Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:28:18 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: ./CsK2Sb.save/ file K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 81 81 22 2899 2899 417 Max 82 82 23 2903 2903 421 Sum 2917 2917 805 104459 104459 15065 bravais-lattice index = 14 lattice parameter (alat) = 11.5117 a.u. unit-cell volume = 1078.7042 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 320.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.511691 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.500000 celldm(5)= 0.500000 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) = ( 0.500000 0.288675 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.577350 -0.408248 ) b(2) = ( 0.000000 1.154701 -0.408248 ) b(3) = ( 0.000000 0.000000 1.224745 ) PseudoPot. # 1 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. # 2 for Sb read from file: /users/gautes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Cs read from file: /users/gautes/Pseudo/Cs.rel-pbe-oncvpsp.UPF MD5 check sum: b26d75608c6aa7e713949ad9f7a49707 Pseudo is Norm-conserving, Zval = 9.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 2414 points, 14 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 l(11) = 3 l(12) = 3 l(13) = 3 l(14) = 3 atomic species valence mass pseudopotential K 9.00 39.09830 K( 1.00) Sb 5.00 121.76000 Sb( 1.00) Cs 9.00 132.90550 Cs( 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 ) ( 1 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) = ( -1 1 0 ) ( -1 0 0 ) ( -1 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) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 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) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( -1 1 0 ) ( 0 1 0 ) ( 0 1 -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 ) ( -1 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) = ( 1 -1 0 ) ( 1 0 0 ) ( 1 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) = ( 0 1 0 ) ( -1 1 0 ) ( 0 1 -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) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 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= 248 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040323 k( 2) = ( 0.0135135 -0.0078020 0.0110337), wk = 0.0040323 k( 3) = ( 0.0270270 -0.0156041 0.0220675), wk = 0.0040323 k( 4) = ( 0.0405405 -0.0234061 0.0331012), wk = 0.0040323 k( 5) = ( 0.0540540 -0.0312081 0.0441349), wk = 0.0040323 k( 6) = ( 0.0675676 -0.0390102 0.0551687), wk = 0.0040323 k( 7) = ( 0.0810811 -0.0468122 0.0662024), wk = 0.0040323 k( 8) = ( 0.0945946 -0.0546142 0.0772362), wk = 0.0040323 k( 9) = ( 0.1081081 -0.0624162 0.0882699), wk = 0.0040323 k( 10) = ( 0.1216216 -0.0702183 0.0993036), wk = 0.0040323 k( 11) = ( 0.1351351 -0.0780203 0.1103374), wk = 0.0040323 k( 12) = ( 0.1486486 -0.0858223 0.1213711), wk = 0.0040323 k( 13) = ( 0.1621622 -0.0936244 0.1324048), wk = 0.0040323 k( 14) = ( 0.1756757 -0.1014264 0.1434386), wk = 0.0040323 k( 15) = ( 0.1891892 -0.1092284 0.1544723), wk = 0.0040323 k( 16) = ( 0.2027027 -0.1170305 0.1655061), wk = 0.0040323 k( 17) = ( 0.2162162 -0.1248325 0.1765398), wk = 0.0040323 k( 18) = ( 0.2297297 -0.1326345 0.1875735), wk = 0.0040323 k( 19) = ( 0.2432432 -0.1404366 0.1986073), wk = 0.0040323 k( 20) = ( 0.2567568 -0.1482386 0.2096410), wk = 0.0040323 k( 21) = ( 0.2702703 -0.1560406 0.2206748), wk = 0.0040323 k( 22) = ( 0.2837838 -0.1638426 0.2317085), wk = 0.0040323 k( 23) = ( 0.2972973 -0.1716447 0.2427422), wk = 0.0040323 k( 24) = ( 0.3108108 -0.1794467 0.2537760), wk = 0.0040323 k( 25) = ( 0.3243243 -0.1872487 0.2648097), wk = 0.0040323 k( 26) = ( 0.3378378 -0.1950508 0.2758434), wk = 0.0040323 k( 27) = ( 0.3513514 -0.2028528 0.2868772), wk = 0.0040323 k( 28) = ( 0.3648649 -0.2106548 0.2979109), wk = 0.0040323 k( 29) = ( 0.3783784 -0.2184569 0.3089447), wk = 0.0040323 k( 30) = ( 0.3918919 -0.2262589 0.3199784), wk = 0.0040323 k( 31) = ( 0.4054054 -0.2340609 0.3310121), wk = 0.0040323 k( 32) = ( 0.4189189 -0.2418630 0.3420459), wk = 0.0040323 k( 33) = ( 0.4324324 -0.2496650 0.3530796), wk = 0.0040323 k( 34) = ( 0.4459459 -0.2574670 0.3641133), wk = 0.0040323 k( 35) = ( 0.4594595 -0.2652690 0.3751471), wk = 0.0040323 k( 36) = ( 0.4729730 -0.2730711 0.3861808), wk = 0.0040323 k( 37) = ( 0.4864865 -0.2808731 0.3972146), wk = 0.0040323 k( 38) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0040323 k( 39) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0040323 k( 40) = ( 0.5000000 -0.2734817 0.4189917), wk = 0.0040323 k( 41) = ( 0.5000000 -0.2582883 0.4297350), wk = 0.0040323 k( 42) = ( 0.5000000 -0.2430949 0.4404784), wk = 0.0040323 k( 43) = ( 0.5000000 -0.2279014 0.4512218), wk = 0.0040323 k( 44) = ( 0.5000000 -0.2127080 0.4619652), wk = 0.0040323 k( 45) = ( 0.5000000 -0.1975146 0.4727085), wk = 0.0040323 k( 46) = ( 0.5000000 -0.1823211 0.4834519), wk = 0.0040323 k( 47) = ( 0.5000000 -0.1671277 0.4941953), wk = 0.0040323 k( 48) = ( 0.5000000 -0.1519343 0.5049387), wk = 0.0040323 k( 49) = ( 0.5000000 -0.1367409 0.5156821), wk = 0.0040323 k( 50) = ( 0.5000000 -0.1215474 0.5264254), wk = 0.0040323 k( 51) = ( 0.5000000 -0.1063540 0.5371688), wk = 0.0040323 k( 52) = ( 0.5000000 -0.0911606 0.5479122), wk = 0.0040323 k( 53) = ( 0.5000000 -0.0759671 0.5586556), wk = 0.0040323 k( 54) = ( 0.5000000 -0.0607737 0.5693989), wk = 0.0040323 k( 55) = ( 0.5000000 -0.0455803 0.5801423), wk = 0.0040323 k( 56) = ( 0.5000000 -0.0303869 0.5908857), wk = 0.0040323 k( 57) = ( 0.5000000 -0.0151934 0.6016291), wk = 0.0040323 k( 58) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0040323 k( 59) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0040323 k( 60) = ( 0.4903846 0.0166543 0.6123724), wk = 0.0040323 k( 61) = ( 0.4807692 0.0333087 0.6123724), wk = 0.0040323 k( 62) = ( 0.4711538 0.0499630 0.6123724), wk = 0.0040323 k( 63) = ( 0.4615385 0.0666173 0.6123724), wk = 0.0040323 k( 64) = ( 0.4519231 0.0832717 0.6123724), wk = 0.0040323 k( 65) = ( 0.4423077 0.0999260 0.6123724), wk = 0.0040323 k( 66) = ( 0.4326923 0.1165803 0.6123724), wk = 0.0040323 k( 67) = ( 0.4230769 0.1332347 0.6123724), wk = 0.0040323 k( 68) = ( 0.4134615 0.1498890 0.6123724), wk = 0.0040323 k( 69) = ( 0.4038462 0.1665434 0.6123724), wk = 0.0040323 k( 70) = ( 0.3942308 0.1831977 0.6123724), wk = 0.0040323 k( 71) = ( 0.3846154 0.1998520 0.6123724), wk = 0.0040323 k( 72) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0040323 k( 73) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0040323 k( 74) = ( 0.3653846 0.2109549 0.5966706), wk = 0.0040323 k( 75) = ( 0.3557692 0.2054035 0.5809687), wk = 0.0040323 k( 76) = ( 0.3461538 0.1998520 0.5652669), wk = 0.0040323 k( 77) = ( 0.3365385 0.1943006 0.5495650), wk = 0.0040323 k( 78) = ( 0.3269231 0.1887491 0.5338631), wk = 0.0040323 k( 79) = ( 0.3173077 0.1831977 0.5181613), wk = 0.0040323 k( 80) = ( 0.3076923 0.1776462 0.5024594), wk = 0.0040323 k( 81) = ( 0.2980769 0.1720948 0.4867576), wk = 0.0040323 k( 82) = ( 0.2884615 0.1665433 0.4710557), wk = 0.0040323 k( 83) = ( 0.2788462 0.1609919 0.4553539), wk = 0.0040323 k( 84) = ( 0.2692308 0.1554405 0.4396520), wk = 0.0040323 k( 85) = ( 0.2596154 0.1498890 0.4239502), wk = 0.0040323 k( 86) = ( 0.2500000 0.1443376 0.4082483), wk = 0.0040323 k( 87) = ( 0.2403846 0.1387861 0.3925464), wk = 0.0040323 k( 88) = ( 0.2307692 0.1332347 0.3768446), wk = 0.0040323 k( 89) = ( 0.2211539 0.1276832 0.3611427), wk = 0.0040323 k( 90) = ( 0.2115385 0.1221318 0.3454409), wk = 0.0040323 k( 91) = ( 0.2019231 0.1165803 0.3297390), wk = 0.0040323 k( 92) = ( 0.1923077 0.1110289 0.3140371), wk = 0.0040323 k( 93) = ( 0.1826923 0.1054775 0.2983353), wk = 0.0040323 k( 94) = ( 0.1730769 0.0999260 0.2826334), wk = 0.0040323 k( 95) = ( 0.1634615 0.0943746 0.2669316), wk = 0.0040323 k( 96) = ( 0.1538461 0.0888231 0.2512297), wk = 0.0040323 k( 97) = ( 0.1442308 0.0832717 0.2355279), wk = 0.0040323 k( 98) = ( 0.1346154 0.0777202 0.2198260), wk = 0.0040323 k( 99) = ( 0.1250000 0.0721688 0.2041241), wk = 0.0040323 k( 100) = ( 0.1153846 0.0666173 0.1884223), wk = 0.0040323 k( 101) = ( 0.1057692 0.0610659 0.1727204), wk = 0.0040323 k( 102) = ( 0.0961538 0.0555145 0.1570186), wk = 0.0040323 k( 103) = ( 0.0865385 0.0499630 0.1413167), wk = 0.0040323 k( 104) = ( 0.0769231 0.0444116 0.1256149), wk = 0.0040323 k( 105) = ( 0.0673077 0.0388601 0.1099130), wk = 0.0040323 k( 106) = ( 0.0576923 0.0333087 0.0942111), wk = 0.0040323 k( 107) = ( 0.0480769 0.0277572 0.0785093), wk = 0.0040323 k( 108) = ( 0.0384615 0.0222058 0.0628074), wk = 0.0040323 k( 109) = ( 0.0288462 0.0166543 0.0471056), wk = 0.0040323 k( 110) = ( 0.0192308 0.0111029 0.0314037), wk = 0.0040323 k( 111) = ( 0.0096154 0.0055514 0.0157019), wk = 0.0040323 k( 112) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040323 k( 113) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040323 k( 114) = ( 0.0156250 0.0090211 0.0063789), wk = 0.0040323 k( 115) = ( 0.0312500 0.0180422 0.0127578), wk = 0.0040323 k( 116) = ( 0.0468750 0.0270633 0.0191366), wk = 0.0040323 k( 117) = ( 0.0625000 0.0360844 0.0255155), wk = 0.0040323 k( 118) = ( 0.0781250 0.0451055 0.0318944), wk = 0.0040323 k( 119) = ( 0.0937500 0.0541266 0.0382733), wk = 0.0040323 k( 120) = ( 0.1093750 0.0631477 0.0446522), wk = 0.0040323 k( 121) = ( 0.1250000 0.0721688 0.0510310), wk = 0.0040323 k( 122) = ( 0.1406250 0.0811899 0.0574099), wk = 0.0040323 k( 123) = ( 0.1562500 0.0902110 0.0637888), wk = 0.0040323 k( 124) = ( 0.1718750 0.0992321 0.0701677), wk = 0.0040323 k( 125) = ( 0.1875000 0.1082532 0.0765466), wk = 0.0040323 k( 126) = ( 0.2031250 0.1172743 0.0829254), wk = 0.0040323 k( 127) = ( 0.2187500 0.1262954 0.0893043), wk = 0.0040323 k( 128) = ( 0.2343750 0.1353165 0.0956832), wk = 0.0040323 k( 129) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0040323 k( 130) = ( 0.2656250 0.1533587 0.1084410), wk = 0.0040323 k( 131) = ( 0.2812500 0.1623798 0.1148198), wk = 0.0040323 k( 132) = ( 0.2968750 0.1714009 0.1211987), wk = 0.0040323 k( 133) = ( 0.3125000 0.1804220 0.1275776), wk = 0.0040323 k( 134) = ( 0.3281250 0.1894431 0.1339565), wk = 0.0040323 k( 135) = ( 0.3437500 0.1984642 0.1403353), wk = 0.0040323 k( 136) = ( 0.3593750 0.2074853 0.1467142), wk = 0.0040323 k( 137) = ( 0.3750000 0.2165064 0.1530931), wk = 0.0040323 k( 138) = ( 0.3906250 0.2255274 0.1594720), wk = 0.0040323 k( 139) = ( 0.4062500 0.2345485 0.1658509), wk = 0.0040323 k( 140) = ( 0.4218750 0.2435696 0.1722297), wk = 0.0040323 k( 141) = ( 0.4375000 0.2525907 0.1786086), wk = 0.0040323 k( 142) = ( 0.4531250 0.2616118 0.1849875), wk = 0.0040323 k( 143) = ( 0.4687500 0.2706329 0.1913664), wk = 0.0040323 k( 144) = ( 0.4843750 0.2796540 0.1977453), wk = 0.0040323 k( 145) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0040323 k( 146) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0040323 k( 147) = ( 0.5054348 0.2729863 0.2129991), wk = 0.0040323 k( 148) = ( 0.5108696 0.2572974 0.2218741), wk = 0.0040323 k( 149) = ( 0.5163043 0.2416085 0.2307490), wk = 0.0040323 k( 150) = ( 0.5217391 0.2259197 0.2396240), wk = 0.0040323 k( 151) = ( 0.5271739 0.2102308 0.2484990), wk = 0.0040323 k( 152) = ( 0.5326087 0.1945419 0.2573739), wk = 0.0040323 k( 153) = ( 0.5380435 0.1788531 0.2662489), wk = 0.0040323 k( 154) = ( 0.5434783 0.1631642 0.2751238), wk = 0.0040323 k( 155) = ( 0.5489130 0.1474753 0.2839988), wk = 0.0040323 k( 156) = ( 0.5543478 0.1317865 0.2928738), wk = 0.0040323 k( 157) = ( 0.5597826 0.1160976 0.3017487), wk = 0.0040323 k( 158) = ( 0.5652174 0.1004087 0.3106237), wk = 0.0040323 k( 159) = ( 0.5706522 0.0847199 0.3194987), wk = 0.0040323 k( 160) = ( 0.5760870 0.0690310 0.3283736), wk = 0.0040323 k( 161) = ( 0.5815217 0.0533421 0.3372486), wk = 0.0040323 k( 162) = ( 0.5869565 0.0376533 0.3461235), wk = 0.0040323 k( 163) = ( 0.5923913 0.0219644 0.3549985), wk = 0.0040323 k( 164) = ( 0.5978261 0.0062755 0.3638735), wk = 0.0040323 k( 165) = ( 0.6032609 -0.0094133 0.3727484), wk = 0.0040323 k( 166) = ( 0.6086957 -0.0251022 0.3816234), wk = 0.0040323 k( 167) = ( 0.6141304 -0.0407910 0.3904984), wk = 0.0040323 k( 168) = ( 0.6195652 -0.0564799 0.3993733), wk = 0.0040323 k( 169) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0040323 k( 170) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0040323 k( 171) = ( 0.6153846 -0.0666173 0.4239501), wk = 0.0040323 k( 172) = ( 0.6057692 -0.0610659 0.4396520), wk = 0.0040323 k( 173) = ( 0.5961538 -0.0555145 0.4553539), wk = 0.0040323 k( 174) = ( 0.5865385 -0.0499630 0.4710557), wk = 0.0040323 k( 175) = ( 0.5769231 -0.0444116 0.4867576), wk = 0.0040323 k( 176) = ( 0.5673077 -0.0388601 0.5024594), wk = 0.0040323 k( 177) = ( 0.5576923 -0.0333087 0.5181613), wk = 0.0040323 k( 178) = ( 0.5480769 -0.0277572 0.5338632), wk = 0.0040323 k( 179) = ( 0.5384615 -0.0222058 0.5495650), wk = 0.0040323 k( 180) = ( 0.5288462 -0.0166543 0.5652669), wk = 0.0040323 k( 181) = ( 0.5192308 -0.0111029 0.5809687), wk = 0.0040323 k( 182) = ( 0.5096154 -0.0055514 0.5966706), wk = 0.0040323 k( 183) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0040323 k( 184) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0040323 k( 185) = ( 0.5000000 0.0111029 0.5966706), wk = 0.0040323 k( 186) = ( 0.5000000 0.0222058 0.5809687), wk = 0.0040323 k( 187) = ( 0.5000000 0.0333087 0.5652669), wk = 0.0040323 k( 188) = ( 0.5000000 0.0444116 0.5495650), wk = 0.0040323 k( 189) = ( 0.5000000 0.0555144 0.5338632), wk = 0.0040323 k( 190) = ( 0.5000000 0.0666173 0.5181613), wk = 0.0040323 k( 191) = ( 0.5000000 0.0777202 0.5024594), wk = 0.0040323 k( 192) = ( 0.5000000 0.0888231 0.4867576), wk = 0.0040323 k( 193) = ( 0.5000000 0.0999260 0.4710557), wk = 0.0040323 k( 194) = ( 0.5000000 0.1110289 0.4553539), wk = 0.0040323 k( 195) = ( 0.5000000 0.1221318 0.4396520), wk = 0.0040323 k( 196) = ( 0.5000000 0.1332347 0.4239501), wk = 0.0040323 k( 197) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0040323 k( 198) = ( 0.5000000 0.1554405 0.3925464), wk = 0.0040323 k( 199) = ( 0.5000000 0.1665433 0.3768446), wk = 0.0040323 k( 200) = ( 0.5000000 0.1776462 0.3611427), wk = 0.0040323 k( 201) = ( 0.5000000 0.1887491 0.3454409), wk = 0.0040323 k( 202) = ( 0.5000000 0.1998520 0.3297390), wk = 0.0040323 k( 203) = ( 0.5000000 0.2109549 0.3140371), wk = 0.0040323 k( 204) = ( 0.5000000 0.2220578 0.2983353), wk = 0.0040323 k( 205) = ( 0.5000000 0.2331607 0.2826334), wk = 0.0040323 k( 206) = ( 0.5000000 0.2442636 0.2669316), wk = 0.0040323 k( 207) = ( 0.5000000 0.2553665 0.2512297), wk = 0.0040323 k( 208) = ( 0.5000000 0.2664694 0.2355279), wk = 0.0040323 k( 209) = ( 0.5000000 0.2775723 0.2198260), wk = 0.0040323 k( 210) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0040323 k( 211) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0040323 k( 212) = ( 0.4945652 0.2855374 0.2218741), wk = 0.0040323 k( 213) = ( 0.4891304 0.2823996 0.2396240), wk = 0.0040323 k( 214) = ( 0.4836956 0.2792618 0.2573739), wk = 0.0040323 k( 215) = ( 0.4782609 0.2761240 0.2751238), wk = 0.0040323 k( 216) = ( 0.4728261 0.2729863 0.2928738), wk = 0.0040323 k( 217) = ( 0.4673913 0.2698485 0.3106237), wk = 0.0040323 k( 218) = ( 0.4619565 0.2667107 0.3283736), wk = 0.0040323 k( 219) = ( 0.4565217 0.2635729 0.3461235), wk = 0.0040323 k( 220) = ( 0.4510870 0.2604352 0.3638735), wk = 0.0040323 k( 221) = ( 0.4456522 0.2572974 0.3816234), wk = 0.0040323 k( 222) = ( 0.4402174 0.2541596 0.3993733), wk = 0.0040323 k( 223) = ( 0.4347826 0.2510219 0.4171232), wk = 0.0040323 k( 224) = ( 0.4293478 0.2478841 0.4348732), wk = 0.0040323 k( 225) = ( 0.4239130 0.2447463 0.4526231), wk = 0.0040323 k( 226) = ( 0.4184783 0.2416085 0.4703730), wk = 0.0040323 k( 227) = ( 0.4130435 0.2384708 0.4881230), wk = 0.0040323 k( 228) = ( 0.4076087 0.2353330 0.5058729), wk = 0.0040323 k( 229) = ( 0.4021739 0.2321952 0.5236228), wk = 0.0040323 k( 230) = ( 0.3967391 0.2290574 0.5413727), wk = 0.0040323 k( 231) = ( 0.3913044 0.2259197 0.5591227), wk = 0.0040323 k( 232) = ( 0.3858696 0.2227819 0.5768726), wk = 0.0040323 k( 233) = ( 0.3804348 0.2196441 0.5946225), wk = 0.0040323 k( 234) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0040323 k( 235) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0040323 k( 236) = ( 0.6153846 -0.0888231 0.4082483), wk = 0.0040323 k( 237) = ( 0.6057692 -0.1054775 0.4082483), wk = 0.0040323 k( 238) = ( 0.5961538 -0.1221318 0.4082483), wk = 0.0040323 k( 239) = ( 0.5865385 -0.1387861 0.4082483), wk = 0.0040323 k( 240) = ( 0.5769231 -0.1554405 0.4082483), wk = 0.0040323 k( 241) = ( 0.5673077 -0.1720948 0.4082483), wk = 0.0040323 k( 242) = ( 0.5576923 -0.1887491 0.4082483), wk = 0.0040323 k( 243) = ( 0.5480769 -0.2054035 0.4082483), wk = 0.0040323 k( 244) = ( 0.5384615 -0.2220578 0.4082483), wk = 0.0040323 k( 245) = ( 0.5288462 -0.2387121 0.4082483), wk = 0.0040323 k( 246) = ( 0.5192308 -0.2553665 0.4082483), wk = 0.0040323 k( 247) = ( 0.5096154 -0.2720208 0.4082483), wk = 0.0040323 k( 248) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0040323 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040323 k( 2) = ( 0.0135135 0.0000000 0.0135135), wk = 0.0040323 k( 3) = ( 0.0270270 0.0000000 0.0270270), wk = 0.0040323 k( 4) = ( 0.0405405 0.0000000 0.0405405), wk = 0.0040323 k( 5) = ( 0.0540540 0.0000000 0.0540540), wk = 0.0040323 k( 6) = ( 0.0675676 0.0000000 0.0675676), wk = 0.0040323 k( 7) = ( 0.0810811 0.0000000 0.0810811), wk = 0.0040323 k( 8) = ( 0.0945946 0.0000000 0.0945946), wk = 0.0040323 k( 9) = ( 0.1081081 0.0000000 0.1081081), wk = 0.0040323 k( 10) = ( 0.1216216 0.0000000 0.1216216), wk = 0.0040323 k( 11) = ( 0.1351351 0.0000000 0.1351351), wk = 0.0040323 k( 12) = ( 0.1486486 0.0000000 0.1486486), wk = 0.0040323 k( 13) = ( 0.1621622 0.0000000 0.1621622), wk = 0.0040323 k( 14) = ( 0.1756757 0.0000000 0.1756757), wk = 0.0040323 k( 15) = ( 0.1891892 0.0000000 0.1891892), wk = 0.0040323 k( 16) = ( 0.2027027 0.0000000 0.2027027), wk = 0.0040323 k( 17) = ( 0.2162162 0.0000000 0.2162162), wk = 0.0040323 k( 18) = ( 0.2297297 0.0000000 0.2297297), wk = 0.0040323 k( 19) = ( 0.2432432 0.0000000 0.2432432), wk = 0.0040323 k( 20) = ( 0.2567568 0.0000000 0.2567568), wk = 0.0040323 k( 21) = ( 0.2702703 0.0000000 0.2702703), wk = 0.0040323 k( 22) = ( 0.2837838 0.0000000 0.2837838), wk = 0.0040323 k( 23) = ( 0.2972973 0.0000000 0.2972973), wk = 0.0040323 k( 24) = ( 0.3108108 0.0000000 0.3108108), wk = 0.0040323 k( 25) = ( 0.3243243 0.0000000 0.3243243), wk = 0.0040323 k( 26) = ( 0.3378378 0.0000000 0.3378378), wk = 0.0040323 k( 27) = ( 0.3513514 0.0000000 0.3513514), wk = 0.0040323 k( 28) = ( 0.3648649 0.0000000 0.3648649), wk = 0.0040323 k( 29) = ( 0.3783784 0.0000000 0.3783784), wk = 0.0040323 k( 30) = ( 0.3918919 0.0000000 0.3918919), wk = 0.0040323 k( 31) = ( 0.4054054 0.0000000 0.4054054), wk = 0.0040323 k( 32) = ( 0.4189189 0.0000000 0.4189189), wk = 0.0040323 k( 33) = ( 0.4324324 0.0000000 0.4324324), wk = 0.0040323 k( 34) = ( 0.4459459 0.0000000 0.4459459), wk = 0.0040323 k( 35) = ( 0.4594595 0.0000000 0.4594595), wk = 0.0040323 k( 36) = ( 0.4729730 0.0000000 0.4729730), wk = 0.0040323 k( 37) = ( 0.4864865 0.0000000 0.4864865), wk = 0.0040323 k( 38) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0040323 k( 39) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0040323 k( 40) = ( 0.5000000 0.0131579 0.5131579), wk = 0.0040323 k( 41) = ( 0.5000000 0.0263158 0.5263158), wk = 0.0040323 k( 42) = ( 0.5000000 0.0394737 0.5394737), wk = 0.0040323 k( 43) = ( 0.5000000 0.0526316 0.5526316), wk = 0.0040323 k( 44) = ( 0.5000000 0.0657895 0.5657895), wk = 0.0040323 k( 45) = ( 0.5000000 0.0789474 0.5789474), wk = 0.0040323 k( 46) = ( 0.5000000 0.0921053 0.5921053), wk = 0.0040323 k( 47) = ( 0.5000000 0.1052632 0.6052632), wk = 0.0040323 k( 48) = ( 0.5000000 0.1184210 0.6184211), wk = 0.0040323 k( 49) = ( 0.5000000 0.1315790 0.6315789), wk = 0.0040323 k( 50) = ( 0.5000000 0.1447368 0.6447368), wk = 0.0040323 k( 51) = ( 0.5000000 0.1578947 0.6578947), wk = 0.0040323 k( 52) = ( 0.5000000 0.1710526 0.6710526), wk = 0.0040323 k( 53) = ( 0.5000000 0.1842105 0.6842105), wk = 0.0040323 k( 54) = ( 0.5000000 0.1973684 0.6973684), wk = 0.0040323 k( 55) = ( 0.5000000 0.2105263 0.7105263), wk = 0.0040323 k( 56) = ( 0.5000000 0.2236842 0.7236842), wk = 0.0040323 k( 57) = ( 0.5000000 0.2368421 0.7368421), wk = 0.0040323 k( 58) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0040323 k( 59) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0040323 k( 60) = ( 0.4903846 0.2596154 0.7500000), wk = 0.0040323 k( 61) = ( 0.4807692 0.2692308 0.7500000), wk = 0.0040323 k( 62) = ( 0.4711538 0.2788462 0.7500000), wk = 0.0040323 k( 63) = ( 0.4615385 0.2884615 0.7500000), wk = 0.0040323 k( 64) = ( 0.4519231 0.2980769 0.7500000), wk = 0.0040323 k( 65) = ( 0.4423077 0.3076923 0.7500000), wk = 0.0040323 k( 66) = ( 0.4326923 0.3173077 0.7500000), wk = 0.0040323 k( 67) = ( 0.4230769 0.3269231 0.7500000), wk = 0.0040323 k( 68) = ( 0.4134615 0.3365385 0.7500000), wk = 0.0040323 k( 69) = ( 0.4038462 0.3461538 0.7500000), wk = 0.0040323 k( 70) = ( 0.3942308 0.3557692 0.7500000), wk = 0.0040323 k( 71) = ( 0.3846154 0.3653846 0.7500000), wk = 0.0040323 k( 72) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0040323 k( 73) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0040323 k( 74) = ( 0.3653846 0.3653846 0.7307692), wk = 0.0040323 k( 75) = ( 0.3557692 0.3557692 0.7115385), wk = 0.0040323 k( 76) = ( 0.3461538 0.3461539 0.6923077), wk = 0.0040323 k( 77) = ( 0.3365385 0.3365385 0.6730769), wk = 0.0040323 k( 78) = ( 0.3269231 0.3269231 0.6538462), wk = 0.0040323 k( 79) = ( 0.3173077 0.3173077 0.6346154), wk = 0.0040323 k( 80) = ( 0.3076923 0.3076923 0.6153846), wk = 0.0040323 k( 81) = ( 0.2980769 0.2980769 0.5961538), wk = 0.0040323 k( 82) = ( 0.2884615 0.2884615 0.5769231), wk = 0.0040323 k( 83) = ( 0.2788462 0.2788462 0.5576923), wk = 0.0040323 k( 84) = ( 0.2692308 0.2692308 0.5384615), wk = 0.0040323 k( 85) = ( 0.2596154 0.2596154 0.5192308), wk = 0.0040323 k( 86) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0040323 k( 87) = ( 0.2403846 0.2403846 0.4807692), wk = 0.0040323 k( 88) = ( 0.2307692 0.2307692 0.4615385), wk = 0.0040323 k( 89) = ( 0.2211539 0.2211538 0.4423077), wk = 0.0040323 k( 90) = ( 0.2115385 0.2115385 0.4230769), wk = 0.0040323 k( 91) = ( 0.2019231 0.2019231 0.4038461), wk = 0.0040323 k( 92) = ( 0.1923077 0.1923077 0.3846154), wk = 0.0040323 k( 93) = ( 0.1826923 0.1826923 0.3653846), wk = 0.0040323 k( 94) = ( 0.1730769 0.1730769 0.3461538), wk = 0.0040323 k( 95) = ( 0.1634615 0.1634615 0.3269231), wk = 0.0040323 k( 96) = ( 0.1538461 0.1538461 0.3076923), wk = 0.0040323 k( 97) = ( 0.1442308 0.1442308 0.2884615), wk = 0.0040323 k( 98) = ( 0.1346154 0.1346154 0.2692308), wk = 0.0040323 k( 99) = ( 0.1250000 0.1250000 0.2500000), wk = 0.0040323 k( 100) = ( 0.1153846 0.1153846 0.2307692), wk = 0.0040323 k( 101) = ( 0.1057692 0.1057692 0.2115385), wk = 0.0040323 k( 102) = ( 0.0961538 0.0961538 0.1923077), wk = 0.0040323 k( 103) = ( 0.0865385 0.0865385 0.1730769), wk = 0.0040323 k( 104) = ( 0.0769231 0.0769231 0.1538461), wk = 0.0040323 k( 105) = ( 0.0673077 0.0673077 0.1346154), wk = 0.0040323 k( 106) = ( 0.0576923 0.0576923 0.1153846), wk = 0.0040323 k( 107) = ( 0.0480769 0.0480769 0.0961538), wk = 0.0040323 k( 108) = ( 0.0384615 0.0384615 0.0769231), wk = 0.0040323 k( 109) = ( 0.0288462 0.0288462 0.0576923), wk = 0.0040323 k( 110) = ( 0.0192308 0.0192308 0.0384615), wk = 0.0040323 k( 111) = ( 0.0096154 0.0096154 0.0192308), wk = 0.0040323 k( 112) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040323 k( 113) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040323 k( 114) = ( 0.0156250 0.0156250 0.0156250), wk = 0.0040323 k( 115) = ( 0.0312500 0.0312500 0.0312500), wk = 0.0040323 k( 116) = ( 0.0468750 0.0468750 0.0468750), wk = 0.0040323 k( 117) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0040323 k( 118) = ( 0.0781250 0.0781250 0.0781250), wk = 0.0040323 k( 119) = ( 0.0937500 0.0937500 0.0937500), wk = 0.0040323 k( 120) = ( 0.1093750 0.1093750 0.1093750), wk = 0.0040323 k( 121) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0040323 k( 122) = ( 0.1406250 0.1406250 0.1406250), wk = 0.0040323 k( 123) = ( 0.1562500 0.1562500 0.1562500), wk = 0.0040323 k( 124) = ( 0.1718750 0.1718750 0.1718750), wk = 0.0040323 k( 125) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0040323 k( 126) = ( 0.2031250 0.2031250 0.2031250), wk = 0.0040323 k( 127) = ( 0.2187500 0.2187500 0.2187500), wk = 0.0040323 k( 128) = ( 0.2343750 0.2343750 0.2343750), wk = 0.0040323 k( 129) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0040323 k( 130) = ( 0.2656250 0.2656250 0.2656250), wk = 0.0040323 k( 131) = ( 0.2812500 0.2812500 0.2812500), wk = 0.0040323 k( 132) = ( 0.2968750 0.2968750 0.2968750), wk = 0.0040323 k( 133) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0040323 k( 134) = ( 0.3281250 0.3281250 0.3281250), wk = 0.0040323 k( 135) = ( 0.3437500 0.3437500 0.3437500), wk = 0.0040323 k( 136) = ( 0.3593750 0.3593750 0.3593750), wk = 0.0040323 k( 137) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0040323 k( 138) = ( 0.3906250 0.3906250 0.3906250), wk = 0.0040323 k( 139) = ( 0.4062500 0.4062500 0.4062500), wk = 0.0040323 k( 140) = ( 0.4218750 0.4218750 0.4218750), wk = 0.0040323 k( 141) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0040323 k( 142) = ( 0.4531250 0.4531250 0.4531250), wk = 0.0040323 k( 143) = ( 0.4687500 0.4687500 0.4687500), wk = 0.0040323 k( 144) = ( 0.4843750 0.4843750 0.4843750), wk = 0.0040323 k( 145) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0040323 k( 146) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0040323 k( 147) = ( 0.5054348 0.4891304 0.5054348), wk = 0.0040323 k( 148) = ( 0.5108696 0.4782609 0.5108696), wk = 0.0040323 k( 149) = ( 0.5163043 0.4673913 0.5163043), wk = 0.0040323 k( 150) = ( 0.5217391 0.4565217 0.5217391), wk = 0.0040323 k( 151) = ( 0.5271739 0.4456522 0.5271739), wk = 0.0040323 k( 152) = ( 0.5326087 0.4347826 0.5326087), wk = 0.0040323 k( 153) = ( 0.5380435 0.4239130 0.5380435), wk = 0.0040323 k( 154) = ( 0.5434783 0.4130435 0.5434783), wk = 0.0040323 k( 155) = ( 0.5489130 0.4021739 0.5489130), wk = 0.0040323 k( 156) = ( 0.5543478 0.3913044 0.5543478), wk = 0.0040323 k( 157) = ( 0.5597826 0.3804348 0.5597826), wk = 0.0040323 k( 158) = ( 0.5652174 0.3695652 0.5652174), wk = 0.0040323 k( 159) = ( 0.5706522 0.3586957 0.5706522), wk = 0.0040323 k( 160) = ( 0.5760870 0.3478261 0.5760870), wk = 0.0040323 k( 161) = ( 0.5815217 0.3369565 0.5815217), wk = 0.0040323 k( 162) = ( 0.5869565 0.3260870 0.5869565), wk = 0.0040323 k( 163) = ( 0.5923913 0.3152174 0.5923913), wk = 0.0040323 k( 164) = ( 0.5978261 0.3043478 0.5978261), wk = 0.0040323 k( 165) = ( 0.6032609 0.2934783 0.6032609), wk = 0.0040323 k( 166) = ( 0.6086957 0.2826087 0.6086957), wk = 0.0040323 k( 167) = ( 0.6141304 0.2717391 0.6141304), wk = 0.0040323 k( 168) = ( 0.6195652 0.2608696 0.6195652), wk = 0.0040323 k( 169) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0040323 k( 170) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0040323 k( 171) = ( 0.6153846 0.2500000 0.6346154), wk = 0.0040323 k( 172) = ( 0.6057692 0.2500000 0.6442308), wk = 0.0040323 k( 173) = ( 0.5961538 0.2500000 0.6538461), wk = 0.0040323 k( 174) = ( 0.5865385 0.2500000 0.6634615), wk = 0.0040323 k( 175) = ( 0.5769231 0.2500000 0.6730769), wk = 0.0040323 k( 176) = ( 0.5673077 0.2500000 0.6826923), wk = 0.0040323 k( 177) = ( 0.5576923 0.2500000 0.6923077), wk = 0.0040323 k( 178) = ( 0.5480769 0.2500000 0.7019231), wk = 0.0040323 k( 179) = ( 0.5384615 0.2500000 0.7115385), wk = 0.0040323 k( 180) = ( 0.5288462 0.2500000 0.7211538), wk = 0.0040323 k( 181) = ( 0.5192308 0.2500000 0.7307692), wk = 0.0040323 k( 182) = ( 0.5096154 0.2500000 0.7403846), wk = 0.0040323 k( 183) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0040323 k( 184) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0040323 k( 185) = ( 0.5000000 0.2596154 0.7403846), wk = 0.0040323 k( 186) = ( 0.5000000 0.2692308 0.7307692), wk = 0.0040323 k( 187) = ( 0.5000000 0.2788462 0.7211538), wk = 0.0040323 k( 188) = ( 0.5000000 0.2884615 0.7115385), wk = 0.0040323 k( 189) = ( 0.5000000 0.2980769 0.7019231), wk = 0.0040323 k( 190) = ( 0.5000000 0.3076923 0.6923077), wk = 0.0040323 k( 191) = ( 0.5000000 0.3173077 0.6826923), wk = 0.0040323 k( 192) = ( 0.5000000 0.3269231 0.6730769), wk = 0.0040323 k( 193) = ( 0.5000000 0.3365385 0.6634615), wk = 0.0040323 k( 194) = ( 0.5000000 0.3461538 0.6538462), wk = 0.0040323 k( 195) = ( 0.5000000 0.3557692 0.6442308), wk = 0.0040323 k( 196) = ( 0.5000000 0.3653846 0.6346154), wk = 0.0040323 k( 197) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0040323 k( 198) = ( 0.5000000 0.3846154 0.6153846), wk = 0.0040323 k( 199) = ( 0.5000000 0.3942308 0.6057692), wk = 0.0040323 k( 200) = ( 0.5000000 0.4038462 0.5961538), wk = 0.0040323 k( 201) = ( 0.5000000 0.4134615 0.5865385), wk = 0.0040323 k( 202) = ( 0.5000000 0.4230769 0.5769231), wk = 0.0040323 k( 203) = ( 0.5000000 0.4326923 0.5673077), wk = 0.0040323 k( 204) = ( 0.5000000 0.4423077 0.5576923), wk = 0.0040323 k( 205) = ( 0.5000000 0.4519231 0.5480769), wk = 0.0040323 k( 206) = ( 0.5000000 0.4615385 0.5384615), wk = 0.0040323 k( 207) = ( 0.5000000 0.4711538 0.5288462), wk = 0.0040323 k( 208) = ( 0.5000000 0.4807692 0.5192308), wk = 0.0040323 k( 209) = ( 0.5000000 0.4903846 0.5096154), wk = 0.0040323 k( 210) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0040323 k( 211) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0040323 k( 212) = ( 0.4945652 0.4945652 0.5108696), wk = 0.0040323 k( 213) = ( 0.4891304 0.4891304 0.5217391), wk = 0.0040323 k( 214) = ( 0.4836956 0.4836956 0.5326087), wk = 0.0040323 k( 215) = ( 0.4782609 0.4782609 0.5434783), wk = 0.0040323 k( 216) = ( 0.4728261 0.4728261 0.5543478), wk = 0.0040323 k( 217) = ( 0.4673913 0.4673913 0.5652174), wk = 0.0040323 k( 218) = ( 0.4619565 0.4619565 0.5760870), wk = 0.0040323 k( 219) = ( 0.4565217 0.4565217 0.5869565), wk = 0.0040323 k( 220) = ( 0.4510870 0.4510870 0.5978261), wk = 0.0040323 k( 221) = ( 0.4456522 0.4456522 0.6086957), wk = 0.0040323 k( 222) = ( 0.4402174 0.4402174 0.6195652), wk = 0.0040323 k( 223) = ( 0.4347826 0.4347826 0.6304348), wk = 0.0040323 k( 224) = ( 0.4293478 0.4293478 0.6413043), wk = 0.0040323 k( 225) = ( 0.4239130 0.4239130 0.6521739), wk = 0.0040323 k( 226) = ( 0.4184783 0.4184783 0.6630435), wk = 0.0040323 k( 227) = ( 0.4130435 0.4130435 0.6739130), wk = 0.0040323 k( 228) = ( 0.4076087 0.4076087 0.6847826), wk = 0.0040323 k( 229) = ( 0.4021739 0.4021739 0.6956522), wk = 0.0040323 k( 230) = ( 0.3967391 0.3967391 0.7065217), wk = 0.0040323 k( 231) = ( 0.3913044 0.3913044 0.7173913), wk = 0.0040323 k( 232) = ( 0.3858696 0.3858696 0.7282609), wk = 0.0040323 k( 233) = ( 0.3804348 0.3804348 0.7391304), wk = 0.0040323 k( 234) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0040323 k( 235) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0040323 k( 236) = ( 0.6153846 0.2307692 0.6153846), wk = 0.0040323 k( 237) = ( 0.6057692 0.2115385 0.6057692), wk = 0.0040323 k( 238) = ( 0.5961538 0.1923077 0.5961538), wk = 0.0040323 k( 239) = ( 0.5865385 0.1730769 0.5865385), wk = 0.0040323 k( 240) = ( 0.5769231 0.1538462 0.5769231), wk = 0.0040323 k( 241) = ( 0.5673077 0.1346154 0.5673077), wk = 0.0040323 k( 242) = ( 0.5576923 0.1153846 0.5576923), wk = 0.0040323 k( 243) = ( 0.5480769 0.0961539 0.5480769), wk = 0.0040323 k( 244) = ( 0.5384615 0.0769231 0.5384615), wk = 0.0040323 k( 245) = ( 0.5288462 0.0576923 0.5288462), wk = 0.0040323 k( 246) = ( 0.5192308 0.0384615 0.5192308), wk = 0.0040323 k( 247) = ( 0.5096154 0.0192308 0.5096154), wk = 0.0040323 k( 248) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0040323 Dense grid: 104459 G-vectors FFT dimensions: ( 72, 72, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.45 Mb ( 730, 40) NL pseudopotentials 0.91 Mb ( 365, 164) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.02 Mb ( 2903) G-vector shells 0.01 Mb ( 659) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.78 Mb ( 730, 160) Each subspace H/S matrix 0.02 Mb ( 40, 40) Each matrix 0.20 Mb ( 164, 2, 40) The potential is recalculated from file : ./CsK2Sb.save/charge-density.dat Starting wfc are 50 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.9 secs Computing kpt #: 2 total cpu time spent up to now is 4.8 secs Computing kpt #: 3 total cpu time spent up to now is 5.8 secs Computing kpt #: 4 total cpu time spent up to now is 6.7 secs Computing kpt #: 5 total cpu time spent up to now is 7.7 secs Computing kpt #: 6 total cpu time spent up to now is 8.6 secs Computing kpt #: 7 total cpu time spent up to now is 9.5 secs Computing kpt #: 8 total cpu time spent up to now is 10.4 secs Computing kpt #: 9 total cpu time spent up to now is 11.3 secs Computing kpt #: 10 total cpu time spent up to now is 12.2 secs Computing kpt #: 11 total cpu time spent up to now is 13.1 secs Computing kpt #: 12 total cpu time spent up to now is 14.0 secs Computing kpt #: 13 total cpu time spent up to now is 14.9 secs Computing kpt #: 14 total cpu time spent up to now is 15.8 secs Computing kpt #: 15 total cpu time spent up to now is 16.7 secs Computing kpt #: 16 total cpu time spent up to now is 17.6 secs Computing kpt #: 17 total cpu time spent up to now is 18.5 secs Computing kpt #: 18 total cpu time spent up to now is 19.4 secs Computing kpt #: 19 total cpu time spent up to now is 20.4 secs Computing kpt #: 20 total cpu time spent up to now is 21.4 secs Computing kpt #: 21 total cpu time spent up to now is 22.3 secs Computing kpt #: 22 total cpu time spent up to now is 23.3 secs Computing kpt #: 23 total cpu time spent up to now is 24.3 secs Computing kpt #: 24 total cpu time spent up to now is 25.3 secs Computing kpt #: 25 total cpu time spent up to now is 26.2 secs Computing kpt #: 26 total cpu time spent up to now is 27.2 secs Computing kpt #: 27 total cpu time spent up to now is 28.2 secs Computing kpt #: 28 total cpu time spent up to now is 29.4 secs Computing kpt #: 29 total cpu time spent up to now is 30.3 secs Computing kpt #: 30 total cpu time spent up to now is 31.3 secs Computing kpt #: 31 total cpu time spent up to now is 32.3 secs Computing kpt #: 32 total cpu time spent up to now is 33.3 secs Computing kpt #: 33 total cpu time spent up to now is 34.3 secs Computing kpt #: 34 total cpu time spent up to now is 35.3 secs Computing kpt #: 35 total cpu time spent up to now is 36.4 secs Computing kpt #: 36 total cpu time spent up to now is 37.6 secs Computing kpt #: 37 total cpu time spent up to now is 39.0 secs Computing kpt #: 38 total cpu time spent up to now is 40.5 secs Computing kpt #: 39 total cpu time spent up to now is 41.9 secs Computing kpt #: 40 total cpu time spent up to now is 43.6 secs Computing kpt #: 41 total cpu time spent up to now is 45.4 secs Computing kpt #: 42 total cpu time spent up to now is 46.7 secs Computing kpt #: 43 total cpu time spent up to now is 47.9 secs Computing kpt #: 44 total cpu time spent up to now is 49.1 secs Computing kpt #: 45 total cpu time spent up to now is 50.1 secs Computing kpt #: 46 total cpu time spent up to now is 51.1 secs Computing kpt #: 47 total cpu time spent up to now is 52.0 secs Computing kpt #: 48 total cpu time spent up to now is 53.0 secs Computing kpt #: 49 total cpu time spent up to now is 53.9 secs Computing kpt #: 50 total cpu time spent up to now is 54.9 secs Computing kpt #: 51 total cpu time spent up to now is 55.9 secs Computing kpt #: 52 total cpu time spent up to now is 56.9 secs Computing kpt #: 53 total cpu time spent up to now is 57.9 secs Computing kpt #: 54 total cpu time spent up to now is 58.8 secs Computing kpt #: 55 total cpu time spent up to now is 59.8 secs Computing kpt #: 56 total cpu time spent up to now is 60.8 secs Computing kpt #: 57 total cpu time spent up to now is 61.7 secs Computing kpt #: 58 total cpu time spent up to now is 62.7 secs Computing kpt #: 59 total cpu time spent up to now is 63.7 secs Computing kpt #: 60 total cpu time spent up to now is 64.6 secs Computing kpt #: 61 total cpu time spent up to now is 65.6 secs Computing kpt #: 62 total cpu time spent up to now is 66.6 secs Computing kpt #: 63 total cpu time spent up to now is 67.6 secs Computing kpt #: 64 total cpu time spent up to now is 68.5 secs Computing kpt #: 65 total cpu time spent up to now is 69.4 secs Computing kpt #: 66 total cpu time spent up to now is 70.4 secs Computing kpt #: 67 total cpu time spent up to now is 71.3 secs Computing kpt #: 68 total cpu time spent up to now is 72.3 secs Computing kpt #: 69 total cpu time spent up to now is 73.3 secs Computing kpt #: 70 total cpu time spent up to now is 74.6 secs Computing kpt #: 71 total cpu time spent up to now is 75.8 secs Computing kpt #: 72 total cpu time spent up to now is 76.8 secs Computing kpt #: 73 total cpu time spent up to now is 77.8 secs Computing kpt #: 74 total cpu time spent up to now is 78.9 secs Computing kpt #: 75 total cpu time spent up to now is 79.8 secs Computing kpt #: 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95.0 secs Computing kpt #: 92 total cpu time spent up to now is 96.0 secs Computing kpt #: 93 total cpu time spent up to now is 97.0 secs Computing kpt #: 94 total cpu time spent up to now is 98.0 secs Computing kpt #: 95 total cpu time spent up to now is 98.9 secs Computing kpt #: 96 total cpu time spent up to now is 99.9 secs Computing kpt #: 97 total cpu time spent up to now is 100.8 secs Computing kpt #: 98 total cpu time spent up to now is 101.7 secs Computing kpt #: 99 total cpu time spent up to now is 102.7 secs Computing kpt #: 100 total cpu time spent up to now is 103.7 secs Computing kpt #: 101 total cpu time spent up to now is 104.7 secs Computing kpt #: 102 total cpu time spent up to now is 105.6 secs Computing kpt #: 103 total cpu time spent up to now is 106.6 secs Computing kpt #: 104 total cpu time spent up to now is 107.5 secs Computing kpt #: 105 total cpu time spent up to now is 108.4 secs Computing kpt #: 106 total cpu time spent up to now is 109.4 secs Computing kpt #: 107 total cpu time spent up to now is 110.4 secs Computing kpt #: 108 total cpu time spent up to now is 111.4 secs Computing kpt #: 109 total cpu time spent up to now is 112.4 secs Computing kpt #: 110 total cpu time spent up to now is 113.3 secs Computing kpt #: 111 total cpu time spent up to now is 114.2 secs Computing kpt #: 112 total cpu time spent up to now is 115.1 secs Computing kpt #: 113 total cpu time spent up to now is 116.0 secs Computing kpt #: 114 total cpu time spent up to now is 116.9 secs Computing kpt #: 115 total cpu time spent up to now is 117.8 secs Computing kpt #: 116 total cpu time spent up to now is 118.7 secs Computing kpt #: 117 total cpu time spent up to now is 119.6 secs Computing kpt #: 118 total cpu time spent up to now is 120.5 secs Computing kpt #: 119 total cpu time spent up to now is 121.4 secs Computing kpt #: 120 total cpu time spent up to now is 122.3 secs Computing kpt #: 121 total cpu time spent up to now is 123.3 secs Computing kpt #: 122 total cpu time spent up to now is 124.2 secs Computing kpt #: 123 total cpu time spent up to now is 125.1 secs Computing kpt #: 124 total cpu time spent up to now is 126.0 secs Computing kpt #: 125 total cpu time spent up to now is 126.9 secs Computing kpt #: 126 total cpu time spent up to now is 127.8 secs Computing kpt #: 127 total cpu time spent up to now is 128.9 secs Computing kpt #: 128 total cpu time spent up to now is 129.9 secs Computing kpt #: 129 total cpu time spent up to now is 130.8 secs Computing kpt #: 130 total cpu time spent up to now is 131.7 secs Computing kpt #: 131 total cpu time spent up to now is 132.6 secs Computing kpt #: 132 total cpu time spent up to now is 133.5 secs Computing kpt #: 133 total cpu time spent up to now is 134.4 secs Computing kpt #: 134 total cpu time spent up to now is 135.3 secs Computing kpt #: 135 total cpu time spent up to now is 136.3 secs Computing kpt #: 136 total cpu time spent up to now is 137.2 secs Computing kpt #: 137 total cpu time spent up to now is 138.2 secs Computing kpt #: 138 total cpu time spent up to now is 139.1 secs Computing kpt #: 139 total cpu time spent up to now is 140.0 secs Computing kpt #: 140 total cpu time spent up to now is 141.0 secs Computing kpt #: 141 total cpu time spent up to now is 141.9 secs Computing kpt #: 142 total cpu time spent up to now is 142.9 secs Computing kpt #: 143 total cpu time spent up to now is 143.8 secs Computing kpt #: 144 total cpu time spent up to now is 144.7 secs Computing kpt #: 145 total cpu time spent up to now is 145.7 secs Computing kpt #: 146 total cpu time spent up to now is 146.7 secs Computing kpt #: 147 total cpu time spent up to now is 147.6 secs Computing kpt #: 148 total cpu time spent up to now is 148.6 secs Computing kpt #: 149 total cpu time spent up to now is 149.6 secs Computing kpt #: 150 total cpu time spent up to now is 150.5 secs Computing kpt #: 151 total cpu time spent up to now is 151.5 secs Computing kpt #: 152 total cpu time spent up to now is 152.6 secs Computing kpt #: 153 total cpu time spent up to now is 153.5 secs Computing kpt #: 154 total cpu time spent up to now is 154.6 secs Computing kpt #: 155 total cpu time spent up to now is 155.5 secs Computing kpt #: 156 total cpu time spent up to now is 156.5 secs Computing kpt #: 157 total cpu time spent up to now is 157.5 secs Computing kpt #: 158 total cpu time spent up to now is 158.5 secs Computing kpt #: 159 total cpu time spent up to now is 159.5 secs Computing kpt #: 160 total cpu time spent up to now is 160.5 secs Computing kpt #: 161 total cpu time spent up to now is 161.5 secs Computing kpt #: 162 total cpu time spent up to now is 162.4 secs Computing kpt #: 163 total cpu time spent up to now is 163.4 secs Computing kpt #: 164 total cpu time spent up to now is 164.4 secs Computing kpt #: 165 total cpu time spent up to now is 165.4 secs Computing kpt #: 166 total cpu time spent up to now is 166.3 secs Computing kpt #: 167 total cpu time spent up to now is 167.4 secs Computing kpt #: 168 total cpu time spent up to now is 168.3 secs Computing kpt #: 169 total cpu time spent up to now is 169.4 secs Computing kpt #: 170 total cpu time spent up to now is 170.4 secs Computing kpt #: 171 total cpu time spent up to now is 171.4 secs Computing kpt #: 172 total cpu time spent up to now is 172.6 secs Computing kpt #: 173 total cpu time spent up to now is 173.7 secs Computing kpt #: 174 total cpu time spent up to now is 174.6 secs Computing kpt #: 175 total cpu time spent up to now is 175.6 secs Computing kpt #: 176 total cpu time spent up to now is 176.6 secs Computing kpt #: 177 total cpu time spent up to now is 177.5 secs Computing kpt #: 178 total cpu time spent up to now is 178.4 secs Computing kpt #: 179 total cpu time spent up to now is 179.4 secs Computing kpt #: 180 total cpu time spent up to now is 180.4 secs Computing kpt #: 181 total cpu time spent up to now is 181.3 secs Computing kpt #: 182 total cpu time spent up to now is 182.3 secs Computing kpt #: 183 total cpu time spent up to now is 183.3 secs Computing kpt #: 184 total cpu time spent up to now is 184.2 secs Computing kpt #: 185 total cpu time spent up to now is 185.2 secs Computing kpt #: 186 total cpu time spent up to now is 186.1 secs Computing kpt #: 187 total cpu time spent up to now is 187.1 secs Computing kpt #: 188 total cpu time spent up to now is 188.1 secs Computing kpt #: 189 total cpu time spent up to now is 189.0 secs Computing kpt #: 190 total cpu time spent up to now is 189.9 secs Computing kpt #: 191 total cpu time spent up to now is 190.8 secs Computing kpt #: 192 total cpu time spent up to now is 191.7 secs Computing kpt #: 193 total cpu time spent up to now is 192.6 secs Computing kpt #: 194 total cpu time spent up to now is 193.6 secs Computing kpt #: 195 total cpu time spent up to now is 194.7 secs Computing kpt #: 196 total cpu time spent up to now is 195.6 secs Computing kpt #: 197 total cpu time spent up to now is 196.6 secs Computing kpt #: 198 total cpu time spent up to now is 197.5 secs Computing kpt #: 199 total cpu time spent up to now is 198.5 secs Computing kpt #: 200 total cpu time spent up to now is 199.4 secs Computing kpt #: 201 total cpu time spent up to now is 200.4 secs Computing kpt #: 202 total cpu time spent up to now is 201.4 secs Computing kpt #: 203 total cpu time spent up to now is 202.4 secs Computing kpt #: 204 total cpu time spent up to now is 203.3 secs Computing kpt #: 205 total cpu time spent up to now is 204.3 secs Computing kpt #: 206 total cpu time spent up to now is 205.3 secs Computing kpt #: 207 total cpu time spent up to now is 206.3 secs Computing kpt #: 208 total cpu time spent up to now is 207.2 secs Computing kpt #: 209 total cpu time spent up to now is 208.2 secs Computing kpt #: 210 total cpu time spent up to now is 209.1 secs Computing kpt #: 211 total cpu time spent up to now is 210.1 secs Computing kpt #: 212 total cpu time spent up to now is 211.1 secs Computing kpt #: 213 total cpu time spent up to now is 212.0 secs Computing kpt #: 214 total cpu time spent up to now is 213.0 secs Computing kpt #: 215 total cpu time spent up to now is 214.0 secs Computing kpt #: 216 total cpu time spent up to now is 215.0 secs Computing kpt #: 217 total cpu time spent up to now is 216.0 secs Computing kpt #: 218 total cpu time spent up to now is 217.0 secs Computing kpt #: 219 total cpu time spent up to now is 218.0 secs Computing kpt #: 220 total cpu time spent up to now is 219.2 secs Computing kpt #: 221 total cpu time spent up to now is 220.5 secs Computing kpt #: 222 total cpu time spent up to now is 221.5 secs Computing kpt #: 223 total cpu time spent up to now is 222.7 secs Computing kpt #: 224 total cpu time spent up to now is 223.8 secs Computing kpt #: 225 total cpu time spent up to now is 224.8 secs Computing kpt #: 226 total cpu time spent up to now is 225.7 secs Computing kpt #: 227 total cpu time spent up to now is 226.7 secs Computing kpt #: 228 total cpu time spent up to now is 227.7 secs Computing kpt #: 229 total cpu time spent up to now is 228.7 secs Computing kpt #: 230 total cpu time spent up to now is 229.6 secs Computing kpt #: 231 total cpu time spent up to now is 230.6 secs Computing kpt #: 232 total cpu time spent up to now is 231.6 secs Computing kpt #: 233 total cpu time spent up to now is 232.6 secs Computing kpt #: 234 total cpu time spent up to now is 233.7 secs Computing kpt #: 235 total cpu time spent up to now is 234.7 secs Computing kpt #: 236 total cpu time spent up to now is 235.7 secs Computing kpt #: 237 total cpu time spent up to now is 236.7 secs Computing kpt #: 238 total cpu time spent up to now is 237.8 secs Computing kpt #: 239 total cpu time spent up to now is 238.9 secs Computing kpt #: 240 total cpu time spent up to now is 240.0 secs Computing kpt #: 241 total cpu time spent up to now is 241.1 secs Computing kpt #: 242 total cpu time spent up to now is 242.3 secs Computing kpt #: 243 total cpu time spent up to now is 243.6 secs Computing kpt #: 244 total cpu time spent up to now is 244.8 secs Computing kpt #: 245 total cpu time spent up to now is 246.2 secs Computing kpt #: 246 total cpu time spent up to now is 247.9 secs Computing kpt #: 247 total cpu time spent up to now is 249.4 secs Computing kpt #: 248 total cpu time spent up to now is 251.1 secs ethr = 3.13E-08, avg # of iterations = 31.5 total cpu time spent up to now is 251.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 13107 PWs) bands (ev): -25.8674 -25.8674 -25.8532 -25.8532 -16.5578 -16.5578 -9.5967 -9.5967 -9.5343 -9.5343 -9.3349 -9.3349 -9.3349 -9.3349 -9.2674 -9.2674 -9.2674 -9.2674 -5.3460 -5.3460 -3.9080 -3.9080 -3.9080 -3.9080 -2.2137 -2.2137 4.6682 4.6682 5.1664 5.1664 5.1664 5.1664 6.1447 6.1447 7.0761 7.0761 7.0761 7.0761 7.6625 7.6625 k = 0.0135-0.0078 0.0110 ( 13091 PWs) bands (ev): -25.8674 -25.8674 -25.8532 -25.8532 -16.5578 -16.5578 -9.5966 -9.5966 -9.5344 -9.5344 -9.3349 -9.3349 -9.3348 -9.3348 -9.2674 -9.2674 -9.2673 -9.2673 -5.3461 -5.3461 -3.9083 -3.9083 -3.9080 -3.9080 -2.2130 -2.2130 4.6656 4.6656 5.1579 5.1579 5.1663 5.1663 6.1554 6.1554 7.0774 7.0774 7.0825 7.0825 7.6598 7.6598 k = 0.0270-0.0156 0.0221 ( 13075 PWs) bands (ev): -25.8673 -25.8673 -25.8532 -25.8532 -16.5578 -16.5578 -9.5966 -9.5966 -9.5344 -9.5344 -9.3351 -9.3351 -9.3345 -9.3345 -9.2677 -9.2677 -9.2672 -9.2672 -5.3461 -5.3461 -3.9090 -3.9090 -3.9079 -3.9079 -2.2108 -2.2108 4.6576 4.6576 5.1342 5.1342 5.1657 5.1657 6.1857 6.1857 7.0813 7.0813 7.1017 7.1017 7.6499 7.6499 k = 0.0405-0.0234 0.0331 ( 13115 PWs) bands (ev): -25.8673 -25.8673 -25.8533 -25.8533 -16.5579 -16.5579 -9.5965 -9.5965 -9.5346 -9.5346 -9.3354 -9.3354 -9.3340 -9.3340 -9.2682 -9.2682 -9.2671 -9.2671 -5.3463 -5.3463 -3.9102 -3.9102 -3.9078 -3.9078 -2.2072 -2.2072 4.6437 4.6437 5.0998 5.0998 5.1649 5.1649 6.2312 6.2312 7.0878 7.0878 7.1342 7.1342 7.6333 7.6333 k = 0.0541-0.0312 0.0441 ( 13107 PWs) bands (ev): -25.8672 -25.8672 -25.8533 -25.8533 -16.5579 -16.5579 -9.5963 -9.5963 -9.5348 -9.5348 -9.3358 -9.3358 -9.3334 -9.3334 -9.2689 -9.2689 -9.2669 -9.2669 -5.3464 -5.3464 -3.9118 -3.9118 -3.9076 -3.9076 -2.2023 -2.2023 4.6230 4.6230 5.0603 5.0603 5.1637 5.1637 6.2867 6.2867 7.0968 7.0968 7.1804 7.1804 7.6105 7.6105 k = 0.0676-0.0390 0.0552 ( 13087 PWs) bands (ev): -25.8671 -25.8671 -25.8534 -25.8534 -16.5580 -16.5580 -9.5962 -9.5962 -9.5350 -9.5350 -9.3363 -9.3363 -9.3326 -9.3326 -9.2697 -9.2697 -9.2666 -9.2666 -5.3467 -5.3467 -3.9138 -3.9138 -3.9074 -3.9074 -2.1962 -2.1962 4.5949 4.5949 5.0206 5.0206 5.1623 5.1623 6.3474 6.3474 7.1085 7.1085 7.2406 7.2406 7.5817 7.5817 k = 0.0811-0.0468 0.0662 ( 13063 PWs) bands (ev): -25.8670 -25.8670 -25.8535 -25.8535 -16.5580 -16.5580 -9.5960 -9.5960 -9.5354 -9.5354 -9.3369 -9.3369 -9.3316 -9.3316 -9.2707 -9.2707 -9.2663 -9.2663 -5.3469 -5.3469 -3.9162 -3.9162 -3.9071 -3.9071 -2.1890 -2.1890 4.5592 4.5592 4.9843 4.9843 5.1606 5.1606 6.4097 6.4097 7.1227 7.1227 7.3148 7.3148 7.5476 7.5476 k = 0.0946-0.0546 0.0772 ( 13063 PWs) bands (ev): -25.8669 -25.8669 -25.8536 -25.8536 -16.5581 -16.5581 -9.5958 -9.5958 -9.5357 -9.5357 -9.3377 -9.3377 -9.3304 -9.3304 -9.2718 -9.2718 -9.2659 -9.2659 -5.3472 -5.3472 -3.9189 -3.9189 -3.9067 -3.9067 -2.1808 -2.1808 4.5166 4.5166 4.9534 4.9534 5.1586 5.1586 6.4714 6.4714 7.1395 7.1395 7.4025 7.4025 7.5086 7.5086 k = 0.1081-0.0624 0.0883 ( 13055 PWs) bands (ev): -25.8668 -25.8668 -25.8537 -25.8537 -16.5582 -16.5582 -9.5955 -9.5955 -9.5362 -9.5362 -9.3385 -9.3385 -9.3290 -9.3290 -9.2731 -9.2731 -9.2655 -9.2655 -5.3475 -5.3475 -3.9218 -3.9218 -3.9064 -3.9064 -2.1718 -2.1718 4.4685 4.4685 4.9281 4.9281 5.1564 5.1564 6.5313 6.5313 7.1588 7.1588 7.4653 7.4653 7.5026 7.5026 k = 0.1216-0.0702 0.0993 ( 13059 PWs) bands (ev): -25.8667 -25.8667 -25.8538 -25.8538 -16.5583 -16.5583 -9.5953 -9.5953 -9.5367 -9.5367 -9.3394 -9.3394 -9.3275 -9.3275 -9.2745 -9.2745 -9.2651 -9.2651 -5.3479 -5.3479 -3.9248 -3.9248 -3.9059 -3.9059 -2.1622 -2.1622 4.4172 4.4172 4.9079 4.9079 5.1540 5.1540 6.5891 6.5891 7.1807 7.1807 7.4184 7.4184 7.6135 7.6135 k = 0.1351-0.0780 0.1103 ( 13063 PWs) bands (ev): -25.8665 -25.8665 -25.8540 -25.8540 -16.5584 -16.5584 -9.5950 -9.5950 -9.5372 -9.5372 -9.3404 -9.3404 -9.3258 -9.3258 -9.2761 -9.2761 -9.2646 -9.2646 -5.3482 -5.3482 -3.9280 -3.9280 -3.9055 -3.9055 -2.1521 -2.1521 4.3646 4.3646 4.8919 4.8919 5.1515 5.1515 6.6451 6.6451 7.2049 7.2049 7.3685 7.3685 7.7333 7.7333 k = 0.1486-0.0858 0.1214 ( 13051 PWs) bands (ev): -25.8663 -25.8663 -25.8541 -25.8541 -16.5585 -16.5585 -9.5948 -9.5948 -9.5379 -9.5379 -9.3415 -9.3415 -9.3239 -9.3239 -9.2777 -9.2777 -9.2640 -9.2640 -5.3486 -5.3486 -3.9312 -3.9312 -3.9050 -3.9050 -2.1419 -2.1419 4.3125 4.3125 4.8790 4.8790 5.1488 5.1488 6.6998 6.6998 7.2310 7.2310 7.3167 7.3167 7.8415 7.8415 k = 0.1622-0.0936 0.1324 ( 13043 PWs) bands (ev): -25.8662 -25.8662 -25.8543 -25.8543 -16.5586 -16.5586 -9.5945 -9.5945 -9.5385 -9.5385 -9.3426 -9.3426 -9.3219 -9.3219 -9.2794 -9.2794 -9.2634 -9.2634 -5.3489 -5.3489 -3.9344 -3.9344 -3.9045 -3.9045 -2.1315 -2.1315 4.2624 4.2624 4.8684 4.8684 5.1461 5.1461 6.7535 6.7535 7.2479 7.2479 7.2747 7.2747 7.8752 7.8752 k = 0.1757-0.1014 0.1434 ( 13055 PWs) bands (ev): -25.8660 -25.8660 -25.8544 -25.8544 -16.5587 -16.5587 -9.5943 -9.5943 -9.5393 -9.5393 -9.3438 -9.3438 -9.3198 -9.3198 -9.2812 -9.2812 -9.2628 -9.2628 -5.3493 -5.3493 -3.9376 -3.9376 -3.9039 -3.9039 -2.1213 -2.1213 4.2154 4.2154 4.8597 4.8597 5.1433 5.1433 6.8068 6.8068 7.2016 7.2016 7.2970 7.2970 7.9095 7.9095 k = 0.1892-0.1092 0.1545 ( 13039 PWs) bands (ev): -25.8658 -25.8658 -25.8546 -25.8546 -16.5588 -16.5588 -9.5941 -9.5941 -9.5401 -9.5401 -9.3451 -9.3451 -9.3175 -9.3175 -9.2831 -9.2831 -9.2622 -9.2622 -5.3496 -5.3496 -3.9406 -3.9406 -3.9034 -3.9034 -2.1114 -2.1114 4.1722 4.1722 4.8524 4.8524 5.1404 5.1404 6.8600 6.8600 7.1453 7.1453 7.3308 7.3308 7.9456 7.9456 k = 0.2027-0.1170 0.1655 ( 13043 PWs) bands (ev): -25.8656 -25.8656 -25.8548 -25.8548 -16.5589 -16.5589 -9.5939 -9.5939 -9.5410 -9.5410 -9.3464 -9.3464 -9.3152 -9.3152 -9.2849 -9.2849 -9.2615 -9.2615 -5.3499 -5.3499 -3.9434 -3.9434 -3.9028 -3.9028 -2.1020 -2.1020 4.1336 4.1336 4.8461 4.8461 5.1376 5.1376 6.9132 6.9132 7.0879 7.0879 7.3678 7.3678 7.9833 7.9833 k = 0.2162-0.1248 0.1765 ( 13027 PWs) bands (ev): -25.8654 -25.8654 -25.8550 -25.8550 -16.5591 -16.5591 -9.5938 -9.5938 -9.5419 -9.5419 -9.3477 -9.3477 -9.3127 -9.3127 -9.2868 -9.2868 -9.2609 -9.2609 -5.3502 -5.3502 -3.9460 -3.9460 -3.9022 -3.9022 -2.0931 -2.0931 4.0999 4.0999 4.8407 4.8407 5.1348 5.1348 6.9666 6.9666 7.0303 7.0303 7.4075 7.4075 8.0224 8.0224 k = 0.2297-0.1326 0.1876 ( 13031 PWs) bands (ev): -25.8652 -25.8652 -25.8551 -25.8551 -16.5592 -16.5592 -9.5936 -9.5936 -9.5428 -9.5428 -9.3491 -9.3491 -9.3101 -9.3101 -9.2887 -9.2887 -9.2602 -9.2602 -5.3504 -5.3504 -3.9484 -3.9484 -3.9016 -3.9016 -2.0850 -2.0850 4.0714 4.0714 4.8359 4.8359 5.1321 5.1321 6.9731 6.9731 7.0200 7.0200 7.4497 7.4497 8.0626 8.0626 k = 0.2432-0.1404 0.1986 ( 13031 PWs) bands (ev): -25.8649 -25.8649 -25.8553 -25.8553 -16.5593 -16.5593 -9.5935 -9.5935 -9.5438 -9.5438 -9.3505 -9.3505 -9.3075 -9.3075 -9.2906 -9.2906 -9.2595 -9.2595 -5.3507 -5.3507 -3.9506 -3.9506 -3.9009 -3.9009 -2.0776 -2.0776 4.0482 4.0482 4.8318 4.8318 5.1295 5.1295 6.9165 6.9165 7.0733 7.0733 7.4944 7.4944 8.1037 8.1037 k = 0.2568-0.1482 0.2096 ( 13031 PWs) bands (ev): -25.8647 -25.8647 -25.8555 -25.8555 -16.5595 -16.5595 -9.5934 -9.5934 -9.5449 -9.5449 -9.3518 -9.3518 -9.3048 -9.3048 -9.2924 -9.2924 -9.2588 -9.2588 -5.3508 -5.3508 -3.9525 -3.9525 -3.9003 -3.9003 -2.0712 -2.0712 4.0306 4.0306 4.8281 4.8281 5.1269 5.1269 6.8611 6.8611 7.1261 7.1261 7.5417 7.5417 8.1454 8.1454 k = 0.2703-0.1560 0.2207 ( 13023 PWs) bands (ev): -25.8645 -25.8645 -25.8557 -25.8557 -16.5596 -16.5596 -9.5934 -9.5934 -9.5459 -9.5459 -9.3532 -9.3532 -9.3021 -9.3021 -9.2942 -9.2942 -9.2581 -9.2581 -5.3510 -5.3510 -3.9540 -3.9540 -3.8997 -3.8997 -2.0657 -2.0657 4.0183 4.0183 4.8249 4.8249 5.1245 5.1245 6.8071 6.8071 7.1781 7.1781 7.5914 7.5914 8.1874 8.1874 k = 0.2838-0.1638 0.2317 ( 13023 PWs) bands (ev): -25.8643 -25.8643 -25.8559 -25.8559 -16.5597 -16.5597 -9.5934 -9.5934 -9.5470 -9.5470 -9.3546 -9.3546 -9.2994 -9.2994 -9.2960 -9.2960 -9.2575 -9.2575 -5.3511 -5.3511 -3.9553 -3.9553 -3.8991 -3.8991 -2.0611 -2.0611 4.0112 4.0112 4.8221 4.8221 5.1222 5.1222 6.7548 6.7548 7.2287 7.2287 7.6435 7.6435 8.2295 8.2295 k = 0.2973-0.1716 0.2427 ( 13047 PWs) bands (ev): -25.8641 -25.8641 -25.8561 -25.8561 -16.5599 -16.5599 -9.5934 -9.5934 -9.5481 -9.5481 -9.3559 -9.3559 -9.2977 -9.2977 -9.2967 -9.2967 -9.2568 -9.2568 -5.3511 -5.3511 -3.9564 -3.9564 -3.8985 -3.8985 -2.0575 -2.0575 4.0093 4.0093 4.8197 4.8197 5.1200 5.1200 6.7044 6.7044 7.2771 7.2771 7.6980 7.6980 8.2714 8.2714 k = 0.3108-0.1794 0.2538 ( 13051 PWs) bands (ev): -25.8639 -25.8639 -25.8563 -25.8563 -16.5600 -16.5600 -9.5934 -9.5934 -9.5492 -9.5492 -9.3572 -9.3572 -9.2993 -9.2993 -9.2941 -9.2941 -9.2562 -9.2562 -5.3511 -5.3511 -3.9571 -3.9571 -3.8979 -3.8979 -2.0548 -2.0548 4.0121 4.0121 4.8176 4.8176 5.1180 5.1180 6.6563 6.6563 7.3224 7.3224 7.7549 7.7549 8.3126 8.3126 k = 0.3243-0.1872 0.2648 ( 13027 PWs) bands (ev): -25.8637 -25.8637 -25.8564 -25.8564 -16.5601 -16.5601 -9.5935 -9.5935 -9.5503 -9.5503 -9.3584 -9.3584 -9.3008 -9.3008 -9.2915 -9.2915 -9.2555 -9.2555 -5.3511 -5.3511 -3.9576 -3.9576 -3.8974 -3.8974 -2.0530 -2.0530 4.0192 4.0192 4.8158 4.8158 5.1161 5.1161 6.6107 6.6107 7.3635 7.3635 7.8141 7.8141 8.3529 8.3529 k = 0.3378-0.1951 0.2758 ( 13027 PWs) bands (ev): -25.8635 -25.8635 -25.8566 -25.8566 -16.5602 -16.5602 -9.5936 -9.5936 -9.5514 -9.5514 -9.3596 -9.3596 -9.3022 -9.3022 -9.2890 -9.2890 -9.2549 -9.2549 -5.3511 -5.3511 -3.9579 -3.9579 -3.8968 -3.8968 -2.0519 -2.0519 4.0302 4.0302 4.8144 4.8144 5.1144 5.1144 6.5676 6.5676 7.3992 7.3992 7.8756 7.8756 8.3917 8.3917 k = 0.3514-0.2029 0.2869 ( 13051 PWs) bands (ev): -25.8633 -25.8633 -25.8567 -25.8567 -16.5603 -16.5603 -9.5937 -9.5937 -9.5525 -9.5525 -9.3608 -9.3608 -9.3036 -9.3036 -9.2866 -9.2866 -9.2544 -9.2544 -5.3510 -5.3510 -3.9580 -3.9580 -3.8963 -3.8963 -2.0516 -2.0516 4.0446 4.0446 4.8132 4.8132 5.1128 5.1128 6.5274 6.5274 7.4279 7.4279 7.9392 7.9392 8.4286 8.4286 k = 0.3649-0.2107 0.2979 ( 13047 PWs) bands (ev): -25.8632 -25.8632 -25.8569 -25.8569 -16.5604 -16.5604 -9.5938 -9.5938 -9.5535 -9.5535 -9.3618 -9.3618 -9.3048 -9.3048 -9.2843 -9.2843 -9.2539 -9.2539 -5.3509 -5.3509 -3.9579 -3.9579 -3.8959 -3.8959 -2.0518 -2.0518 4.0617 4.0617 4.8124 4.8124 5.1114 5.1114 6.4902 6.4902 7.4483 7.4483 8.0050 8.0050 8.4624 8.4624 k = 0.3784-0.2185 0.3089 ( 13015 PWs) bands (ev): -25.8630 -25.8630 -25.8570 -25.8570 -16.5605 -16.5605 -9.5939 -9.5939 -9.5544 -9.5544 -9.3628 -9.3628 -9.3059 -9.3059 -9.2822 -9.2822 -9.2534 -9.2534 -5.3508 -5.3508 -3.9577 -3.9577 -3.8954 -3.8954 -2.0525 -2.0525 4.0807 4.0807 4.8118 4.8118 5.1101 5.1101 6.4562 6.4562 7.4594 7.4594 8.0728 8.0728 8.4863 8.4863 k = 0.3919-0.2263 0.3200 ( 13019 PWs) bands (ev): -25.8629 -25.8629 -25.8571 -25.8571 -16.5606 -16.5606 -9.5940 -9.5940 -9.5553 -9.5553 -9.3637 -9.3637 -9.3069 -9.3069 -9.2802 -9.2802 -9.2529 -9.2529 -5.3507 -5.3507 -3.9574 -3.9574 -3.8950 -3.8950 -2.0535 -2.0535 4.1010 4.1010 4.8115 4.8115 5.1090 5.1090 6.4253 6.4253 7.4608 7.4608 8.1424 8.1424 8.4722 8.4722 k = 0.4054-0.2341 0.3310 ( 13011 PWs) bands (ev): -25.8627 -25.8627 -25.8573 -25.8573 -16.5607 -16.5607 -9.5941 -9.5941 -9.5561 -9.5561 -9.3645 -9.3645 -9.3078 -9.3078 -9.2784 -9.2784 -9.2525 -9.2525 -5.3506 -5.3506 -3.9571 -3.9571 -3.8947 -3.8947 -2.0548 -2.0548 4.1217 4.1217 4.8114 4.8114 5.1080 5.1080 6.3979 6.3979 7.4533 7.4533 8.2136 8.2136 8.4459 8.4459 k = 0.4189-0.2419 0.3420 ( 13016 PWs) bands (ev): -25.8626 -25.8626 -25.8574 -25.8574 -16.5608 -16.5608 -9.5942 -9.5942 -9.5568 -9.5568 -9.3652 -9.3652 -9.3086 -9.3086 -9.2768 -9.2768 -9.2522 -9.2522 -5.3505 -5.3505 -3.9567 -3.9567 -3.8944 -3.8944 -2.0562 -2.0562 4.1420 4.1420 4.8116 4.8116 5.1072 5.1072 6.3739 6.3739 7.4385 7.4385 8.2860 8.2860 8.4274 8.4274 k = 0.4324-0.2497 0.3531 ( 13008 PWs) bands (ev): -25.8625 -25.8625 -25.8574 -25.8574 -16.5608 -16.5608 -9.5943 -9.5943 -9.5575 -9.5575 -9.3658 -9.3658 -9.3093 -9.3093 -9.2755 -9.2755 -9.2519 -9.2519 -5.3504 -5.3504 -3.9563 -3.9563 -3.8941 -3.8941 -2.0576 -2.0576 4.1610 4.1610 4.8118 4.8118 5.1065 5.1065 6.3535 6.3535 7.4193 7.4193 8.3590 8.3590 8.4171 8.4171 k = 0.4459-0.2575 0.3641 ( 13012 PWs) bands (ev): -25.8625 -25.8625 -25.8575 -25.8575 -16.5609 -16.5609 -9.5944 -9.5944 -9.5580 -9.5580 -9.3663 -9.3663 -9.3098 -9.3098 -9.2743 -9.2743 -9.2516 -9.2516 -5.3503 -5.3503 -3.9559 -3.9559 -3.8939 -3.8939 -2.0589 -2.0589 4.1778 4.1778 4.8121 4.8121 5.1059 5.1059 6.3366 6.3366 7.3986 7.3986 8.4129 8.4129 8.4314 8.4314 k = 0.4595-0.2653 0.3751 ( 12996 PWs) bands (ev): -25.8624 -25.8624 -25.8576 -25.8576 -16.5609 -16.5609 -9.5944 -9.5944 -9.5584 -9.5584 -9.3667 -9.3667 -9.3103 -9.3103 -9.2734 -9.2734 -9.2514 -9.2514 -5.3502 -5.3502 -3.9556 -3.9556 -3.8937 -3.8937 -2.0600 -2.0600 4.1918 4.1918 4.8125 4.8125 5.1055 5.1055 6.3235 6.3235 7.3792 7.3792 8.4125 8.4125 8.5012 8.5012 k = 0.4730-0.2731 0.3862 ( 13008 PWs) bands (ev): -25.8623 -25.8623 -25.8576 -25.8576 -16.5609 -16.5609 -9.5945 -9.5945 -9.5587 -9.5587 -9.3670 -9.3670 -9.3106 -9.3106 -9.2728 -9.2728 -9.2513 -9.2513 -5.3501 -5.3501 -3.9553 -3.9553 -3.8936 -3.8936 -2.0608 -2.0608 4.2023 4.2023 4.8128 4.8128 5.1052 5.1052 6.3141 6.3141 7.3636 7.3636 8.4137 8.4137 8.5639 8.5639 k = 0.4865-0.2809 0.3972 ( 13000 PWs) bands (ev): -25.8623 -25.8623 -25.8576 -25.8576 -16.5610 -16.5610 -9.5945 -9.5945 -9.5589 -9.5589 -9.3672 -9.3672 -9.3107 -9.3107 -9.2724 -9.2724 -9.2512 -9.2512 -5.3501 -5.3501 -3.9552 -3.9552 -3.8935 -3.8935 -2.0614 -2.0614 4.2089 4.2089 4.8130 4.8130 5.1050 5.1050 6.3084 6.3084 7.3536 7.3536 8.4151 8.4151 8.6105 8.6106 k = 0.5000-0.2887 0.4082 ( 13024 PWs) bands (ev): -25.8623 -25.8623 -25.8576 -25.8576 -16.5610 -16.5610 -9.5945 -9.5945 -9.5590 -9.5590 -9.3672 -9.3672 -9.3108 -9.3108 -9.2723 -9.2723 -9.2512 -9.2512 -5.3501 -5.3501 -3.9551 -3.9551 -3.8935 -3.8935 -2.0616 -2.0616 4.2111 4.2111 4.8131 4.8131 5.1049 5.1049 6.3065 6.3065 7.3501 7.3501 8.4156 8.4156 8.6282 8.6282 k = 0.5000-0.2887 0.4082 ( 13024 PWs) bands (ev): -25.8623 -25.8623 -25.8576 -25.8576 -16.5610 -16.5610 -9.5945 -9.5945 -9.5590 -9.5590 -9.3672 -9.3672 -9.3108 -9.3108 -9.2723 -9.2723 -9.2512 -9.2512 -5.3501 -5.3501 -3.9551 -3.9551 -3.8935 -3.8935 -2.0616 -2.0616 4.2111 4.2111 4.8131 4.8131 5.1049 5.1049 6.3065 6.3065 7.3501 7.3501 8.4156 8.4156 8.6282 8.6282 k = 0.5000-0.2735 0.4190 ( 13006 PWs) bands (ev): -25.8623 -25.8623 -25.8577 -25.8577 -16.5610 -16.5610 -9.5944 -9.5944 -9.5590 -9.5590 -9.3671 -9.3671 -9.3108 -9.3108 -9.2723 -9.2723 -9.2513 -9.2513 -5.3501 -5.3501 -3.9551 -3.9551 -3.8936 -3.8936 -2.0613 -2.0613 4.2115 4.2115 4.8106 4.8106 5.1015 5.1015 6.3120 6.3120 7.3529 7.3529 8.4167 8.4167 8.6311 8.6311 k = 0.5000-0.2583 0.4297 ( 13018 PWs) bands (ev): -25.8623 -25.8623 -25.8577 -25.8577 -16.5610 -16.5610 -9.5943 -9.5943 -9.5591 -9.5591 -9.3668 -9.3668 -9.3110 -9.3110 -9.2722 -9.2722 -9.2515 -9.2515 -5.3501 -5.3501 -3.9549 -3.9549 -3.8939 -3.8939 -2.0607 -2.0607 4.2127 4.2127 4.8034 4.8034 5.0916 5.0916 6.3281 6.3281 7.3611 7.3611 8.4199 8.4199 8.6380 8.6380 k = 0.5000-0.2431 0.4405 ( 13014 PWs) bands (ev): -25.8622 -25.8622 -25.8577 -25.8577 -16.5610 -16.5610 -9.5940 -9.5940 -9.5593 -9.5593 -9.3663 -9.3663 -9.3112 -9.3112 -9.2722 -9.2722 -9.2520 -9.2520 -5.3500 -5.3500 -3.9545 -3.9545 -3.8945 -3.8945 -2.0595 -2.0595 4.2147 4.2147 4.7917 4.7917 5.0756 5.0756 6.3544 6.3544 7.3743 7.3743 8.4245 8.4245 8.6302 8.6302 k = 0.5000-0.2279 0.4512 ( 13004 PWs) bands (ev): -25.8622 -25.8622 -25.8578 -25.8578 -16.5610 -16.5610 -9.5935 -9.5935 -9.5596 -9.5596 -9.3657 -9.3657 -9.3116 -9.3116 -9.2721 -9.2721 -9.2526 -9.2526 -5.3500 -5.3500 -3.9541 -3.9541 -3.8953 -3.8953 -2.0580 -2.0580 4.2174 4.2174 4.7761 4.7761 5.0544 5.0544 6.3902 6.3902 7.3914 7.3914 8.4299 8.4299 8.6069 8.6069 k = 0.5000-0.2127 0.4620 ( 13004 PWs) bands (ev): -25.8621 -25.8621 -25.8578 -25.8578 -16.5610 -16.5610 -9.5930 -9.5930 -9.5599 -9.5599 -9.3648 -9.3648 -9.3120 -9.3120 -9.2721 -9.2721 -9.2534 -9.2534 -5.3500 -5.3500 -3.9535 -3.9535 -3.8964 -3.8964 -2.0562 -2.0562 4.2210 4.2210 4.7573 4.7573 5.0288 5.0288 6.4347 6.4347 7.4114 7.4114 8.4352 8.4352 8.5765 8.5765 k = 0.5000-0.1975 0.4727 ( 13000 PWs) bands (ev): -25.8620 -25.8620 -25.8579 -25.8579 -16.5610 -16.5610 -9.5924 -9.5924 -9.5603 -9.5603 -9.3638 -9.3638 -9.3125 -9.3125 -9.2720 -9.2720 -9.2543 -9.2543 -5.3500 -5.3500 -3.9528 -3.9528 -3.8976 -3.8976 -2.0540 -2.0540 4.2252 4.2252 4.7360 4.7360 4.9998 4.9998 6.4869 6.4869 7.4333 7.4333 8.4399 8.4399 8.5404 8.5404 k = 0.5000-0.1823 0.4835 ( 13000 PWs) bands (ev): -25.8619 -25.8619 -25.8580 -25.8580 -16.5610 -16.5610 -9.5917 -9.5917 -9.5608 -9.5608 -9.3626 -9.3626 -9.3132 -9.3132 -9.2719 -9.2719 -9.2553 -9.2553 -5.3499 -5.3499 -3.9520 -3.9520 -3.8990 -3.8990 -2.0516 -2.0516 4.2300 4.2300 4.7132 4.7132 4.9685 4.9685 6.5461 6.5461 7.4559 7.4559 8.4431 8.4431 8.4995 8.4995 k = 0.5000-0.1671 0.4942 ( 13004 PWs) bands (ev): -25.8618 -25.8618 -25.8581 -25.8581 -16.5610 -16.5610 -9.5909 -9.5909 -9.5613 -9.5613 -9.3613 -9.3613 -9.3140 -9.3140 -9.2717 -9.2717 -9.2563 -9.2563 -5.3499 -5.3499 -3.9510 -3.9510 -3.9006 -3.9006 -2.0490 -2.0490 4.2354 4.2354 4.6895 4.6895 4.9357 4.9357 6.6113 6.6113 7.4783 7.4783 8.4367 8.4367 8.4615 8.4615 k = 0.5000-0.1519 0.5049 ( 13000 PWs) bands (ev): -25.8617 -25.8617 -25.8583 -25.8583 -16.5610 -16.5610 -9.5900 -9.5900 -9.5619 -9.5619 -9.3598 -9.3598 -9.3148 -9.3148 -9.2716 -9.2716 -9.2575 -9.2575 -5.3498 -5.3498 -3.9500 -3.9500 -3.9022 -3.9022 -2.0462 -2.0462 4.2413 4.2413 4.6659 4.6659 4.9022 4.9022 6.6820 6.6820 7.4997 7.4997 8.3917 8.3917 8.4553 8.4553 k = 0.5000-0.1367 0.5157 ( 13002 PWs) bands (ev): -25.8616 -25.8616 -25.8584 -25.8584 -16.5610 -16.5610 -9.5891 -9.5891 -9.5625 -9.5625 -9.3582 -9.3582 -9.3158 -9.3158 -9.2714 -9.2714 -9.2587 -9.2587 -5.3498 -5.3498 -3.9489 -3.9489 -3.9040 -3.9040 -2.0435 -2.0435 4.2475 4.2475 4.6431 4.6431 4.8687 4.8687 6.7575 6.7575 7.5196 7.5196 8.3325 8.3325 8.4565 8.4565 k = 0.5000-0.1215 0.5264 ( 13012 PWs) bands (ev): -25.8614 -25.8614 -25.8585 -25.8585 -16.5610 -16.5610 -9.5882 -9.5882 -9.5631 -9.5631 -9.3566 -9.3566 -9.3169 -9.3169 -9.2712 -9.2712 -9.2599 -9.2599 -5.3497 -5.3497 -3.9477 -3.9477 -3.9059 -3.9059 -2.0408 -2.0408 4.2538 4.2538 4.6217 4.6217 4.8360 4.8360 6.8371 6.8371 7.5375 7.5375 8.2662 8.2662 8.4579 8.4579 k = 0.5000-0.1064 0.5372 ( 13008 PWs) bands (ev): -25.8613 -25.8613 -25.8587 -25.8587 -16.5610 -16.5610 -9.5873 -9.5873 -9.5638 -9.5638 -9.3548 -9.3548 -9.3181 -9.3181 -9.2710 -9.2710 -9.2611 -9.2611 -5.3497 -5.3497 -3.9464 -3.9464 -3.9078 -3.9078 -2.0381 -2.0381 4.2601 4.2601 4.6025 4.6025 4.8046 4.8046 6.9204 6.9204 7.5534 7.5534 8.1936 8.1936 8.4592 8.4592 k = 0.5000-0.0912 0.5479 ( 13022 PWs) bands (ev): -25.8611 -25.8611 -25.8589 -25.8589 -16.5610 -16.5610 -9.5864 -9.5864 -9.5644 -9.5644 -9.3531 -9.3531 -9.3193 -9.3193 -9.2707 -9.2707 -9.2622 -9.2622 -5.3497 -5.3497 -3.9451 -3.9451 -3.9097 -3.9097 -2.0357 -2.0357 4.2661 4.2661 4.5860 4.5860 4.7750 4.7750 7.0068 7.0068 7.5670 7.5670 8.1155 8.1155 8.4603 8.4603 k = 0.5000-0.0760 0.5587 ( 13032 PWs) bands (ev): -25.8609 -25.8609 -25.8590 -25.8590 -16.5610 -16.5610 -9.5856 -9.5856 -9.5650 -9.5650 -9.3513 -9.3513 -9.3206 -9.3206 -9.2705 -9.2705 -9.2633 -9.2633 -5.3496 -5.3496 -3.9438 -3.9438 -3.9115 -3.9115 -2.0335 -2.0335 4.2715 4.2715 4.5726 4.5726 4.7480 4.7480 7.0959 7.0959 7.5784 7.5784 8.0325 8.0325 8.4611 8.4611 k = 0.5000-0.0608 0.5694 ( 13038 PWs) bands (ev): -25.8607 -25.8607 -25.8592 -25.8592 -16.5610 -16.5610 -9.5848 -9.5848 -9.5656 -9.5656 -9.3497 -9.3497 -9.3218 -9.3218 -9.2702 -9.2702 -9.2642 -9.2642 -5.3496 -5.3496 -3.9425 -3.9425 -3.9132 -3.9132 -2.0316 -2.0316 4.2762 4.2762 4.5624 4.5624 4.7240 4.7240 7.1871 7.1871 7.5877 7.5877 7.9456 7.9456 8.4617 8.4617 k = 0.5000-0.0456 0.5801 ( 13064 PWs) bands (ev): -25.8606 -25.8606 -25.8594 -25.8594 -16.5610 -16.5610 -9.5842 -9.5842 -9.5661 -9.5661 -9.3482 -9.3482 -9.3230 -9.3230 -9.2698 -9.2698 -9.2651 -9.2651 -5.3496 -5.3496 -3.9414 -3.9414 -3.9146 -3.9146 -2.0301 -2.0301 4.2800 4.2800 4.5554 4.5554 4.7038 4.7038 7.2799 7.2799 7.5947 7.5947 7.8557 7.8557 8.4622 8.4622 k = 0.5000-0.0304 0.5909 ( 13072 PWs) bands (ev): -25.8604 -25.8604 -25.8596 -25.8596 -16.5610 -16.5610 -9.5837 -9.5837 -9.5665 -9.5665 -9.3470 -9.3470 -9.3240 -9.3240 -9.2695 -9.2695 -9.2658 -9.2658 -5.3496 -5.3496 -3.9405 -3.9405 -3.9158 -3.9158 -2.0290 -2.0290 4.2827 4.2827 4.5511 4.5511 4.6883 4.6883 7.3733 7.3733 7.5997 7.5997 7.7640 7.7640 8.4625 8.4625 k = 0.5000-0.0152 0.6016 ( 13088 PWs) bands (ev): -25.8602 -25.8602 -25.8598 -25.8598 -16.5610 -16.5610 -9.5833 -9.5833 -9.5667 -9.5667 -9.3462 -9.3462 -9.3246 -9.3246 -9.2692 -9.2692 -9.2664 -9.2664 -5.3496 -5.3496 -3.9399 -3.9399 -3.9166 -3.9166 -2.0283 -2.0283 4.2843 4.2843 4.5490 4.5490 4.6785 4.6785 7.4650 7.4650 7.6026 7.6026 7.6734 7.6734 8.4627 8.4627 k = 0.5000 0.0000 0.6124 ( 13060 PWs) bands (ev): -25.8600 -25.8600 -25.8600 -25.8600 -16.5610 -16.5610 -9.5832 -9.5832 -9.5668 -9.5668 -9.3459 -9.3459 -9.3248 -9.3248 -9.2691 -9.2691 -9.2666 -9.2666 -5.3496 -5.3496 -3.9397 -3.9397 -3.9168 -3.9168 -2.0281 -2.0281 4.2849 4.2849 4.5484 4.5484 4.6751 4.6751 7.5286 7.5286 7.6009 7.6009 7.6127 7.6127 8.4628 8.4628 k = 0.5000 0.0000 0.6124 ( 13060 PWs) bands (ev): -25.8600 -25.8600 -25.8600 -25.8600 -16.5610 -16.5610 -9.5832 -9.5832 -9.5668 -9.5668 -9.3459 -9.3459 -9.3248 -9.3248 -9.2691 -9.2691 -9.2666 -9.2666 -5.3496 -5.3496 -3.9397 -3.9397 -3.9168 -3.9168 -2.0281 -2.0281 4.2849 4.2849 4.5484 4.5484 4.6751 4.6751 7.5286 7.5286 7.6009 7.6009 7.6127 7.6127 8.4628 8.4628 k = 0.4904 0.0167 0.6124 ( 13086 PWs) bands (ev): -25.8601 -25.8601 -25.8599 -25.8599 -16.5610 -16.5610 -9.5833 -9.5833 -9.5667 -9.5667 -9.3461 -9.3461 -9.3247 -9.3247 -9.2692 -9.2692 -9.2665 -9.2665 -5.3496 -5.3496 -3.9399 -3.9399 -3.9167 -3.9167 -2.0281 -2.0281 4.2838 4.2838 4.5474 4.5474 4.6779 4.6779 7.4859 7.4859 7.6068 7.6068 7.6521 7.6521 8.4633 8.4633 k = 0.4808 0.0333 0.6124 ( 13077 PWs) bands (ev): -25.8603 -25.8603 -25.8597 -25.8597 -16.5610 -16.5610 -9.5834 -9.5834 -9.5666 -9.5666 -9.3464 -9.3464 -9.3243 -9.3243 -9.2694 -9.2694 -9.2664 -9.2664 -5.3496 -5.3496 -3.9404 -3.9404 -3.9161 -3.9161 -2.0281 -2.0281 4.2812 4.2812 4.5442 4.5442 4.6858 4.6858 7.4188 7.4188 7.6167 7.6167 7.7170 7.7170 8.4653 8.4653 k = 0.4712 0.0500 0.6124 ( 13065 PWs) bands (ev): -25.8604 -25.8604 -25.8596 -25.8596 -16.5609 -16.5609 -9.5835 -9.5835 -9.5664 -9.5664 -9.3469 -9.3469 -9.3237 -9.3237 -9.2697 -9.2697 -9.2662 -9.2662 -5.3496 -5.3496 -3.9412 -3.9412 -3.9154 -3.9154 -2.0281 -2.0281 4.2774 4.2774 4.5389 4.5389 4.6980 4.6980 7.3511 7.3511 7.6285 7.6285 7.7854 7.7854 8.4694 8.4694 k = 0.4615 0.0666 0.6124 ( 13039 PWs) bands (ev): -25.8605 -25.8605 -25.8595 -25.8595 -16.5609 -16.5609 -9.5836 -9.5836 -9.5662 -9.5662 -9.3475 -9.3475 -9.3230 -9.3230 -9.2699 -9.2699 -9.2661 -9.2661 -5.3497 -5.3497 -3.9422 -3.9422 -3.9144 -3.9144 -2.0281 -2.0281 4.2730 4.2730 4.5325 4.5325 4.7130 4.7130 7.2861 7.2861 7.6420 7.6420 7.8541 7.8541 8.4764 8.4764 k = 0.4519 0.0833 0.6124 ( 13027 PWs) bands (ev): -25.8606 -25.8606 -25.8594 -25.8594 -16.5609 -16.5609 -9.5838 -9.5838 -9.5660 -9.5660 -9.3481 -9.3481 -9.3222 -9.3222 -9.2702 -9.2702 -9.2660 -9.2660 -5.3497 -5.3497 -3.9432 -3.9432 -3.9134 -3.9134 -2.0281 -2.0281 4.2684 4.2684 4.5255 4.5255 4.7294 4.7294 7.2251 7.2251 7.6562 7.6562 7.9218 7.9218 8.4867 8.4867 k = 0.4423 0.0999 0.6124 ( 13029 PWs) bands (ev): -25.8607 -25.8607 -25.8593 -25.8593 -16.5609 -16.5609 -9.5840 -9.5840 -9.5657 -9.5657 -9.3488 -9.3488 -9.3213 -9.3213 -9.2704 -9.2704 -9.2660 -9.2660 -5.3497 -5.3497 -3.9443 -3.9443 -3.9124 -3.9124 -2.0280 -2.0280 4.2638 4.2638 4.5185 4.5185 4.7464 4.7464 7.1690 7.1690 7.6706 7.6706 7.9877 7.9877 8.5008 8.5008 k = 0.4327 0.1166 0.6124 ( 13027 PWs) bands (ev): -25.8607 -25.8607 -25.8592 -25.8592 -16.5609 -16.5609 -9.5841 -9.5841 -9.5655 -9.5655 -9.3495 -9.3495 -9.3205 -9.3205 -9.2706 -9.2706 -9.2660 -9.2660 -5.3498 -5.3498 -3.9453 -3.9453 -3.9115 -3.9115 -2.0280 -2.0280 4.2595 4.2595 4.5119 4.5119 4.7629 4.7629 7.1186 7.1186 7.6845 7.6845 8.0507 8.0507 8.5188 8.5188 k = 0.4231 0.1332 0.6124 ( 13024 PWs) bands (ev): -25.8608 -25.8608 -25.8592 -25.8592 -16.5609 -16.5609 -9.5843 -9.5843 -9.5652 -9.5652 -9.3501 -9.3501 -9.3197 -9.3197 -9.2707 -9.2707 -9.2660 -9.2660 -5.3498 -5.3498 -3.9462 -3.9462 -3.9106 -3.9106 -2.0280 -2.0280 4.2556 4.2556 4.5059 4.5059 4.7781 4.7781 7.0746 7.0746 7.6972 7.6972 8.1096 8.1096 8.5402 8.5402 k = 0.4135 0.1499 0.6124 ( 13014 PWs) bands (ev): -25.8609 -25.8609 -25.8591 -25.8591 -16.5609 -16.5609 -9.5844 -9.5844 -9.5650 -9.5650 -9.3506 -9.3506 -9.3191 -9.3191 -9.2709 -9.2709 -9.2661 -9.2661 -5.3499 -5.3499 -3.9469 -3.9469 -3.9099 -3.9099 -2.0280 -2.0280 4.2523 4.2523 4.5008 4.5008 4.7916 4.7916 7.0376 7.0376 7.7081 7.7081 8.1629 8.1629 8.5640 8.5640 k = 0.4038 0.1665 0.6124 ( 13019 PWs) bands (ev): -25.8609 -25.8609 -25.8591 -25.8591 -16.5609 -16.5609 -9.5845 -9.5845 -9.5649 -9.5649 -9.3510 -9.3510 -9.3185 -9.3185 -9.2709 -9.2709 -9.2661 -9.2661 -5.3499 -5.3499 -3.9476 -3.9476 -3.9093 -3.9093 -2.0279 -2.0279 4.2496 4.2496 4.4967 4.4967 4.8026 4.8026 7.0082 7.0082 7.7170 7.7170 8.2087 8.2087 8.5880 8.5880 k = 0.3942 0.1832 0.6124 ( 13027 PWs) bands (ev): -25.8609 -25.8609 -25.8590 -25.8590 -16.5609 -16.5609 -9.5846 -9.5846 -9.5648 -9.5648 -9.3513 -9.3513 -9.3181 -9.3181 -9.2710 -9.2710 -9.2662 -9.2662 -5.3499 -5.3499 -3.9480 -3.9480 -3.9089 -3.9089 -2.0279 -2.0279 4.2477 4.2477 4.4937 4.4937 4.8108 4.8108 6.9868 6.9868 7.7234 7.7234 8.2445 8.2445 8.6078 8.6078 k = 0.3846 0.1999 0.6124 ( 13017 PWs) bands (ev): -25.8609 -25.8609 -25.8590 -25.8590 -16.5609 -16.5609 -9.5846 -9.5846 -9.5647 -9.5647 -9.3515 -9.3515 -9.3179 -9.3179 -9.2710 -9.2710 -9.2662 -9.2662 -5.3500 -5.3500 -3.9483 -3.9483 -3.9086 -3.9086 -2.0279 -2.0279 4.2465 4.2465 4.4919 4.4919 4.8159 4.8159 6.9738 6.9738 7.7274 7.7274 8.2676 8.2676 8.6108 8.6108 k = 0.3750 0.2165 0.6124 ( 12984 PWs) bands (ev): -25.8609 -25.8609 -25.8590 -25.8590 -16.5609 -16.5609 -9.5846 -9.5846 -9.5647 -9.5647 -9.3516 -9.3516 -9.3178 -9.3178 -9.2711 -9.2711 -9.2662 -9.2662 -5.3500 -5.3500 -3.9484 -3.9484 -3.9085 -3.9085 -2.0279 -2.0279 4.2461 4.2461 4.4912 4.4912 4.8176 4.8176 6.9694 6.9694 7.7287 7.7287 8.2756 8.2756 8.6090 8.6090 k = 0.3750 0.2165 0.6124 ( 12984 PWs) bands (ev): -25.8609 -25.8609 -25.8590 -25.8590 -16.5609 -16.5609 -9.5846 -9.5846 -9.5647 -9.5647 -9.3516 -9.3516 -9.3178 -9.3178 -9.2711 -9.2711 -9.2662 -9.2662 -5.3500 -5.3500 -3.9484 -3.9484 -3.9085 -3.9085 -2.0279 -2.0279 4.2461 4.2461 4.4912 4.4912 4.8176 4.8176 6.9694 6.9694 7.7287 7.7287 8.2756 8.2756 8.6090 8.6090 k = 0.3654 0.2110 0.5967 ( 13012 PWs) bands (ev): -25.8607 -25.8607 -25.8592 -25.8592 -16.5609 -16.5609 -9.5833 -9.5833 -9.5653 -9.5653 -9.3495 -9.3495 -9.3186 -9.3186 -9.2710 -9.2710 -9.2683 -9.2683 -5.3500 -5.3500 -3.9483 -3.9483 -3.9096 -3.9096 -2.0239 -2.0239 4.2372 4.2372 4.4720 4.4720 4.7951 4.7951 7.0480 7.0480 7.7630 7.7630 8.2409 8.2409 8.5556 8.5556 k = 0.3558 0.2054 0.5810 ( 13012 PWs) bands (ev): -25.8605 -25.8605 -25.8594 -25.8594 -16.5608 -16.5608 -9.5821 -9.5821 -9.5658 -9.5658 -9.3473 -9.3473 -9.3193 -9.3193 -9.2713 -9.2713 -9.2700 -9.2700 -5.3501 -5.3501 -3.9485 -3.9485 -3.9105 -3.9105 -2.0200 -2.0200 4.2221 4.2221 4.4611 4.4611 4.7742 4.7742 7.1279 7.1279 7.7921 7.7921 8.2069 8.2069 8.4933 8.4933 k = 0.3462 0.1999 0.5653 ( 13018 PWs) bands (ev): -25.8603 -25.8603 -25.8597 -25.8597 -16.5608 -16.5608 -9.5810 -9.5810 -9.5662 -9.5662 -9.3452 -9.3452 -9.3199 -9.3199 -9.2732 -9.2732 -9.2703 -9.2703 -5.3502 -5.3502 -3.9490 -3.9490 -3.9110 -3.9110 -2.0162 -2.0162 4.2015 4.2015 4.4581 4.4581 4.7552 4.7552 7.2089 7.2089 7.8151 7.8151 8.1738 8.1738 8.4244 8.4244 k = 0.3365 0.1943 0.5496 ( 13014 PWs) bands (ev): -25.8601 -25.8601 -25.8599 -25.8599 -16.5608 -16.5608 -9.5800 -9.5800 -9.5664 -9.5664 -9.3431 -9.3431 -9.3204 -9.3204 -9.2755 -9.2755 -9.2702 -9.2702 -5.3503 -5.3503 -3.9497 -3.9497 -3.9113 -3.9113 -2.0127 -2.0127 4.1772 4.1772 4.4612 4.4612 4.7385 4.7385 7.2902 7.2902 7.8313 7.8313 8.1417 8.1417 8.3514 8.3514 k = 0.3269 0.1887 0.5339 ( 13022 PWs) bands (ev): -25.8602 -25.8602 -25.8598 -25.8598 -16.5607 -16.5607 -9.5794 -9.5794 -9.5663 -9.5663 -9.3412 -9.3412 -9.3207 -9.3207 -9.2780 -9.2780 -9.2701 -9.2701 -5.3504 -5.3504 -3.9507 -3.9507 -3.9112 -3.9112 -2.0096 -2.0096 4.1511 4.1511 4.4686 4.4686 4.7244 4.7244 7.3711 7.3711 7.8408 7.8408 8.1105 8.1105 8.2762 8.2762 k = 0.3173 0.1832 0.5182 ( 13032 PWs) bands (ev): -25.8604 -25.8604 -25.8596 -25.8596 -16.5607 -16.5607 -9.5790 -9.5790 -9.5659 -9.5659 -9.3395 -9.3395 -9.3206 -9.3206 -9.2805 -9.2805 -9.2699 -9.2699 -5.3505 -5.3505 -3.9519 -3.9519 -3.9109 -3.9109 -2.0069 -2.0069 4.1249 4.1249 4.4785 4.4785 4.7135 4.7135 7.4504 7.4504 7.8443 7.8443 8.0804 8.0804 8.2006 8.2006 k = 0.3077 0.1776 0.5025 ( 13034 PWs) bands (ev): -25.8607 -25.8607 -25.8593 -25.8593 -16.5606 -16.5606 -9.5790 -9.5790 -9.5651 -9.5651 -9.3381 -9.3381 -9.3201 -9.3201 -9.2830 -9.2830 -9.2697 -9.2697 -5.3507 -5.3507 -3.9531 -3.9531 -3.9104 -3.9104 -2.0047 -2.0047 4.0997 4.0997 4.4896 4.4896 4.7063 4.7063 7.5257 7.5257 7.8435 7.8435 8.0511 8.0511 8.1261 8.1261 k = 0.2981 0.1721 0.4868 ( 13032 PWs) bands (ev): -25.8610 -25.8610 -25.8591 -25.8591 -16.5606 -16.5606 -9.5792 -9.5792 -9.5641 -9.5641 -9.3372 -9.3372 -9.3192 -9.3192 -9.2855 -9.2855 -9.2696 -9.2696 -5.3508 -5.3508 -3.9544 -3.9544 -3.9098 -3.9098 -2.0031 -2.0031 4.0764 4.0764 4.5006 4.5006 4.7033 4.7033 7.5923 7.5923 7.8422 7.8422 8.0221 8.0221 8.0553 8.0553 k = 0.2885 0.1665 0.4711 ( 13032 PWs) bands (ev): -25.8613 -25.8613 -25.8588 -25.8588 -16.5605 -16.5605 -9.5797 -9.5797 -9.5628 -9.5628 -9.3366 -9.3366 -9.3178 -9.3178 -9.2881 -9.2881 -9.2694 -9.2694 -5.3509 -5.3509 -3.9557 -3.9557 -3.9090 -3.9090 -2.0022 -2.0022 4.0556 4.0556 4.5107 4.5107 4.7051 4.7051 7.6415 7.6415 7.8470 7.8470 7.9826 7.9826 8.0018 8.0018 k = 0.2788 0.1610 0.4554 ( 13040 PWs) bands (ev): -25.8615 -25.8615 -25.8585 -25.8585 -16.5604 -16.5604 -9.5804 -9.5804 -9.5613 -9.5613 -9.3364 -9.3364 -9.3159 -9.3159 -9.2907 -9.2907 -9.2693 -9.2693 -5.3511 -5.3511 -3.9568 -3.9568 -3.9083 -3.9083 -2.0020 -2.0020 4.0376 4.0376 4.5194 4.5194 4.7117 4.7117 7.6625 7.6625 7.8546 7.8546 7.9390 7.9390 7.9735 7.9735 k = 0.2692 0.1554 0.4397 ( 13040 PWs) bands (ev): -25.8618 -25.8618 -25.8583 -25.8583 -16.5603 -16.5603 -9.5811 -9.5811 -9.5598 -9.5598 -9.3364 -9.3364 -9.3138 -9.3138 -9.2932 -9.2932 -9.2691 -9.2691 -5.3512 -5.3512 -3.9579 -3.9579 -3.9075 -3.9075 -2.0026 -2.0026 4.0229 4.0229 4.5268 4.5268 4.7230 4.7230 7.6561 7.6561 7.8237 7.8237 7.9462 7.9462 7.9564 7.9564 k = 0.2596 0.1499 0.4240 ( 13036 PWs) bands (ev): -25.8621 -25.8621 -25.8580 -25.8580 -16.5603 -16.5603 -9.5820 -9.5820 -9.5582 -9.5582 -9.3365 -9.3365 -9.3115 -9.3115 -9.2958 -9.2958 -9.2689 -9.2689 -5.3513 -5.3513 -3.9587 -3.9587 -3.9067 -3.9067 -2.0041 -2.0041 4.0118 4.0118 4.5331 4.5331 4.7384 4.7384 7.6326 7.6326 7.7709 7.7709 7.9246 7.9246 8.0026 8.0026 k = 0.2500 0.1443 0.4082 ( 13024 PWs) bands (ev): -25.8624 -25.8624 -25.8577 -25.8577 -16.5602 -16.5602 -9.5828 -9.5828 -9.5565 -9.5565 -9.3368 -9.3368 -9.3090 -9.3090 -9.2983 -9.2983 -9.2688 -9.2688 -5.3514 -5.3514 -3.9593 -3.9593 -3.9060 -3.9060 -2.0064 -2.0064 4.0044 4.0044 4.5390 4.5390 4.7569 4.7569 7.5995 7.5995 7.7175 7.7175 7.9025 7.9025 8.0543 8.0543 k = 0.2404 0.1388 0.3925 ( 13024 PWs) bands (ev): -25.8627 -25.8627 -25.8574 -25.8574 -16.5601 -16.5601 -9.5837 -9.5837 -9.5549 -9.5549 -9.3371 -9.3371 -9.3065 -9.3065 -9.3008 -9.3008 -9.2687 -9.2687 -5.3514 -5.3514 -3.9596 -3.9596 -3.9053 -3.9053 -2.0097 -2.0097 4.0009 4.0009 4.5451 4.5451 4.7777 4.7777 7.5608 7.5608 7.6674 7.6674 7.8816 7.8816 8.1015 8.1015 k = 0.2308 0.1332 0.3768 ( 13036 PWs) bands (ev): -25.8630 -25.8630 -25.8572 -25.8572 -16.5600 -16.5600 -9.5846 -9.5846 -9.5533 -9.5533 -9.3374 -9.3374 -9.3040 -9.3040 -9.3031 -9.3031 -9.2685 -9.2685 -5.3515 -5.3515 -3.9596 -3.9596 -3.9048 -3.9048 -2.0140 -2.0140 4.0015 4.0015 4.5520 4.5520 4.8001 4.8001 7.5185 7.5185 7.6215 7.6215 7.8618 7.8618 8.1400 8.1400 k = 0.2212 0.1277 0.3611 ( 13030 PWs) bands (ev): -25.8633 -25.8633 -25.8569 -25.8569 -16.5599 -16.5599 -9.5855 -9.5855 -9.5517 -9.5517 -9.3376 -9.3376 -9.3056 -9.3056 -9.3012 -9.3012 -9.2684 -9.2684 -5.3515 -5.3515 -3.9593 -3.9593 -3.9043 -3.9043 -2.0192 -2.0192 4.0062 4.0062 4.5600 4.5600 4.8235 4.8235 7.4738 7.4738 7.5802 7.5802 7.8431 7.8431 8.1671 8.1671 k = 0.2115 0.1221 0.3454 ( 13030 PWs) bands (ev): -25.8636 -25.8636 -25.8566 -25.8566 -16.5597 -16.5597 -9.5864 -9.5864 -9.5502 -9.5502 -9.3378 -9.3378 -9.3079 -9.3079 -9.2986 -9.2986 -9.2683 -9.2683 -5.3514 -5.3514 -3.9586 -3.9586 -3.9039 -3.9039 -2.0254 -2.0254 4.0151 4.0151 4.5695 4.5695 4.8472 4.8472 7.4274 7.4274 7.5439 7.5439 7.8255 7.8255 8.1811 8.1811 k = 0.2019 0.1166 0.3297 ( 13026 PWs) bands (ev): -25.8639 -25.8639 -25.8564 -25.8564 -16.5596 -16.5596 -9.5873 -9.5873 -9.5487 -9.5487 -9.3380 -9.3380 -9.3102 -9.3102 -9.2961 -9.2961 -9.2681 -9.2681 -5.3514 -5.3514 -3.9577 -3.9577 -3.9036 -3.9036 -2.0325 -2.0325 4.0282 4.0282 4.5807 4.5807 4.8710 4.8710 7.3798 7.3798 7.5131 7.5131 7.8091 7.8091 8.1810 8.1810 k = 0.1923 0.1110 0.3140 ( 13045 PWs) bands (ev): -25.8641 -25.8641 -25.8561 -25.8561 -16.5595 -16.5595 -9.5881 -9.5881 -9.5473 -9.5473 -9.3382 -9.3382 -9.3124 -9.3124 -9.2936 -9.2936 -9.2680 -9.2680 -5.3512 -5.3512 -3.9564 -3.9564 -3.9034 -3.9034 -2.0404 -2.0404 4.0456 4.0456 4.5936 4.5936 4.8943 4.8943 7.3310 7.3310 7.4878 7.4878 7.7937 7.7937 8.1652 8.1652 k = 0.1827 0.1055 0.2983 ( 13051 PWs) bands (ev): -25.8644 -25.8644 -25.8558 -25.8558 -16.5594 -16.5594 -9.5889 -9.5889 -9.5460 -9.5460 -9.3382 -9.3382 -9.3145 -9.3145 -9.2912 -9.2912 -9.2679 -9.2679 -5.3511 -5.3511 -3.9547 -3.9547 -3.9032 -3.9032 -2.0493 -2.0493 4.0670 4.0670 4.6085 4.6085 4.9170 4.9170 7.2813 7.2813 7.4683 7.4683 7.7793 7.7793 8.1245 8.1246 k = 0.1731 0.0999 0.2826 ( 13055 PWs) bands (ev): -25.8647 -25.8647 -25.8556 -25.8556 -16.5593 -16.5593 -9.5897 -9.5897 -9.5447 -9.5447 -9.3382 -9.3382 -9.3165 -9.3165 -9.2889 -9.2889 -9.2678 -9.2678 -5.3509 -5.3509 -3.9528 -3.9528 -3.9032 -3.9032 -2.0588 -2.0588 4.0926 4.0926 4.6252 4.6252 4.9387 4.9387 7.2307 7.2307 7.4544 7.4544 7.7660 7.7660 8.0512 8.0512 k = 0.1635 0.0944 0.2669 ( 13063 PWs) bands (ev): -25.8650 -25.8650 -25.8554 -25.8554 -16.5591 -16.5591 -9.5905 -9.5905 -9.5435 -9.5435 -9.3382 -9.3382 -9.3184 -9.3184 -9.2866 -9.2866 -9.2677 -9.2677 -5.3506 -5.3506 -3.9505 -3.9505 -3.9033 -3.9033 -2.0691 -2.0691 4.1220 4.1220 4.6439 4.6439 4.9595 4.9595 7.1792 7.1792 7.4461 7.4461 7.7535 7.7535 7.9655 7.9655 k = 0.1538 0.0888 0.2512 ( 13059 PWs) bands (ev): -25.8652 -25.8652 -25.8551 -25.8551 -16.5590 -16.5590 -9.5912 -9.5912 -9.5424 -9.5424 -9.3381 -9.3381 -9.3203 -9.3203 -9.2845 -9.2845 -9.2677 -9.2677 -5.3504 -5.3504 -3.9479 -3.9479 -3.9035 -3.9035 -2.0799 -2.0799 4.1551 4.1551 4.6644 4.6644 4.9792 4.9792 7.1264 7.1264 7.4431 7.4431 7.7418 7.7418 7.8765 7.8765 k = 0.1442 0.0833 0.2355 ( 13049 PWs) bands (ev): -25.8654 -25.8654 -25.8549 -25.8549 -16.5589 -16.5589 -9.5918 -9.5918 -9.5414 -9.5414 -9.3379 -9.3379 -9.3220 -9.3220 -9.2824 -9.2824 -9.2676 -9.2676 -5.3501 -5.3501 -3.9451 -3.9451 -3.9037 -3.9037 -2.0912 -2.0912 4.1917 4.1917 4.6869 4.6869 4.9978 4.9978 7.0722 7.0722 7.4451 7.4451 7.7304 7.7304 7.7871 7.7871 k = 0.1346 0.0777 0.2198 ( 13051 PWs) bands (ev): -25.8657 -25.8657 -25.8547 -25.8547 -16.5588 -16.5588 -9.5925 -9.5925 -9.5404 -9.5404 -9.3378 -9.3378 -9.3236 -9.3236 -9.2805 -9.2805 -9.2675 -9.2675 -5.3497 -5.3497 -3.9421 -3.9421 -3.9039 -3.9039 -2.1027 -2.1027 4.2313 4.2313 4.7112 4.7112 5.0152 5.0152 7.0159 7.0159 7.4517 7.4517 7.6931 7.6931 7.7251 7.7251 k = 0.1250 0.0722 0.2041 ( 13017 PWs) bands (ev): -25.8659 -25.8659 -25.8545 -25.8545 -16.5587 -16.5587 -9.5931 -9.5931 -9.5395 -9.5395 -9.3375 -9.3375 -9.3252 -9.3252 -9.2787 -9.2787 -9.2675 -9.2675 -5.3494 -5.3494 -3.9389 -3.9389 -3.9043 -3.9043 -2.1145 -2.1145 4.2734 4.2734 4.7374 4.7374 5.0317 5.0317 6.9569 6.9569 7.4623 7.4623 7.6079 7.6079 7.7139 7.7139 k = 0.1154 0.0666 0.1884 ( 13061 PWs) bands (ev): -25.8661 -25.8661 -25.8543 -25.8543 -16.5586 -16.5586 -9.5936 -9.5936 -9.5387 -9.5387 -9.3373 -9.3373 -9.3266 -9.3266 -9.2770 -9.2770 -9.2674 -9.2674 -5.3490 -5.3490 -3.9356 -3.9356 -3.9046 -3.9046 -2.1263 -2.1263 4.3175 4.3175 4.7655 4.7655 5.0472 5.0472 6.8945 6.8945 7.4765 7.4765 7.5248 7.5248 7.7008 7.7008 k = 0.1058 0.0611 0.1727 ( 13073 PWs) bands (ev): -25.8663 -25.8663 -25.8542 -25.8542 -16.5585 -16.5585 -9.5941 -9.5941 -9.5380 -9.5380 -9.3370 -9.3370 -9.3279 -9.3279 -9.2755 -9.2755 -9.2674 -9.2674 -5.3486 -5.3486 -3.9322 -3.9322 -3.9050 -3.9050 -2.1379 -2.1379 4.3628 4.3628 4.7956 4.7956 5.0619 5.0619 6.8282 6.8282 7.4472 7.4472 7.4936 7.4936 7.6216 7.6217 k = 0.0962 0.0555 0.1570 ( 13077 PWs) bands (ev): -25.8665 -25.8665 -25.8540 -25.8540 -16.5584 -16.5584 -9.5945 -9.5945 -9.5373 -9.5373 -9.3367 -9.3367 -9.3291 -9.3291 -9.2741 -9.2741 -9.2674 -9.2674 -5.3483 -5.3483 -3.9288 -3.9288 -3.9054 -3.9054 -2.1492 -2.1492 4.4083 4.4083 4.8278 4.8278 5.0760 5.0760 6.7574 6.7574 7.3766 7.3766 7.5128 7.5128 7.5363 7.5363 k = 0.0865 0.0500 0.1413 ( 13063 PWs) bands (ev): -25.8666 -25.8666 -25.8538 -25.8538 -16.5583 -16.5583 -9.5949 -9.5949 -9.5367 -9.5367 -9.3364 -9.3364 -9.3302 -9.3302 -9.2728 -9.2728 -9.2674 -9.2674 -5.3479 -5.3479 -3.9255 -3.9255 -3.9058 -3.9058 -2.1601 -2.1601 4.4531 4.4531 4.8625 4.8625 5.0895 5.0895 6.6826 6.6826 7.3139 7.3139 7.4560 7.4560 7.5336 7.5336 k = 0.0769 0.0444 0.1256 ( 13065 PWs) bands (ev): -25.8668 -25.8668 -25.8537 -25.8537 -16.5582 -16.5582 -9.5953 -9.5953 -9.5362 -9.5362 -9.3362 -9.3362 -9.3312 -9.3312 -9.2717 -9.2717 -9.2673 -9.2673 -5.3476 -5.3476 -3.9223 -3.9223 -3.9062 -3.9062 -2.1703 -2.1703 4.4958 4.4958 4.8996 4.8996 5.1026 5.1026 6.6045 6.6045 7.2595 7.2595 7.3817 7.3817 7.5550 7.5550 k = 0.0673 0.0389 0.1099 ( 13075 PWs) bands (ev): -25.8669 -25.8669 -25.8536 -25.8536 -16.5581 -16.5581 -9.5956 -9.5956 -9.5358 -9.5358 -9.3359 -9.3359 -9.3320 -9.3320 -9.2707 -9.2707 -9.2673 -9.2673 -5.3472 -5.3472 -3.9193 -3.9193 -3.9066 -3.9066 -2.1798 -2.1798 4.5354 4.5354 4.9393 4.9393 5.1150 5.1150 6.5247 6.5247 7.2132 7.2132 7.3141 7.3141 7.5762 7.5762 k = 0.0577 0.0333 0.0942 ( 13095 PWs) bands (ev): -25.8670 -25.8670 -25.8535 -25.8535 -16.5580 -16.5580 -9.5959 -9.5959 -9.5354 -9.5354 -9.3357 -9.3357 -9.3328 -9.3328 -9.2698 -9.2698 -9.2673 -9.2673 -5.3469 -5.3469 -3.9165 -3.9165 -3.9069 -3.9069 -2.1883 -2.1883 4.5706 4.5706 4.9811 4.9811 5.1268 5.1268 6.4451 6.4451 7.1747 7.1747 7.2536 7.2536 7.5966 7.5966 k = 0.0481 0.0278 0.0785 ( 13103 PWs) bands (ev): -25.8671 -25.8671 -25.8534 -25.8534 -16.5580 -16.5580 -9.5961 -9.5961 -9.5350 -9.5350 -9.3354 -9.3354 -9.3334 -9.3334 -9.2690 -9.2690 -9.2673 -9.2673 -5.3467 -5.3467 -3.9140 -3.9140 -3.9073 -3.9073 -2.1958 -2.1958 4.6008 4.6008 5.0241 5.0241 5.1376 5.1376 6.3683 6.3683 7.1433 7.1433 7.2011 7.2011 7.6154 7.6154 k = 0.0385 0.0222 0.0628 ( 13107 PWs) bands (ev): -25.8672 -25.8672 -25.8533 -25.8533 -16.5579 -16.5579 -9.5963 -9.5963 -9.5348 -9.5348 -9.3352 -9.3352 -9.3340 -9.3340 -9.2684 -9.2684 -9.2673 -9.2673 -5.3464 -5.3464 -3.9119 -3.9119 -3.9075 -3.9075 -2.2021 -2.2021 4.6254 4.6254 5.0664 5.0664 5.1473 5.1473 6.2973 6.2973 7.1185 7.1185 7.1571 7.1571 7.6318 7.6318 k = 0.0288 0.0167 0.0471 ( 13093 PWs) bands (ev): -25.8673 -25.8673 -25.8533 -25.8533 -16.5579 -16.5579 -9.5965 -9.5965 -9.5346 -9.5346 -9.3351 -9.3351 -9.3344 -9.3344 -9.2680 -9.2680 -9.2673 -9.2673 -5.3463 -5.3463 -3.9103 -3.9103 -3.9077 -3.9077 -2.2071 -2.2071 4.6443 4.6443 5.1054 5.1054 5.1553 5.1553 6.2355 6.2355 7.0997 7.0997 7.1221 7.1221 7.6452 7.6452 k = 0.0192 0.0111 0.0314 ( 13077 PWs) bands (ev): -25.8673 -25.8673 -25.8532 -25.8532 -16.5578 -16.5578 -9.5966 -9.5966 -9.5344 -9.5344 -9.3350 -9.3350 -9.3346 -9.3346 -9.2676 -9.2676 -9.2673 -9.2673 -5.3461 -5.3461 -3.9090 -3.9090 -3.9079 -3.9079 -2.2108 -2.2108 4.6577 4.6577 5.1375 5.1375 5.1614 5.1614 6.1869 6.1869 7.0865 7.0865 7.0967 7.0967 7.6551 7.6551 k = 0.0096 0.0056 0.0157 ( 13099 PWs) bands (ev): -25.8674 -25.8674 -25.8532 -25.8532 -16.5578 -16.5578 -9.5966 -9.5966 -9.5344 -9.5344 -9.3349 -9.3349 -9.3348 -9.3348 -9.2674 -9.2674 -9.2674 -9.2674 -5.3461 -5.3461 -3.9083 -3.9083 -3.9080 -3.9080 -2.2130 -2.2130 4.6656 4.6656 5.1589 5.1589 5.1651 5.1651 6.1556 6.1556 7.0787 7.0787 7.0813 7.0813 7.6610 7.6610 k = 0.0000 0.0000 0.0000 ( 13107 PWs) bands (ev): -25.8674 -25.8674 -25.8532 -25.8532 -16.5578 -16.5578 -9.5967 -9.5967 -9.5343 -9.5343 -9.3349 -9.3349 -9.3349 -9.3349 -9.2674 -9.2674 -9.2674 -9.2674 -5.3460 -5.3460 -3.9080 -3.9080 -3.9080 -3.9080 -2.2137 -2.2137 4.6682 4.6682 5.1664 5.1664 5.1664 5.1664 6.1447 6.1447 7.0761 7.0761 7.0761 7.0761 7.6625 7.6625 k = 0.0000 0.0000 0.0000 ( 13107 PWs) bands (ev): -25.8674 -25.8674 -25.8532 -25.8532 -16.5578 -16.5578 -9.5967 -9.5967 -9.5343 -9.5343 -9.3349 -9.3349 -9.3349 -9.3349 -9.2674 -9.2674 -9.2674 -9.2674 -5.3460 -5.3460 -3.9080 -3.9080 -3.9080 -3.9080 -2.2137 -2.2137 4.6682 4.6682 5.1664 5.1664 5.1664 5.1664 6.1447 6.1447 7.0761 7.0761 7.0761 7.0761 7.6625 7.6625 k = 0.0156 0.0090 0.0064 ( 13092 PWs) bands (ev): -25.8674 -25.8674 -25.8532 -25.8532 -16.5578 -16.5578 -9.5966 -9.5966 -9.5344 -9.5344 -9.3349 -9.3349 -9.3348 -9.3348 -9.2674 -9.2674 -9.2674 -9.2674 -5.3461 -5.3461 -3.9083 -3.9083 -3.9080 -3.9080 -2.2130 -2.2130 4.6657 4.6657 5.1594 5.1594 5.1647 5.1647 6.1555 6.1555 7.0797 7.0797 7.0802 7.0802 7.6614 7.6614 k = 0.0312 0.0180 0.0128 ( 13083 PWs) bands (ev): -25.8673 -25.8673 -25.8532 -25.8532 -16.5578 -16.5578 -9.5966 -9.5966 -9.5344 -9.5344 -9.3349 -9.3349 -9.3347 -9.3347 -9.2675 -9.2675 -9.2674 -9.2674 -5.3461 -5.3461 -3.9090 -3.9090 -3.9079 -3.9079 -2.2108 -2.2108 4.6579 4.6579 5.1394 5.1394 5.1595 5.1595 6.1868 6.1868 7.0905 7.0905 7.0923 7.0923 7.6569 7.6569 k = 0.0469 0.0271 0.0191 ( 13104 PWs) bands (ev): -25.8673 -25.8673 -25.8533 -25.8533 -16.5579 -16.5579 -9.5965 -9.5965 -9.5346 -9.5346 -9.3349 -9.3349 -9.3346 -9.3346 -9.2678 -9.2678 -9.2675 -9.2675 -5.3463 -5.3463 -3.9102 -3.9102 -3.9077 -3.9077 -2.2072 -2.2072 4.6449 4.6449 5.1092 5.1092 5.1510 5.1510 6.2358 6.2358 7.1083 7.1083 7.1123 7.1123 7.6494 7.6494 k = 0.0625 0.0361 0.0255 ( 13110 PWs) bands (ev): -25.8672 -25.8672 -25.8533 -25.8533 -16.5579 -16.5579 -9.5963 -9.5963 -9.5348 -9.5348 -9.3348 -9.3348 -9.3344 -9.3344 -9.2681 -9.2681 -9.2677 -9.2677 -5.3464 -5.3464 -3.9119 -3.9119 -3.9075 -3.9075 -2.2022 -2.2022 4.6267 4.6267 5.0721 5.0721 5.1395 5.1395 6.2993 6.2993 7.1330 7.1330 7.1400 7.1400 7.6395 7.6395 k = 0.0781 0.0451 0.0319 ( 13098 PWs) bands (ev): -25.8671 -25.8671 -25.8534 -25.8534 -16.5580 -16.5580 -9.5961 -9.5961 -9.5350 -9.5350 -9.3348 -9.3348 -9.3341 -9.3341 -9.2685 -9.2685 -9.2678 -9.2678 -5.3467 -5.3467 -3.9140 -3.9140 -3.9072 -3.9072 -2.1959 -2.1959 4.6034 4.6034 5.0312 5.0312 5.1253 5.1253 6.3739 6.3739 7.1644 7.1644 7.1749 7.1749 7.6277 7.6277 k = 0.0938 0.0541 0.0383 ( 13083 PWs) bands (ev): -25.8670 -25.8670 -25.8535 -25.8535 -16.5580 -16.5580 -9.5959 -9.5959 -9.5354 -9.5354 -9.3347 -9.3347 -9.3337 -9.3337 -9.2690 -9.2690 -9.2681 -9.2681 -5.3469 -5.3469 -3.9165 -3.9165 -3.9069 -3.9069 -2.1885 -2.1885 4.5752 4.5752 4.9890 4.9890 5.1087 5.1087 6.4568 6.4568 7.2021 7.2021 7.2166 7.2166 7.6149 7.6149 k = 0.1094 0.0631 0.0447 ( 13089 PWs) bands (ev): -25.8669 -25.8669 -25.8536 -25.8536 -16.5581 -16.5581 -9.5956 -9.5956 -9.5358 -9.5358 -9.3346 -9.3346 -9.3333 -9.3333 -9.2696 -9.2696 -9.2684 -9.2684 -5.3472 -5.3472 -3.9194 -3.9194 -3.9065 -3.9065 -2.1799 -2.1799 4.5423 4.5423 4.9474 4.9474 5.0902 5.0902 6.5456 6.5456 7.2459 7.2459 7.2647 7.2647 7.6021 7.6021 k = 0.1250 0.0722 0.0510 ( 13074 PWs) bands (ev): -25.8668 -25.8668 -25.8537 -25.8537 -16.5582 -16.5582 -9.5953 -9.5953 -9.5362 -9.5362 -9.3345 -9.3345 -9.3328 -9.3328 -9.2703 -9.2703 -9.2688 -9.2688 -5.3475 -5.3475 -3.9225 -3.9225 -3.9060 -3.9060 -2.1704 -2.1704 4.5054 4.5054 4.9075 4.9075 5.0700 5.0700 6.6383 6.6383 7.2955 7.2955 7.3187 7.3187 7.5904 7.5904 k = 0.1406 0.0812 0.0574 ( 13050 PWs) bands (ev): -25.8666 -25.8666 -25.8538 -25.8538 -16.5583 -16.5583 -9.5949 -9.5949 -9.5367 -9.5367 -9.3344 -9.3344 -9.3323 -9.3323 -9.2711 -9.2711 -9.2692 -9.2692 -5.3479 -5.3479 -3.9258 -3.9258 -3.9055 -3.9055 -2.1600 -2.1600 4.4651 4.4651 4.8699 4.8699 5.0487 5.0487 6.7329 6.7329 7.3503 7.3503 7.3781 7.3781 7.5814 7.5814 k = 0.1562 0.0902 0.0638 ( 13062 PWs) bands (ev): -25.8665 -25.8665 -25.8540 -25.8540 -16.5583 -16.5583 -9.5944 -9.5944 -9.5373 -9.5373 -9.3341 -9.3341 -9.3317 -9.3317 -9.2719 -9.2719 -9.2697 -9.2697 -5.3483 -5.3483 -3.9293 -3.9293 -3.9050 -3.9050 -2.1489 -2.1489 4.4222 4.4222 4.8346 4.8346 5.0265 5.0265 6.8273 6.8273 7.4101 7.4101 7.4424 7.4424 7.5768 7.5768 k = 0.1719 0.0992 0.0702 ( 13062 PWs) bands (ev): -25.8663 -25.8663 -25.8542 -25.8542 -16.5584 -16.5584 -9.5939 -9.5939 -9.5380 -9.5380 -9.3339 -9.3339 -9.3310 -9.3310 -9.2729 -9.2729 -9.2703 -9.2703 -5.3486 -5.3486 -3.9330 -3.9330 -3.9044 -3.9044 -2.1373 -2.1373 4.3776 4.3776 4.8017 4.8017 5.0038 5.0038 6.9192 6.9192 7.4742 7.4742 7.5111 7.5111 7.5792 7.5792 k = 0.1875 0.1083 0.0765 ( 13065 PWs) bands (ev): -25.8661 -25.8661 -25.8543 -25.8543 -16.5585 -16.5585 -9.5933 -9.5933 -9.5387 -9.5387 -9.3335 -9.3335 -9.3303 -9.3303 -9.2739 -9.2739 -9.2710 -9.2710 -5.3490 -5.3490 -3.9367 -3.9367 -3.9038 -3.9038 -2.1252 -2.1252 4.3321 4.3321 4.7711 4.7711 4.9808 4.9808 7.0056 7.0056 7.5406 7.5406 7.5837 7.5837 7.5929 7.5929 k = 0.2031 0.1173 0.0829 ( 13050 PWs) bands (ev): -25.8659 -25.8659 -25.8545 -25.8545 -16.5587 -16.5587 -9.5927 -9.5927 -9.5395 -9.5395 -9.3331 -9.3331 -9.3295 -9.3295 -9.2749 -9.2749 -9.2718 -9.2718 -5.3494 -5.3494 -3.9404 -3.9404 -3.9032 -3.9032 -2.1129 -2.1129 4.2863 4.2863 4.7424 4.7424 4.9579 4.9579 7.0833 7.0833 7.5983 7.5983 7.6318 7.6318 7.6595 7.6595 k = 0.2188 0.1263 0.0893 ( 13047 PWs) bands (ev): -25.8657 -25.8657 -25.8547 -25.8547 -16.5588 -16.5588 -9.5920 -9.5920 -9.5403 -9.5403 -9.3326 -9.3326 -9.3286 -9.3286 -9.2761 -9.2761 -9.2726 -9.2726 -5.3498 -5.3498 -3.9441 -3.9441 -3.9025 -3.9025 -2.1004 -2.1004 4.2409 4.2409 4.7155 4.7155 4.9353 4.9353 7.1493 7.1493 7.6438 7.6439 7.7017 7.7017 7.7375 7.7375 k = 0.2344 0.1353 0.0957 ( 13047 PWs) bands (ev): -25.8654 -25.8654 -25.8549 -25.8549 -16.5589 -16.5589 -9.5912 -9.5912 -9.5413 -9.5413 -9.3321 -9.3321 -9.3277 -9.3277 -9.2773 -9.2773 -9.2736 -9.2736 -5.3502 -5.3502 -3.9477 -3.9477 -3.9018 -3.9018 -2.0879 -2.0879 4.1964 4.1964 4.6903 4.6903 4.9131 4.9131 7.2026 7.2026 7.6995 7.6995 7.7790 7.7790 7.8078 7.8078 k = 0.2500 0.1443 0.1021 ( 13041 PWs) bands (ev): -25.8652 -25.8652 -25.8552 -25.8552 -16.5590 -16.5590 -9.5904 -9.5904 -9.5423 -9.5423 -9.3314 -9.3314 -9.3268 -9.3268 -9.2786 -9.2786 -9.2746 -9.2746 -5.3505 -5.3505 -3.9512 -3.9512 -3.9012 -3.9012 -2.0755 -2.0755 4.1532 4.1532 4.6667 4.6667 4.8916 4.8916 7.2449 7.2449 7.7674 7.7674 7.8391 7.8391 7.8392 7.8392 k = 0.2656 0.1534 0.1084 ( 13041 PWs) bands (ev): -25.8649 -25.8649 -25.8554 -25.8554 -16.5591 -16.5591 -9.5895 -9.5895 -9.5433 -9.5433 -9.3307 -9.3307 -9.3257 -9.3257 -9.2799 -9.2799 -9.2758 -9.2758 -5.3509 -5.3509 -3.9546 -3.9546 -3.9005 -3.9005 -2.0633 -2.0633 4.1115 4.1115 4.6445 4.6445 4.8709 4.8709 7.2799 7.2799 7.8410 7.8410 7.8627 7.8627 7.8718 7.8718 k = 0.2812 0.1624 0.1148 ( 13035 PWs) bands (ev): -25.8646 -25.8646 -25.8557 -25.8557 -16.5592 -16.5592 -9.5885 -9.5885 -9.5445 -9.5445 -9.3299 -9.3299 -9.3247 -9.3247 -9.2813 -9.2813 -9.2770 -9.2770 -5.3512 -5.3512 -3.9578 -3.9578 -3.8998 -3.8998 -2.0515 -2.0515 4.0716 4.0716 4.6238 4.6238 4.8511 4.8511 7.3111 7.3111 7.8851 7.8851 7.8863 7.8863 7.9363 7.9363 k = 0.2969 0.1714 0.1212 ( 13038 PWs) bands (ev): -25.8643 -25.8643 -25.8559 -25.8559 -16.5593 -16.5593 -9.5875 -9.5875 -9.5457 -9.5457 -9.3290 -9.3290 -9.3235 -9.3235 -9.2827 -9.2827 -9.2783 -9.2783 -5.3515 -5.3515 -3.9608 -3.9608 -3.8992 -3.8992 -2.0401 -2.0401 4.0337 4.0337 4.6045 4.6045 4.8323 4.8323 7.3418 7.3418 7.9103 7.9103 7.9115 7.9115 8.0210 8.0210 k = 0.3125 0.1804 0.1276 ( 13032 PWs) bands (ev): -25.8641 -25.8641 -25.8562 -25.8562 -16.5594 -16.5594 -9.5864 -9.5864 -9.5469 -9.5469 -9.3280 -9.3280 -9.3224 -9.3224 -9.2841 -9.2841 -9.2797 -9.2797 -5.3517 -5.3517 -3.9637 -3.9637 -3.8986 -3.8986 -2.0292 -2.0292 3.9981 3.9981 4.5866 4.5866 4.8147 4.8147 7.3738 7.3738 7.9347 7.9347 7.9367 7.9367 8.1075 8.1075 k = 0.3281 0.1894 0.1340 ( 13035 PWs) bands (ev): -25.8637 -25.8637 -25.8565 -25.8565 -16.5595 -16.5595 -9.5852 -9.5852 -9.5482 -9.5482 -9.3269 -9.3269 -9.3211 -9.3211 -9.2856 -9.2856 -9.2812 -9.2812 -5.3520 -5.3520 -3.9663 -3.9663 -3.8980 -3.8980 -2.0190 -2.0190 3.9647 3.9647 4.5701 4.5701 4.7983 4.7983 7.4087 7.4087 7.9595 7.9595 7.9619 7.9619 8.1927 8.1927 k = 0.3438 0.1985 0.1403 ( 13047 PWs) bands (ev): -25.8634 -25.8634 -25.8568 -25.8568 -16.5596 -16.5596 -9.5840 -9.5840 -9.5496 -9.5496 -9.3258 -9.3258 -9.3199 -9.3199 -9.2872 -9.2872 -9.2827 -9.2827 -5.3522 -5.3522 -3.9687 -3.9687 -3.8974 -3.8974 -2.0094 -2.0094 3.9339 3.9339 4.5549 4.5549 4.7831 4.7831 7.4472 7.4472 7.9843 7.9843 7.9869 7.9869 8.2751 8.2751 k = 0.3594 0.2075 0.1467 ( 13029 PWs) bands (ev): -25.8631 -25.8631 -25.8571 -25.8571 -16.5597 -16.5597 -9.5828 -9.5828 -9.5510 -9.5510 -9.3246 -9.3246 -9.3186 -9.3186 -9.2887 -9.2887 -9.2842 -9.2842 -5.3524 -5.3524 -3.9709 -3.9709 -3.8969 -3.8969 -2.0006 -2.0006 3.9056 3.9056 4.5412 4.5412 4.7693 4.7693 7.4899 7.4899 8.0088 8.0088 8.0116 8.0116 8.3527 8.3527 k = 0.3750 0.2165 0.1531 ( 13029 PWs) bands (ev): -25.8628 -25.8628 -25.8574 -25.8574 -16.5598 -16.5598 -9.5815 -9.5815 -9.5524 -9.5524 -9.3233 -9.3233 -9.3172 -9.3172 -9.2903 -9.2903 -9.2858 -9.2858 -5.3526 -5.3526 -3.9728 -3.9728 -3.8964 -3.8964 -1.9926 -1.9926 3.8800 3.8800 4.5289 4.5289 4.7568 4.7568 7.5369 7.5369 8.0326 8.0326 8.0355 8.0355 8.4224 8.4224 k = 0.3906 0.2255 0.1595 ( 13031 PWs) bands (ev): -25.8625 -25.8625 -25.8577 -25.8577 -16.5599 -16.5599 -9.5802 -9.5802 -9.5538 -9.5538 -9.3221 -9.3221 -9.3159 -9.3159 -9.2918 -9.2918 -9.2874 -9.2874 -5.3527 -5.3527 -3.9745 -3.9745 -3.8959 -3.8959 -1.9854 -1.9854 3.8572 3.8572 4.5180 4.5180 4.7457 4.7457 7.5883 7.5883 8.0554 8.0554 8.0583 8.0583 8.4783 8.4783 k = 0.4062 0.2345 0.1659 ( 13043 PWs) bands (ev): -25.8621 -25.8621 -25.8580 -25.8580 -16.5600 -16.5600 -9.5789 -9.5789 -9.5553 -9.5553 -9.3208 -9.3208 -9.3145 -9.3145 -9.2934 -9.2934 -9.2889 -9.2889 -5.3528 -5.3528 -3.9760 -3.9760 -3.8955 -3.8955 -1.9791 -1.9791 3.8372 3.8372 4.5086 4.5086 4.7360 4.7360 7.6434 7.6434 8.0767 8.0767 8.0796 8.0796 8.5106 8.5106 k = 0.4219 0.2436 0.1722 ( 13058 PWs) bands (ev): -25.8618 -25.8618 -25.8584 -25.8584 -16.5600 -16.5600 -9.5776 -9.5776 -9.5566 -9.5566 -9.3196 -9.3196 -9.3131 -9.3131 -9.2949 -9.2949 -9.2904 -9.2904 -5.3529 -5.3529 -3.9773 -3.9773 -3.8952 -3.8952 -1.9737 -1.9737 3.8202 3.8202 4.5006 4.5006 4.7278 4.7278 7.7017 7.7017 8.0960 8.0960 8.0987 8.0987 8.5111 8.5111 k = 0.4375 0.2526 0.1786 ( 13064 PWs) bands (ev): -25.8615 -25.8615 -25.8587 -25.8587 -16.5601 -16.5601 -9.5763 -9.5763 -9.5580 -9.5580 -9.3184 -9.3184 -9.3118 -9.3118 -9.2964 -9.2964 -9.2917 -9.2917 -5.3530 -5.3530 -3.9783 -3.9783 -3.8949 -3.8949 -1.9693 -1.9693 3.8061 3.8061 4.4940 4.4940 4.7211 4.7211 7.7618 7.7618 8.1127 8.1127 8.1152 8.1152 8.4835 8.4835 k = 0.4531 0.2616 0.1850 ( 13058 PWs) bands (ev): -25.8611 -25.8611 -25.8590 -25.8590 -16.5601 -16.5601 -9.5752 -9.5752 -9.5591 -9.5591 -9.3174 -9.3174 -9.3105 -9.3105 -9.2978 -9.2978 -9.2929 -9.2929 -5.3531 -5.3531 -3.9791 -3.9791 -3.8947 -3.8947 -1.9658 -1.9658 3.7951 3.7951 4.4889 4.4889 4.7158 4.7158 7.8212 7.8212 8.1264 8.1264 8.1285 8.1285 8.4394 8.4394 k = 0.4688 0.2706 0.1914 ( 13046 PWs) bands (ev): -25.8608 -25.8608 -25.8594 -25.8594 -16.5601 -16.5601 -9.5743 -9.5743 -9.5601 -9.5601 -9.3166 -9.3166 -9.3093 -9.3093 -9.2990 -9.2990 -9.2938 -9.2938 -5.3531 -5.3531 -3.9796 -3.9796 -3.8945 -3.8945 -1.9633 -1.9633 3.7873 3.7873 4.4853 4.4853 4.7121 4.7121 7.8755 7.8755 8.1365 8.1365 8.1380 8.1380 8.3913 8.3913 k = 0.4844 0.2797 0.1977 ( 13049 PWs) bands (ev): -25.8604 -25.8604 -25.8597 -25.8597 -16.5602 -16.5602 -9.5736 -9.5736 -9.5608 -9.5608 -9.3161 -9.3161 -9.3085 -9.3085 -9.2999 -9.2999 -9.2944 -9.2944 -5.3531 -5.3531 -3.9800 -3.9800 -3.8944 -3.8944 -1.9618 -1.9618 3.7825 3.7825 4.4831 4.4831 4.7098 4.7098 7.9165 7.9165 8.1428 8.1428 8.1434 8.1434 8.3526 8.3526 k = 0.5000 0.2887 0.2041 ( 13070 PWs) bands (ev): -25.8601 -25.8601 -25.8600 -25.8600 -16.5602 -16.5602 -9.5734 -9.5734 -9.5610 -9.5610 -9.3159 -9.3159 -9.3082 -9.3082 -9.3003 -9.3003 -9.2946 -9.2946 -5.3531 -5.3531 -3.9801 -3.9801 -3.8944 -3.8944 -1.9613 -1.9613 3.7809 3.7809 4.4824 4.4824 4.7091 4.7091 7.9325 7.9325 8.1449 8.1449 8.1450 8.1450 8.3373 8.3373 k = 0.5000 0.2887 0.2041 ( 13070 PWs) bands (ev): -25.8601 -25.8601 -25.8600 -25.8600 -16.5602 -16.5602 -9.5734 -9.5734 -9.5610 -9.5610 -9.3159 -9.3159 -9.3082 -9.3082 -9.3003 -9.3003 -9.2946 -9.2946 -5.3531 -5.3531 -3.9801 -3.9801 -3.8944 -3.8944 -1.9613 -1.9613 3.7809 3.7809 4.4824 4.4824 4.7091 4.7091 7.9325 7.9325 8.1449 8.1449 8.1450 8.1450 8.3373 8.3373 k = 0.5054 0.2730 0.2130 ( 13040 PWs) bands (ev): -25.8601 -25.8601 -25.8600 -25.8600 -16.5602 -16.5602 -9.5734 -9.5734 -9.5611 -9.5611 -9.3162 -9.3162 -9.3083 -9.3083 -9.2999 -9.2999 -9.2944 -9.2944 -5.3531 -5.3531 -3.9799 -3.9799 -3.8944 -3.8944 -1.9616 -1.9616 3.7825 3.7825 4.4825 4.4825 4.7091 4.7091 7.9238 7.9238 8.1442 8.1442 8.1544 8.1544 8.3313 8.3313 k = 0.5109 0.2573 0.2219 ( 13040 PWs) bands (ev): -25.8601 -25.8601 -25.8600 -25.8600 -16.5602 -16.5602 -9.5735 -9.5735 -9.5612 -9.5612 -9.3171 -9.3171 -9.3088 -9.3088 -9.2990 -9.2990 -9.2938 -9.2938 -5.3531 -5.3531 -3.9795 -3.9795 -3.8947 -3.8947 -1.9623 -1.9623 3.7870 3.7870 4.4829 4.4829 4.7091 4.7091 7.9015 7.9015 8.1420 8.1420 8.1780 8.1780 8.3155 8.3155 k = 0.5163 0.2416 0.2307 ( 13040 PWs) bands (ev): -25.8601 -25.8601 -25.8600 -25.8600 -16.5602 -16.5602 -9.5736 -9.5736 -9.5613 -9.5613 -9.3184 -9.3184 -9.3094 -9.3094 -9.2977 -9.2977 -9.2929 -9.2929 -5.3530 -5.3530 -3.9789 -3.9789 -3.8950 -3.8950 -1.9634 -1.9634 3.7945 3.7945 4.4836 4.4836 4.7092 4.7092 7.8720 7.8720 8.1386 8.1386 8.2032 8.2032 8.2990 8.2990 k = 0.5217 0.2259 0.2396 ( 13041 PWs) bands (ev): -25.8601 -25.8601 -25.8600 -25.8600 -16.5602 -16.5602 -9.5738 -9.5738 -9.5615 -9.5615 -9.3200 -9.3200 -9.3103 -9.3103 -9.2961 -9.2961 -9.2918 -9.2918 -5.3529 -5.3529 -3.9780 -3.9780 -3.8956 -3.8956 -1.9650 -1.9650 3.8050 3.8050 4.4844 4.4844 4.7094 4.7094 7.8393 7.8393 8.1338 8.1338 8.2074 8.2074 8.3037 8.3037 k = 0.5272 0.2102 0.2485 ( 13043 PWs) bands (ev): -25.8601 -25.8601 -25.8600 -25.8600 -16.5602 -16.5602 -9.5740 -9.5740 -9.5618 -9.5618 -9.3217 -9.3217 -9.3112 -9.3112 -9.2944 -9.2944 -9.2905 -9.2905 -5.3528 -5.3528 -3.9768 -3.9768 -3.8962 -3.8962 -1.9670 -1.9670 3.8183 3.8183 4.4854 4.4854 4.7096 4.7096 7.8051 7.8051 8.1273 8.1273 8.1852 8.1852 8.3362 8.3362 k = 0.5326 0.1945 0.2574 ( 13040 PWs) bands (ev): -25.8601 -25.8601 -25.8600 -25.8600 -16.5603 -16.5603 -9.5742 -9.5742 -9.5621 -9.5621 -9.3235 -9.3235 -9.3121 -9.3121 -9.2926 -9.2926 -9.2891 -9.2891 -5.3526 -5.3526 -3.9755 -3.9755 -3.8970 -3.8970 -1.9694 -1.9694 3.8344 3.8344 4.4864 4.4864 4.7101 4.7101 7.7699 7.7699 8.1172 8.1172 8.1574 8.1574 8.3794 8.3794 k = 0.5380 0.1789 0.2662 ( 13032 PWs) bands (ev): -25.8601 -25.8601 -25.8600 -25.8600 -16.5603 -16.5603 -9.5745 -9.5745 -9.5625 -9.5625 -9.3254 -9.3254 -9.3130 -9.3130 -9.2908 -9.2908 -9.2876 -9.2876 -5.3525 -5.3525 -3.9739 -3.9739 -3.8979 -3.8979 -1.9722 -1.9722 3.8530 3.8530 4.4873 4.4873 4.7108 4.7108 7.7334 7.7334 8.0979 8.0979 8.1382 8.1382 8.4253 8.4253 k = 0.5435 0.1632 0.2751 ( 13039 PWs) bands (ev): -25.8601 -25.8601 -25.8600 -25.8600 -16.5603 -16.5603 -9.5749 -9.5749 -9.5629 -9.5629 -9.3273 -9.3273 -9.3139 -9.3139 -9.2891 -9.2891 -9.2859 -9.2859 -5.3523 -5.3523 -3.9722 -3.9722 -3.8988 -3.8988 -1.9753 -1.9753 3.8741 3.8741 4.4880 4.4880 4.7118 4.7118 7.6953 7.6953 8.0719 8.0719 8.1292 8.1292 8.4714 8.4714 k = 0.5489 0.1475 0.2840 ( 13032 PWs) bands (ev): -25.8601 -25.8601 -25.8600 -25.8600 -16.5604 -16.5604 -9.5753 -9.5753 -9.5632 -9.5632 -9.3291 -9.3291 -9.3148 -9.3148 -9.2874 -9.2874 -9.2843 -9.2843 -5.3521 -5.3521 -3.9702 -3.9702 -3.8999 -3.8999 -1.9786 -1.9786 3.8975 3.8975 4.4884 4.4884 4.7133 4.7133 7.6549 7.6549 8.0466 8.0466 8.1248 8.1248 8.5158 8.5158 k = 0.5543 0.1318 0.2929 ( 13030 PWs) bands (ev): -25.8601 -25.8601 -25.8599 -25.8599 -16.5604 -16.5604 -9.5758 -9.5758 -9.5636 -9.5636 -9.3310 -9.3310 -9.3156 -9.3156 -9.2857 -9.2857 -9.2826 -9.2826 -5.3519 -5.3519 -3.9682 -3.9682 -3.9010 -3.9010 -1.9822 -1.9822 3.9229 3.9229 4.4884 4.4884 4.7153 4.7153 7.6118 7.6118 8.0253 8.0253 8.1228 8.1228 8.5568 8.5568 k = 0.5598 0.1161 0.3017 ( 13033 PWs) bands (ev): -25.8602 -25.8602 -25.8599 -25.8599 -16.5605 -16.5605 -9.5763 -9.5763 -9.5640 -9.5640 -9.3328 -9.3328 -9.3163 -9.3163 -9.2840 -9.2840 -9.2810 -9.2810 -5.3517 -5.3517 -3.9661 -3.9661 -3.9022 -3.9022 -1.9859 -1.9859 3.9500 3.9500 4.4878 4.4878 4.7180 4.7180 7.5662 7.5662 8.0083 8.0083 8.1228 8.1228 8.5915 8.5915 k = 0.5652 0.1004 0.3106 ( 13031 PWs) bands (ev): -25.8602 -25.8602 -25.8599 -25.8599 -16.5605 -16.5605 -9.5768 -9.5768 -9.5644 -9.5644 -9.3347 -9.3347 -9.3170 -9.3170 -9.2824 -9.2824 -9.2795 -9.2795 -5.3515 -5.3515 -3.9639 -3.9639 -3.9034 -3.9034 -1.9898 -1.9898 3.9787 3.9787 4.4867 4.4867 4.7214 4.7214 7.5182 7.5182 7.9948 7.9948 8.1248 8.1248 8.6070 8.6070 k = 0.5707 0.0847 0.3195 ( 13014 PWs) bands (ev): -25.8602 -25.8602 -25.8598 -25.8598 -16.5605 -16.5605 -9.5774 -9.5774 -9.5647 -9.5647 -9.3364 -9.3364 -9.3176 -9.3176 -9.2808 -9.2808 -9.2780 -9.2780 -5.3513 -5.3513 -3.9616 -3.9616 -3.9046 -3.9046 -1.9938 -1.9938 4.0085 4.0085 4.4849 4.4849 4.7257 4.7257 7.4683 7.4683 7.9830 7.9830 8.1288 8.1288 8.5747 8.5747 k = 0.5761 0.0690 0.3284 ( 13025 PWs) bands (ev): -25.8603 -25.8603 -25.8598 -25.8598 -16.5606 -16.5606 -9.5781 -9.5781 -9.5649 -9.5649 -9.3382 -9.3382 -9.3180 -9.3180 -9.2792 -9.2792 -9.2766 -9.2766 -5.3511 -5.3511 -3.9594 -3.9594 -3.9057 -3.9057 -1.9978 -1.9978 4.0392 4.0392 4.4825 4.4825 4.7309 4.7309 7.4170 7.4170 7.9706 7.9706 8.1350 8.1350 8.5285 8.5285 k = 0.5815 0.0533 0.3372 ( 13023 PWs) bands (ev): -25.8603 -25.8603 -25.8597 -25.8597 -16.5606 -16.5606 -9.5787 -9.5787 -9.5652 -9.5652 -9.3399 -9.3399 -9.3184 -9.3184 -9.2777 -9.2777 -9.2753 -9.2753 -5.3509 -5.3509 -3.9573 -3.9573 -3.9067 -3.9067 -2.0018 -2.0018 4.0702 4.0702 4.4797 4.4797 4.7370 4.7370 7.3651 7.3651 7.9550 7.9550 8.1433 8.1433 8.4916 8.4916 k = 0.5870 0.0377 0.3461 ( 13033 PWs) bands (ev): -25.8604 -25.8604 -25.8597 -25.8597 -16.5607 -16.5607 -9.5795 -9.5795 -9.5654 -9.5654 -9.3415 -9.3415 -9.3187 -9.3187 -9.2762 -9.2762 -9.2742 -9.2742 -5.3507 -5.3507 -3.9553 -3.9553 -3.9077 -3.9077 -2.0057 -2.0057 4.1010 4.1010 4.4765 4.4765 4.7440 4.7440 7.3128 7.3128 7.9341 7.9341 8.1539 8.1539 8.4690 8.4690 k = 0.5924 0.0220 0.3550 ( 13031 PWs) bands (ev): -25.8604 -25.8604 -25.8596 -25.8596 -16.5607 -16.5607 -9.5802 -9.5802 -9.5655 -9.5655 -9.3432 -9.3432 -9.3188 -9.3188 -9.2748 -9.2748 -9.2731 -9.2731 -5.3505 -5.3505 -3.9535 -3.9535 -3.9085 -3.9085 -2.0095 -2.0095 4.1311 4.1311 4.4735 4.4735 4.7520 4.7520 7.2608 7.2608 7.9077 7.9077 8.1666 8.1666 8.4616 8.4616 k = 0.5978 0.0063 0.3639 ( 13021 PWs) bands (ev): -25.8605 -25.8605 -25.8595 -25.8595 -16.5608 -16.5608 -9.5809 -9.5809 -9.5655 -9.5655 -9.3447 -9.3447 -9.3189 -9.3189 -9.2735 -9.2735 -9.2721 -9.2721 -5.3504 -5.3504 -3.9518 -3.9518 -3.9091 -3.9091 -2.0131 -2.0131 4.1598 4.1598 4.4708 4.4708 4.7609 4.7609 7.2093 7.2093 7.8768 7.8768 8.1814 8.1814 8.4680 8.4680 k = 0.6033-0.0094 0.3727 ( 13017 PWs) bands (ev): -25.8606 -25.8606 -25.8594 -25.8594 -16.5608 -16.5608 -9.5817 -9.5817 -9.5655 -9.5655 -9.3462 -9.3462 -9.3189 -9.3189 -9.2725 -9.2725 -9.2710 -9.2710 -5.3503 -5.3503 -3.9505 -3.9505 -3.9095 -3.9095 -2.0166 -2.0166 4.1861 4.1861 4.4693 4.4693 4.7707 4.7707 7.1586 7.1586 7.8436 7.8436 8.1981 8.1981 8.4858 8.4858 k = 0.6087-0.0251 0.3816 ( 13021 PWs) bands (ev): -25.8607 -25.8607 -25.8593 -25.8593 -16.5608 -16.5608 -9.5824 -9.5824 -9.5654 -9.5654 -9.3477 -9.3477 -9.3187 -9.3187 -9.2717 -9.2717 -9.2698 -9.2698 -5.3502 -5.3502 -3.9495 -3.9495 -3.9096 -3.9096 -2.0198 -2.0198 4.2089 4.2089 4.4698 4.4698 4.7813 4.7813 7.1091 7.1091 7.8105 7.8105 8.2163 8.2163 8.5118 8.5118 k = 0.6141-0.0408 0.3905 ( 13018 PWs) bands (ev): -25.8607 -25.8607 -25.8592 -25.8592 -16.5609 -16.5609 -9.5831 -9.5831 -9.5652 -9.5652 -9.3491 -9.3491 -9.3185 -9.3185 -9.2713 -9.2713 -9.2686 -9.2686 -5.3501 -5.3501 -3.9488 -3.9488 -3.9095 -3.9095 -2.0228 -2.0228 4.2271 4.2271 4.4731 4.4731 4.7927 4.7927 7.0609 7.0609 7.7794 7.7794 8.2356 8.2356 8.5431 8.5431 k = 0.6196-0.0565 0.3994 ( 13012 PWs) bands (ev): -25.8608 -25.8608 -25.8591 -25.8591 -16.5609 -16.5609 -9.5839 -9.5839 -9.5650 -9.5650 -9.3504 -9.3504 -9.3182 -9.3182 -9.2711 -9.2711 -9.2674 -9.2674 -5.3500 -5.3500 -3.9484 -3.9484 -3.9091 -3.9091 -2.0255 -2.0255 4.2397 4.2397 4.4802 4.4802 4.8048 4.8048 7.0143 7.0143 7.7518 7.7518 8.2556 8.2556 8.5769 8.5769 k = 0.6250-0.0722 0.4082 ( 12984 PWs) bands (ev): -25.8609 -25.8609 -25.8590 -25.8590 -16.5609 -16.5609 -9.5846 -9.5846 -9.5647 -9.5647 -9.3516 -9.3516 -9.3178 -9.3178 -9.2711 -9.2711 -9.2662 -9.2662 -5.3500 -5.3500 -3.9484 -3.9484 -3.9085 -3.9085 -2.0279 -2.0279 4.2461 4.2461 4.4912 4.4912 4.8176 4.8176 6.9694 6.9694 7.7287 7.7287 8.2756 8.2756 8.6090 8.6090 k = 0.6250-0.0722 0.4082 ( 12984 PWs) bands (ev): -25.8609 -25.8609 -25.8590 -25.8590 -16.5609 -16.5609 -9.5846 -9.5846 -9.5647 -9.5647 -9.3516 -9.3516 -9.3178 -9.3178 -9.2711 -9.2711 -9.2662 -9.2662 -5.3500 -5.3500 -3.9484 -3.9484 -3.9085 -3.9085 -2.0279 -2.0279 4.2461 4.2461 4.4912 4.4912 4.8176 4.8176 6.9694 6.9694 7.7287 7.7287 8.2756 8.2756 8.6090 8.6090 k = 0.6154-0.0666 0.4240 ( 13017 PWs) bands (ev): -25.8609 -25.8609 -25.8590 -25.8590 -16.5609 -16.5609 -9.5846 -9.5846 -9.5647 -9.5647 -9.3515 -9.3515 -9.3179 -9.3179 -9.2710 -9.2710 -9.2662 -9.2662 -5.3500 -5.3500 -3.9483 -3.9483 -3.9086 -3.9086 -2.0279 -2.0279 4.2465 4.2465 4.4919 4.4919 4.8159 4.8159 6.9738 6.9738 7.7274 7.7274 8.2676 8.2676 8.6108 8.6108 k = 0.6058-0.0611 0.4397 ( 13027 PWs) bands (ev): -25.8609 -25.8609 -25.8590 -25.8590 -16.5609 -16.5609 -9.5846 -9.5846 -9.5648 -9.5648 -9.3513 -9.3513 -9.3181 -9.3181 -9.2710 -9.2710 -9.2662 -9.2662 -5.3499 -5.3499 -3.9480 -3.9480 -3.9089 -3.9089 -2.0279 -2.0279 4.2477 4.2477 4.4937 4.4937 4.8108 4.8108 6.9868 6.9868 7.7234 7.7234 8.2445 8.2445 8.6078 8.6078 k = 0.5962-0.0555 0.4554 ( 13019 PWs) bands (ev): -25.8609 -25.8609 -25.8591 -25.8591 -16.5609 -16.5609 -9.5845 -9.5845 -9.5649 -9.5649 -9.3510 -9.3510 -9.3185 -9.3185 -9.2709 -9.2709 -9.2661 -9.2661 -5.3499 -5.3499 -3.9476 -3.9476 -3.9093 -3.9093 -2.0279 -2.0279 4.2496 4.2496 4.4967 4.4967 4.8026 4.8026 7.0082 7.0082 7.7170 7.7170 8.2087 8.2087 8.5880 8.5880 k = 0.5865-0.0500 0.4711 ( 13014 PWs) bands (ev): -25.8609 -25.8609 -25.8591 -25.8591 -16.5609 -16.5609 -9.5844 -9.5844 -9.5650 -9.5650 -9.3506 -9.3506 -9.3191 -9.3191 -9.2709 -9.2709 -9.2661 -9.2661 -5.3499 -5.3499 -3.9469 -3.9469 -3.9099 -3.9099 -2.0280 -2.0280 4.2523 4.2523 4.5008 4.5008 4.7916 4.7916 7.0376 7.0376 7.7081 7.7081 8.1629 8.1629 8.5640 8.5640 k = 0.5769-0.0444 0.4868 ( 13024 PWs) bands (ev): -25.8608 -25.8608 -25.8592 -25.8592 -16.5609 -16.5609 -9.5843 -9.5843 -9.5652 -9.5652 -9.3501 -9.3501 -9.3197 -9.3197 -9.2707 -9.2707 -9.2660 -9.2660 -5.3498 -5.3498 -3.9462 -3.9462 -3.9106 -3.9106 -2.0280 -2.0280 4.2556 4.2556 4.5059 4.5059 4.7781 4.7781 7.0746 7.0746 7.6972 7.6972 8.1096 8.1096 8.5402 8.5402 k = 0.5673-0.0389 0.5025 ( 13027 PWs) bands (ev): -25.8607 -25.8607 -25.8592 -25.8592 -16.5609 -16.5609 -9.5841 -9.5841 -9.5655 -9.5655 -9.3495 -9.3495 -9.3205 -9.3205 -9.2706 -9.2706 -9.2660 -9.2660 -5.3498 -5.3498 -3.9453 -3.9453 -3.9115 -3.9115 -2.0280 -2.0280 4.2595 4.2595 4.5119 4.5119 4.7629 4.7629 7.1186 7.1186 7.6845 7.6845 8.0507 8.0507 8.5188 8.5188 k = 0.5577-0.0333 0.5182 ( 13029 PWs) bands (ev): -25.8607 -25.8607 -25.8593 -25.8593 -16.5609 -16.5609 -9.5840 -9.5840 -9.5657 -9.5657 -9.3488 -9.3488 -9.3213 -9.3213 -9.2704 -9.2704 -9.2660 -9.2660 -5.3497 -5.3497 -3.9443 -3.9443 -3.9124 -3.9124 -2.0280 -2.0280 4.2638 4.2638 4.5185 4.5185 4.7464 4.7464 7.1690 7.1690 7.6706 7.6706 7.9877 7.9877 8.5008 8.5008 k = 0.5481-0.0278 0.5339 ( 13027 PWs) bands (ev): -25.8606 -25.8606 -25.8594 -25.8594 -16.5609 -16.5609 -9.5838 -9.5838 -9.5660 -9.5660 -9.3481 -9.3481 -9.3222 -9.3222 -9.2702 -9.2702 -9.2660 -9.2660 -5.3497 -5.3497 -3.9432 -3.9432 -3.9134 -3.9134 -2.0281 -2.0281 4.2684 4.2684 4.5255 4.5255 4.7294 4.7294 7.2251 7.2251 7.6562 7.6562 7.9218 7.9218 8.4867 8.4867 k = 0.5385-0.0222 0.5496 ( 13039 PWs) bands (ev): -25.8605 -25.8605 -25.8595 -25.8595 -16.5609 -16.5609 -9.5836 -9.5836 -9.5662 -9.5662 -9.3475 -9.3475 -9.3230 -9.3230 -9.2699 -9.2699 -9.2661 -9.2661 -5.3497 -5.3497 -3.9422 -3.9422 -3.9144 -3.9144 -2.0281 -2.0281 4.2730 4.2730 4.5325 4.5325 4.7130 4.7130 7.2861 7.2861 7.6420 7.6420 7.8541 7.8541 8.4764 8.4764 k = 0.5288-0.0167 0.5653 ( 13065 PWs) bands (ev): -25.8604 -25.8604 -25.8596 -25.8596 -16.5609 -16.5609 -9.5835 -9.5835 -9.5664 -9.5664 -9.3469 -9.3469 -9.3237 -9.3237 -9.2697 -9.2697 -9.2662 -9.2662 -5.3496 -5.3496 -3.9412 -3.9412 -3.9154 -3.9154 -2.0281 -2.0281 4.2774 4.2774 4.5389 4.5389 4.6980 4.6980 7.3511 7.3511 7.6285 7.6285 7.7854 7.7854 8.4694 8.4694 k = 0.5192-0.0111 0.5810 ( 13077 PWs) bands (ev): -25.8603 -25.8603 -25.8597 -25.8597 -16.5610 -16.5610 -9.5834 -9.5834 -9.5666 -9.5666 -9.3464 -9.3464 -9.3243 -9.3243 -9.2694 -9.2694 -9.2664 -9.2664 -5.3496 -5.3496 -3.9404 -3.9404 -3.9161 -3.9161 -2.0281 -2.0281 4.2812 4.2812 4.5442 4.5442 4.6858 4.6858 7.4188 7.4188 7.6167 7.6167 7.7170 7.7170 8.4653 8.4653 k = 0.5096-0.0056 0.5967 ( 13086 PWs) bands (ev): -25.8601 -25.8601 -25.8599 -25.8599 -16.5610 -16.5610 -9.5833 -9.5833 -9.5667 -9.5667 -9.3461 -9.3461 -9.3247 -9.3247 -9.2692 -9.2692 -9.2665 -9.2665 -5.3496 -5.3496 -3.9399 -3.9399 -3.9167 -3.9167 -2.0281 -2.0281 4.2838 4.2838 4.5474 4.5474 4.6779 4.6779 7.4859 7.4859 7.6068 7.6068 7.6521 7.6521 8.4633 8.4633 k = 0.5000 0.0000 0.6124 ( 13060 PWs) bands (ev): -25.8600 -25.8600 -25.8600 -25.8600 -16.5610 -16.5610 -9.5832 -9.5832 -9.5668 -9.5668 -9.3459 -9.3459 -9.3248 -9.3248 -9.2691 -9.2691 -9.2666 -9.2666 -5.3496 -5.3496 -3.9397 -3.9397 -3.9168 -3.9168 -2.0281 -2.0281 4.2849 4.2849 4.5484 4.5484 4.6751 4.6751 7.5286 7.5286 7.6009 7.6009 7.6127 7.6127 8.4628 8.4628 k = 0.5000 0.0000 0.6124 ( 13060 PWs) bands (ev): -25.8600 -25.8600 -25.8600 -25.8600 -16.5610 -16.5610 -9.5832 -9.5832 -9.5668 -9.5668 -9.3459 -9.3459 -9.3248 -9.3248 -9.2691 -9.2691 -9.2666 -9.2666 -5.3496 -5.3496 -3.9397 -3.9397 -3.9168 -3.9168 -2.0281 -2.0281 4.2849 4.2849 4.5484 4.5484 4.6751 4.6751 7.5286 7.5286 7.6009 7.6009 7.6127 7.6127 8.4628 8.4628 k = 0.5000 0.0111 0.5967 ( 13082 PWs) bands (ev): -25.8600 -25.8600 -25.8600 -25.8600 -16.5610 -16.5610 -9.5832 -9.5832 -9.5668 -9.5668 -9.3459 -9.3459 -9.3248 -9.3248 -9.2692 -9.2692 -9.2666 -9.2666 -5.3496 -5.3496 -3.9399 -3.9399 -3.9167 -3.9167 -2.0279 -2.0279 4.2832 4.2832 4.5461 4.5461 4.6769 4.6769 7.5258 7.5258 7.5892 7.5892 7.6337 7.6337 8.4636 8.4636 k = 0.5000 0.0222 0.5810 ( 13062 PWs) bands (ev): -25.8600 -25.8600 -25.8600 -25.8600 -16.5609 -16.5609 -9.5830 -9.5830 -9.5668 -9.5668 -9.3457 -9.3457 -9.3247 -9.3247 -9.2694 -9.2694 -9.2668 -9.2668 -5.3496 -5.3496 -3.9404 -3.9404 -3.9164 -3.9164 -2.0271 -2.0271 4.2781 4.2781 4.5398 4.5398 4.6817 4.6817 7.5193 7.5193 7.5807 7.5807 7.6678 7.6678 8.4662 8.4662 k = 0.5000 0.0333 0.5653 ( 13052 PWs) bands (ev): -25.8600 -25.8600 -25.8600 -25.8600 -16.5609 -16.5609 -9.5828 -9.5828 -9.5667 -9.5667 -9.3454 -9.3454 -9.3245 -9.3245 -9.2698 -9.2698 -9.2672 -9.2672 -5.3497 -5.3497 -3.9412 -3.9412 -3.9160 -3.9160 -2.0259 -2.0259 4.2694 4.2694 4.5311 4.5311 4.6882 4.6882 7.5134 7.5134 7.5767 7.5767 7.7095 7.7095 8.4703 8.4703 k = 0.5000 0.0444 0.5496 ( 13044 PWs) bands (ev): -25.8600 -25.8600 -25.8600 -25.8600 -16.5609 -16.5609 -9.5825 -9.5825 -9.5666 -9.5666 -9.3449 -9.3449 -9.3243 -9.3243 -9.2703 -9.2703 -9.2677 -9.2677 -5.3497 -5.3497 -3.9423 -3.9423 -3.9153 -3.9153 -2.0243 -2.0243 4.2569 4.2569 4.5217 4.5217 4.6952 4.6952 7.5108 7.5108 7.5753 7.5753 7.7577 7.7577 8.4757 8.4757 k = 0.5000 0.0555 0.5339 ( 13046 PWs) bands (ev): -25.8600 -25.8600 -25.8600 -25.8600 -16.5609 -16.5609 -9.5821 -9.5821 -9.5665 -9.5665 -9.3444 -9.3444 -9.3239 -9.3239 -9.2709 -9.2709 -9.2683 -9.2683 -5.3498 -5.3498 -3.9437 -3.9437 -3.9145 -3.9145 -2.0222 -2.0222 4.2404 4.2404 4.5129 4.5129 4.7018 4.7018 7.5129 7.5129 7.5753 7.5753 7.8117 7.8117 8.4821 8.4821 k = 0.5000 0.0666 0.5182 ( 13044 PWs) bands (ev): -25.8600 -25.8600 -25.8600 -25.8600 -16.5609 -16.5609 -9.5817 -9.5817 -9.5664 -9.5664 -9.3437 -9.3437 -9.3235 -9.3235 -9.2717 -9.2717 -9.2690 -9.2690 -5.3499 -5.3499 -3.9454 -3.9454 -3.9136 -3.9136 -2.0197 -2.0197 4.2202 4.2202 4.5054 4.5054 4.7075 4.7075 7.5201 7.5201 7.5767 7.5767 7.8708 7.8708 8.4890 8.4890 k = 0.5000 0.0777 0.5025 ( 13026 PWs) bands (ev): -25.8600 -25.8600 -25.8600 -25.8600 -16.5608 -16.5608 -9.5812 -9.5812 -9.5663 -9.5663 -9.3429 -9.3429 -9.3231 -9.3231 -9.2726 -9.2726 -9.2699 -9.2699 -5.3501 -5.3501 -3.9472 -3.9472 -3.9126 -3.9126 -2.0169 -2.0169 4.1966 4.1966 4.4995 4.4995 4.7120 4.7120 7.5323 7.5323 7.5796 7.5796 7.9344 7.9344 8.4958 8.4958 k = 0.5000 0.0888 0.4868 ( 13028 PWs) bands (ev): -25.8600 -25.8600 -25.8600 -25.8600 -16.5608 -16.5608 -9.5806 -9.5806 -9.5661 -9.5661 -9.3420 -9.3420 -9.3225 -9.3225 -9.2736 -9.2736 -9.2709 -9.2709 -5.3502 -5.3502 -3.9492 -3.9492 -3.9115 -3.9115 -2.0137 -2.0137 4.1700 4.1700 4.4953 4.4953 4.7153 4.7153 7.5489 7.5489 7.5846 7.5846 8.0016 8.0016 8.5020 8.5020 k = 0.5000 0.0999 0.4711 ( 13024 PWs) bands (ev): -25.8600 -25.8600 -25.8600 -25.8600 -16.5607 -16.5607 -9.5800 -9.5800 -9.5659 -9.5659 -9.3410 -9.3410 -9.3219 -9.3219 -9.2747 -9.2747 -9.2720 -9.2720 -5.3504 -5.3504 -3.9514 -3.9514 -3.9103 -3.9103 -2.0103 -2.0103 4.1413 4.1413 4.4926 4.4926 4.7175 4.7175 7.5673 7.5673 7.5943 7.5943 8.0711 8.0711 8.5067 8.5067 k = 0.5000 0.1110 0.4554 ( 13022 PWs) bands (ev): -25.8600 -25.8600 -25.8600 -25.8600 -16.5607 -16.5607 -9.5794 -9.5794 -9.5657 -9.5657 -9.3399 -9.3399 -9.3213 -9.3213 -9.2760 -9.2760 -9.2732 -9.2732 -5.3506 -5.3506 -3.9536 -3.9536 -3.9091 -3.9091 -2.0066 -2.0066 4.1109 4.1109 4.4910 4.4910 4.7185 4.7185 7.5823 7.5823 7.6137 7.6137 8.1407 8.1407 8.5091 8.5091 k = 0.5000 0.1221 0.4397 ( 13026 PWs) bands (ev): -25.8600 -25.8600 -25.8600 -25.8600 -16.5607 -16.5607 -9.5788 -9.5788 -9.5654 -9.5654 -9.3386 -9.3386 -9.3206 -9.3206 -9.2773 -9.2773 -9.2746 -9.2746 -5.3508 -5.3508 -3.9560 -3.9560 -3.9078 -3.9078 -2.0028 -2.0028 4.0797 4.0797 4.4902 4.4902 4.7187 4.7187 7.5937 7.5937 7.6430 7.6430 8.2065 8.2065 8.5090 8.5090 k = 0.5000 0.1332 0.4240 ( 13016 PWs) bands (ev): -25.8600 -25.8600 -25.8600 -25.8600 -16.5606 -16.5606 -9.5782 -9.5782 -9.5651 -9.5651 -9.3373 -9.3373 -9.3198 -9.3198 -9.2787 -9.2787 -9.2760 -9.2760 -5.3510 -5.3510 -3.9583 -3.9583 -3.9065 -3.9065 -1.9988 -1.9988 4.0481 4.0481 4.4899 4.4899 4.7183 4.7183 7.6050 7.6050 7.6784 7.6784 8.2612 8.2612 8.5084 8.5084 k = 0.5000 0.1443 0.4082 ( 13016 PWs) bands (ev): -25.8600 -25.8600 -25.8600 -25.8600 -16.5606 -16.5606 -9.5775 -9.5775 -9.5648 -9.5648 -9.3358 -9.3358 -9.3190 -9.3190 -9.2802 -9.2802 -9.2775 -9.2775 -5.3512 -5.3512 -3.9607 -3.9607 -3.9052 -3.9052 -1.9948 -1.9948 4.0168 4.0168 4.4899 4.4899 4.7173 4.7173 7.6178 7.6178 7.7181 7.7181 8.2954 8.2954 8.5050 8.5050 k = 0.5000 0.1554 0.3925 ( 13022 PWs) bands (ev): -25.8600 -25.8600 -25.8600 -25.8600 -16.5605 -16.5605 -9.5769 -9.5769 -9.5645 -9.5645 -9.3343 -9.3343 -9.3181 -9.3181 -9.2818 -9.2818 -9.2791 -9.2791 -5.3514 -5.3514 -3.9631 -3.9631 -3.9039 -3.9039 -1.9908 -1.9908 3.9861 3.9861 4.4900 4.4900 4.7161 4.7161 7.6327 7.6327 7.7613 7.7613 8.3070 8.3070 8.4958 8.4958 k = 0.5000 0.1665 0.3768 ( 13032 PWs) bands (ev): -25.8600 -25.8600 -25.8600 -25.8600 -16.5605 -16.5605 -9.5764 -9.5764 -9.5641 -9.5641 -9.3327 -9.3327 -9.3172 -9.3172 -9.2834 -9.2834 -9.2807 -9.2807 -5.3516 -5.3516 -3.9655 -3.9655 -3.9026 -3.9026 -1.9868 -1.9868 3.9566 3.9566 4.4899 4.4899 4.7148 4.7148 7.6499 7.6499 7.8072 7.8072 8.3037 8.3037 8.4812 8.4812 k = 0.5000 0.1776 0.3611 ( 13026 PWs) bands (ev): -25.8601 -25.8601 -25.8600 -25.8600 -16.5604 -16.5604 -9.5759 -9.5759 -9.5637 -9.5637 -9.3310 -9.3310 -9.3163 -9.3163 -9.2851 -9.2851 -9.2824 -9.2824 -5.3519 -5.3519 -3.9677 -3.9677 -3.9013 -3.9013 -1.9829 -1.9829 3.9285 3.9285 4.4897 4.4897 4.7135 4.7135 7.6696 7.6696 7.8552 7.8552 8.2937 8.2937 8.4616 8.4616 k = 0.5000 0.1887 0.3454 ( 13034 PWs) bands (ev): -25.8601 -25.8601 -25.8600 -25.8600 -16.5604 -16.5604 -9.5754 -9.5754 -9.5633 -9.5633 -9.3292 -9.3292 -9.3153 -9.3153 -9.2869 -9.2869 -9.2841 -9.2841 -5.3521 -5.3521 -3.9698 -3.9698 -3.9001 -3.9001 -1.9793 -1.9793 3.9022 3.9022 4.4892 4.4892 4.7124 4.7124 7.6919 7.6919 7.9046 7.9046 8.2814 8.2814 8.4372 8.4372 k = 0.5000 0.1999 0.3297 ( 13038 PWs) bands (ev): -25.8601 -25.8601 -25.8600 -25.8600 -16.5603 -16.5603 -9.5750 -9.5750 -9.5629 -9.5629 -9.3274 -9.3274 -9.3143 -9.3143 -9.2887 -9.2887 -9.2857 -9.2857 -5.3523 -5.3523 -3.9718 -3.9718 -3.8990 -3.8990 -1.9758 -1.9758 3.8780 3.8780 4.4885 4.4885 4.7114 4.7114 7.7167 7.7167 7.9544 7.9544 8.2694 8.2694 8.4082 8.4082 k = 0.5000 0.2110 0.3140 ( 13032 PWs) bands (ev): -25.8601 -25.8601 -25.8600 -25.8600 -16.5603 -16.5603 -9.5746 -9.5746 -9.5625 -9.5625 -9.3256 -9.3256 -9.3133 -9.3133 -9.2905 -9.2905 -9.2874 -9.2874 -5.3525 -5.3525 -3.9737 -3.9737 -3.8980 -3.8980 -1.9726 -1.9726 3.8561 3.8561 4.4876 4.4876 4.7106 4.7106 7.7441 7.7441 8.0030 8.0030 8.2596 8.2596 8.3755 8.3755 k = 0.5000 0.2221 0.2983 ( 13034 PWs) bands (ev): -25.8601 -25.8601 -25.8600 -25.8600 -16.5603 -16.5603 -9.5743 -9.5743 -9.5622 -9.5622 -9.3237 -9.3237 -9.3123 -9.3123 -9.2923 -9.2923 -9.2889 -9.2889 -5.3526 -5.3526 -3.9753 -3.9753 -3.8971 -3.8971 -1.9698 -1.9698 3.8366 3.8366 4.4866 4.4866 4.7100 4.7100 7.7737 7.7737 8.0485 8.0485 8.2533 8.2533 8.3400 8.3400 k = 0.5000 0.2332 0.2826 ( 13042 PWs) bands (ev): -25.8601 -25.8601 -25.8600 -25.8600 -16.5602 -16.5602 -9.5740 -9.5740 -9.5619 -9.5619 -9.3219 -9.3219 -9.3113 -9.3113 -9.2942 -9.2942 -9.2904 -9.2904 -5.3528 -5.3528 -3.9767 -3.9767 -3.8963 -3.8963 -1.9673 -1.9673 3.8199 3.8199 4.4855 4.4855 4.7096 4.7096 7.8051 7.8051 8.0874 8.0874 8.2514 8.2514 8.3046 8.3046 k = 0.5000 0.2443 0.2669 ( 13050 PWs) bands (ev): -25.8601 -25.8601 -25.8600 -25.8600 -16.5602 -16.5602 -9.5738 -9.5738 -9.5616 -9.5616 -9.3201 -9.3201 -9.3103 -9.3103 -9.2960 -9.2960 -9.2917 -9.2917 -5.3529 -5.3529 -3.9779 -3.9779 -3.8956 -3.8956 -1.9652 -1.9652 3.8061 3.8061 4.4845 4.4845 4.7094 4.7094 7.8378 7.8378 8.1160 8.1160 8.2435 8.2435 8.2836 8.2836 k = 0.5000 0.2554 0.2512 ( 13038 PWs) bands (ev): -25.8601 -25.8601 -25.8600 -25.8600 -16.5602 -16.5602 -9.5736 -9.5736 -9.5613 -9.5613 -9.3185 -9.3185 -9.3095 -9.3095 -9.2976 -9.2976 -9.2929 -9.2929 -5.3530 -5.3530 -3.9788 -3.9788 -3.8951 -3.8951 -1.9635 -1.9635 3.7951 3.7951 4.4836 4.4836 4.7092 4.7092 7.8703 7.8703 8.1329 8.1329 8.2134 8.2134 8.2943 8.2943 k = 0.5000 0.2665 0.2355 ( 13044 PWs) bands (ev): -25.8601 -25.8601 -25.8600 -25.8600 -16.5602 -16.5602 -9.5735 -9.5735 -9.5612 -9.5612 -9.3172 -9.3172 -9.3088 -9.3088 -9.2990 -9.2990 -9.2938 -9.2938 -5.3531 -5.3531 -3.9795 -3.9795 -3.8947 -3.8947 -1.9623 -1.9623 3.7873 3.7873 4.4829 4.4829 4.7091 4.7091 7.9004 7.9004 8.1409 8.1409 8.1804 8.1804 8.3145 8.3145 k = 0.5000 0.2776 0.2198 ( 13036 PWs) bands (ev): -25.8601 -25.8601 -25.8600 -25.8600 -16.5602 -16.5602 -9.5734 -9.5734 -9.5611 -9.5611 -9.3162 -9.3162 -9.3083 -9.3083 -9.2999 -9.2999 -9.2944 -9.2944 -5.3531 -5.3531 -3.9799 -3.9799 -3.8944 -3.8944 -1.9616 -1.9616 3.7825 3.7825 4.4825 4.4825 4.7091 4.7091 7.9234 7.9234 8.1441 8.1441 8.1549 8.1549 8.3310 8.3310 k = 0.5000 0.2887 0.2041 ( 13070 PWs) bands (ev): -25.8601 -25.8601 -25.8600 -25.8600 -16.5602 -16.5602 -9.5734 -9.5734 -9.5610 -9.5610 -9.3159 -9.3159 -9.3082 -9.3082 -9.3003 -9.3003 -9.2946 -9.2946 -5.3531 -5.3531 -3.9801 -3.9801 -3.8944 -3.8944 -1.9613 -1.9613 3.7809 3.7809 4.4824 4.4824 4.7091 4.7091 7.9325 7.9325 8.1449 8.1449 8.1450 8.1450 8.3373 8.3373 k = 0.5000 0.2887 0.2041 ( 13070 PWs) bands (ev): -25.8601 -25.8601 -25.8600 -25.8600 -16.5602 -16.5602 -9.5734 -9.5734 -9.5610 -9.5610 -9.3159 -9.3159 -9.3082 -9.3082 -9.3003 -9.3003 -9.2946 -9.2946 -5.3531 -5.3531 -3.9801 -3.9801 -3.8944 -3.8944 -1.9613 -1.9613 3.7809 3.7809 4.4824 4.4824 4.7091 4.7091 7.9325 7.9325 8.1449 8.1449 8.1450 8.1450 8.3373 8.3373 k = 0.4946 0.2855 0.2219 ( 13040 PWs) bands (ev): -25.8601 -25.8601 -25.8600 -25.8600 -16.5602 -16.5602 -9.5734 -9.5734 -9.5611 -9.5611 -9.3162 -9.3162 -9.3083 -9.3083 -9.2999 -9.2999 -9.2944 -9.2944 -5.3531 -5.3531 -3.9799 -3.9799 -3.8944 -3.8944 -1.9616 -1.9616 3.7825 3.7825 4.4825 4.4825 4.7091 4.7091 7.9238 7.9238 8.1442 8.1442 8.1544 8.1544 8.3313 8.3313 k = 0.4891 0.2824 0.2396 ( 13040 PWs) bands (ev): -25.8601 -25.8601 -25.8600 -25.8600 -16.5602 -16.5602 -9.5735 -9.5735 -9.5612 -9.5612 -9.3171 -9.3171 -9.3088 -9.3088 -9.2990 -9.2990 -9.2938 -9.2938 -5.3531 -5.3531 -3.9795 -3.9795 -3.8947 -3.8947 -1.9623 -1.9623 3.7870 3.7870 4.4829 4.4829 4.7091 4.7091 7.9015 7.9015 8.1420 8.1420 8.1780 8.1780 8.3155 8.3155 k = 0.4837 0.2793 0.2574 ( 13040 PWs) bands (ev): -25.8601 -25.8601 -25.8600 -25.8600 -16.5602 -16.5602 -9.5736 -9.5736 -9.5613 -9.5613 -9.3184 -9.3184 -9.3094 -9.3094 -9.2977 -9.2977 -9.2929 -9.2929 -5.3530 -5.3530 -3.9789 -3.9789 -3.8950 -3.8950 -1.9634 -1.9634 3.7945 3.7945 4.4836 4.4836 4.7092 4.7092 7.8720 7.8720 8.1386 8.1386 8.2032 8.2032 8.2990 8.2990 k = 0.4783 0.2761 0.2751 ( 13041 PWs) bands (ev): -25.8601 -25.8601 -25.8600 -25.8600 -16.5602 -16.5602 -9.5738 -9.5738 -9.5615 -9.5615 -9.3200 -9.3200 -9.3103 -9.3103 -9.2961 -9.2961 -9.2918 -9.2918 -5.3529 -5.3529 -3.9780 -3.9780 -3.8956 -3.8956 -1.9650 -1.9650 3.8050 3.8050 4.4844 4.4844 4.7094 4.7094 7.8393 7.8393 8.1338 8.1338 8.2074 8.2074 8.3037 8.3037 k = 0.4728 0.2730 0.2929 ( 13043 PWs) bands (ev): -25.8601 -25.8601 -25.8600 -25.8600 -16.5602 -16.5602 -9.5740 -9.5740 -9.5618 -9.5618 -9.3217 -9.3217 -9.3112 -9.3112 -9.2944 -9.2944 -9.2905 -9.2905 -5.3528 -5.3528 -3.9768 -3.9768 -3.8962 -3.8962 -1.9670 -1.9670 3.8183 3.8183 4.4854 4.4854 4.7096 4.7096 7.8051 7.8051 8.1273 8.1273 8.1852 8.1852 8.3362 8.3362 k = 0.4674 0.2698 0.3106 ( 13040 PWs) bands (ev): -25.8601 -25.8601 -25.8600 -25.8600 -16.5603 -16.5603 -9.5742 -9.5742 -9.5621 -9.5621 -9.3235 -9.3235 -9.3121 -9.3121 -9.2926 -9.2926 -9.2891 -9.2891 -5.3526 -5.3526 -3.9755 -3.9755 -3.8970 -3.8970 -1.9694 -1.9694 3.8344 3.8344 4.4864 4.4864 4.7101 4.7101 7.7699 7.7699 8.1172 8.1172 8.1574 8.1574 8.3794 8.3794 k = 0.4620 0.2667 0.3284 ( 13032 PWs) bands (ev): -25.8601 -25.8601 -25.8600 -25.8600 -16.5603 -16.5603 -9.5745 -9.5745 -9.5625 -9.5625 -9.3254 -9.3254 -9.3130 -9.3130 -9.2908 -9.2908 -9.2876 -9.2876 -5.3525 -5.3525 -3.9739 -3.9739 -3.8979 -3.8979 -1.9722 -1.9722 3.8530 3.8530 4.4873 4.4873 4.7108 4.7108 7.7334 7.7334 8.0979 8.0979 8.1382 8.1382 8.4253 8.4253 k = 0.4565 0.2636 0.3461 ( 13039 PWs) bands (ev): -25.8601 -25.8601 -25.8600 -25.8600 -16.5603 -16.5603 -9.5749 -9.5749 -9.5629 -9.5629 -9.3273 -9.3273 -9.3139 -9.3139 -9.2891 -9.2891 -9.2859 -9.2859 -5.3523 -5.3523 -3.9722 -3.9722 -3.8988 -3.8988 -1.9753 -1.9753 3.8741 3.8741 4.4880 4.4880 4.7118 4.7118 7.6953 7.6953 8.0719 8.0719 8.1292 8.1292 8.4714 8.4714 k = 0.4511 0.2604 0.3639 ( 13032 PWs) bands (ev): -25.8601 -25.8601 -25.8600 -25.8600 -16.5604 -16.5604 -9.5753 -9.5753 -9.5632 -9.5632 -9.3291 -9.3291 -9.3148 -9.3148 -9.2874 -9.2874 -9.2843 -9.2843 -5.3521 -5.3521 -3.9702 -3.9702 -3.8999 -3.8999 -1.9786 -1.9786 3.8975 3.8975 4.4884 4.4884 4.7133 4.7133 7.6549 7.6549 8.0466 8.0466 8.1248 8.1248 8.5158 8.5158 k = 0.4457 0.2573 0.3816 ( 13030 PWs) bands (ev): -25.8601 -25.8601 -25.8599 -25.8599 -16.5604 -16.5604 -9.5758 -9.5758 -9.5636 -9.5636 -9.3310 -9.3310 -9.3156 -9.3156 -9.2857 -9.2857 -9.2826 -9.2826 -5.3519 -5.3519 -3.9682 -3.9682 -3.9010 -3.9010 -1.9822 -1.9822 3.9229 3.9229 4.4884 4.4884 4.7153 4.7153 7.6118 7.6118 8.0253 8.0253 8.1228 8.1228 8.5568 8.5568 k = 0.4402 0.2542 0.3994 ( 13033 PWs) bands (ev): -25.8602 -25.8602 -25.8599 -25.8599 -16.5605 -16.5605 -9.5763 -9.5763 -9.5640 -9.5640 -9.3328 -9.3328 -9.3163 -9.3163 -9.2840 -9.2840 -9.2810 -9.2810 -5.3517 -5.3517 -3.9661 -3.9661 -3.9022 -3.9022 -1.9859 -1.9859 3.9500 3.9500 4.4878 4.4878 4.7180 4.7180 7.5662 7.5662 8.0083 8.0083 8.1228 8.1228 8.5915 8.5915 k = 0.4348 0.2510 0.4171 ( 13031 PWs) bands (ev): -25.8602 -25.8602 -25.8599 -25.8599 -16.5605 -16.5605 -9.5768 -9.5768 -9.5644 -9.5644 -9.3347 -9.3347 -9.3170 -9.3170 -9.2824 -9.2824 -9.2795 -9.2795 -5.3515 -5.3515 -3.9639 -3.9639 -3.9034 -3.9034 -1.9898 -1.9898 3.9787 3.9787 4.4867 4.4867 4.7214 4.7214 7.5182 7.5182 7.9948 7.9948 8.1248 8.1248 8.6070 8.6070 k = 0.4293 0.2479 0.4349 ( 13014 PWs) bands (ev): -25.8602 -25.8602 -25.8598 -25.8598 -16.5605 -16.5605 -9.5774 -9.5774 -9.5647 -9.5647 -9.3364 -9.3364 -9.3176 -9.3176 -9.2808 -9.2808 -9.2780 -9.2780 -5.3513 -5.3513 -3.9616 -3.9616 -3.9046 -3.9046 -1.9938 -1.9938 4.0085 4.0085 4.4849 4.4849 4.7257 4.7257 7.4683 7.4683 7.9830 7.9830 8.1288 8.1288 8.5747 8.5747 k = 0.4239 0.2447 0.4526 ( 13025 PWs) bands (ev): -25.8603 -25.8603 -25.8598 -25.8598 -16.5606 -16.5606 -9.5781 -9.5781 -9.5649 -9.5649 -9.3382 -9.3382 -9.3180 -9.3180 -9.2792 -9.2792 -9.2766 -9.2766 -5.3511 -5.3511 -3.9594 -3.9594 -3.9057 -3.9057 -1.9978 -1.9978 4.0392 4.0392 4.4825 4.4825 4.7309 4.7309 7.4170 7.4170 7.9706 7.9706 8.1350 8.1350 8.5285 8.5285 k = 0.4185 0.2416 0.4704 ( 13023 PWs) bands (ev): -25.8603 -25.8603 -25.8597 -25.8597 -16.5606 -16.5606 -9.5787 -9.5787 -9.5652 -9.5652 -9.3399 -9.3399 -9.3184 -9.3184 -9.2777 -9.2777 -9.2753 -9.2753 -5.3509 -5.3509 -3.9573 -3.9573 -3.9067 -3.9067 -2.0018 -2.0018 4.0702 4.0702 4.4797 4.4797 4.7370 4.7370 7.3651 7.3651 7.9550 7.9550 8.1433 8.1433 8.4916 8.4916 k = 0.4130 0.2385 0.4881 ( 13033 PWs) bands (ev): -25.8604 -25.8604 -25.8597 -25.8597 -16.5607 -16.5607 -9.5795 -9.5795 -9.5654 -9.5654 -9.3415 -9.3415 -9.3187 -9.3187 -9.2762 -9.2762 -9.2742 -9.2742 -5.3507 -5.3507 -3.9553 -3.9553 -3.9077 -3.9077 -2.0057 -2.0057 4.1010 4.1010 4.4765 4.4765 4.7440 4.7440 7.3128 7.3128 7.9341 7.9341 8.1539 8.1539 8.4690 8.4690 k = 0.4076 0.2353 0.5059 ( 13031 PWs) bands (ev): -25.8604 -25.8604 -25.8596 -25.8596 -16.5607 -16.5607 -9.5802 -9.5802 -9.5655 -9.5655 -9.3432 -9.3432 -9.3188 -9.3188 -9.2748 -9.2748 -9.2731 -9.2731 -5.3505 -5.3505 -3.9535 -3.9535 -3.9085 -3.9085 -2.0095 -2.0095 4.1311 4.1311 4.4735 4.4735 4.7520 4.7520 7.2608 7.2608 7.9077 7.9077 8.1666 8.1666 8.4616 8.4616 k = 0.4022 0.2322 0.5236 ( 13021 PWs) bands (ev): -25.8605 -25.8605 -25.8595 -25.8595 -16.5608 -16.5608 -9.5809 -9.5809 -9.5655 -9.5655 -9.3447 -9.3447 -9.3189 -9.3189 -9.2735 -9.2735 -9.2721 -9.2721 -5.3504 -5.3504 -3.9518 -3.9518 -3.9091 -3.9091 -2.0131 -2.0131 4.1598 4.1598 4.4708 4.4708 4.7609 4.7609 7.2093 7.2093 7.8768 7.8768 8.1814 8.1814 8.4680 8.4680 k = 0.3967 0.2291 0.5414 ( 13017 PWs) bands (ev): -25.8606 -25.8606 -25.8594 -25.8594 -16.5608 -16.5608 -9.5817 -9.5817 -9.5655 -9.5655 -9.3462 -9.3462 -9.3189 -9.3189 -9.2725 -9.2725 -9.2710 -9.2710 -5.3503 -5.3503 -3.9505 -3.9505 -3.9095 -3.9095 -2.0166 -2.0166 4.1861 4.1861 4.4694 4.4694 4.7707 4.7707 7.1586 7.1586 7.8436 7.8436 8.1981 8.1981 8.4858 8.4858 k = 0.3913 0.2259 0.5591 ( 13021 PWs) bands (ev): -25.8607 -25.8607 -25.8593 -25.8593 -16.5608 -16.5608 -9.5824 -9.5824 -9.5654 -9.5654 -9.3477 -9.3477 -9.3187 -9.3187 -9.2717 -9.2717 -9.2698 -9.2698 -5.3502 -5.3502 -3.9495 -3.9495 -3.9096 -3.9096 -2.0198 -2.0198 4.2089 4.2089 4.4698 4.4698 4.7813 4.7813 7.1091 7.1091 7.8105 7.8105 8.2163 8.2163 8.5118 8.5118 k = 0.3859 0.2228 0.5769 ( 13018 PWs) bands (ev): -25.8607 -25.8607 -25.8592 -25.8592 -16.5609 -16.5609 -9.5831 -9.5831 -9.5652 -9.5652 -9.3491 -9.3491 -9.3185 -9.3185 -9.2713 -9.2713 -9.2686 -9.2686 -5.3501 -5.3501 -3.9488 -3.9488 -3.9095 -3.9095 -2.0228 -2.0228 4.2271 4.2271 4.4731 4.4731 4.7927 4.7927 7.0609 7.0609 7.7794 7.7794 8.2356 8.2356 8.5431 8.5431 k = 0.3804 0.2196 0.5946 ( 13012 PWs) bands (ev): -25.8608 -25.8608 -25.8591 -25.8591 -16.5609 -16.5609 -9.5839 -9.5839 -9.5650 -9.5650 -9.3504 -9.3504 -9.3182 -9.3182 -9.2711 -9.2711 -9.2674 -9.2674 -5.3500 -5.3500 -3.9484 -3.9484 -3.9091 -3.9091 -2.0255 -2.0255 4.2397 4.2397 4.4802 4.4802 4.8048 4.8048 7.0143 7.0143 7.7518 7.7518 8.2556 8.2556 8.5769 8.5769 k = 0.3750 0.2165 0.6124 ( 12984 PWs) bands (ev): -25.8609 -25.8609 -25.8590 -25.8590 -16.5609 -16.5609 -9.5846 -9.5846 -9.5647 -9.5647 -9.3516 -9.3516 -9.3178 -9.3178 -9.2711 -9.2711 -9.2662 -9.2662 -5.3500 -5.3500 -3.9484 -3.9484 -3.9085 -3.9085 -2.0279 -2.0279 4.2461 4.2461 4.4912 4.4912 4.8176 4.8176 6.9694 6.9694 7.7287 7.7287 8.2756 8.2756 8.6090 8.6090 k = 0.6250-0.0722 0.4082 ( 12984 PWs) bands (ev): -25.8609 -25.8609 -25.8590 -25.8590 -16.5609 -16.5609 -9.5846 -9.5846 -9.5647 -9.5647 -9.3516 -9.3516 -9.3178 -9.3178 -9.2711 -9.2711 -9.2662 -9.2662 -5.3500 -5.3500 -3.9484 -3.9484 -3.9085 -3.9085 -2.0279 -2.0279 4.2461 4.2461 4.4912 4.4912 4.8176 4.8176 6.9694 6.9694 7.7287 7.7287 8.2756 8.2756 8.6090 8.6090 k = 0.6154-0.0888 0.4082 ( 13012 PWs) bands (ev): -25.8611 -25.8611 -25.8588 -25.8588 -16.5609 -16.5609 -9.5859 -9.5859 -9.5640 -9.5640 -9.3537 -9.3537 -9.3170 -9.3170 -9.2712 -9.2712 -9.2642 -9.2642 -5.3499 -5.3499 -3.9487 -3.9487 -3.9071 -3.9071 -2.0320 -2.0320 4.2494 4.2494 4.5177 4.5177 4.8415 4.8415 6.8926 6.8926 7.6905 7.6905 8.3110 8.3110 8.6000 8.6000 k = 0.6058-0.1055 0.4082 ( 13026 PWs) bands (ev): -25.8613 -25.8613 -25.8586 -25.8586 -16.5609 -16.5609 -9.5871 -9.5871 -9.5633 -9.5633 -9.3557 -9.3557 -9.3161 -9.3161 -9.2713 -9.2713 -9.2622 -9.2622 -5.3499 -5.3499 -3.9492 -3.9492 -3.9056 -3.9056 -2.0360 -2.0360 4.2487 4.2487 4.5494 4.5494 4.8666 4.8666 6.8179 6.8179 7.6498 7.6498 8.3469 8.3469 8.5700 8.5700 k = 0.5962-0.1221 0.4082 ( 13018 PWs) bands (ev): -25.8615 -25.8615 -25.8585 -25.8585 -16.5609 -16.5609 -9.5883 -9.5883 -9.5627 -9.5627 -9.3575 -9.3575 -9.3153 -9.3153 -9.2715 -9.2715 -9.2604 -9.2604 -5.3499 -5.3499 -3.9499 -3.9499 -3.9040 -3.9040 -2.0399 -2.0399 4.2455 4.2455 4.5842 4.5842 4.8927 4.8927 6.7457 6.7457 7.6079 7.6079 8.3830 8.3830 8.5435 8.5435 k = 0.5865-0.1388 0.4082 ( 13018 PWs) bands (ev): -25.8616 -25.8616 -25.8583 -25.8583 -16.5609 -16.5609 -9.5894 -9.5894 -9.5620 -9.5620 -9.3593 -9.3593 -9.3145 -9.3145 -9.2716 -9.2716 -9.2588 -9.2588 -5.3499 -5.3499 -3.9506 -3.9506 -3.9024 -3.9024 -2.0436 -2.0436 4.2409 4.2409 4.6202 4.6202 4.9196 4.9196 6.6762 6.6762 7.5662 7.5662 8.4187 8.4187 8.5208 8.5208 k = 0.5769-0.1554 0.4082 ( 13024 PWs) bands (ev): -25.8618 -25.8618 -25.8582 -25.8582 -16.5610 -16.5610 -9.5904 -9.5904 -9.5614 -9.5614 -9.3609 -9.3609 -9.3138 -9.3138 -9.2717 -9.2717 -9.2572 -9.2572 -5.3499 -5.3499 -3.9513 -3.9513 -3.9008 -3.9008 -2.0471 -2.0471 4.2358 4.2358 4.6559 4.6559 4.9471 4.9471 6.6101 6.6101 7.5259 7.5259 8.4515 8.4515 8.5037 8.5037 k = 0.5673-0.1721 0.4082 ( 13020 PWs) bands (ev): -25.8619 -25.8619 -25.8581 -25.8581 -16.5610 -16.5610 -9.5914 -9.5914 -9.5609 -9.5609 -9.3623 -9.3623 -9.3131 -9.3131 -9.2719 -9.2719 -9.2558 -9.2558 -5.3499 -5.3499 -3.9521 -3.9521 -3.8992 -3.8992 -2.0503 -2.0503 4.2307 4.2307 4.6898 4.6898 4.9749 4.9749 6.5480 6.5480 7.4880 7.4880 8.4661 8.4661 8.5071 8.5071 k = 0.5577-0.1887 0.4082 ( 13004 PWs) bands (ev): -25.8620 -25.8620 -25.8579 -25.8579 -16.5610 -16.5610 -9.5922 -9.5922 -9.5604 -9.5604 -9.3636 -9.3636 -9.3125 -9.3125 -9.2720 -9.2720 -9.2546 -9.2546 -5.3500 -5.3500 -3.9528 -3.9528 -3.8978 -3.8978 -2.0531 -2.0531 4.2258 4.2258 4.7209 4.7209 5.0024 5.0024 6.4905 6.4905 7.4535 7.4535 8.4570 8.4570 8.5360 8.5360 k = 0.5481-0.2054 0.4082 ( 13002 PWs) bands (ev): -25.8621 -25.8621 -25.8579 -25.8579 -16.5610 -16.5610 -9.5929 -9.5929 -9.5600 -9.5600 -9.3647 -9.3647 -9.3120 -9.3120 -9.2721 -9.2721 -9.2536 -9.2536 -5.3500 -5.3500 -3.9535 -3.9535 -3.8965 -3.8965 -2.0556 -2.0556 4.2215 4.2215 4.7483 4.7483 5.0289 5.0289 6.4388 6.4388 7.4231 7.4231 8.4451 8.4451 8.5684 8.5684 k = 0.5385-0.2221 0.4082 ( 12998 PWs) bands (ev): -25.8622 -25.8622 -25.8578 -25.8578 -16.5610 -16.5610 -9.5935 -9.5935 -9.5596 -9.5596 -9.3656 -9.3656 -9.3116 -9.3116 -9.2721 -9.2721 -9.2527 -9.2527 -5.3500 -5.3500 -3.9541 -3.9541 -3.8955 -3.8955 -2.0577 -2.0577 4.2178 4.2178 4.7713 4.7713 5.0533 5.0533 6.3938 6.3938 7.3974 7.3974 8.4347 8.4347 8.5991 8.5992 k = 0.5288-0.2387 0.4082 ( 13016 PWs) bands (ev): -25.8622 -25.8622 -25.8577 -25.8577 -16.5610 -16.5610 -9.5939 -9.5939 -9.5593 -9.5593 -9.3663 -9.3663 -9.3112 -9.3112 -9.2722 -9.2722 -9.2521 -9.2521 -5.3500 -5.3500 -3.9545 -3.9545 -3.8946 -3.8946 -2.0594 -2.0594 4.2149 4.2149 4.7895 4.7895 5.0744 5.0744 6.3569 6.3569 7.3770 7.3770 8.4265 8.4265 8.6252 8.6252 k = 0.5192-0.2554 0.4082 ( 13016 PWs) bands (ev): -25.8623 -25.8623 -25.8577 -25.8577 -16.5610 -16.5610 -9.5942 -9.5942 -9.5591 -9.5591 -9.3668 -9.3668 -9.3110 -9.3110 -9.2722 -9.2722 -9.2516 -9.2516 -5.3501 -5.3501 -3.9549 -3.9549 -3.8940 -3.8940 -2.0606 -2.0606 4.2128 4.2128 4.8026 4.8026 5.0909 5.0909 6.3294 6.3294 7.3621 7.3621 8.4205 8.4205 8.6376 8.6376 k = 0.5096-0.2720 0.4082 ( 13014 PWs) bands (ev): -25.8623 -25.8623 -25.8577 -25.8577 -16.5610 -16.5610 -9.5944 -9.5944 -9.5590 -9.5590 -9.3671 -9.3671 -9.3108 -9.3108 -9.2723 -9.2723 -9.2513 -9.2513 -5.3501 -5.3501 -3.9551 -3.9551 -3.8936 -3.8936 -2.0613 -2.0613 4.2115 4.2115 4.8105 4.8105 5.1013 5.1013 6.3123 6.3123 7.3531 7.3531 8.4168 8.4168 8.6313 8.6313 k = 0.5000-0.2887 0.4082 ( 13024 PWs) bands (ev): -25.8623 -25.8623 -25.8576 -25.8576 -16.5610 -16.5610 -9.5945 -9.5945 -9.5590 -9.5590 -9.3672 -9.3672 -9.3108 -9.3108 -9.2723 -9.2723 -9.2512 -9.2512 -5.3501 -5.3501 -3.9551 -3.9551 -3.8935 -3.8935 -2.0616 -2.0616 4.2111 4.2111 4.8131 4.8131 5.1049 5.1049 6.3065 6.3065 7.3501 7.3501 8.4156 8.4156 8.6282 8.6282 Writing output data file CsK2Sb.save init_run : 0.50s CPU 0.77s WALL ( 1 calls) electrons : 245.38s CPU 248.12s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.05s WALL ( 1 calls) potinit : 0.03s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 245.38s CPU 248.11s 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 : 0.16s CPU 0.20s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.12s CPU 0.19s WALL ( 248 calls) cegterg : 223.98s CPU 225.53s WALL ( 530 calls) Called by sum_band: Called by *egterg: h_psi : 161.69s CPU 162.65s WALL ( 8593 calls) s_psi : 7.14s CPU 7.18s WALL ( 8593 calls) g_psi : 0.58s CPU 0.53s WALL ( 7815 calls) cdiaghg : 38.68s CPU 39.13s WALL ( 8063 calls) cegterg:over : 9.63s CPU 9.69s WALL ( 7815 calls) cegterg:upda : 11.33s CPU 11.68s WALL ( 7815 calls) cegterg:last : 5.09s CPU 5.02s WALL ( 1274 calls) cdiaghg:chol : 2.37s CPU 2.33s WALL ( 8063 calls) cdiaghg:inve : 1.09s CPU 1.17s WALL ( 8063 calls) cdiaghg:para : 2.17s CPU 2.30s WALL ( 16126 calls) Called by h_psi: h_psi:vloc : 141.36s CPU 142.36s WALL ( 8593 calls) h_psi:vnl : 19.80s CPU 19.73s WALL ( 8593 calls) add_vuspsi : 10.94s CPU 10.83s WALL ( 8593 calls) General routines calbec : 8.84s CPU 8.88s WALL ( 8593 calls) fft : 0.01s CPU 0.01s WALL ( 15 calls) fftw : 133.17s CPU 134.25s WALL ( 578896 calls) davcio : 0.22s CPU 0.36s WALL ( 496 calls) Parallel routines fft_scatter : 40.46s CPU 40.98s WALL ( 578911 calls) PWSCF : 4m26.47s CPU 4m54.29s WALL This run was terminated on: 17:33:12 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=