3238 1.3238 1.3847 1.3847 1.5656 1.5656 1.8151 1.8151 1.8237 1.8237 1.8437 1.8437 2.1288 2.1288 2.1584 2.1584 3.4157 3.4157 3.5724 3.5724 3.9738 3.9738 6.5423 6.5423 6.5844 6.5844 13.1497 13.1497 13.1690 13.1690 13.2797 13.2797 13.6975 13.6975 13.8600 13.8600 13.8765 13.8765 k = 0.3421 0.5622 0.6125 ( 6828 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3246 -23.3246 -23.3237 -23.3237 -18.0170 -18.0170 -17.7900 -17.7900 -17.7871 -17.7871 -17.6234 -17.6234 -17.4558 -17.4558 -17.4270 -17.4270 -7.0355 -7.0355 -7.0198 -7.0198 -6.8143 -6.8143 -6.7439 -6.7439 -6.7193 -6.7193 -6.6790 -6.6790 -2.4106 -2.4106 -2.4016 -2.4016 -1.3412 -1.3412 -1.2836 -1.2836 -1.0554 -1.0554 -0.7234 -0.7234 0.0934 0.0934 0.1572 0.1572 0.2805 0.2805 0.9752 0.9752 1.3307 1.3307 1.3774 1.3774 1.5637 1.5637 1.8188 1.8188 1.8232 1.8232 1.8389 1.8389 2.1336 2.1336 2.1534 2.1534 3.4167 3.4167 3.5720 3.5720 3.9741 3.9741 6.5486 6.5486 6.5776 6.5776 13.1735 13.1735 13.1807 13.1807 13.2500 13.2500 13.6980 13.6980 13.8662 13.8662 13.8753 13.8753 k = 0.3333 0.5774 0.6125 ( 6828 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3242 -23.3242 -23.3242 -23.3242 -18.0170 -18.0170 -17.7888 -17.7888 -17.7884 -17.7884 -17.6233 -17.6233 -17.4557 -17.4557 -17.4272 -17.4272 -7.0354 -7.0354 -7.0199 -7.0199 -6.8142 -6.8142 -6.7436 -6.7436 -6.7196 -6.7196 -6.6789 -6.6789 -2.4077 -2.4077 -2.4045 -2.4045 -1.3406 -1.3406 -1.2841 -1.2841 -1.0554 -1.0554 -0.7233 -0.7233 0.0951 0.0951 0.1560 0.1560 0.2802 0.2802 0.9753 0.9753 1.3336 1.3336 1.3742 1.3742 1.5631 1.5631 1.8216 1.8216 1.8217 1.8217 1.8370 1.8370 2.1358 2.1358 2.1511 2.1511 3.4170 3.4170 3.5719 3.5719 3.9742 3.9742 6.5514 6.5514 6.5746 6.5746 13.1826 13.1826 13.1908 13.1908 13.2328 13.2328 13.6981 13.6981 13.8701 13.8701 13.8731 13.8731 k = 0.3333 0.5774 0.6125 ( 6828 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3242 -23.3242 -23.3242 -23.3242 -18.0170 -18.0170 -17.7888 -17.7888 -17.7884 -17.7884 -17.6233 -17.6233 -17.4557 -17.4557 -17.4272 -17.4272 -7.0354 -7.0354 -7.0199 -7.0199 -6.8142 -6.8142 -6.7436 -6.7436 -6.7196 -6.7196 -6.6789 -6.6789 -2.4077 -2.4077 -2.4045 -2.4045 -1.3406 -1.3406 -1.2841 -1.2841 -1.0554 -1.0554 -0.7233 -0.7233 0.0951 0.0951 0.1560 0.1560 0.2802 0.2802 0.9753 0.9753 1.3336 1.3336 1.3742 1.3742 1.5631 1.5631 1.8216 1.8216 1.8217 1.8217 1.8370 1.8370 2.1358 2.1358 2.1511 2.1511 3.4170 3.4170 3.5719 3.5719 3.9742 3.9742 6.5514 6.5514 6.5746 6.5746 13.1826 13.1826 13.1908 13.1908 13.2328 13.2328 13.6981 13.6981 13.8701 13.8701 13.8731 13.8731 k = 0.3243 0.5617 0.6125 ( 6828 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3247 -23.3247 -23.3237 -23.3237 -18.0170 -18.0170 -17.7900 -17.7900 -17.7871 -17.7871 -17.6234 -17.6234 -17.4558 -17.4558 -17.4270 -17.4270 -7.0355 -7.0355 -7.0198 -7.0198 -6.8143 -6.8143 -6.7439 -6.7439 -6.7193 -6.7193 -6.6790 -6.6790 -2.4105 -2.4105 -2.4016 -2.4016 -1.3412 -1.3412 -1.2836 -1.2836 -1.0554 -1.0554 -0.7234 -0.7234 0.0936 0.0936 0.1570 0.1570 0.2805 0.2805 0.9752 0.9752 1.3306 1.3306 1.3776 1.3776 1.5637 1.5637 1.8187 1.8187 1.8232 1.8232 1.8390 1.8390 2.1336 2.1336 2.1534 2.1534 3.4167 3.4167 3.5720 3.5720 3.9741 3.9741 6.5486 6.5486 6.5775 6.5775 13.1621 13.1621 13.1945 13.1945 13.2472 13.2472 13.6979 13.6979 13.8655 13.8655 13.8758 13.8758 k = 0.3153 0.5461 0.6125 ( 6830 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3252 -23.3252 -23.3232 -23.3232 -18.0172 -18.0172 -17.7913 -17.7913 -17.7855 -17.7855 -17.6235 -17.6235 -17.4561 -17.4561 -17.4266 -17.4266 -7.0361 -7.0361 -7.0194 -7.0194 -6.8146 -6.8146 -6.7448 -6.7448 -6.7187 -6.7187 -6.6792 -6.6792 -2.4141 -2.4141 -2.3975 -2.3975 -1.3429 -1.3429 -1.2822 -1.2822 -1.0556 -1.0556 -0.7239 -0.7239 0.0898 0.0898 0.1592 0.1592 0.2815 0.2815 0.9747 0.9747 1.3237 1.3237 1.3858 1.3858 1.5654 1.5654 1.8151 1.8151 1.8239 1.8239 1.8437 1.8437 2.1293 2.1293 2.1581 2.1581 3.4159 3.4159 3.5722 3.5722 3.9737 3.9737 6.5430 6.5430 6.5839 6.5839 13.1264 13.1264 13.2002 13.2002 13.2699 13.2699 13.6972 13.6972 13.8572 13.8572 13.8782 13.8782 k = 0.3063 0.5305 0.6125 ( 6826 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3257 -23.3257 -23.3227 -23.3227 -18.0176 -18.0176 -17.7924 -17.7924 -17.7839 -17.7839 -17.6237 -17.6237 -17.4565 -17.4565 -17.4258 -17.4258 -7.0369 -7.0369 -7.0189 -7.0189 -6.8150 -6.8150 -6.7460 -6.7460 -6.7178 -6.7178 -6.6796 -6.6796 -2.4174 -2.4174 -2.3934 -2.3934 -1.3453 -1.3453 -1.2801 -1.2801 -1.0559 -1.0559 -0.7246 -0.7246 0.0849 0.0849 0.1616 0.1616 0.2831 0.2831 0.9740 0.9740 1.3157 1.3157 1.3962 1.3962 1.5680 1.5680 1.8115 1.8115 1.8243 1.8243 1.8498 1.8498 2.1247 2.1247 2.1635 2.1635 3.4146 3.4146 3.5725 3.5725 3.9729 3.9729 6.5368 6.5368 6.5914 6.5914 13.0873 13.0873 13.2043 13.2043 13.2920 13.2920 13.6959 13.6959 13.8463 13.8463 13.8792 13.8792 k = 0.2973 0.5149 0.6125 ( 6834 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3263 -23.3263 -23.3222 -23.3222 -18.0181 -18.0181 -17.7934 -17.7934 -17.7823 -17.7823 -17.6239 -17.6239 -17.4570 -17.4570 -17.4249 -17.4249 -7.0379 -7.0379 -7.0182 -7.0182 -6.8155 -6.8155 -6.7477 -6.7477 -6.7167 -6.7167 -6.6801 -6.6801 -2.4203 -2.4203 -2.3894 -2.3894 -1.3481 -1.3481 -1.2779 -1.2779 -1.0565 -1.0565 -0.7257 -0.7257 0.0797 0.0797 0.1634 0.1634 0.2851 0.2851 0.9729 0.9729 1.3082 1.3082 1.4077 1.4077 1.5714 1.5714 1.8083 1.8083 1.8247 1.8247 1.8568 1.8568 2.1203 2.1203 2.1690 2.1690 3.4129 3.4129 3.5728 3.5728 3.9717 3.9717 6.5310 6.5310 6.5991 6.5991 13.0466 13.0466 13.2066 13.2066 13.3118 13.3118 13.6937 13.6937 13.8328 13.8328 13.8785 13.8785 k = 0.2883 0.4993 0.6125 ( 6826 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3268 -23.3268 -23.3217 -23.3217 -18.0188 -18.0188 -17.7942 -17.7942 -17.7807 -17.7807 -17.6243 -17.6243 -17.4575 -17.4575 -17.4239 -17.4239 -7.0391 -7.0391 -7.0175 -7.0175 -6.8161 -6.8161 -6.7496 -6.7496 -6.7157 -6.7157 -6.6808 -6.6808 -2.4228 -2.4228 -2.3854 -2.3854 -1.3511 -1.3511 -1.2755 -1.2755 -1.0573 -1.0573 -0.7272 -0.7272 0.0747 0.0747 0.1644 0.1644 0.2874 0.2874 0.9715 0.9715 1.3018 1.3018 1.4197 1.4197 1.5757 1.5757 1.8056 1.8056 1.8253 1.8253 1.8644 1.8644 2.1164 2.1164 2.1745 2.1745 3.4111 3.4111 3.5730 3.5730 3.9702 3.9702 6.5259 6.5259 6.6068 6.6068 13.0047 13.0047 13.2069 13.2069 13.3287 13.3287 13.6904 13.6904 13.8168 13.8168 13.8761 13.8761 k = 0.2793 0.4837 0.6125 ( 6822 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3274 -23.3274 -23.3212 -23.3212 -18.0196 -18.0196 -17.7949 -17.7949 -17.7791 -17.7791 -17.6247 -17.6247 -17.4579 -17.4579 -17.4227 -17.4227 -7.0405 -7.0405 -7.0168 -7.0168 -6.8168 -6.8168 -6.7518 -6.7518 -6.7148 -6.7148 -6.6817 -6.6817 -2.4248 -2.4248 -2.3816 -2.3816 -1.3539 -1.3539 -1.2732 -1.2732 -1.0586 -1.0586 -0.7291 -0.7291 0.0701 0.0701 0.1644 0.1644 0.2896 0.2896 0.9698 0.9698 1.2969 1.2969 1.4320 1.4320 1.5806 1.5806 1.8035 1.8035 1.8260 1.8260 1.8725 1.8725 2.1131 2.1131 2.1799 2.1799 3.4091 3.4091 3.5731 3.5731 3.9682 3.9682 6.5215 6.5215 6.6143 6.6143 12.9619 12.9619 13.2050 13.2050 13.3421 13.3421 13.6854 13.6854 13.7986 13.7986 13.8719 13.8719 k = 0.2703 0.4681 0.6125 ( 6818 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3280 -23.3280 -23.3207 -23.3207 -18.0205 -18.0205 -17.7953 -17.7953 -17.7775 -17.7775 -17.6251 -17.6251 -17.4582 -17.4582 -17.4215 -17.4215 -7.0419 -7.0419 -7.0161 -7.0161 -6.8176 -6.8176 -6.7541 -6.7541 -6.7141 -6.7141 -6.6826 -6.6826 -2.4263 -2.4263 -2.3780 -2.3780 -1.3566 -1.3566 -1.2712 -1.2712 -1.0604 -1.0604 -0.7313 -0.7313 0.0663 0.0663 0.1636 0.1636 0.2917 0.2917 0.9677 0.9677 1.2938 1.2938 1.4444 1.4444 1.5860 1.5860 1.8020 1.8020 1.8269 1.8269 1.8809 1.8809 2.1105 2.1105 2.1851 2.1851 3.4070 3.4070 3.5730 3.5730 3.9659 3.9659 6.5181 6.5181 6.6215 6.6215 12.9184 12.9184 13.2010 13.2010 13.3520 13.3520 13.6782 13.6782 13.7786 13.7786 13.8659 13.8659 k = 0.2613 0.4525 0.6125 ( 6816 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3286 -23.3286 -23.3202 -23.3202 -18.0217 -18.0217 -17.7956 -17.7956 -17.7759 -17.7759 -17.6257 -17.6257 -17.4583 -17.4583 -17.4203 -17.4203 -7.0435 -7.0435 -7.0154 -7.0154 -6.8184 -6.8184 -6.7566 -6.7566 -6.7136 -6.7136 -6.6837 -6.6837 -2.4274 -2.4274 -2.3745 -2.3745 -1.3590 -1.3590 -1.2694 -1.2694 -1.0627 -1.0627 -0.7340 -0.7340 0.0632 0.0632 0.1620 0.1620 0.2932 0.2932 0.9653 0.9653 1.2928 1.2928 1.4569 1.4569 1.5920 1.5920 1.8010 1.8010 1.8280 1.8280 1.8896 1.8896 2.1087 2.1087 2.1902 2.1902 3.4049 3.4049 3.5726 3.5726 3.9629 3.9629 6.5157 6.5157 6.6284 6.6284 12.8745 12.8745 13.1950 13.1950 13.3581 13.3581 13.6676 13.6676 13.7577 13.7577 13.8580 13.8580 k = 0.2523 0.4369 0.6125 ( 6810 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3292 -23.3292 -23.3197 -23.3197 -18.0229 -18.0229 -17.7957 -17.7957 -17.7744 -17.7744 -17.6263 -17.6263 -17.4583 -17.4583 -17.4190 -17.4190 -7.0452 -7.0452 -7.0147 -7.0147 -6.8192 -6.8192 -6.7592 -6.7592 -6.7136 -6.7136 -6.6849 -6.6849 -2.4279 -2.4279 -2.3712 -2.3712 -1.3609 -1.3609 -1.2678 -1.2678 -1.0656 -1.0656 -0.7371 -0.7371 0.0609 0.0609 0.1597 0.1597 0.2942 0.2942 0.9626 0.9626 1.2939 1.2939 1.4692 1.4692 1.5985 1.5985 1.8007 1.8007 1.8295 1.8295 1.8986 1.8986 2.1077 2.1077 2.1952 2.1952 3.4029 3.4029 3.5721 3.5721 3.9595 3.9595 6.5143 6.5143 6.6350 6.6350 12.8303 12.8303 13.1868 13.1868 13.3604 13.3604 13.6522 13.6522 13.7372 13.7372 13.8483 13.8483 k = 0.2432 0.4213 0.6125 ( 6816 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3298 -23.3298 -23.3192 -23.3192 -18.0243 -18.0243 -17.7957 -17.7957 -17.7730 -17.7730 -17.6269 -17.6269 -17.4581 -17.4581 -17.4178 -17.4178 -7.0469 -7.0469 -7.0142 -7.0142 -6.8200 -6.8200 -6.7618 -6.7618 -6.7139 -6.7139 -6.6862 -6.6862 -2.4279 -2.4279 -2.3681 -2.3681 -1.3625 -1.3625 -1.2666 -1.2666 -1.0691 -1.0691 -0.7406 -0.7406 0.0596 0.0596 0.1568 0.1568 0.2944 0.2944 0.9595 0.9595 1.2971 1.2971 1.4814 1.4814 1.6053 1.6053 1.8010 1.8010 1.8312 1.8312 1.9077 1.9077 2.1076 2.1076 2.1999 2.1999 3.4009 3.4009 3.5712 3.5712 3.9556 3.9556 6.5140 6.5140 6.6411 6.6411 12.7860 12.7860 13.1767 13.1767 13.3590 13.3590 13.6308 13.6308 13.7182 13.7182 13.8365 13.8365 k = 0.2342 0.4057 0.6125 ( 6808 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3304 -23.3304 -23.3187 -23.3187 -18.0258 -18.0258 -17.7954 -17.7954 -17.7717 -17.7717 -17.6276 -17.6276 -17.4576 -17.4576 -17.4165 -17.4165 -7.0487 -7.0487 -7.0136 -7.0136 -6.8208 -6.8208 -6.7646 -6.7646 -6.7146 -6.7146 -6.6876 -6.6876 -2.4274 -2.4274 -2.3653 -2.3653 -1.3635 -1.3635 -1.2656 -1.2656 -1.0733 -1.0733 -0.7445 -0.7445 0.0591 0.0591 0.1535 0.1535 0.2938 0.2938 0.9561 0.9561 1.3025 1.3025 1.4934 1.4934 1.6126 1.6126 1.8018 1.8018 1.8333 1.8333 1.9168 1.9168 2.1084 2.1084 2.2045 2.2045 3.3992 3.3992 3.5702 3.5702 3.9512 3.9512 6.5147 6.5147 6.6469 6.6469 12.7418 12.7418 13.1647 13.1647 13.3539 13.3539 13.6031 13.6031 13.7011 13.7011 13.8228 13.8228 k = 0.2252 0.3901 0.6125 ( 6812 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3311 -23.3311 -23.3183 -23.3183 -18.0274 -18.0274 -17.7950 -17.7950 -17.7704 -17.7704 -17.6284 -17.6284 -17.4570 -17.4570 -17.4154 -17.4154 -7.0505 -7.0505 -7.0132 -7.0132 -6.8215 -6.8215 -6.7674 -6.7674 -6.7156 -6.7156 -6.6891 -6.6891 -2.4265 -2.4265 -2.3628 -2.3628 -1.3641 -1.3641 -1.2649 -1.2649 -1.0781 -1.0781 -0.7486 -0.7486 0.0594 0.0594 0.1497 0.1497 0.2924 0.2924 0.9524 0.9524 1.3100 1.3100 1.5052 1.5052 1.6202 1.6202 1.8032 1.8032 1.8358 1.8358 1.9259 1.9259 2.1101 2.1101 2.2089 2.2089 3.3975 3.3975 3.5688 3.5688 3.9462 3.9462 6.5165 6.5165 6.6522 6.6522 12.6979 12.6979 13.1509 13.1509 13.3455 13.3455 13.5699 13.5699 13.6853 13.6853 13.8071 13.8071 k = 0.2162 0.3745 0.6125 ( 6808 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3317 -23.3317 -23.3178 -23.3178 -18.0292 -18.0292 -17.7943 -17.7943 -17.7692 -17.7692 -17.6293 -17.6293 -17.4561 -17.4561 -17.4142 -17.4142 -7.0524 -7.0524 -7.0128 -7.0128 -6.8222 -6.8222 -6.7703 -6.7703 -6.7170 -6.7170 -6.6908 -6.6908 -2.4250 -2.4250 -2.3604 -2.3604 -1.3641 -1.3641 -1.2644 -1.2644 -1.0835 -1.0835 -0.7530 -0.7530 0.0603 0.0603 0.1458 0.1458 0.2902 0.2902 0.9485 0.9485 1.3196 1.3196 1.5166 1.5166 1.6282 1.6282 1.8052 1.8052 1.8386 1.8386 1.9348 1.9348 2.1128 2.1128 2.2131 2.2131 3.3961 3.3961 3.5671 3.5671 3.9407 3.9407 6.5194 6.5194 6.6571 6.6571 12.6545 12.6545 13.1355 13.1355 13.3340 13.3340 13.5325 13.5325 13.6696 13.6696 13.7895 13.7895 k = 0.2072 0.3589 0.6125 ( 6812 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3323 -23.3323 -23.3174 -23.3174 -18.0310 -18.0310 -17.7935 -17.7935 -17.7681 -17.7681 -17.6302 -17.6302 -17.4551 -17.4551 -17.4131 -17.4131 -7.0543 -7.0543 -7.0125 -7.0125 -6.8229 -6.8229 -6.7732 -6.7732 -6.7187 -6.7187 -6.6926 -6.6926 -2.4232 -2.4232 -2.3583 -2.3583 -1.3637 -1.3637 -1.2642 -1.2642 -1.0896 -1.0896 -0.7577 -0.7577 0.0617 0.0617 0.1417 0.1417 0.2873 0.2873 0.9442 0.9442 1.3312 1.3312 1.5276 1.5276 1.6364 1.6364 1.8077 1.8077 1.8418 1.8418 1.9435 1.9435 2.1164 2.1164 2.2171 2.2171 3.3949 3.3949 3.5652 3.5652 3.9347 3.9347 6.5233 6.5233 6.6616 6.6616 12.6116 12.6116 13.1184 13.1184 13.3196 13.3196 13.4919 13.4919 13.6536 13.6536 13.7700 13.7700 k = 0.1982 0.3433 0.6125 ( 6816 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3329 -23.3329 -23.3169 -23.3169 -18.0329 -18.0329 -17.7926 -17.7926 -17.7672 -17.7672 -17.6312 -17.6312 -17.4538 -17.4538 -17.4121 -17.4121 -7.0562 -7.0562 -7.0123 -7.0123 -6.8235 -6.8235 -6.7762 -6.7762 -6.7206 -6.7206 -6.6946 -6.6946 -2.4208 -2.4208 -2.3565 -2.3565 -1.3628 -1.3628 -1.2642 -1.2642 -1.0963 -1.0963 -0.7625 -0.7625 0.0632 0.0632 0.1378 0.1378 0.2839 0.2839 0.9397 0.9397 1.3445 1.3445 1.5383 1.5383 1.6448 1.6448 1.8108 1.8108 1.8453 1.8453 1.9519 1.9519 2.1210 2.1210 2.2208 2.2208 3.3939 3.3939 3.5630 3.5630 3.9283 3.9283 6.5282 6.5282 6.6656 6.6656 12.5696 12.5696 13.0999 13.0999 13.3028 13.3028 13.4491 13.4491 13.6367 13.6367 13.7488 13.7488 k = 0.1892 0.3277 0.6125 ( 6824 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3336 -23.3336 -23.3165 -23.3165 -18.0349 -18.0349 -17.7915 -17.7915 -17.7663 -17.7663 -17.6322 -17.6322 -17.4524 -17.4524 -17.4111 -17.4111 -7.0582 -7.0582 -7.0121 -7.0121 -6.8241 -6.8241 -6.7792 -6.7792 -6.7227 -6.7227 -6.6968 -6.6968 -2.4181 -2.4181 -2.3550 -2.3550 -1.3614 -1.3614 -1.2644 -1.2644 -1.1034 -1.1034 -0.7674 -0.7674 0.0645 0.0645 0.1343 0.1343 0.2800 0.2800 0.9349 0.9349 1.3595 1.3595 1.5484 1.5484 1.6535 1.6535 1.8143 1.8143 1.8492 1.8492 1.9598 1.9598 2.1264 2.1264 2.2244 2.2244 3.3930 3.3930 3.5605 3.5605 3.9214 3.9214 6.5339 6.5339 6.6692 6.6692 12.5284 12.5284 13.0798 13.0798 13.2838 13.2838 13.4049 13.4049 13.6189 13.6189 13.7260 13.7260 k = 0.1802 0.3121 0.6125 ( 6832 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3342 -23.3342 -23.3161 -23.3161 -18.0369 -18.0369 -17.7902 -17.7902 -17.7655 -17.7655 -17.6333 -17.6333 -17.4509 -17.4509 -17.4101 -17.4101 -7.0601 -7.0601 -7.0120 -7.0120 -6.8246 -6.8246 -6.7822 -6.7822 -6.7250 -6.7250 -6.6992 -6.6992 -2.4151 -2.4151 -2.3536 -2.3536 -1.3596 -1.3596 -1.2648 -1.2648 -1.1110 -1.1110 -0.7724 -0.7724 0.0650 0.0650 0.1317 0.1317 0.2757 0.2757 0.9300 0.9300 1.3759 1.3759 1.5582 1.5582 1.6624 1.6624 1.8183 1.8183 1.8534 1.8534 1.9673 1.9673 2.1327 2.1327 2.2277 2.2277 3.3924 3.3924 3.5578 3.5578 3.9141 3.9141 6.5405 6.5405 6.6723 6.6723 12.4883 12.4883 13.0582 13.0582 13.2631 13.2631 13.3601 13.3601 13.6002 13.6002 13.7017 13.7017 k = 0.1712 0.2965 0.6125 ( 6844 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3348 -23.3348 -23.3158 -23.3158 -18.0390 -18.0390 -17.7888 -17.7888 -17.7648 -17.7648 -17.6344 -17.6344 -17.4492 -17.4492 -17.4092 -17.4092 -7.0621 -7.0621 -7.0120 -7.0120 -6.8251 -6.8251 -6.7851 -6.7851 -6.7273 -6.7273 -6.7018 -6.7018 -2.4117 -2.4117 -2.3526 -2.3526 -1.3574 -1.3574 -1.2653 -1.2653 -1.1189 -1.1189 -0.7774 -0.7774 0.0641 0.0641 0.1305 0.1305 0.2712 0.2712 0.9248 0.9248 1.3935 1.3935 1.5674 1.5674 1.6714 1.6714 1.8228 1.8228 1.8579 1.8579 1.9743 1.9743 2.1397 2.1397 2.2309 2.2309 3.3919 3.3919 3.5549 3.5549 3.9065 3.9065 6.5478 6.5478 6.6751 6.6751 12.4494 12.4494 13.0351 13.0351 13.2409 13.2409 13.3155 13.3155 13.5806 13.5806 13.6763 13.6763 k = 0.1622 0.2809 0.6125 ( 6848 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3354 -23.3354 -23.3154 -23.3154 -18.0411 -18.0411 -17.7873 -17.7873 -17.7642 -17.7642 -17.6356 -17.6356 -17.4474 -17.4474 -17.4083 -17.4083 -7.0640 -7.0640 -7.0120 -7.0120 -6.8256 -6.8256 -6.7881 -6.7881 -6.7296 -6.7296 -6.7046 -6.7046 -2.4081 -2.4081 -2.3517 -2.3517 -1.3549 -1.3549 -1.2660 -1.2660 -1.1270 -1.1270 -0.7823 -0.7823 0.0614 0.0614 0.1311 0.1311 0.2667 0.2667 0.9196 0.9196 1.4121 1.4121 1.5762 1.5762 1.6806 1.6806 1.8277 1.8277 1.8627 1.8627 1.9809 1.9809 2.1473 2.1473 2.2339 2.2339 3.3915 3.3915 3.5518 3.5518 3.8985 3.8985 6.5558 6.5558 6.6775 6.6775 12.4118 12.4118 13.0102 13.0102 13.2175 13.2175 13.2719 13.2719 13.5605 13.5605 13.6499 13.6499 k = 0.1532 0.2653 0.6125 ( 6844 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3359 -23.3359 -23.3151 -23.3151 -18.0432 -18.0432 -17.7857 -17.7857 -17.7637 -17.7637 -17.6369 -17.6369 -17.4455 -17.4455 -17.4075 -17.4075 -7.0659 -7.0659 -7.0120 -7.0120 -6.8261 -6.8261 -6.7909 -6.7909 -6.7320 -6.7320 -6.7075 -6.7075 -2.4042 -2.4042 -2.3510 -2.3510 -1.3520 -1.3520 -1.2667 -1.2667 -1.1352 -1.1352 -0.7872 -0.7872 0.0568 0.0568 0.1334 0.1334 0.2623 0.2623 0.9143 0.9143 1.4312 1.4312 1.5845 1.5845 1.6900 1.6900 1.8329 1.8329 1.8678 1.8678 1.9871 1.9871 2.1554 2.1554 2.2367 2.2367 3.3913 3.3913 3.5485 3.5485 3.8903 3.8903 6.5645 6.5645 6.6795 6.6795 12.3757 12.3757 12.9835 12.9835 13.1932 13.1932 13.2302 13.2302 13.5399 13.5399 13.6229 13.6229 k = 0.1441 0.2497 0.6125 ( 6844 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3365 -23.3365 -23.3148 -23.3148 -18.0452 -18.0452 -17.7839 -17.7839 -17.7632 -17.7632 -17.6382 -17.6382 -17.4436 -17.4436 -17.4066 -17.4066 -7.0678 -7.0678 -7.0121 -7.0121 -6.8266 -6.8266 -6.7936 -6.7936 -6.7343 -6.7343 -6.7107 -6.7107 -2.4002 -2.4002 -2.3505 -2.3505 -1.3490 -1.3490 -1.2676 -1.2676 -1.1434 -1.1434 -0.7919 -0.7919 0.0504 0.0504 0.1373 0.1373 0.2581 0.2581 0.9089 0.9089 1.4507 1.4507 1.5922 1.5922 1.6995 1.6995 1.8386 1.8386 1.8730 1.8730 1.9928 1.9928 2.1638 2.1638 2.2393 2.2393 3.3911 3.3911 3.5451 3.5451 3.8820 3.8820 6.5735 6.5735 6.6812 6.6812 12.3412 12.3412 12.9549 12.9549 13.1680 13.1680 13.1913 13.1913 13.5191 13.5191 13.5955 13.5955 k = 0.1351 0.2341 0.6125 ( 6856 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3370 -23.3370 -23.3144 -23.3144 -18.0473 -18.0473 -17.7821 -17.7821 -17.7629 -17.7629 -17.6395 -17.6395 -17.4417 -17.4417 -17.4058 -17.4058 -7.0697 -7.0697 -7.0122 -7.0122 -6.8271 -6.8271 -6.7962 -6.7962 -6.7366 -6.7366 -6.7140 -6.7140 -2.3960 -2.3960 -2.3502 -2.3502 -1.3458 -1.3458 -1.2686 -1.2686 -1.1515 -1.1515 -0.7965 -0.7965 0.0427 0.0427 0.1422 0.1422 0.2541 0.2541 0.9035 0.9035 1.4701 1.4701 1.5994 1.5994 1.7090 1.7090 1.8446 1.8446 1.8783 1.8783 1.9981 1.9981 2.1723 2.1723 2.2418 2.2418 3.3910 3.3910 3.5416 3.5416 3.8735 3.8735 6.5829 6.5829 6.6825 6.6825 12.3083 12.3083 12.9245 12.9245 13.1415 13.1415 13.1566 13.1566 13.4984 13.4984 13.5679 13.5679 k = 0.1261 0.2185 0.6125 ( 6844 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3375 -23.3375 -23.3142 -23.3142 -18.0493 -18.0493 -17.7802 -17.7802 -17.7625 -17.7625 -17.6408 -17.6408 -17.4399 -17.4399 -17.4050 -17.4050 -7.0715 -7.0715 -7.0123 -7.0123 -6.8278 -6.8278 -6.7984 -6.7984 -6.7388 -6.7388 -6.7173 -6.7173 -2.3918 -2.3918 -2.3500 -2.3500 -1.3424 -1.3424 -1.2697 -1.2697 -1.1593 -1.1593 -0.8009 -0.8009 0.0340 0.0340 0.1479 0.1479 0.2505 0.2505 0.8982 0.8982 1.4894 1.4894 1.6062 1.6062 1.7187 1.7187 1.8509 1.8509 1.8837 1.8837 2.0031 2.0031 2.1809 2.1809 2.2441 2.2441 3.3909 3.3909 3.5381 3.5381 3.8651 3.8651 6.5925 6.5925 6.6837 6.6837 12.2772 12.2772 12.8924 12.8924 13.1131 13.1131 13.1272 13.1272 13.4779 13.4779 13.5406 13.5406 k = 0.1171 0.2029 0.6125 ( 6842 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3380 -23.3380 -23.3139 -23.3139 -18.0512 -18.0512 -17.7783 -17.7783 -17.7623 -17.7623 -17.6422 -17.6422 -17.4381 -17.4381 -17.4041 -17.4041 -7.0732 -7.0732 -7.0125 -7.0125 -6.8286 -6.8286 -6.8004 -6.8004 -6.7408 -6.7408 -6.7208 -6.7208 -2.3875 -2.3875 -2.3500 -2.3500 -1.3391 -1.3391 -1.2709 -1.2709 -1.1667 -1.1667 -0.8050 -0.8050 0.0247 0.0247 0.1539 0.1539 0.2474 0.2474 0.8929 0.8929 1.5080 1.5080 1.6124 1.6124 1.7284 1.7284 1.8575 1.8575 1.8891 1.8891 2.0076 2.0076 2.1895 2.1895 2.2462 2.2462 3.3907 3.3907 3.5345 3.5345 3.8568 3.8568 6.6022 6.6022 6.6846 6.6846 12.2480 12.2480 12.8591 12.8591 13.0847 13.0847 13.1015 13.1015 13.4579 13.4579 13.5137 13.5137 k = 0.1081 0.1872 0.6125 ( 6838 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3385 -23.3385 -23.3137 -23.3137 -18.0531 -18.0531 -17.7764 -17.7764 -17.7620 -17.7620 -17.6436 -17.6436 -17.4363 -17.4363 -17.4033 -17.4033 -7.0749 -7.0749 -7.0126 -7.0126 -6.8296 -6.8296 -6.8020 -6.8020 -6.7427 -6.7427 -6.7243 -6.7243 -2.3834 -2.3834 -2.3500 -2.3500 -1.3358 -1.3358 -1.2722 -1.2722 -1.1736 -1.1736 -0.8089 -0.8089 0.0150 0.0150 0.1600 0.1600 0.2447 0.2447 0.8878 0.8878 1.5256 1.5256 1.6183 1.6183 1.7380 1.7380 1.8643 1.8643 1.8945 1.8945 2.0119 2.0119 2.1978 2.1978 2.2482 2.2482 3.3905 3.3905 3.5310 3.5310 3.8486 3.8486 6.6119 6.6119 6.6852 6.6852 12.2206 12.2206 12.8251 12.8251 13.0583 13.0583 13.0778 13.0778 13.4386 13.4386 13.4876 13.4876 k = 0.0991 0.1716 0.6125 ( 6838 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3389 -23.3389 -23.3134 -23.3134 -18.0548 -18.0548 -17.7744 -17.7744 -17.7618 -17.7618 -17.6450 -17.6450 -17.4347 -17.4347 -17.4025 -17.4025 -7.0765 -7.0765 -7.0128 -7.0128 -6.8307 -6.8307 -6.8033 -6.8033 -6.7445 -6.7445 -6.7278 -6.7278 -2.3793 -2.3793 -2.3502 -2.3502 -1.3327 -1.3327 -1.2736 -1.2736 -1.1800 -1.1800 -0.8126 -0.8126 0.0052 0.0052 0.1660 0.1660 0.2425 0.2425 0.8829 0.8829 1.5421 1.5421 1.6238 1.6238 1.7474 1.7474 1.8714 1.8714 1.8997 1.8997 2.0157 2.0157 2.2057 2.2057 2.2501 2.2501 3.3902 3.3902 3.5275 3.5275 3.8406 3.8406 6.6214 6.6214 6.6857 6.6857 12.1953 12.1953 12.7913 12.7913 13.0344 13.0344 13.0555 13.0555 13.4201 13.4201 13.4625 13.4625 k = 0.0901 0.1560 0.6125 ( 6826 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3393 -23.3393 -23.3132 -23.3132 -18.0565 -18.0565 -17.7725 -17.7725 -17.7617 -17.7617 -17.6464 -17.6464 -17.4332 -17.4332 -17.4017 -17.4017 -7.0780 -7.0780 -7.0130 -7.0130 -6.8321 -6.8321 -6.8041 -6.8041 -6.7462 -6.7462 -6.7313 -6.7313 -2.3754 -2.3754 -2.3503 -2.3503 -1.3298 -1.3298 -1.2750 -1.2750 -1.1856 -1.1856 -0.8159 -0.8159 -0.0045 -0.0045 0.1716 0.1716 0.2409 0.2409 0.8782 0.8782 1.5571 1.5571 1.6289 1.6289 1.7567 1.7567 1.8786 1.8786 1.9047 1.9047 2.0193 2.0193 2.2132 2.2132 2.2519 2.2519 3.3899 3.3899 3.5242 3.5242 3.8331 3.8331 6.6306 6.6306 6.6861 6.6861 12.1720 12.1720 12.7583 12.7583 13.0130 13.0130 13.0345 13.0345 13.4027 13.4027 13.4387 13.4387 k = 0.0811 0.1404 0.6125 ( 6834 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3396 -23.3396 -23.3130 -23.3130 -18.0580 -18.0580 -17.7707 -17.7707 -17.7616 -17.7616 -17.6477 -17.6477 -17.4319 -17.4319 -17.4009 -17.4009 -7.0794 -7.0794 -7.0131 -7.0131 -6.8335 -6.8335 -6.8046 -6.8046 -6.7477 -6.7477 -6.7347 -6.7347 -2.3717 -2.3717 -2.3506 -2.3506 -1.3271 -1.3271 -1.2766 -1.2766 -1.1906 -1.1906 -0.8190 -0.8190 -0.0139 -0.0139 0.1767 0.1767 0.2399 0.2399 0.8737 0.8737 1.5704 1.5704 1.6338 1.6338 1.7655 1.7655 1.8858 1.8858 1.9096 1.9096 2.0226 2.0226 2.2200 2.2200 2.2535 2.2535 3.3894 3.3894 3.5210 3.5210 3.8259 3.8259 6.6392 6.6392 6.6863 6.6863 12.1509 12.1509 12.7268 12.7268 12.9939 12.9939 13.0151 13.0151 13.3865 13.3865 13.4163 13.4163 k = 0.0721 0.1248 0.6125 ( 6830 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3400 -23.3400 -23.3129 -23.3129 -18.0595 -18.0595 -17.7689 -17.7689 -17.7614 -17.7614 -17.6490 -17.6490 -17.4307 -17.4307 -17.4001 -17.4001 -7.0807 -7.0807 -7.0133 -7.0133 -6.8350 -6.8350 -6.8048 -6.8048 -6.7491 -6.7491 -6.7379 -6.7379 -2.3683 -2.3683 -2.3508 -2.3508 -1.3248 -1.3248 -1.2781 -1.2781 -1.1947 -1.1947 -0.8218 -0.8218 -0.0228 -0.0228 0.1812 0.1812 0.2394 0.2394 0.8697 0.8697 1.5821 1.5821 1.6384 1.6384 1.7739 1.7739 1.8930 1.8930 1.9141 1.9141 2.0255 2.0255 2.2262 2.2262 2.2552 2.2552 3.3888 3.3888 3.5181 3.5181 3.8192 3.8192 6.6472 6.6472 6.6866 6.6866 12.1319 12.1319 12.6973 12.6973 12.9769 12.9769 12.9974 12.9974 13.3717 13.3717 13.3958 13.3958 k = 0.0631 0.1092 0.6125 ( 6830 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3403 -23.3403 -23.3127 -23.3127 -18.0607 -18.0607 -17.7673 -17.7673 -17.7614 -17.7614 -17.6502 -17.6502 -17.4296 -17.4296 -17.3993 -17.3993 -7.0818 -7.0818 -7.0134 -7.0134 -6.8365 -6.8365 -6.8048 -6.8048 -6.7503 -6.7503 -6.7409 -6.7409 -2.3652 -2.3652 -2.3509 -2.3509 -1.3228 -1.3228 -1.2797 -1.2797 -1.1982 -1.1982 -0.8243 -0.8243 -0.0311 -0.0311 0.1850 0.1850 0.2394 0.2394 0.8659 0.8659 1.5920 1.5920 1.6427 1.6427 1.7816 1.7816 1.9000 1.9000 1.9183 1.9183 2.0281 2.0281 2.2317 2.2317 2.2568 2.2568 3.3882 3.3882 3.5154 3.5154 3.8132 3.8132 6.6544 6.6544 6.6869 6.6869 12.1150 12.1150 12.6703 12.6703 12.9618 12.9618 12.9815 12.9815 13.3583 13.3583 13.3772 13.3772 k = 0.0541 0.0936 0.6125 ( 6840 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3405 -23.3405 -23.3126 -23.3126 -18.0619 -18.0619 -17.7658 -17.7658 -17.7613 -17.7613 -17.6513 -17.6513 -17.4287 -17.4287 -17.3987 -17.3987 -7.0828 -7.0828 -7.0136 -7.0136 -6.8379 -6.8379 -6.8046 -6.8046 -6.7513 -6.7513 -6.7437 -6.7437 -2.3627 -2.3627 -2.3510 -2.3510 -1.3212 -1.3212 -1.2812 -1.2812 -1.2010 -1.2010 -0.8264 -0.8264 -0.0385 -0.0385 0.1880 0.1880 0.2398 0.2398 0.8626 0.8626 1.6001 1.6001 1.6468 1.6468 1.7884 1.7884 1.9065 1.9065 1.9221 1.9221 2.0304 2.0304 2.2362 2.2362 2.2584 2.2584 3.3875 3.3875 3.5129 3.5129 3.8078 3.8078 6.6607 6.6607 6.6872 6.6872 12.1004 12.1004 12.6461 12.6461 12.9487 12.9487 12.9676 12.9676 13.3464 13.3464 13.3607 13.3607 k = 0.0450 0.0780 0.6125 ( 6832 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3408 -23.3408 -23.3125 -23.3125 -18.0628 -18.0628 -17.7644 -17.7644 -17.7612 -17.7612 -17.6523 -17.6523 -17.4280 -17.4280 -17.3980 -17.3980 -7.0837 -7.0837 -7.0137 -7.0137 -6.8392 -6.8392 -6.8042 -6.8042 -6.7522 -6.7522 -6.7462 -6.7462 -2.3605 -2.3605 -2.3509 -2.3509 -1.3198 -1.3198 -1.2825 -1.2825 -1.2032 -1.2032 -0.8282 -0.8282 -0.0450 -0.0450 0.1903 0.1903 0.2406 0.2406 0.8598 0.8598 1.6065 1.6065 1.6506 1.6506 1.7944 1.7944 1.9124 1.9124 1.9256 1.9256 2.0323 2.0323 2.2399 2.2399 2.2600 2.2600 3.3868 3.3868 3.5109 3.5109 3.8031 3.8031 6.6660 6.6660 6.6878 6.6878 12.0880 12.0880 12.6252 12.6252 12.9374 12.9374 12.9558 12.9558 13.3363 13.3363 13.3465 13.3465 k = 0.0360 0.0624 0.6125 ( 6832 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3409 -23.3409 -23.3124 -23.3124 -18.0636 -18.0636 -17.7633 -17.7633 -17.7612 -17.7612 -17.6532 -17.6532 -17.4274 -17.4274 -17.3975 -17.3975 -7.0845 -7.0845 -7.0137 -7.0137 -6.8403 -6.8403 -6.8038 -6.8038 -6.7530 -6.7530 -6.7484 -6.7484 -2.3589 -2.3589 -2.3506 -2.3506 -1.3189 -1.3189 -1.2836 -1.2836 -1.2048 -1.2048 -0.8297 -0.8297 -0.0505 -0.0505 0.1920 0.1920 0.2415 0.2415 0.8574 0.8574 1.6115 1.6115 1.6539 1.6539 1.7994 1.7994 1.9174 1.9174 1.9287 1.9287 2.0339 2.0339 2.2428 2.2428 2.2616 2.2616 3.3861 3.3861 3.5091 3.5091 3.7993 3.7993 6.6700 6.6700 6.6886 6.6886 12.0778 12.0778 12.6078 12.6078 12.9281 12.9281 12.9461 12.9461 13.3278 13.3278 13.3347 13.3347 k = 0.0270 0.0468 0.6125 ( 6824 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3411 -23.3411 -23.3123 -23.3123 -18.0643 -18.0643 -17.7624 -17.7624 -17.7612 -17.7612 -17.6538 -17.6538 -17.4269 -17.4269 -17.3971 -17.3971 -7.0850 -7.0850 -7.0138 -7.0138 -6.8412 -6.8412 -6.8035 -6.8035 -6.7536 -6.7536 -6.7501 -6.7501 -2.3578 -2.3578 -2.3503 -2.3503 -1.3182 -1.3182 -1.2845 -1.2845 -1.2059 -1.2059 -0.8308 -0.8308 -0.0549 -0.0549 0.1932 0.1932 0.2424 0.2424 0.8555 0.8555 1.6151 1.6151 1.6566 1.6566 1.8033 1.8033 1.9213 1.9213 1.9314 1.9314 2.0352 2.0352 2.2448 2.2448 2.2630 2.2630 3.3855 3.3855 3.5078 3.5078 3.7963 3.7963 6.6729 6.6729 6.6897 6.6897 12.0699 12.0699 12.5940 12.5940 12.9207 12.9207 12.9386 12.9386 13.3211 13.3211 13.3256 13.3256 k = 0.0180 0.0312 0.6125 ( 6824 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3412 -23.3412 -23.3123 -23.3123 -18.0648 -18.0648 -17.7617 -17.7617 -17.7611 -17.7611 -17.6543 -17.6543 -17.4266 -17.4266 -17.3967 -17.3967 -7.0855 -7.0855 -7.0139 -7.0139 -6.8418 -6.8418 -6.8031 -6.8031 -6.7540 -6.7540 -6.7514 -6.7514 -2.3572 -2.3572 -2.3499 -2.3499 -1.3177 -1.3177 -1.2852 -1.2852 -1.2067 -1.2067 -0.8317 -0.8317 -0.0580 -0.0580 0.1940 0.1940 0.2432 0.2432 0.8541 0.8541 1.6176 1.6176 1.6587 1.6587 1.8062 1.8062 1.9240 1.9240 1.9335 1.9335 2.0361 2.0361 2.2462 2.2462 2.2641 2.2641 3.3851 3.3851 3.5069 3.5069 3.7941 3.7941 6.6746 6.6746 6.6906 6.6906 12.0642 12.0642 12.5841 12.5841 12.9153 12.9153 12.9333 12.9333 13.3161 13.3161 13.3191 13.3191 k = 0.0090 0.0156 0.6125 ( 6820 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3413 -23.3413 -23.3123 -23.3123 -18.0650 -18.0650 -17.7614 -17.7614 -17.7611 -17.7611 -17.6546 -17.6546 -17.4264 -17.4264 -17.3965 -17.3965 -7.0857 -7.0857 -7.0139 -7.0139 -6.8422 -6.8422 -6.8029 -6.8029 -6.7543 -6.7543 -6.7521 -6.7521 -2.3569 -2.3569 -2.3495 -2.3495 -1.3174 -1.3174 -1.2856 -1.2856 -1.2071 -1.2071 -0.8322 -0.8322 -0.0600 -0.0600 0.1945 0.1945 0.2437 0.2437 0.8533 0.8533 1.6190 1.6190 1.6599 1.6599 1.8079 1.8079 1.9257 1.9257 1.9349 1.9349 2.0366 2.0366 2.2470 2.2470 2.2648 2.2648 3.3848 3.3848 3.5063 3.5063 3.7927 3.7927 6.6756 6.6756 6.6914 6.6914 12.0608 12.0608 12.5781 12.5781 12.9121 12.9121 12.9301 12.9301 13.3129 13.3129 13.3154 13.3154 k = 0.0000 0.0000 0.6125 ( 6826 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3413 -23.3413 -23.3123 -23.3123 -18.0651 -18.0651 -17.7613 -17.7613 -17.7610 -17.7610 -17.6547 -17.6547 -17.4263 -17.4263 -17.3965 -17.3965 -7.0858 -7.0858 -7.0139 -7.0139 -6.8424 -6.8424 -6.8029 -6.8029 -6.7544 -6.7544 -6.7524 -6.7524 -2.3568 -2.3568 -2.3495 -2.3495 -1.3174 -1.3174 -1.2858 -1.2858 -1.2073 -1.2073 -0.8324 -0.8324 -0.0606 -0.0606 0.1946 0.1946 0.2439 0.2439 0.8530 0.8530 1.6194 1.6194 1.6603 1.6603 1.8085 1.8085 1.9262 1.9262 1.9353 1.9353 2.0368 2.0368 2.2472 2.2472 2.2651 2.2651 3.3847 3.3847 3.5061 3.5061 3.7923 3.7923 6.6759 6.6759 6.6917 6.6917 12.0597 12.0597 12.5761 12.5761 12.9110 12.9110 12.9290 12.9290 13.3117 13.3117 13.3142 13.3142 k = 0.5000 0.2887 0.6125 ( 6816 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3294 -23.3294 -23.3195 -23.3195 -18.0243 -18.0243 -17.8016 -17.8016 -17.7626 -17.7626 -17.6296 -17.6296 -17.4689 -17.4689 -17.4094 -17.4094 -7.0515 -7.0515 -7.0089 -7.0089 -6.8291 -6.8291 -6.7611 -6.7611 -6.6960 -6.6960 -6.6909 -6.6909 -2.4557 -2.4557 -2.3383 -2.3383 -1.4093 -1.4093 -1.2269 -1.2269 -1.0515 -1.0515 -0.7338 -0.7338 -0.0557 -0.0557 0.2525 0.2525 0.3144 0.3144 0.9576 0.9576 1.2322 1.2322 1.4477 1.4477 1.6783 1.6783 1.7852 1.7852 1.8220 1.8220 1.9824 1.9824 2.0318 2.0318 2.2330 2.2330 3.3569 3.3569 3.5953 3.5953 3.9631 3.9631 6.4539 6.4539 6.6958 6.6958 12.8089 12.8089 13.0311 13.0311 13.5511 13.5511 13.7042 13.7042 13.7452 13.7452 13.7706 13.7706 k = 0.5000 0.2887 0.5945 ( 6810 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3294 -23.3294 -23.3195 -23.3195 -18.0248 -18.0248 -17.8015 -17.8015 -17.7625 -17.7625 -17.6291 -17.6291 -17.4690 -17.4690 -17.4096 -17.4096 -7.0515 -7.0515 -7.0089 -7.0089 -6.8291 -6.8291 -6.7611 -6.7611 -6.6960 -6.6960 -6.6909 -6.6909 -2.4556 -2.4556 -2.3382 -2.3382 -1.4092 -1.4092 -1.2267 -1.2267 -1.0520 -1.0520 -0.7352 -0.7352 -0.0549 -0.0549 0.2528 0.2528 0.3149 0.3149 0.9599 0.9599 1.2319 1.2319 1.4475 1.4475 1.6768 1.6768 1.7826 1.7826 1.8234 1.8234 1.9804 1.9804 2.0330 2.0330 2.2340 2.2340 3.3574 3.3574 3.5958 3.5958 3.9626 3.9626 6.4540 6.4540 6.6959 6.6959 12.8074 12.8074 13.0269 13.0269 13.5517 13.5517 13.7050 13.7050 13.7463 13.7463 13.7708 13.7708 k = 0.5000 0.2887 0.5765 ( 6820 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3295 -23.3295 -23.3195 -23.3195 -18.0262 -18.0262 -17.8011 -17.8011 -17.7621 -17.7621 -17.6275 -17.6275 -17.4693 -17.4693 -17.4100 -17.4100 -7.0514 -7.0514 -7.0087 -7.0087 -6.8290 -6.8290 -6.7609 -6.7609 -6.6960 -6.6960 -6.6909 -6.6909 -2.4554 -2.4554 -2.3380 -2.3380 -1.4091 -1.4091 -1.2264 -1.2264 -1.0536 -1.0536 -0.7391 -0.7391 -0.0528 -0.0528 0.2539 0.2539 0.3162 0.3162 0.9667 0.9667 1.2309 1.2309 1.4469 1.4469 1.6726 1.6726 1.7751 1.7751 1.8271 1.8271 1.9746 1.9746 2.0363 2.0363 2.2368 2.2368 3.3590 3.3590 3.5969 3.5969 3.9609 3.9609 6.4543 6.4543 6.6963 6.6963 12.8028 12.8028 13.0146 13.0146 13.5535 13.5535 13.7074 13.7074 13.7491 13.7491 13.7717 13.7717 k = 0.5000 0.2887 0.5584 ( 6832 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3296 -23.3296 -23.3195 -23.3195 -18.0286 -18.0286 -17.8005 -17.8005 -17.7615 -17.7615 -17.6250 -17.6250 -17.4697 -17.4697 -17.4107 -17.4107 -7.0513 -7.0513 -7.0085 -7.0085 -6.8288 -6.8288 -6.7607 -6.7607 -6.6961 -6.6961 -6.6908 -6.6908 -2.4551 -2.4551 -2.3378 -2.3378 -1.4089 -1.4089 -1.2258 -1.2258 -1.0562 -1.0562 -0.7455 -0.7455 -0.0492 -0.0492 0.2556 0.2556 0.3185 0.3185 0.9778 0.9778 1.2294 1.2294 1.4459 1.4459 1.6659 1.6659 1.7631 1.7631 1.8330 1.8330 1.9654 1.9654 2.0413 2.0413 2.2411 2.2411 3.3617 3.3617 3.5989 3.5989 3.9580 3.9580 6.4547 6.4547 6.6968 6.6968 12.7952 12.7952 12.9950 12.9950 13.5564 13.5564 13.7113 13.7113 13.7520 13.7520 13.7743 13.7743 k = 0.5000 0.2887 0.5404 ( 6834 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3297 -23.3297 -23.3195 -23.3195 -18.0319 -18.0319 -17.7997 -17.7997 -17.7606 -17.7606 -17.6216 -17.6216 -17.4703 -17.4703 -17.4117 -17.4117 -7.0512 -7.0512 -7.0081 -7.0081 -6.8285 -6.8285 -6.7604 -6.7604 -6.6961 -6.6961 -6.6906 -6.6906 -2.4546 -2.4546 -2.3373 -2.3373 -1.4086 -1.4086 -1.2250 -1.2250 -1.0599 -1.0599 -0.7540 -0.7540 -0.0443 -0.0443 0.2581 0.2581 0.3215 0.3215 0.9931 0.9931 1.2274 1.2274 1.4445 1.4445 1.6571 1.6571 1.7474 1.7474 1.8405 1.8405 1.9537 1.9537 2.0472 2.0472 2.2464 2.2464 3.3654 3.3654 3.6017 3.6017 3.9540 3.9540 6.4553 6.4553 6.6977 6.6977 12.7844 12.7844 12.9692 12.9692 13.5603 13.5603 13.7169 13.7169 13.7531 13.7531 13.7800 13.7800 k = 0.5000 0.2887 0.5224 ( 6826 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3298 -23.3298 -23.3195 -23.3195 -18.0359 -18.0359 -17.7986 -17.7986 -17.7595 -17.7595 -17.6173 -17.6173 -17.4711 -17.4711 -17.4129 -17.4129 -7.0510 -7.0510 -7.0077 -7.0077 -6.8282 -6.8282 -6.7600 -6.7600 -6.6962 -6.6962 -6.6905 -6.6905 -2.4540 -2.4540 -2.3368 -2.3368 -1.4081 -1.4081 -1.2240 -1.2240 -1.0647 -1.0647 -0.7644 -0.7644 -0.0381 -0.0381 0.2611 0.2611 0.3253 0.3253 1.0125 1.0125 1.2248 1.2248 1.4428 1.4428 1.6466 1.6466 1.7287 1.7287 1.8492 1.8492 1.9400 1.9400 2.0535 2.0535 2.2522 2.2522 3.3700 3.3700 3.6052 3.6052 3.9490 3.9490 6.4562 6.4562 6.6988 6.6988 12.7702 12.7702 12.9384 12.9384 13.5652 13.5652 13.7242 13.7242 13.7515 13.7515 13.7890 13.7890 k = 0.5000 0.2887 0.5044 ( 6822 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3300 -23.3300 -23.3195 -23.3195 -18.0407 -18.0407 -17.7973 -17.7973 -17.7581 -17.7581 -17.6123 -17.6123 -17.4721 -17.4721 -17.4144 -17.4144 -7.0508 -7.0508 -7.0072 -7.0072 -6.8278 -6.8278 -6.7595 -6.7595 -6.6963 -6.6963 -6.6903 -6.6903 -2.4533 -2.4533 -2.3361 -2.3361 -1.4075 -1.4075 -1.2229 -1.2229 -1.0704 -1.0704 -0.7763 -0.7763 -0.0307 -0.0307 0.2648 0.2648 0.3297 0.3297 1.0354 1.0354 1.2219 1.2219 1.4407 1.4407 1.6346 1.6346 1.7077 1.7077 1.8586 1.8586 1.9250 1.9250 2.0597 2.0597 2.2581 2.2581 3.3755 3.3755 3.6093 3.6093 3.9430 3.9430 6.4572 6.4572 6.7001 6.7001 12.7524 12.7524 12.9043 12.9043 13.5707 13.5707 13.7331 13.7331 13.7478 13.7478 13.8003 13.8003 k = 0.5000 0.2887 0.4864 ( 6822 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3302 -23.3302 -23.3195 -23.3195 -18.0462 -18.0462 -17.7958 -17.7958 -17.7565 -17.7565 -17.6067 -17.6067 -17.4731 -17.4731 -17.4161 -17.4161 -7.0506 -7.0506 -7.0066 -7.0066 -6.8273 -6.8273 -6.7589 -6.7589 -6.6965 -6.6965 -6.6901 -6.6901 -2.4525 -2.4525 -2.3353 -2.3353 -1.4066 -1.4066 -1.2218 -1.2218 -1.0772 -1.0772 -0.7894 -0.7894 -0.0222 -0.0222 0.2689 0.2689 0.3346 0.3346 1.0615 1.0615 1.2189 1.2189 1.4382 1.4382 1.6213 1.6213 1.6848 1.6848 1.8681 1.8681 1.9098 1.9098 2.0653 2.0653 2.2636 2.2636 3.3818 3.3818 3.6139 3.6139 3.9359 3.9359 6.4584 6.4584 6.7016 6.7016 12.7303 12.7303 12.8686 12.8686 13.5768 13.5768 13.7394 13.7394 13.7466 13.7466 13.8130 13.8130 k = 0.5000 0.2887 0.4684 ( 6826 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3304 -23.3304 -23.3195 -23.3195 -18.0521 -18.0521 -17.7940 -17.7940 -17.7547 -17.7547 -17.6005 -17.6005 -17.4744 -17.4744 -17.4181 -17.4181 -7.0503 -7.0503 -7.0059 -7.0059 -6.8268 -6.8268 -6.7583 -6.7583 -6.6966 -6.6966 -6.6899 -6.6899 -2.4517 -2.4517 -2.3345 -2.3345 -1.4056 -1.4056 -1.2207 -1.2207 -1.0850 -1.0850 -0.8031 -0.8031 -0.0128 -0.0128 0.2734 0.2734 0.3399 0.3399 1.0900 1.0900 1.2162 1.2162 1.4354 1.4354 1.6067 1.6067 1.6607 1.6607 1.8758 1.8758 1.8966 1.8966 2.0700 2.0700 2.2685 2.2685 3.3889 3.3889 3.6189 3.6189 3.9278 3.9278 6.4599 6.4599 6.7033 6.7033 12.7035 12.7035 12.8329 12.8329 13.5832 13.5832 13.7329 13.7329 13.7585 13.7585 13.8268 13.8268 k = 0.5000 0.2887 0.4504 ( 6818 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3306 -23.3306 -23.3195 -23.3195 -18.0585 -18.0585 -17.7920 -17.7920 -17.7526 -17.7526 -17.5939 -17.5939 -17.4757 -17.4757 -17.4203 -17.4203 -7.0499 -7.0499 -7.0052 -7.0052 -6.8261 -6.8261 -6.7575 -6.7575 -6.6968 -6.6968 -6.6897 -6.6897 -2.4509 -2.4509 -2.3335 -2.3335 -1.4041 -1.4041 -1.2198 -1.2198 -1.0935 -1.0935 -0.8172 -0.8172 -0.0026 -0.0026 0.2784 0.2784 0.3456 0.3456 1.1196 1.1196 1.2149 1.2149 1.4323 1.4323 1.5909 1.5909 1.6358 1.6358 1.8714 1.8714 1.8959 1.8959 2.0737 2.0737 2.2727 2.2727 3.3965 3.3965 3.6243 3.6243 3.9190 3.9190 6.4615 6.4615 6.7052 6.7052 12.6714 12.6714 12.7988 12.7988 13.5899 13.5899 13.7237 13.7237 13.7736 13.7736 13.8411 13.8411 k = 0.5000 0.2887 0.4323 ( 6818 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3309 -23.3309 -23.3195 -23.3195 -18.0653 -18.0653 -17.7898 -17.7898 -17.7504 -17.7504 -17.5870 -17.5870 -17.4771 -17.4771 -17.4228 -17.4228 -7.0496 -7.0496 -7.0044 -7.0044 -6.8255 -6.8255 -6.7568 -6.7568 -6.6970 -6.6970 -6.6894 -6.6894 -2.4502 -2.4502 -2.3325 -2.3325 -1.4024 -1.4024 -1.2193 -1.2193 -1.1024 -1.1024 -0.8312 -0.8312 0.0082 0.0082 0.2836 0.2836 0.3516 0.3516 1.1466 1.1466 1.2182 1.2182 1.4289 1.4289 1.5738 1.5738 1.6104 1.6104 1.8581 1.8581 1.9049 1.9049 2.0763 2.0763 2.2759 2.2759 3.4046 3.4046 3.6299 3.6299 3.9094 3.9094 6.4632 6.4632 6.7073 6.7073 12.6341 12.6341 12.7671 12.7671 13.5967 13.5967 13.7130 13.7130 13.7908 13.7908 13.8560 13.8560 k = 0.5000 0.2887 0.4143 ( 6802 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3312 -23.3312 -23.3195 -23.3195 -18.0724 -18.0724 -17.7874 -17.7874 -17.7479 -17.7479 -17.5800 -17.5800 -17.4785 -17.4785 -17.4254 -17.4254 -7.0491 -7.0491 -7.0036 -7.0036 -6.8248 -6.8248 -6.7559 -6.7559 -6.6971 -6.6971 -6.6891 -6.6891 -2.4495 -2.4495 -2.3313 -2.3313 -1.4004 -1.4004 -1.2196 -1.2196 -1.1114 -1.1114 -0.8449 -0.8449 0.0195 0.0195 0.2891 0.2891 0.3577 0.3577 1.1638 1.1638 1.2332 1.2332 1.4252 1.4252 1.5556 1.5556 1.5850 1.5850 1.8443 1.8443 1.9154 1.9154 2.0777 2.0777 2.2782 2.2782 3.4130 3.4130 3.6355 3.6355 3.8993 3.8993 6.4652 6.4652 6.7096 6.7096 12.5924 12.5924 12.7377 12.7377 13.6034 13.6034 13.7012 13.7012 13.8100 13.8100 13.8712 13.8712 k = 0.5000 0.2887 0.3963 ( 6810 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3315 -23.3315 -23.3195 -23.3195 -18.0797 -18.0797 -17.7848 -17.7848 -17.7453 -17.7453 -17.5729 -17.5729 -17.4800 -17.4800 -17.4282 -17.4282 -7.0487 -7.0487 -7.0027 -7.0027 -6.8240 -6.8240 -6.7551 -6.7551 -6.6974 -6.6974 -6.6888 -6.6888 -2.4488 -2.4488 -2.3301 -2.3301 -1.3981 -1.3981 -1.2212 -1.2212 -1.1200 -1.1200 -0.8581 -0.8581 0.0312 0.0312 0.2946 0.2946 0.3640 0.3640 1.1684 1.1684 1.2621 1.2621 1.4213 1.4213 1.5362 1.5362 1.5599 1.5599 1.8311 1.8311 1.9262 1.9262 2.0778 2.0778 2.2794 2.2794 3.4217 3.4217 3.6409 3.6409 3.8886 3.8886 6.4673 6.4673 6.7119 6.7119 12.5475 12.5475 12.7102 12.7102 13.6100 13.6100 13.6886 13.6886 13.8312 13.8312 13.8866 13.8866 k = 0.5000 0.2887 0.3783 ( 6820 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0497 -46.0497 -46.0048 -46.0048 -23.3318 -23.3318 -23.3195 -23.3195 -18.0870 -18.0870 -17.7820 -17.7820 -17.7424 -17.7424 -17.5659 -17.5659 -17.4814 -17.4814 -17.4312 -17.4312 -7.0482 -7.0482 -7.0018 -7.0018 -6.8232 -6.8232 -6.7541 -6.7541 -6.6976 -6.6976 -6.6886 -6.6886 -2.4483 -2.4483 -2.3289 -2.3289 -1.3956 -1.3956 -1.2245 -1.2245 -1.1273 -1.1273 -0.8706 -0.8706 0.0430 0.0430 0.3002 0.3002 0.3703 0.3703 1.1663 1.1663 1.2987 1.2987 1.4173 1.4173 1.5158 1.5158 1.5356 1.5356 1.8192 1.8192 1.9368 1.9368 2.0767 2.0767 2.2795 2.2795 3.4303 3.4303 3.6460 3.6460 3.8778 3.8778 6.4696 6.4696 6.7143 6.7143 12.5008 12.5008 12.6839 12.6839 13.6165 13.6165 13.6754 13.6754 13.8540 13.8540 13.9022 13.9022 k = 0.5000 0.2887 0.3603 ( 6824 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0497 -46.0497 -46.0048 -46.0048 -23.3321 -23.3321 -23.3195 -23.3195 -18.0944 -18.0944 -17.7791 -17.7791 -17.7394 -17.7394 -17.5592 -17.5592 -17.4827 -17.4827 -17.4344 -17.4344 -7.0477 -7.0477 -7.0008 -7.0008 -6.8223 -6.8223 -6.7532 -6.7532 -6.6978 -6.6978 -6.6883 -6.6883 -2.4480 -2.4480 -2.3277 -2.3277 -1.3930 -1.3930 -1.2299 -1.2299 -1.1327 -1.1327 -0.8822 -0.8822 0.0548 0.0548 0.3059 0.3059 0.3766 0.3766 1.1615 1.1615 1.3383 1.3383 1.4132 1.4132 1.4949 1.4949 1.5125 1.5125 1.8085 1.8085 1.9473 1.9473 2.0743 2.0743 2.2787 2.2787 3.4389 3.4389 3.6504 3.6504 3.8670 3.8670 6.4720 6.4720 6.7169 6.7169 12.4531 12.4531 12.6586 12.6586 13.6228 13.6228 13.6621 13.6621 13.8784 13.8784 13.9178 13.9178 k = 0.5000 0.2887 0.3423 ( 6816 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0497 -46.0497 -46.0048 -46.0048 -23.3324 -23.3324 -23.3195 -23.3195 -18.1018 -18.1018 -17.7760 -17.7760 -17.7362 -17.7362 -17.5528 -17.5528 -17.4837 -17.4837 -17.4377 -17.4377 -7.0471 -7.0471 -6.9999 -6.9999 -6.8215 -6.8215 -6.7522 -6.7522 -6.6980 -6.6980 -6.6880 -6.6880 -2.4477 -2.4477 -2.3263 -2.3263 -1.3903 -1.3903 -1.2375 -1.2375 -1.1358 -1.1358 -0.8929 -0.8929 0.0665 0.0665 0.3114 0.3114 0.3828 0.3828 1.1554 1.1554 1.3772 1.3772 1.4096 1.4096 1.4744 1.4744 1.4915 1.4915 1.7992 1.7992 1.9575 1.9575 2.0709 2.0709 2.2768 2.2768 3.4473 3.4473 3.6540 3.6540 3.8566 3.8566 6.4745 6.4745 6.7196 6.7196 12.4053 12.4053 12.6339 12.6339 13.6288 13.6288 13.6487 13.6487 13.9041 13.9041 13.9333 13.9333 k = 0.5000 0.2887 0.3243 ( 6822 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0497 -46.0497 -46.0048 -46.0048 -23.3327 -23.3327 -23.3195 -23.3195 -18.1091 -18.1091 -17.7728 -17.7728 -17.7329 -17.7329 -17.5471 -17.5471 -17.4844 -17.4844 -17.4410 -17.4410 -7.0466 -7.0466 -6.9989 -6.9989 -6.8205 -6.8205 -6.7512 -6.7512 -6.6983 -6.6983 -6.6877 -6.6877 -2.4477 -2.4477 -2.3250 -2.3250 -1.3878 -1.3878 -1.2469 -1.2469 -1.1367 -1.1367 -0.9027 -0.9027 0.0778 0.0778 0.3167 0.3167 0.3889 0.3889 1.1485 1.1485 1.3993 1.3993 1.4149 1.4149 1.4569 1.4569 1.4772 1.4772 1.7912 1.7912 1.9674 1.9674 2.0664 2.0664 2.2741 2.2741 3.4551 3.4551 3.6564 3.6564 3.8468 3.8468 6.4772 6.4772 6.7222 6.7222 12.3580 12.3580 12.6099 12.6099 13.6341 13.6341 13.6362 13.6362 13.9308 13.9308 13.9488 13.9488 k = 0.5000 0.2887 0.3062 ( 6840 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0497 -46.0497 -46.0048 -46.0048 -23.3330 -23.3330 -23.3195 -23.3195 -18.1163 -18.1163 -17.7695 -17.7695 -17.7295 -17.7295 -17.5422 -17.5422 -17.4846 -17.4846 -17.4444 -17.4444 -7.0460 -7.0460 -6.9980 -6.9980 -6.8196 -6.8196 -6.7502 -6.7502 -6.6986 -6.6986 -6.6874 -6.6874 -2.4478 -2.4478 -2.3237 -2.3237 -1.3860 -1.3860 -1.2572 -1.2572 -1.1357 -1.1357 -0.9117 -0.9117 0.0887 0.0887 0.3216 0.3216 0.3947 0.3947 1.1412 1.1412 1.3966 1.3966 1.4154 1.4154 1.4412 1.4412 1.4927 1.4927 1.7844 1.7844 1.9768 1.9768 2.0610 2.0610 2.2705 2.2705 3.4623 3.4623 3.6574 3.6574 3.8381 3.8381 6.4799 6.4799 6.7248 6.7248 12.3115 12.3115 12.5865 12.5865 13.6229 13.6229 13.6404 13.6404 13.9579 13.9579 13.9644 13.9644 k = 0.5000 0.2887 0.2882 ( 6846 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0497 -46.0497 -46.0048 -46.0048 -23.3333 -23.3333 -23.3196 -23.3196 -18.1233 -18.1233 -17.7661 -17.7661 -17.7260 -17.7260 -17.5383 -17.5383 -17.4841 -17.4841 -17.4477 -17.4477 -7.0454 -7.0454 -6.9970 -6.9970 -6.8187 -6.8187 -6.7492 -6.7492 -6.6988 -6.6988 -6.6871 -6.6871 -2.4480 -2.4480 -2.3223 -2.3223 -1.3852 -1.3852 -1.2672 -1.2672 -1.1333 -1.1333 -0.9198 -0.9198 0.0991 0.0991 0.3263 0.3263 0.4003 0.4003 1.1336 1.1336 1.3907 1.3907 1.4002 1.4002 1.4238 1.4238 1.5308 1.5308 1.7787 1.7787 1.9857 1.9857 2.0548 2.0548 2.2662 2.2662 3.4687 3.4687 3.6568 3.6568 3.8309 3.8309 6.4827 6.4827 6.7275 6.7275 12.2663 12.2663 12.5637 12.5637 13.6109 13.6109 13.6457 13.6457 13.9782 13.9782 13.9870 13.9870 k = 0.5000 0.2887 0.2702 ( 6840 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0497 -46.0497 -46.0048 -46.0048 -23.3336 -23.3336 -23.3196 -23.3196 -18.1300 -18.1300 -17.7626 -17.7626 -17.7224 -17.7224 -17.5355 -17.5355 -17.4831 -17.4831 -17.4509 -17.4509 -7.0448 -7.0448 -6.9961 -6.9961 -6.8177 -6.8177 -6.7482 -6.7482 -6.6991 -6.6991 -6.6868 -6.6868 -2.4484 -2.4484 -2.3210 -2.3210 -1.3860 -1.3860 -1.2760 -1.2760 -1.1297 -1.1297 -0.9271 -0.9271 0.1089 0.1089 0.3305 0.3305 0.4055 0.4055 1.1260 1.1260 1.3795 1.3795 1.3862 1.3862 1.4081 1.4081 1.5737 1.5737 1.7742 1.7742 1.9939 1.9939 2.0480 2.0480 2.2613 2.2613 3.4740 3.4740 3.6547 3.6547 3.8254 3.8254 6.4856 6.4856 6.7302 6.7302 12.2226 12.2226 12.5417 12.5417 13.5996 13.5996 13.6508 13.6508 13.9930 13.9930 14.0147 14.0147 k = 0.5000 0.2887 0.2522 ( 6842 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0497 -46.0497 -46.0048 -46.0048 -23.3339 -23.3339 -23.3196 -23.3196 -18.1365 -18.1365 -17.7592 -17.7592 -17.7188 -17.7188 -17.5339 -17.5339 -17.4815 -17.4815 -17.4538 -17.4538 -7.0441 -7.0441 -6.9952 -6.9952 -6.8168 -6.8168 -6.7473 -6.7473 -6.6994 -6.6994 -6.6865 -6.6865 -2.4489 -2.4489 -2.3197 -2.3197 -1.3890 -1.3890 -1.2825 -1.2825 -1.1254 -1.1254 -0.9337 -0.9337 0.1180 0.1180 0.3341 0.3341 0.4104 0.4104 1.1183 1.1183 1.3628 1.3628 1.3745 1.3745 1.3967 1.3967 1.6172 1.6172 1.7707 1.7707 2.0012 2.0012 2.0410 2.0410 2.2559 2.2559 3.4779 3.4779 3.6510 3.6510 3.8216 3.8216 6.4885 6.4885 6.7328 6.7328 12.1807 12.1807 12.5206 12.5206 13.5891 13.5891 13.6556 13.6556 14.0072 14.0072 14.0424 14.0424 k = 0.5000 0.2887 0.2342 ( 6830 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0497 -46.0497 -46.0048 -46.0048 -23.3342 -23.3342 -23.3197 -23.3197 -18.1427 -18.1427 -17.7557 -17.7557 -17.7152 -17.7152 -17.5333 -17.5333 -17.4798 -17.4798 -17.4561 -17.4561 -7.0435 -7.0435 -6.9943 -6.9943 -6.8159 -6.8159 -6.7464 -6.7464 -6.6996 -6.6996 -6.6862 -6.6862 -2.4495 -2.4495 -2.3183 -2.3183 -1.3944 -1.3944 -1.2863 -1.2863 -1.1206 -1.1206 -0.9396 -0.9396 0.1263 0.1263 0.3373 0.3373 0.4148 0.4148 1.1106 1.1106 1.3464 1.3464 1.3607 1.3607 1.3895 1.3895 1.6602 1.6602 1.7684 1.7684 2.0071 2.0071 2.0344 2.0344 2.2503 2.2503 3.4803 3.4803 3.6464 3.6464 3.8196 3.8196 6.4914 6.4914 6.7354 6.7354 12.1409 12.1409 12.5005 12.5005 13.5795 13.5795 13.6602 13.6602 14.0209 14.0209 14.0695 14.0695 k = 0.5000 0.2887 0.2162 ( 6842 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0497 -46.0497 -46.0048 -46.0048 -23.3345 -23.3345 -23.3197 -23.3197 -18.1485 -18.1485 -17.7523 -17.7523 -17.7116 -17.7116 -17.5336 -17.5336 -17.4787 -17.4787 -17.4574 -17.4574 -7.0429 -7.0429 -6.9935 -6.9935 -6.8150 -6.8150 -6.7455 -6.7455 -6.6999 -6.6999 -6.6860 -6.6860 -2.4503 -2.4503 -2.3171 -2.3171 -1.4020 -1.4020 -1.2875 -1.2875 -1.1154 -1.1154 -0.9449 -0.9449 0.1337 0.1337 0.3398 0.3398 0.4187 0.4187 1.1031 1.1031 1.3310 1.3310 1.3468 1.3468 1.3844 1.3844 1.7014 1.7014 1.7677 1.7677 2.0096 2.0096 2.0300 2.0300 2.2443 2.2443 3.4806 3.4806 3.6412 3.6412 3.8189 3.8189 6.4941 6.4941 6.7379 6.7379 12.1033 12.1033 12.4814 12.4814 13.5708 13.5708 13.6645 13.6645 14.0340 14.0340 14.0956 14.0956 k = 0.5000 0.2887 0.1982 ( 6838 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0497 -46.0497 -46.0048 -46.0048 -23.3347 -23.3347 -23.3197 -23.3197 -18.1540 -18.1540 -17.7489 -17.7489 -17.7080 -17.7080 -17.5345 -17.5345 -17.4786 -17.4786 -17.4572 -17.4572 -7.0423 -7.0423 -6.9927 -6.9927 -6.8141 -6.8141 -6.7447 -6.7447 -6.7001 -6.7001 -6.6857 -6.6857 -2.4511 -2.4511 -2.3159 -2.3159 -1.4112 -1.4112 -1.2864 -1.2864 -1.1101 -1.1101 -0.9495 -0.9495 0.1404 0.1404 0.3418 0.3418 0.4221 0.4221 1.0959 1.0959 1.3168 1.3168 1.3338 1.3338 1.3802 1.3802 1.7371 1.7371 1.7719 1.7719 2.0067 2.0067 2.0304 2.0304 2.2384 2.2384 3.4789 3.4789 3.6362 3.6362 3.8195 3.8195 6.4969 6.4969 6.7404 6.7404 12.0682 12.0682 12.4635 12.4635 13.5630 13.5630 13.6684 13.6684 14.0465 14.0465 14.1204 14.1204 k = 0.5000 0.2887 0.1801 ( 6830 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3350 -23.3350 -23.3198 -23.3198 -18.1590 -18.1590 -17.7456 -17.7456 -17.7045 -17.7045 -17.5358 -17.5358 -17.4797 -17.4797 -17.4556 -17.4556 -7.0417 -7.0417 -6.9920 -6.9920 -6.8132 -6.8132 -6.7439 -6.7439 -6.7004 -6.7004 -6.6855 -6.6855 -2.4519 -2.4519 -2.3148 -2.3148 -1.4213 -1.4213 -1.2837 -1.2837 -1.1048 -1.1048 -0.9535 -0.9535 0.1462 0.1462 0.3433 0.3433 0.4249 0.4249 1.0891 1.0891 1.3037 1.3037 1.3225 1.3225 1.3765 1.3765 1.7536 1.7536 1.7940 1.7940 2.0001 2.0001 2.0337 2.0337 2.2325 2.2325 3.4751 3.4751 3.6319 3.6319 3.8208 3.8208 6.4996 6.4996 6.7426 6.7426 12.0356 12.0356 12.4468 12.4468 13.5561 13.5561 13.6721 13.6721 14.0583 14.0583 14.1436 14.1436 k = 0.5000 0.2887 0.1621 ( 6838 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3352 -23.3352 -23.3198 -23.3198 -18.1637 -18.1637 -17.7425 -17.7425 -17.7011 -17.7011 -17.5374 -17.5374 -17.4817 -17.4817 -17.4532 -17.4532 -7.0412 -7.0412 -6.9913 -6.9913 -6.8124 -6.8124 -6.7432 -6.7432 -6.7006 -6.7006 -6.6853 -6.6853 -2.4529 -2.4529 -2.3138 -2.3138 -1.4317 -1.4317 -1.2801 -1.2801 -1.0996 -1.0996 -0.9570 -0.9570 0.1511 0.1511 0.3442 0.3442 0.4273 0.4273 1.0827 1.0827 1.2919 1.2919 1.3128 1.3128 1.3733 1.3733 1.7566 1.7566 1.8278 1.8278 1.9924 1.9924 2.0375 2.0375 2.2268 2.2268 3.4692 3.4692 3.6285 3.6285 3.8228 3.8228 6.5021 6.5021 6.7447 6.7447 12.0057 12.0057 12.4315 12.4315 13.5500 13.5500 13.6754 13.6754 14.0692 14.0692 14.1649 14.1649 k = 0.5000 0.2887 0.1441 ( 6832 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3354 -23.3354 -23.3198 -23.3198 -18.1679 -18.1679 -17.7396 -17.7396 -17.6979 -17.6979 -17.5392 -17.5392 -17.4841 -17.4841 -17.4503 -17.4503 -7.0407 -7.0407 -6.9907 -6.9907 -6.8117 -6.8117 -6.7425 -6.7425 -6.7008 -6.7008 -6.6851 -6.6851 -2.4537 -2.4537 -2.3129 -2.3129 -1.4417 -1.4417 -1.2758 -1.2758 -1.0946 -1.0946 -0.9600 -0.9600 0.1554 0.1554 0.3447 0.3447 0.4291 0.4291 1.0768 1.0768 1.2812 1.2812 1.3048 1.3048 1.3705 1.3705 1.7575 1.7575 1.8617 1.8617 1.9846 1.9846 2.0411 2.0411 2.2215 2.2215 3.4618 3.4618 3.6261 3.6261 3.8250 3.8250 6.5045 6.5045 6.7467 6.7467 11.9786 11.9786 12.4177 12.4177 13.5448 13.5448 13.6784 13.6784 14.0794 14.0794 14.1840 14.1840 k = 0.5000 0.2887 0.1261 ( 6830 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3356 -23.3356 -23.3199 -23.3199 -18.1717 -18.1717 -17.7369 -17.7369 -17.6949 -17.6949 -17.5409 -17.5409 -17.4865 -17.4865 -17.4474 -17.4474 -7.0402 -7.0402 -6.9902 -6.9902 -6.8110 -6.8110 -6.7419 -6.7419 -6.7010 -6.7010 -6.6849 -6.6849 -2.4546 -2.4546 -2.3120 -2.3120 -1.4512 -1.4512 -1.2715 -1.2715 -1.0900 -1.0900 -0.9624 -0.9624 0.1588 0.1588 0.3448 0.3448 0.4305 0.4305 1.0715 1.0715 1.2719 1.2719 1.2983 1.2983 1.3680 1.3680 1.7580 1.7580 1.8934 1.8934 1.9770 1.9770 2.0442 2.0442 2.2166 2.2166 3.4534 3.4534 3.6246 3.6246 3.8273 3.8273 6.5067 6.5067 6.7484 6.7484 11.9545 11.9545 12.4053 12.4053 13.5404 13.5404 13.6811 13.6811 14.0886 14.0886 14.2009 14.2009 k = 0.5000 0.2887 0.1081 ( 6824 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3357 -23.3357 -23.3199 -23.3199 -18.1750 -18.1750 -17.7344 -17.7344 -17.6922 -17.6922 -17.5426 -17.5426 -17.4889 -17.4889 -17.4447 -17.4447 -7.0398 -7.0398 -6.9897 -6.9897 -6.8104 -6.8104 -6.7414 -6.7414 -6.7011 -6.7011 -6.6848 -6.6848 -2.4553 -2.4553 -2.3112 -2.3112 -1.4597 -1.4597 -1.2672 -1.2672 -1.0857 -1.0857 -0.9644 -0.9644 0.1617 0.1617 0.3446 0.3446 0.4315 0.4315 1.0669 1.0669 1.2638 1.2638 1.2932 1.2932 1.3659 1.3659 1.7585 1.7585 1.9220 1.9220 1.9700 1.9700 2.0468 2.0468 2.2122 2.2122 3.4444 3.4444 3.6239 3.6239 3.8296 3.8296 6.5087 6.5087 6.7500 6.7500 11.9334 11.9334 12.3944 12.3944 13.5368 13.5368 13.6834 13.6834 14.0967 14.0967 14.2150 14.2150 k = 0.5000 0.2887 0.0901 ( 6822 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3359 -23.3359 -23.3199 -23.3199 -18.1778 -18.1778 -17.7322 -17.7322 -17.6898 -17.6898 -17.5442 -17.5442 -17.4911 -17.4911 -17.4423 -17.4423 -7.0394 -7.0394 -6.9893 -6.9893 -6.8099 -6.8099 -6.7410 -6.7410 -6.7013 -6.7013 -6.6846 -6.6846 -2.4561 -2.4561 -2.3106 -2.3106 -1.4672 -1.4672 -1.2633 -1.2633 -1.0821 -1.0821 -0.9660 -0.9660 0.1639 0.1639 0.3442 0.3442 0.4322 0.4322 1.0629 1.0629 1.2571 1.2571 1.2893 1.2893 1.3642 1.3642 1.7590 1.7590 1.9471 1.9471 1.9637 1.9637 2.0488 2.0488 2.2085 2.2085 3.4357 3.4357 3.6237 3.6237 3.8317 3.8317 6.5104 6.5104 6.7514 6.7514 11.9154 11.9154 12.3851 12.3851 13.5338 13.5338 13.6854 13.6854 14.1038 14.1038 14.2094 14.2094 k = 0.5000 0.2887 0.0721 ( 6826 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3360 -23.3360 -23.3199 -23.3199 -18.1801 -18.1801 -17.7304 -17.7304 -17.6877 -17.6877 -17.5456 -17.5456 -17.4929 -17.4929 -17.4402 -17.4402 -7.0391 -7.0391 -6.9889 -6.9889 -6.8094 -6.8094 -6.7407 -6.7407 -6.7014 -6.7014 -6.6845 -6.6845 -2.4567 -2.4567 -2.3101 -2.3101 -1.4735 -1.4735 -1.2600 -1.2600 -1.0790 -1.0790 -0.9673 -0.9673 0.1655 0.1655 0.3438 0.3438 0.4327 0.4327 1.0596 1.0596 1.2516 1.2516 1.2863 1.2863 1.3627 1.3627 1.7595 1.7595 1.9580 1.9580 1.9686 1.9686 2.0503 2.0503 2.2054 2.2054 3.4277 3.4277 3.6237 3.6237 3.8335 3.8335 6.5118 6.5118 6.7525 6.7525 11.9006 11.9006 12.3775 12.3775 13.5314 13.5314 13.6870 13.6870 14.1098 14.1098 14.2000 14.2000 k = 0.5000 0.2887 0.0540 ( 6818 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3361 -23.3361 -23.3199 -23.3199 -18.1819 -18.1819 -17.7289 -17.7289 -17.6861 -17.6861 -17.5467 -17.5467 -17.4945 -17.4945 -17.4385 -17.4385 -7.0389 -7.0389 -6.9887 -6.9887 -6.8091 -6.8091 -6.7404 -6.7404 -6.7015 -6.7015 -6.6844 -6.6844 -2.4572 -2.4572 -2.3097 -2.3097 -1.4785 -1.4785 -1.2572 -1.2572 -1.0766 -1.0766 -0.9682 -0.9682 0.1668 0.1668 0.3433 0.3433 0.4330 0.4330 1.0571 1.0571 1.2473 1.2473 1.2843 1.2843 1.3616 1.3616 1.7599 1.7599 1.9538 1.9538 1.9853 1.9853 2.0513 2.0513 2.2030 2.2030 3.4209 3.4209 3.6239 3.6239 3.8350 3.8350 6.5130 6.5130 6.7534 6.7534 11.8890 11.8890 12.3716 12.3716 13.5296 13.5296 13.6882 13.6882 14.1145 14.1145 14.1926 14.1926 k = 0.5000 0.2887 0.0360 ( 6820 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3361 -23.3361 -23.3200 -23.3200 -18.1832 -18.1832 -17.7279 -17.7279 -17.6849 -17.6849 -17.5476 -17.5476 -17.4956 -17.4956 -17.4373 -17.4373 -7.0387 -7.0387 -6.9885 -6.9885 -6.8088 -6.8088 -6.7402 -6.7402 -6.7015 -6.7015 -6.6844 -6.6844 -2.4575 -2.4575 -2.3094 -2.3094 -1.4821 -1.4821 -1.2551 -1.2551 -1.0748 -1.0748 -0.9688 -0.9688 0.1676 0.1676 0.3429 0.3429 0.4331 0.4331 1.0553 1.0553 1.2443 1.2443 1.2829 1.2829 1.3608 1.3608 1.7602 1.7602 1.9506 1.9506 1.9976 1.9976 2.0520 2.0520 2.2013 2.2013 3.4158 3.4158 3.6242 3.6242 3.8361 3.8361 6.5138 6.5138 6.7540 6.7540 11.8807 11.8807 12.3673 12.3673 13.5284 13.5284 13.6891 13.6891 14.1179 14.1179 14.1872 14.1872 k = 0.5000 0.2887 0.0180 ( 6826 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3362 -23.3362 -23.3200 -23.3200 -18.1840 -18.1840 -17.7272 -17.7272 -17.6842 -17.6842 -17.5481 -17.5481 -17.4963 -17.4963 -17.4366 -17.4366 -7.0386 -7.0386 -6.9883 -6.9883 -6.8087 -6.8087 -6.7401 -6.7401 -6.7016 -6.7016 -6.6844 -6.6844 -2.4578 -2.4578 -2.3092 -2.3092 -1.4843 -1.4843 -1.2539 -1.2539 -1.0737 -1.0737 -0.9691 -0.9691 0.1681 0.1681 0.3427 0.3427 0.4332 0.4332 1.0541 1.0541 1.2425 1.2425 1.2821 1.2821 1.3603 1.3603 1.7604 1.7604 1.9487 1.9487 2.0050 2.0050 2.0524 2.0524 2.2003 2.2003 3.4126 3.4126 3.6243 3.6243 3.8367 3.8367 6.5142 6.5142 6.7544 6.7544 11.8757 11.8757 12.3647 12.3647 13.5277 13.5277 13.6897 13.6897 14.1200 14.1200 14.1840 14.1840 k = 0.5000 0.2887-0.0000 ( 6836 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3362 -23.3362 -23.3200 -23.3200 -18.1843 -18.1843 -17.7270 -17.7270 -17.6839 -17.6839 -17.5483 -17.5483 -17.4965 -17.4965 -17.4363 -17.4363 -7.0386 -7.0386 -6.9883 -6.9883 -6.8086 -6.8086 -6.7400 -6.7400 -6.7016 -6.7016 -6.6843 -6.6843 -2.4579 -2.4579 -2.3092 -2.3092 -1.4850 -1.4850 -1.2535 -1.2535 -1.0734 -1.0734 -0.9693 -0.9693 0.1682 0.1682 0.3426 0.3426 0.4332 0.4332 1.0537 1.0537 1.2419 1.2419 1.2818 1.2818 1.3601 1.3601 1.7605 1.7605 1.9480 1.9480 2.0075 2.0075 2.0525 2.0525 2.1999 2.1999 3.4115 3.4115 3.6243 3.6243 3.8369 3.8369 6.5144 6.5144 6.7545 6.7545 11.8741 11.8741 12.3638 12.3638 13.5274 13.5274 13.6898 13.6898 14.1207 14.1207 14.1829 14.1829 k = 0.3333 0.5774-0.0000 ( 6837 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3278 -23.3278 -23.3277 -23.3277 -18.1822 -18.1822 -17.7119 -17.7119 -17.7111 -17.7111 -17.5387 -17.5387 -17.5016 -17.5016 -17.4345 -17.4345 -7.0120 -7.0120 -7.0080 -7.0080 -6.7921 -6.7921 -6.7403 -6.7403 -6.7141 -6.7141 -6.6677 -6.6677 -2.4053 -2.4053 -2.3831 -2.3831 -1.4783 -1.4783 -1.2269 -1.2269 -1.1057 -1.1057 -0.9711 -0.9711 0.2623 0.2623 0.3443 0.3443 0.4164 0.4164 1.1359 1.1359 1.1497 1.1497 1.3431 1.3431 1.4263 1.4263 1.4528 1.4528 2.0065 2.0065 2.0425 2.0425 2.0646 2.0646 2.0833 2.0833 3.4665 3.4665 3.6453 3.6453 3.8151 3.8151 6.6168 6.6168 6.6218 6.6218 12.4070 12.4070 12.4124 12.4124 13.0548 13.0548 14.0065 14.0065 14.2169 14.2169 14.2169 14.2169 k = 0.3333 0.5774 0.0180 ( 6849 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3278 -23.3278 -23.3277 -23.3277 -18.1819 -18.1819 -17.7122 -17.7122 -17.7113 -17.7113 -17.5385 -17.5385 -17.5014 -17.5014 -17.4348 -17.4348 -7.0120 -7.0120 -7.0081 -7.0081 -6.7922 -6.7922 -6.7403 -6.7403 -6.7141 -6.7141 -6.6677 -6.6677 -2.4053 -2.4053 -2.3831 -2.3831 -1.4775 -1.4775 -1.2274 -1.2274 -1.1062 -1.1062 -0.9709 -0.9709 0.2622 0.2622 0.3442 0.3442 0.4162 0.4162 1.1365 1.1365 1.1501 1.1501 1.3433 1.3433 1.4264 1.4264 1.4528 1.4528 2.0041 2.0041 2.0429 2.0429 2.0652 2.0652 2.0830 2.0830 3.4678 3.4678 3.6448 3.6448 3.8149 3.8149 6.6166 6.6166 6.6216 6.6216 12.4082 12.4082 12.4136 12.4136 13.0554 13.0554 14.0058 14.0058 14.2156 14.2156 14.2156 14.2156 k = 0.3333 0.5774 0.0360 ( 6843 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3277 -23.3277 -23.3277 -23.3277 -18.1811 -18.1811 -17.7129 -17.7129 -17.7120 -17.7120 -17.5379 -17.5379 -17.5008 -17.5008 -17.4356 -17.4356 -7.0120 -7.0120 -7.0082 -7.0082 -6.7923 -6.7923 -6.7403 -6.7403 -6.7141 -6.7141 -6.6678 -6.6678 -2.4052 -2.4052 -2.3831 -2.3831 -1.4750 -1.4750 -1.2286 -1.2286 -1.1076 -1.1076 -0.9702 -0.9702 0.2621 0.2621 0.3439 0.3439 0.4156 0.4156 1.1382 1.1382 1.1515 1.1515 1.3442 1.3442 1.4268 1.4268 1.4530 1.4530 1.9970 1.9970 2.0443 2.0443 2.0670 2.0670 2.0821 2.0821 3.4718 3.4718 3.6436 3.6436 3.8144 3.8144 6.6162 6.6162 6.6213 6.6213 12.4118 12.4118 12.4172 12.4172 13.0572 13.0572 14.0038 14.0038 14.2117 14.2117 14.2118 14.2118 k = 0.3333 0.5774 0.0540 ( 6840 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3277 -23.3277 -23.3277 -23.3277 -18.1798 -18.1798 -17.7140 -17.7140 -17.7131 -17.7131 -17.5369 -17.5369 -17.4997 -17.4997 -17.4369 -17.4369 -7.0121 -7.0121 -7.0085 -7.0085 -6.7926 -6.7926 -6.7404 -6.7404 -6.7142 -6.7142 -6.6680 -6.6680 -2.4049 -2.4049 -2.3831 -2.3831 -1.4708 -1.4708 -1.2307 -1.2307 -1.1101 -1.1101 -0.9691 -0.9691 0.2618 0.2618 0.3435 0.3435 0.4146 0.4146 1.1411 1.1411 1.1538 1.1538 1.3456 1.3456 1.4274 1.4274 1.4532 1.4532 1.9853 1.9853 2.0464 2.0464 2.0700 2.0700 2.0808 2.0808 3.4784 3.4784 3.6416 3.6416 3.8135 3.8135 6.6154 6.6154 6.6208 6.6208 12.4179 12.4179 12.4232 12.4232 13.0601 13.0601 14.0003 14.0003 14.2055 14.2055 14.2055 14.2055 k = 0.3333 0.5774 0.0721 ( 6825 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3276 -23.3276 -23.3276 -23.3276 -18.1779 -18.1779 -17.7155 -17.7155 -17.7146 -17.7146 -17.5356 -17.5356 -17.4982 -17.4982 -17.4388 -17.4388 -7.0122 -7.0122 -7.0089 -7.0089 -6.7929 -6.7929 -6.7404 -6.7404 -6.7142 -6.7142 -6.6682 -6.6682 -2.4046 -2.4046 -2.3831 -2.3831 -1.4651 -1.4651 -1.2335 -1.2335 -1.1134 -1.1134 -0.9676 -0.9676 0.2613 0.2613 0.3427 0.3427 0.4133 0.4133 1.1453 1.1453 1.1571 1.1571 1.3477 1.3477 1.4285 1.4285 1.4537 1.4537 1.9690 1.9690 2.0489 2.0489 2.0741 2.0741 2.0794 2.0794 3.4873 3.4873 3.6388 3.6388 3.8124 3.8124 6.6144 6.6144 6.6200 6.6200 12.4263 12.4263 12.4316 12.4316 13.0641 13.0641 13.9953 13.9953 14.1970 14.1970 14.1971 14.1971 k = 0.3333 0.5774 0.0901 ( 6819 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3276 -23.3276 -23.3275 -23.3275 -18.1756 -18.1756 -17.7175 -17.7175 -17.7165 -17.7165 -17.5341 -17.5341 -17.4964 -17.4964 -17.4411 -17.4411 -7.0123 -7.0123 -7.0094 -7.0094 -6.7934 -6.7934 -6.7405 -6.7405 -6.7143 -6.7143 -6.6685 -6.6685 -2.4042 -2.4042 -2.3832 -2.3832 -1.4579 -1.4579 -1.2370 -1.2370 -1.1175 -1.1175 -0.9656 -0.9656 0.2606 0.2606 0.3416 0.3416 0.4116 0.4116 1.1505 1.1505 1.1613 1.1613 1.3503 1.3503 1.4300 1.4300 1.4544 1.4544 1.9484 1.9484 2.0512 2.0512 2.0786 2.0786 2.0791 2.0791 3.4982 3.4982 3.6353 3.6353 3.8110 3.8110 6.6131 6.6131 6.6191 6.6191 12.4370 12.4370 12.4424 12.4424 13.0691 13.0691 13.9888 13.9888 14.1867 14.1867 14.1867 14.1867 k = 0.3333 0.5774 0.1081 ( 6810 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3275 -23.3275 -23.3275 -23.3275 -18.1727 -18.1727 -17.7197 -17.7197 -17.7187 -17.7187 -17.5322 -17.5322 -17.4942 -17.4942 -17.4439 -17.4439 -7.0124 -7.0124 -7.0100 -7.0100 -6.7939 -6.7939 -6.7406 -6.7406 -6.7143 -6.7143 -6.6688 -6.6688 -2.4038 -2.4038 -2.3832 -2.3832 -1.4491 -1.4491 -1.2412 -1.2412 -1.1224 -1.1224 -0.9631 -0.9631 0.2595 0.2595 0.3401 0.3401 0.4094 0.4094 1.1570 1.1570 1.1663 1.1663 1.3534 1.3534 1.4321 1.4321 1.4555 1.4555 1.9238 1.9238 2.0522 2.0522 2.0793 2.0793 2.0850 2.0850 3.5109 3.5109 3.6309 3.6309 3.8094 3.8094 6.6116 6.6116 6.6180 6.6180 12.4501 12.4501 12.4555 12.4555 13.0751 13.0751 13.9808 13.9808 14.1747 14.1747 14.1748 14.1748 k = 0.3333 0.5774 0.1261 ( 6828 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3274 -23.3274 -23.3274 -23.3274 -18.1693 -18.1693 -17.7223 -17.7223 -17.7212 -17.7212 -17.5302 -17.5302 -17.4918 -17.4918 -17.4472 -17.4472 -7.0126 -7.0126 -7.0107 -7.0107 -6.7945 -6.7945 -6.7407 -6.7407 -6.7144 -6.7144 -6.6692 -6.6692 -2.4034 -2.4034 -2.3834 -2.3834 -1.4389 -1.4389 -1.2459 -1.2459 -1.1279 -1.1279 -0.9602 -0.9602 0.2579 0.2579 0.3379 0.3379 0.4068 0.4068 1.1646 1.1646 1.1722 1.1722 1.3570 1.3570 1.4348 1.4348 1.4570 1.4570 1.8955 1.8955 2.0510 2.0510 2.0822 2.0822 2.0917 2.0917 3.5247 3.5247 3.6258 3.6258 3.8077 3.8077 6.6097 6.6097 6.6166 6.6166 12.4654 12.4654 12.4709 12.4709 13.0821 13.0821 13.9711 13.9711 14.1613 14.1613 14.1614 14.1614 k = 0.3333 0.5774 0.1441 ( 6822 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3273 -23.3273 -23.3273 -23.3273 -18.1654 -18.1654 -17.7252 -17.7252 -17.7240 -17.7240 -17.5281 -17.5281 -17.4891 -17.4891 -17.4509 -17.4509 -7.0128 -7.0128 -7.0115 -7.0115 -6.7952 -6.7952 -6.7408 -6.7408 -6.7145 -6.7145 -6.6696 -6.6696 -2.4029 -2.4029 -2.3836 -2.3836 -1.4274 -1.4274 -1.2511 -1.2511 -1.1338 -1.1338 -0.9569 -0.9569 0.2558 0.2558 0.3352 0.3352 0.4039 0.4039 1.1734 1.1734 1.1790 1.1790 1.3612 1.3612 1.4385 1.4385 1.4592 1.4592 1.8641 1.8641 2.0477 2.0477 2.0871 2.0871 2.0989 2.0989 3.5394 3.5394 3.6200 3.6200 3.8062 3.8062 6.6076 6.6076 6.6151 6.6151 12.4831 12.4831 12.4886 12.4886 13.0898 13.0898 13.9600 13.9600 14.1469 14.1469 14.1471 14.1471 k = 0.3333 0.5774 0.1621 ( 6816 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3272 -23.3272 -23.3271 -23.3271 -18.1611 -18.1611 -17.7282 -17.7282 -17.7270 -17.7270 -17.5260 -17.5260 -17.4862 -17.4862 -17.4548 -17.4548 -7.0130 -7.0130 -7.0124 -7.0124 -6.7960 -6.7960 -6.7410 -6.7410 -6.7146 -6.7146 -6.6701 -6.6701 -2.4025 -2.4025 -2.3839 -2.3839 -1.4147 -1.4147 -1.2567 -1.2567 -1.1401 -1.1401 -0.9530 -0.9530 0.2531 0.2531 0.3318 0.3318 0.4005 0.4005 1.1833 1.1833 1.1865 1.1865 1.3659 1.3659 1.4431 1.4431 1.4621 1.4621 1.8298 1.8298 2.0428 2.0428 2.0934 2.0934 2.1066 2.1066 3.5546 3.5546 3.6135 3.6135 3.8049 3.8049 6.6054 6.6054 6.6135 6.6135 12.5028 12.5028 12.5084 12.5084 13.0981 13.0981 13.9475 13.9475 14.1318 14.1318 14.1320 14.1320 k = 0.3333 0.5774 0.1801 ( 6816 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3270 -23.3270 -23.3270 -23.3270 -18.1563 -18.1563 -17.7315 -17.7315 -17.7302 -17.7302 -17.5240 -17.5240 -17.4830 -17.4830 -17.4590 -17.4590 -7.0134 -7.0134 -7.0133 -7.0133 -6.7968 -6.7968 -6.7411 -6.7411 -6.7147 -6.7147 -6.6706 -6.6706 -2.4020 -2.4020 -2.3843 -2.3843 -1.4010 -1.4010 -1.2625 -1.2625 -1.1465 -1.1465 -0.9486 -0.9486 0.2497 0.2497 0.3276 0.3276 0.3968 0.3968 1.1941 1.1941 1.1947 1.1947 1.3710 1.3710 1.4489 1.4489 1.4659 1.4659 1.7930 1.7930 2.0368 2.0368 2.1006 2.1006 2.1146 2.1146 3.5696 3.5696 3.6064 3.6064 3.8041 3.8041 6.6029 6.6029 6.6117 6.6117 12.5248 12.5248 12.5304 12.5304 13.1070 13.1070 13.9338 13.9338 14.1161 14.1161 14.1164 14.1164 k = 0.3333 0.5774 0.1982 ( 6822 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3269 -23.3269 -23.3269 -23.3269 -18.1511 -18.1511 -17.7348 -17.7348 -17.7335 -17.7335 -17.5223 -17.5223 -17.4798 -17.4798 -17.4632 -17.4632 -7.0144 -7.0144 -7.0136 -7.0136 -6.7977 -6.7977 -6.7413 -6.7413 -6.7148 -6.7148 -6.6711 -6.6711 -2.4015 -2.4015 -2.3847 -2.3847 -1.3863 -1.3863 -1.2685 -1.2685 -1.1530 -1.1530 -0.9438 -0.9438 0.2456 0.2456 0.3226 0.3226 0.3927 0.3927 1.2033 1.2033 1.2058 1.2058 1.3765 1.3765 1.4560 1.4560 1.4708 1.4708 1.7542 1.7542 2.0299 2.0299 2.1081 2.1081 2.1227 2.1227 3.5840 3.5840 3.5986 3.5986 3.8041 3.8041 6.6003 6.6003 6.6098 6.6098 12.5487 12.5487 12.5544 12.5544 13.1164 13.1164 13.9191 13.9191 14.1000 14.1000 14.1005 14.1005 k = 0.3333 0.5774 0.2162 ( 6822 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3268 -23.3268 -23.3267 -23.3267 -18.1455 -18.1455 -17.7383 -17.7383 -17.7370 -17.7370 -17.5211 -17.5211 -17.4765 -17.4765 -17.4673 -17.4673 -7.0155 -7.0155 -7.0139 -7.0139 -6.7986 -6.7986 -6.7414 -6.7414 -6.7150 -6.7150 -6.6717 -6.6717 -2.4011 -2.4011 -2.3853 -2.3853 -1.3709 -1.3709 -1.2747 -1.2747 -1.1592 -1.1592 -0.9384 -0.9384 0.2407 0.2407 0.3168 0.3168 0.3882 0.3882 1.2123 1.2123 1.2181 1.2181 1.3825 1.3825 1.4644 1.4644 1.4769 1.4769 1.7139 1.7139 2.0223 2.0223 2.1159 2.1159 2.1308 2.1308 3.5902 3.5902 3.5973 3.5973 3.8051 3.8051 6.5975 6.5975 6.6078 6.6078 12.5746 12.5746 12.5804 12.5804 13.1260 13.1260 13.9037 13.9037 14.0839 14.0839 14.0844 14.0844 k = 0.3333 0.5774 0.2342 ( 6828 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0497 -46.0497 -46.0048 -46.0048 -23.3266 -23.3266 -23.3266 -23.3266 -18.1395 -18.1395 -17.7418 -17.7418 -17.7405 -17.7405 -17.5206 -17.5206 -17.4731 -17.4731 -17.4710 -17.4710 -7.0166 -7.0166 -7.0142 -7.0142 -6.7996 -6.7996 -6.7416 -6.7416 -6.7152 -6.7152 -6.6722 -6.6722 -2.4008 -2.4008 -2.3859 -2.3859 -1.3551 -1.3551 -1.2807 -1.2807 -1.1650 -1.1650 -0.9325 -0.9325 0.2351 0.2351 0.3102 0.3102 0.3833 0.3833 1.2215 1.2215 1.2310 1.2310 1.3886 1.3886 1.4743 1.4743 1.4843 1.4843 1.6725 1.6725 2.0139 2.0139 2.1235 2.1235 2.1387 2.1387 3.5813 3.5813 3.6088 3.6088 3.8075 3.8075 6.5946 6.5946 6.6057 6.6057 12.6023 12.6023 12.6082 12.6082 13.1357 13.1357 13.8880 13.8880 14.0678 14.0678 14.0684 14.0684 k = 0.3333 0.5774 0.2522 ( 6816 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3265 -23.3265 -23.3264 -23.3264 -18.1331 -18.1331 -17.7454 -17.7454 -17.7441 -17.7441 -17.5212 -17.5212 -17.4740 -17.4740 -17.4696 -17.4696 -7.0178 -7.0178 -7.0145 -7.0145 -6.8006 -6.8006 -6.7418 -6.7418 -6.7154 -6.7154 -6.6728 -6.6728 -2.4004 -2.4004 -2.3867 -2.3867 -1.3393 -1.3393 -1.2867 -1.2867 -1.1700 -1.1700 -0.9259 -0.9259 0.2288 0.2288 0.3028 0.3028 0.3782 0.3782 1.2308 1.2308 1.2441 1.2441 1.3949 1.3949 1.4857 1.4857 1.4932 1.4932 1.6305 1.6305 2.0050 2.0050 2.1310 2.1310 2.1463 2.1463 3.5720 3.5720 3.6182 3.6182 3.8117 3.8117 6.5917 6.5917 6.6036 6.6036 12.6317 12.6317 12.6377 12.6377 13.1454 13.1454 13.8721 13.8721 14.0519 14.0519 14.0526 14.0526 k = 0.3333 0.5774 0.2702 ( 6804 PWs) bands (ev): -81.7074 -81.7074 -50.5040 -50.5040 -46.0497 -46.0497 -46.0048 -46.0048 -23.3263 -23.3263 -23.3263 -23.3263 -18.1264 -18.1264 -17.7489 -17.7489 -17.7476 -17.7476 -17.5230 -17.5230 -17.4761 -17.4761 -17.4662 -17.4662 -7.0190 -7.0190 -7.0148 -7.0148 -6.8016 -6.8016 -6.7419 -6.7419 -6.7156 -6.7156 -6.6733 -6.6733 -2.4001 -2.4001 -2.3875 -2.3875 -1.3239 -1.3239 -1.2925 -1.2925 -1.1738 -1.1738 -0.9186 -0.9186 0.2218 0.2218 0.2947 0.2947 0.3728 0.3728 1.2398 1.2398 1.2572 1.2572 1.4009 1.4009 1.4980 1.4980 1.5038 1.5038 1.5893 1.5893 1.9956 1.9956 2.1380 2.1380 2.1535 2.1535 3.5622 3.5622 3.6252 3.6252 3.8178 3.8178 6.5888 6.5888 6.6014 6.6014 12.6628 12.6628 12.6688 12.6688 13.1549 13.1549 13.8563 13.8563 14.0362 14.0362 14.0371 14.0371 k = 0.3333 0.5774 0.2882 ( 6819 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0497 -46.0497 -46.0048 -46.0048 -23.3261 -23.3261 -23.3261 -23.3261 -18.1195 -18.1195 -17.7524 -17.7524 -17.7512 -17.7512 -17.5263 -17.5263 -17.4770 -17.4770 -17.4628 -17.4628 -7.0203 -7.0203 -7.0152 -7.0152 -6.8026 -6.8026 -6.7421 -6.7421 -6.7158 -6.7158 -6.6739 -6.6739 -2.4000 -2.4000 -2.3886 -2.3886 -1.3095 -1.3095 -1.2981 -1.2981 -1.1761 -1.1761 -0.9108 -0.9108 0.2142 0.2142 0.2860 0.2860 0.3671 0.3671 1.2485 1.2485 1.2700 1.2700 1.4058 1.4058 1.5089 1.5089 1.5161 1.5161 1.5522 1.5522 1.9857 1.9857 2.1445 2.1445 2.1601 2.1601 3.5521 3.5521 3.6296 3.6296 3.8256 3.8256 6.5857 6.5857 6.5992 6.5992 12.6952 12.6952 12.7013 12.7013 13.1641 13.1641 13.8408 13.8408 14.0209 14.0209 14.0219 14.0219 k = 0.3333 0.5774 0.3062 ( 6819 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0497 -46.0497 -46.0048 -46.0048 -23.3260 -23.3260 -23.3259 -23.3259 -18.1123 -18.1123 -17.7559 -17.7559 -17.7547 -17.7547 -17.5309 -17.5309 -17.4770 -17.4770 -17.4594 -17.4594 -7.0216 -7.0216 -7.0155 -7.0155 -6.8036 -6.8036 -6.7423 -6.7423 -6.7160 -6.7160 -6.6744 -6.6744 -2.3999 -2.3999 -2.3896 -2.3896 -1.3034 -1.3034 -1.2969 -1.2969 -1.1762 -1.1762 -0.9022 -0.9022 0.2061 0.2061 0.2767 0.2767 0.3612 0.3612 1.2565 1.2565 1.2823 1.2823 1.4075 1.4075 1.4995 1.4995 1.5303 1.5303 1.5407 1.5407 1.9754 1.9754 2.1504 2.1504 2.1661 2.1661 3.5417 3.5417 3.6316 3.6316 3.8351 3.8351 6.5826 6.5826 6.5970 6.5970 12.7288 12.7288 12.7351 12.7351 13.1729 13.1729 13.8258 13.8258 14.0061 14.0061 14.0073 14.0073 k = 0.3333 0.5774 0.3243 ( 6813 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0497 -46.0497 -46.0048 -46.0048 -23.3258 -23.3258 -23.3258 -23.3258 -18.1049 -18.1049 -17.7592 -17.7592 -17.7581 -17.7581 -17.5365 -17.5365 -17.4762 -17.4762 -17.4562 -17.4562 -7.0228 -7.0228 -7.0159 -7.0159 -6.8046 -6.8046 -6.7424 -6.7424 -6.7163 -6.7163 -6.6749 -6.6749 -2.3999 -2.3999 -2.3908 -2.3908 -1.3084 -1.3084 -1.2867 -1.2867 -1.1735 -1.1735 -0.8928 -0.8928 0.1975 0.1975 0.2671 0.2671 0.3551 0.3551 1.2637 1.2637 1.2940 1.2940 1.4001 1.4001 1.4764 1.4764 1.5462 1.5462 1.5546 1.5546 1.9647 1.9647 2.1555 2.1555 2.1713 2.1713 3.5311 3.5311 3.6316 3.6316 3.8459 3.8459 6.5796 6.5796 6.5948 6.5948 12.7635 12.7635 12.7699 12.7699 13.1812 13.1812 13.8114 13.8114 13.9919 13.9919 13.9932 13.9932 k = 0.3333 0.5774 0.3423 ( 6816 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0497 -46.0497 -46.0048 -46.0048 -23.3256 -23.3256 -23.3256 -23.3256 -18.0974 -18.0974 -17.7625 -17.7625 -17.7614 -17.7614 -17.5429 -17.5429 -17.4749 -17.4749 -17.4530 -17.4530 -7.0241 -7.0241 -7.0163 -7.0163 -6.8056 -6.8056 -6.7426 -6.7426 -6.7166 -6.7166 -6.6754 -6.6754 -2.4000 -2.4000 -2.3921 -2.3921 -1.3130 -1.3130 -1.2795 -1.2795 -1.1679 -1.1679 -0.8826 -0.8826 0.1886 0.1886 0.2571 0.2571 0.3490 0.3490 1.2695 1.2695 1.3049 1.3049 1.3775 1.3775 1.4666 1.4666 1.5639 1.5639 1.5732 1.5732 1.9537 1.9537 2.1598 2.1598 2.1756 2.1756 3.5205 3.5205 3.6298 3.6298 3.8576 3.8576 6.5767 6.5767 6.5927 6.5927 12.7990 12.7990 12.8055 12.8055 13.1888 13.1888 13.7977 13.7977 13.9782 13.9782 13.9797 13.9797 k = 0.3333 0.5774 0.3603 ( 6804 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0497 -46.0497 -46.0048 -46.0048 -23.3255 -23.3255 -23.3255 -23.3255 -18.0898 -18.0898 -17.7656 -17.7656 -17.7646 -17.7646 -17.5498 -17.5498 -17.4733 -17.4733 -17.4499 -17.4499 -7.0253 -7.0253 -7.0167 -7.0167 -6.8066 -6.8066 -6.7427 -6.7427 -6.7168 -6.7168 -6.6759 -6.6759 -2.4001 -2.4001 -2.3935 -2.3935 -1.3172 -1.3172 -1.2751 -1.2751 -1.1594 -1.1594 -0.8715 -0.8715 0.1795 0.1795 0.2470 0.2470 0.3427 0.3427 1.2722 1.2722 1.3148 1.3148 1.3467 1.3467 1.4680 1.4680 1.5831 1.5831 1.5936 1.5936 1.9425 1.9425 2.1631 2.1631 2.1790 2.1790 3.5099 3.5099 3.6266 3.6266 3.8697 3.8697 6.5738 6.5738 6.5907 6.5907 12.8350 12.8350 12.8416 12.8416 13.1959 13.1959 13.7848 13.7848 13.9652 13.9652 13.9668 13.9668 k = 0.3333 0.5774 0.3783 ( 6813 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0497 -46.0497 -46.0048 -46.0048 -23.3253 -23.3253 -23.3253 -23.3253 -18.0821 -18.0821 -17.7686 -17.7686 -17.7676 -17.7676 -17.5571 -17.5571 -17.4714 -17.4714 -17.4470 -17.4470 -7.0265 -7.0265 -7.0170 -7.0170 -6.8076 -6.8076 -6.7428 -6.7428 -6.7171 -6.7171 -6.6763 -6.6763 -2.4004 -2.4004 -2.3949 -2.3949 -1.3210 -1.3210 -1.2730 -1.2730 -1.1490 -1.1490 -0.8598 -0.8598 0.1703 0.1703 0.2368 0.2368 0.3364 0.3364 1.2659 1.2659 1.3206 1.3206 1.3238 1.3238 1.4740 1.4740 1.6036 1.6036 1.6152 1.6152 1.9312 1.9312 2.1655 2.1655 2.1813 2.1813 3.4993 3.4993 3.6224 3.6224 3.8820 3.8820 6.5710 6.5710 6.5886 6.5886 12.8712 12.8712 12.8780 12.8780 13.2021 13.2021 13.7728 13.7728 13.9529 13.9529 13.9547 13.9547 k = 0.3333 0.5774 0.3963 ( 6831 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3252 -23.3252 -23.3252 -23.3252 -18.0745 -18.0745 -17.7714 -17.7714 -17.7705 -17.7705 -17.5645 -17.5645 -17.4695 -17.4695 -17.4442 -17.4442 -7.0277 -7.0277 -7.0174 -7.0174 -6.8085 -6.8085 -6.7429 -6.7429 -6.7174 -6.7174 -6.6767 -6.6767 -2.4007 -2.4007 -2.3963 -2.3963 -1.3244 -1.3244 -1.2726 -1.2726 -1.1375 -1.1375 -0.8472 -0.8472 0.1611 0.1611 0.2268 0.2268 0.3301 0.3301 1.2426 1.2426 1.3104 1.3104 1.3319 1.3319 1.4818 1.4818 1.6251 1.6251 1.6376 1.6376 1.9197 1.9197 2.1668 2.1668 2.1826 2.1826 3.4890 3.4890 3.6175 3.6175 3.8940 3.8940 6.5683 6.5683 6.5867 6.5867 12.9074 12.9074 12.9142 12.9142 13.2077 13.2077 13.7617 13.7617 13.9413 13.9413 13.9432 13.9432 k = 0.3333 0.5774 0.4143 ( 6831 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3250 -23.3250 -23.3250 -23.3250 -18.0670 -18.0670 -17.7741 -17.7741 -17.7732 -17.7732 -17.5720 -17.5720 -17.4676 -17.4676 -17.4416 -17.4416 -7.0288 -7.0288 -7.0177 -7.0177 -6.8093 -6.8093 -6.7431 -6.7431 -6.7177 -6.7177 -6.6771 -6.6771 -2.4011 -2.4011 -2.3978 -2.3978 -1.3275 -1.3275 -1.2733 -1.2733 -1.1256 -1.1256 -0.8339 -0.8339 0.1521 0.1521 0.2170 0.2170 0.3239 0.3239 1.2095 1.2095 1.3104 1.3104 1.3392 1.3392 1.4906 1.4906 1.6473 1.6473 1.6604 1.6604 1.9082 1.9082 2.1670 2.1670 2.1828 2.1828 3.4789 3.4789 3.6122 3.6122 3.9057 3.9057 6.5658 6.5658 6.5849 6.5849 12.9431 12.9431 12.9501 12.9501 13.2126 13.2126 13.7514 13.7514 13.9305 13.9305 13.9326 13.9326 k = 0.3333 0.5774 0.4323 ( 6819 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3249 -23.3249 -23.3249 -23.3249 -18.0597 -18.0597 -17.7766 -17.7766 -17.7757 -17.7757 -17.5793 -17.5793 -17.4657 -17.4657 -17.4392 -17.4392 -7.0299 -7.0299 -7.0181 -7.0181 -6.8101 -6.8101 -6.7432 -6.7432 -6.7180 -6.7180 -6.6774 -6.6774 -2.4014 -2.4014 -2.3992 -2.3992 -1.3301 -1.3301 -1.2744 -1.2744 -1.1140 -1.1140 -0.8201 -0.8201 0.1434 0.1434 0.2075 0.2075 0.3178 0.3178 1.1747 1.1747 1.3131 1.3131 1.3457 1.3457 1.4997 1.4997 1.6700 1.6700 1.6834 1.6834 1.8969 1.8969 2.1663 2.1663 2.1820 2.1820 3.4693 3.4693 3.6067 3.6067 3.9169 3.9169 6.5634 6.5634 6.5832 6.5832 12.9780 12.9780 12.9851 12.9851 13.2168 13.2168 13.7421 13.7421 13.9205 13.9205 13.9227 13.9227 k = 0.3333 0.5774 0.4504 ( 6816 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3248 -23.3248 -23.3248 -23.3248 -18.0527 -18.0527 -17.7788 -17.7788 -17.7781 -17.7781 -17.5865 -17.5865 -17.4640 -17.4640 -17.4370 -17.4370 -7.0308 -7.0308 -7.0184 -7.0184 -6.8109 -6.8109 -6.7432 -6.7432 -6.7182 -6.7182 -6.6777 -6.6777 -2.4019 -2.4019 -2.4006 -2.4006 -1.3324 -1.3324 -1.2759 -1.2759 -1.1030 -1.1030 -0.8061 -0.8061 0.1351 0.1351 0.1986 0.1986 0.3118 0.3118 1.1408 1.1408 1.3164 1.3164 1.3513 1.3513 1.5090 1.5090 1.6926 1.6926 1.7061 1.7061 1.8858 1.8858 2.1645 2.1645 2.1802 2.1802 3.4603 3.4603 3.6011 3.6011 3.9273 3.9273 6.5612 6.5612 6.5816 6.5816 13.0116 13.0116 13.0189 13.0189 13.2204 13.2204 13.7337 13.7337 13.9113 13.9113 13.9137 13.9137 k = 0.3333 0.5774 0.4684 ( 6831 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3246 -23.3246 -23.3246 -23.3246 -18.0460 -18.0460 -17.7809 -17.7809 -17.7802 -17.7802 -17.5933 -17.5933 -17.4623 -17.4623 -17.4350 -17.4350 -7.0318 -7.0318 -7.0187 -7.0187 -6.8116 -6.8116 -6.7433 -6.7433 -6.7185 -6.7185 -6.6780 -6.6780 -2.4023 -2.4023 -2.4019 -2.4019 -1.3343 -1.3343 -1.2774 -1.2774 -1.0930 -1.0930 -0.7921 -0.7921 0.1273 0.1273 0.1903 0.1903 0.3061 0.3061 1.1087 1.1087 1.3197 1.3197 1.3563 1.3563 1.5182 1.5182 1.7147 1.7147 1.7283 1.7283 1.8750 1.8750 2.1618 2.1618 2.1775 2.1775 3.4518 3.4518 3.5957 3.5957 3.9367 3.9367 6.5592 6.5592 6.5801 6.5801 13.0435 13.0435 13.0509 13.0509 13.2234 13.2234 13.7262 13.7262 13.9029 13.9029 13.9054 13.9054 k = 0.3333 0.5774 0.4864 ( 6819 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3245 -23.3245 -23.3245 -23.3245 -18.0398 -18.0398 -17.7827 -17.7827 -17.7820 -17.7820 -17.5997 -17.5997 -17.4608 -17.4608 -17.4332 -17.4332 -7.0326 -7.0326 -7.0189 -7.0189 -6.8122 -6.8122 -6.7434 -6.7434 -6.7187 -6.7187 -6.6782 -6.6782 -2.4032 -2.4032 -2.4028 -2.4028 -1.3359 -1.3359 -1.2789 -1.2789 -1.0841 -1.0841 -0.7783 -0.7783 0.1202 0.1202 0.1827 0.1827 0.3008 0.3008 1.0793 1.0793 1.3229 1.3229 1.3606 1.3606 1.5271 1.5271 1.7361 1.7361 1.7495 1.7495 1.8649 1.8649 2.1584 2.1584 2.1740 2.1740 3.4441 3.4441 3.5907 3.5907 3.9454 3.9454 6.5574 6.5574 6.5789 6.5789 13.0733 13.0733 13.0808 13.0808 13.2259 13.2259 13.7196 13.7196 13.8955 13.8955 13.8981 13.8981 k = 0.3333 0.5774 0.5044 ( 6825 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3244 -23.3244 -23.3244 -23.3244 -18.0342 -18.0342 -17.7843 -17.7843 -17.7837 -17.7837 -17.6056 -17.6056 -17.4595 -17.4595 -17.4316 -17.4316 -7.0333 -7.0333 -7.0192 -7.0192 -6.8127 -6.8127 -6.7435 -6.7435 -6.7189 -6.7189 -6.6784 -6.6784 -2.4043 -2.4043 -2.4032 -2.4032 -1.3373 -1.3373 -1.2802 -1.2802 -1.0764 -1.0764 -0.7654 -0.7654 0.1138 0.1138 0.1759 0.1759 0.2958 0.2958 1.0528 1.0528 1.3257 1.3257 1.3643 1.3643 1.5354 1.5354 1.7561 1.7561 1.7693 1.7693 1.8554 1.8554 2.1544 2.1544 2.1699 2.1699 3.4372 3.4372 3.5860 3.5860 3.9528 3.9528 6.5558 6.5558 6.5778 6.5778 13.1004 13.1004 13.1080 13.1080 13.2279 13.2279 13.7139 13.7139 13.8889 13.8889 13.8916 13.8916 k = 0.3333 0.5774 0.5224 ( 6825 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3244 -23.3244 -23.3244 -23.3244 -18.0292 -18.0292 -17.7857 -17.7857 -17.7851 -17.7851 -17.6107 -17.6107 -17.4584 -17.4584 -17.4303 -17.4303 -7.0339 -7.0339 -7.0194 -7.0194 -6.8132 -6.8132 -6.7435 -6.7435 -6.7191 -6.7191 -6.6785 -6.6785 -2.4053 -2.4053 -2.4036 -2.4036 -1.3383 -1.3383 -1.2814 -1.2814 -1.0699 -1.0699 -0.7536 -0.7536 0.1083 0.1083 0.1700 0.1700 0.2913 0.2913 1.0298 1.0298 1.3281 1.3281 1.3673 1.3673 1.5431 1.5431 1.7744 1.7744 1.7872 1.7872 1.8469 1.8469 2.1501 2.1501 2.1655 2.1655 3.4312 3.4312 3.5819 3.5819 3.9593 3.9593 6.5545 6.5545 6.5768 6.5768 13.1243 13.1243 13.1321 13.1321 13.2295 13.2295 13.7091 13.7091 13.8832 13.8832 13.8860 13.8860 k = 0.3333 0.5774 0.5404 ( 6843 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3243 -23.3243 -23.3243 -23.3243 -18.0249 -18.0249 -17.7868 -17.7868 -17.7863 -17.7863 -17.6151 -17.6151 -17.4574 -17.4574 -17.4292 -17.4292 -7.0344 -7.0344 -7.0196 -7.0196 -6.8136 -6.8136 -6.7436 -6.7436 -6.7193 -6.7193 -6.6787 -6.6787 -2.4062 -2.4062 -2.4039 -2.4039 -1.3392 -1.3392 -1.2824 -1.2824 -1.0647 -1.0647 -0.7432 -0.7432 0.1036 0.1036 0.1650 0.1650 0.2875 0.2875 1.0106 1.0106 1.3300 1.3300 1.3698 1.3698 1.5498 1.5498 1.7903 1.7903 1.8026 1.8026 1.8396 1.8396 2.1458 2.1458 2.1612 2.1612 3.4261 3.4261 3.5784 3.5784 3.9646 3.9646 6.5533 6.5533 6.5759 6.5759 13.1446 13.1446 13.1525 13.1525 13.2307 13.2307 13.7051 13.7051 13.8785 13.8785 13.8814 13.8814 k = 0.3333 0.5774 0.5584 ( 6825 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3242 -23.3242 -23.3242 -23.3242 -18.0215 -18.0215 -17.7877 -17.7877 -17.7872 -17.7872 -17.6186 -17.6186 -17.4567 -17.4567 -17.4283 -17.4283 -7.0348 -7.0348 -7.0197 -7.0197 -6.8139 -6.8139 -6.7436 -6.7436 -6.7194 -6.7194 -6.6788 -6.6788 -2.4068 -2.4068 -2.4041 -2.4041 -1.3398 -1.3398 -1.2832 -1.2832 -1.0606 -1.0606 -0.7347 -0.7347 0.0999 0.0999 0.1611 0.1611 0.2844 0.2844 0.9954 0.9954 1.3316 1.3316 1.3718 1.3718 1.5554 1.5554 1.8036 1.8036 1.8148 1.8148 1.8344 1.8344 2.1418 2.1418 2.1572 2.1572 3.4222 3.4222 3.5756 3.5756 3.9689 3.9689 6.5525 6.5525 6.5754 6.5754 13.1610 13.1610 13.1690 13.1690 13.2317 13.2317 13.7021 13.7021 13.8749 13.8749 13.8778 13.8778 k = 0.3333 0.5774 0.5765 ( 6816 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3242 -23.3242 -23.3242 -23.3242 -18.0190 -18.0190 -17.7883 -17.7883 -17.7878 -17.7878 -17.6212 -17.6212 -17.4561 -17.4561 -17.4277 -17.4277 -7.0351 -7.0351 -7.0198 -7.0198 -6.8141 -6.8141 -6.7436 -6.7436 -6.7195 -6.7195 -6.6788 -6.6788 -2.4073 -2.4073 -2.4043 -2.4043 -1.3402 -1.3402 -1.2837 -1.2837 -1.0576 -1.0576 -0.7284 -0.7284 0.0973 0.0973 0.1583 0.1583 0.2821 0.2821 0.9843 0.9843 1.3327 1.3327 1.3731 1.3731 1.5596 1.5596 1.8135 1.8135 1.8215 1.8215 1.8329 1.8329 2.1386 2.1386 2.1540 2.1540 3.4193 3.4193 3.5736 3.5736 3.9719 3.9719 6.5519 6.5519 6.5750 6.5750 13.1729 13.1729 13.1810 13.1810 13.2323 13.2323 13.6999 13.6999 13.8722 13.8722 13.8752 13.8752 k = 0.3333 0.5774 0.5945 ( 6822 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3242 -23.3242 -23.3242 -23.3242 -18.0175 -18.0175 -17.7887 -17.7887 -17.7882 -17.7882 -17.6228 -17.6228 -17.4558 -17.4558 -17.4273 -17.4273 -7.0353 -7.0353 -7.0199 -7.0199 -6.8142 -6.8142 -6.7436 -6.7436 -6.7195 -6.7195 -6.6789 -6.6789 -2.4076 -2.4076 -2.4045 -2.4045 -1.3405 -1.3405 -1.2840 -1.2840 -1.0559 -1.0559 -0.7246 -0.7246 0.0956 0.0956 0.1566 0.1566 0.2807 0.2807 0.9776 0.9776 1.3334 1.3334 1.3739 1.3739 1.5622 1.5622 1.8196 1.8196 1.8220 1.8220 1.8356 1.8356 2.1365 2.1365 2.1519 2.1519 3.4176 3.4176 3.5724 3.5724 3.9736 3.9736 6.5515 6.5515 6.5747 6.5747 13.1802 13.1802 13.1883 13.1883 13.2327 13.2327 13.6986 13.6986 13.8706 13.8706 13.8736 13.8736 k = 0.3333 0.5774 0.6125 ( 6828 PWs) bands (ev): -81.7074 -81.7074 -50.5041 -50.5041 -46.0498 -46.0498 -46.0048 -46.0048 -23.3242 -23.3242 -23.3242 -23.3242 -18.0170 -18.0170 -17.7888 -17.7888 -17.7884 -17.7884 -17.6233 -17.6233 -17.4557 -17.4557 -17.4272 -17.4272 -7.0354 -7.0354 -7.0199 -7.0199 -6.8142 -6.8142 -6.7436 -6.7436 -6.7196 -6.7196 -6.6789 -6.6789 -2.4077 -2.4077 -2.4045 -2.4045 -1.3406 -1.3406 -1.2841 -1.2841 -1.0554 -1.0554 -0.7233 -0.7233 0.0951 0.0951 0.1560 0.1560 0.2802 0.2802 0.9753 0.9753 1.3336 1.3336 1.3742 1.3742 1.5631 1.5631 1.8216 1.8216 1.8217 1.8217 1.8370 1.8370 2.1358 2.1358 2.1511 2.1511 3.4170 3.4170 3.5719 3.5719 3.9742 3.9742 6.5514 6.5514 6.5746 6.5746 13.1826 13.1826 13.1908 13.1908 13.2328 13.2328 13.6981 13.6981 13.8701 13.8701 13.8731 13.8731 Writing output data file K2PdF6.save init_run : 0.66s CPU 0.89s WALL ( 1 calls) electrons : 385.86s CPU 390.61s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.04s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 385.86s CPU 390.60s 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 : 0.13s CPU 0.24s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.11s WALL ( 287 calls) cegterg : 357.90s CPU 361.36s WALL ( 339 calls) Called by sum_band: Called by *egterg: h_psi : 206.24s CPU 208.57s WALL ( 6041 calls) s_psi : 11.02s CPU 11.02s WALL ( 6041 calls) g_psi : 0.53s CPU 0.54s WALL ( 5415 calls) cdiaghg : 114.78s CPU 116.42s WALL ( 5702 calls) cegterg:over : 19.27s CPU 19.31s WALL ( 5415 calls) cegterg:upda : 15.72s CPU 15.63s WALL ( 5415 calls) cegterg:last : 8.58s CPU 8.63s WALL ( 913 calls) cdiaghg:chol : 6.71s CPU 7.00s WALL ( 5702 calls) cdiaghg:inve : 5.29s CPU 5.19s WALL ( 5702 calls) cdiaghg:para : 9.50s CPU 9.43s WALL ( 11404 calls) Called by h_psi: h_psi:vloc : 181.66s CPU 183.98s WALL ( 6041 calls) h_psi:vnl : 23.94s CPU 23.97s WALL ( 6041 calls) add_vuspsi : 12.32s CPU 12.24s WALL ( 6041 calls) General routines calbec : 11.58s CPU 11.71s WALL ( 6041 calls) fft : 0.01s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 169.21s CPU 171.58s WALL ( 1131212 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.29s CPU 0.52s WALL ( 574 calls) Parallel routines fft_scatter : 54.74s CPU 55.62s WALL ( 1131235 calls) PWSCF : 6m58.88s CPU 7m21.31s WALL This run was terminated on: 18: 8:35 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=