Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 14:26:21 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: ./K3Bi.save/ file Bi.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D 5D renormalized file K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 121 48 13 5278 1332 203 Max 122 49 14 5281 1356 207 Sum 4357 1759 499 190073 48455 7391 bravais-lattice index = 14 lattice parameter (alat) = 11.7656 a.u. unit-cell volume = 1151.6608 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 42.00 number of Kohn-Sham states= 50 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 457.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.765576 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 Bi read from file: /users/gautes/Pseudo/Bi.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 2a6cbf750f457e6adc9554330ec86bb0 Pseudo is Ultrasoft + core correction, Zval = 15.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1283 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 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 atomic species valence mass pseudopotential Bi 15.00 208.98040 Bi( 1.00) K 9.00 39.09830 K( 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= 242 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0041322 k( 2) = ( 0.0138889 -0.0080188 0.0113402), wk = 0.0041322 k( 3) = ( 0.0277778 -0.0160375 0.0226805), wk = 0.0041322 k( 4) = ( 0.0416667 -0.0240563 0.0340207), wk = 0.0041322 k( 5) = ( 0.0555556 -0.0320750 0.0453609), wk = 0.0041322 k( 6) = ( 0.0694444 -0.0400938 0.0567011), wk = 0.0041322 k( 7) = ( 0.0833333 -0.0481125 0.0680414), wk = 0.0041322 k( 8) = ( 0.0972222 -0.0561313 0.0793816), wk = 0.0041322 k( 9) = ( 0.1111111 -0.0641500 0.0907218), wk = 0.0041322 k( 10) = ( 0.1250000 -0.0721688 0.1020621), wk = 0.0041322 k( 11) = ( 0.1388889 -0.0801875 0.1134023), wk = 0.0041322 k( 12) = ( 0.1527778 -0.0882063 0.1247425), wk = 0.0041322 k( 13) = ( 0.1666667 -0.0962250 0.1360828), wk = 0.0041322 k( 14) = ( 0.1805556 -0.1042438 0.1474230), wk = 0.0041322 k( 15) = ( 0.1944444 -0.1122625 0.1587632), wk = 0.0041322 k( 16) = ( 0.2083333 -0.1202813 0.1701035), wk = 0.0041322 k( 17) = ( 0.2222222 -0.1283001 0.1814437), wk = 0.0041322 k( 18) = ( 0.2361111 -0.1363188 0.1927839), wk = 0.0041322 k( 19) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0041322 k( 20) = ( 0.2638889 -0.1523563 0.2154644), wk = 0.0041322 k( 21) = ( 0.2777778 -0.1603751 0.2268046), wk = 0.0041322 k( 22) = ( 0.2916667 -0.1683938 0.2381448), wk = 0.0041322 k( 23) = ( 0.3055556 -0.1764126 0.2494851), wk = 0.0041322 k( 24) = ( 0.3194444 -0.1844313 0.2608253), wk = 0.0041322 k( 25) = ( 0.3333333 -0.1924501 0.2721655), wk = 0.0041322 k( 26) = ( 0.3472222 -0.2004688 0.2835058), wk = 0.0041322 k( 27) = ( 0.3611111 -0.2084876 0.2948460), wk = 0.0041322 k( 28) = ( 0.3750000 -0.2165064 0.3061862), wk = 0.0041322 k( 29) = ( 0.3888889 -0.2245251 0.3175264), wk = 0.0041322 k( 30) = ( 0.4027778 -0.2325439 0.3288667), wk = 0.0041322 k( 31) = ( 0.4166667 -0.2405626 0.3402069), wk = 0.0041322 k( 32) = ( 0.4305556 -0.2485814 0.3515471), wk = 0.0041322 k( 33) = ( 0.4444444 -0.2566001 0.3628874), wk = 0.0041322 k( 34) = ( 0.4583333 -0.2646189 0.3742276), wk = 0.0041322 k( 35) = ( 0.4722222 -0.2726376 0.3855678), wk = 0.0041322 k( 36) = ( 0.4861111 -0.2806564 0.3969081), wk = 0.0041322 k( 37) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0041322 k( 38) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0041322 k( 39) = ( 0.5000000 -0.2726376 0.4195885), wk = 0.0041322 k( 40) = ( 0.5000000 -0.2566001 0.4309288), wk = 0.0041322 k( 41) = ( 0.5000000 -0.2405626 0.4422690), wk = 0.0041322 k( 42) = ( 0.5000000 -0.2245251 0.4536092), wk = 0.0041322 k( 43) = ( 0.5000000 -0.2084876 0.4649494), wk = 0.0041322 k( 44) = ( 0.5000000 -0.1924501 0.4762897), wk = 0.0041322 k( 45) = ( 0.5000000 -0.1764126 0.4876299), wk = 0.0041322 k( 46) = ( 0.5000000 -0.1603751 0.4989701), wk = 0.0041322 k( 47) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0041322 k( 48) = ( 0.5000000 -0.1283001 0.5216506), wk = 0.0041322 k( 49) = ( 0.5000000 -0.1122625 0.5329908), wk = 0.0041322 k( 50) = ( 0.5000000 -0.0962250 0.5443311), wk = 0.0041322 k( 51) = ( 0.5000000 -0.0801875 0.5556713), wk = 0.0041322 k( 52) = ( 0.5000000 -0.0641500 0.5670115), wk = 0.0041322 k( 53) = ( 0.5000000 -0.0481125 0.5783517), wk = 0.0041322 k( 54) = ( 0.5000000 -0.0320750 0.5896920), wk = 0.0041322 k( 55) = ( 0.5000000 -0.0160375 0.6010322), wk = 0.0041322 k( 56) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0041322 k( 57) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0041322 k( 58) = ( 0.4903846 0.0166543 0.6123724), wk = 0.0041322 k( 59) = ( 0.4807692 0.0333087 0.6123724), wk = 0.0041322 k( 60) = ( 0.4711538 0.0499630 0.6123724), wk = 0.0041322 k( 61) = ( 0.4615385 0.0666173 0.6123724), wk = 0.0041322 k( 62) = ( 0.4519231 0.0832717 0.6123724), wk = 0.0041322 k( 63) = ( 0.4423077 0.0999260 0.6123724), wk = 0.0041322 k( 64) = ( 0.4326923 0.1165803 0.6123724), wk = 0.0041322 k( 65) = ( 0.4230769 0.1332347 0.6123724), wk = 0.0041322 k( 66) = ( 0.4134615 0.1498890 0.6123724), wk = 0.0041322 k( 67) = ( 0.4038462 0.1665434 0.6123724), wk = 0.0041322 k( 68) = ( 0.3942308 0.1831977 0.6123724), wk = 0.0041322 k( 69) = ( 0.3846154 0.1998520 0.6123724), wk = 0.0041322 k( 70) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0041322 k( 71) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0041322 k( 72) = ( 0.3651316 0.2108088 0.5962574), wk = 0.0041322 k( 73) = ( 0.3552632 0.2051113 0.5801423), wk = 0.0041322 k( 74) = ( 0.3453947 0.1994137 0.5640272), wk = 0.0041322 k( 75) = ( 0.3355263 0.1937162 0.5479122), wk = 0.0041322 k( 76) = ( 0.3256579 0.1880187 0.5317971), wk = 0.0041322 k( 77) = ( 0.3157895 0.1823211 0.5156821), wk = 0.0041322 k( 78) = ( 0.3059211 0.1766236 0.4995670), wk = 0.0041322 k( 79) = ( 0.2960526 0.1709261 0.4834519), wk = 0.0041322 k( 80) = ( 0.2861842 0.1652285 0.4673369), wk = 0.0041322 k( 81) = ( 0.2763158 0.1595310 0.4512218), wk = 0.0041322 k( 82) = ( 0.2664474 0.1538335 0.4351067), wk = 0.0041322 k( 83) = ( 0.2565789 0.1481359 0.4189917), wk = 0.0041322 k( 84) = ( 0.2467105 0.1424384 0.4028766), wk = 0.0041322 k( 85) = ( 0.2368421 0.1367409 0.3867615), wk = 0.0041322 k( 86) = ( 0.2269737 0.1310433 0.3706465), wk = 0.0041322 k( 87) = ( 0.2171053 0.1253458 0.3545314), wk = 0.0041322 k( 88) = ( 0.2072368 0.1196482 0.3384163), wk = 0.0041322 k( 89) = ( 0.1973684 0.1139507 0.3223013), wk = 0.0041322 k( 90) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0041322 k( 91) = ( 0.1776316 0.1025556 0.2900712), wk = 0.0041322 k( 92) = ( 0.1677632 0.0968581 0.2739561), wk = 0.0041322 k( 93) = ( 0.1578947 0.0911606 0.2578410), wk = 0.0041322 k( 94) = ( 0.1480263 0.0854630 0.2417260), wk = 0.0041322 k( 95) = ( 0.1381579 0.0797655 0.2256109), wk = 0.0041322 k( 96) = ( 0.1282895 0.0740680 0.2094958), wk = 0.0041322 k( 97) = ( 0.1184210 0.0683704 0.1933808), wk = 0.0041322 k( 98) = ( 0.1085526 0.0626729 0.1772657), wk = 0.0041322 k( 99) = ( 0.0986842 0.0569754 0.1611506), wk = 0.0041322 k( 100) = ( 0.0888158 0.0512778 0.1450356), wk = 0.0041322 k( 101) = ( 0.0789474 0.0455803 0.1289205), wk = 0.0041322 k( 102) = ( 0.0690790 0.0398828 0.1128054), wk = 0.0041322 k( 103) = ( 0.0592105 0.0341852 0.0966904), wk = 0.0041322 k( 104) = ( 0.0493421 0.0284877 0.0805753), wk = 0.0041322 k( 105) = ( 0.0394737 0.0227901 0.0644603), wk = 0.0041322 k( 106) = ( 0.0296053 0.0170926 0.0483452), wk = 0.0041322 k( 107) = ( 0.0197368 0.0113951 0.0322301), wk = 0.0041322 k( 108) = ( 0.0098684 0.0056975 0.0161151), wk = 0.0041322 k( 109) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0041322 k( 110) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0041322 k( 111) = ( 0.0161290 0.0093121 0.0065846), wk = 0.0041322 k( 112) = ( 0.0322581 0.0186242 0.0131693), wk = 0.0041322 k( 113) = ( 0.0483871 0.0279363 0.0197540), wk = 0.0041322 k( 114) = ( 0.0645161 0.0372484 0.0263386), wk = 0.0041322 k( 115) = ( 0.0806452 0.0465605 0.0329232), wk = 0.0041322 k( 116) = ( 0.0967742 0.0558726 0.0395079), wk = 0.0041322 k( 117) = ( 0.1129032 0.0651847 0.0460926), wk = 0.0041322 k( 118) = ( 0.1290323 0.0744968 0.0526772), wk = 0.0041322 k( 119) = ( 0.1451613 0.0838089 0.0592618), wk = 0.0041322 k( 120) = ( 0.1612903 0.0931210 0.0658465), wk = 0.0041322 k( 121) = ( 0.1774194 0.1024331 0.0724311), wk = 0.0041322 k( 122) = ( 0.1935484 0.1117452 0.0790158), wk = 0.0041322 k( 123) = ( 0.2096774 0.1210573 0.0856004), wk = 0.0041322 k( 124) = ( 0.2258064 0.1303694 0.0921851), wk = 0.0041322 k( 125) = ( 0.2419355 0.1396815 0.0987697), wk = 0.0041322 k( 126) = ( 0.2580645 0.1489936 0.1053544), wk = 0.0041322 k( 127) = ( 0.2741936 0.1583057 0.1119390), wk = 0.0041322 k( 128) = ( 0.2903226 0.1676178 0.1185237), wk = 0.0041322 k( 129) = ( 0.3064516 0.1769299 0.1251083), wk = 0.0041322 k( 130) = ( 0.3225807 0.1862420 0.1316930), wk = 0.0041322 k( 131) = ( 0.3387097 0.1955541 0.1382776), wk = 0.0041322 k( 132) = ( 0.3548387 0.2048662 0.1448623), wk = 0.0041322 k( 133) = ( 0.3709677 0.2141783 0.1514469), wk = 0.0041322 k( 134) = ( 0.3870968 0.2234904 0.1580316), wk = 0.0041322 k( 135) = ( 0.4032258 0.2328025 0.1646162), wk = 0.0041322 k( 136) = ( 0.4193548 0.2421146 0.1712009), wk = 0.0041322 k( 137) = ( 0.4354839 0.2514267 0.1777855), wk = 0.0041322 k( 138) = ( 0.4516129 0.2607388 0.1843702), wk = 0.0041322 k( 139) = ( 0.4677419 0.2700509 0.1909548), wk = 0.0041322 k( 140) = ( 0.4838710 0.2793630 0.1975395), wk = 0.0041322 k( 141) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0041322 k( 142) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0041322 k( 143) = ( 0.5056818 0.2722731 0.2134025), wk = 0.0041322 k( 144) = ( 0.5113636 0.2558711 0.2226809), wk = 0.0041322 k( 145) = ( 0.5170455 0.2394691 0.2319593), wk = 0.0041322 k( 146) = ( 0.5227273 0.2230671 0.2412376), wk = 0.0041322 k( 147) = ( 0.5284091 0.2066652 0.2505160), wk = 0.0041322 k( 148) = ( 0.5340909 0.1902632 0.2597944), wk = 0.0041322 k( 149) = ( 0.5397727 0.1738612 0.2690727), wk = 0.0041322 k( 150) = ( 0.5454545 0.1574592 0.2783511), wk = 0.0041322 k( 151) = ( 0.5511364 0.1410572 0.2876295), wk = 0.0041322 k( 152) = ( 0.5568182 0.1246552 0.2969078), wk = 0.0041322 k( 153) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0041322 k( 154) = ( 0.5681818 0.0918512 0.3154646), wk = 0.0041322 k( 155) = ( 0.5738636 0.0754492 0.3247430), wk = 0.0041322 k( 156) = ( 0.5795455 0.0590472 0.3340213), wk = 0.0041322 k( 157) = ( 0.5852273 0.0426452 0.3432997), wk = 0.0041322 k( 158) = ( 0.5909091 0.0262432 0.3525781), wk = 0.0041322 k( 159) = ( 0.5965909 0.0098412 0.3618564), wk = 0.0041322 k( 160) = ( 0.6022727 -0.0065608 0.3711348), wk = 0.0041322 k( 161) = ( 0.6079545 -0.0229628 0.3804132), wk = 0.0041322 k( 162) = ( 0.6136364 -0.0393648 0.3896915), wk = 0.0041322 k( 163) = ( 0.6193182 -0.0557668 0.3989699), wk = 0.0041322 k( 164) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0041322 k( 165) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0041322 k( 166) = ( 0.6153846 -0.0666173 0.4239501), wk = 0.0041322 k( 167) = ( 0.6057692 -0.0610659 0.4396520), wk = 0.0041322 k( 168) = ( 0.5961538 -0.0555145 0.4553539), wk = 0.0041322 k( 169) = ( 0.5865385 -0.0499630 0.4710557), wk = 0.0041322 k( 170) = ( 0.5769231 -0.0444116 0.4867576), wk = 0.0041322 k( 171) = ( 0.5673077 -0.0388601 0.5024594), wk = 0.0041322 k( 172) = ( 0.5576923 -0.0333087 0.5181613), wk = 0.0041322 k( 173) = ( 0.5480769 -0.0277572 0.5338632), wk = 0.0041322 k( 174) = ( 0.5384615 -0.0222058 0.5495650), wk = 0.0041322 k( 175) = ( 0.5288462 -0.0166543 0.5652669), wk = 0.0041322 k( 176) = ( 0.5192308 -0.0111029 0.5809687), wk = 0.0041322 k( 177) = ( 0.5096154 -0.0055514 0.5966706), wk = 0.0041322 k( 178) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0041322 k( 179) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0041322 k( 180) = ( 0.5000000 0.0111029 0.5966706), wk = 0.0041322 k( 181) = ( 0.5000000 0.0222058 0.5809687), wk = 0.0041322 k( 182) = ( 0.5000000 0.0333087 0.5652669), wk = 0.0041322 k( 183) = ( 0.5000000 0.0444116 0.5495650), wk = 0.0041322 k( 184) = ( 0.5000000 0.0555144 0.5338632), wk = 0.0041322 k( 185) = ( 0.5000000 0.0666173 0.5181613), wk = 0.0041322 k( 186) = ( 0.5000000 0.0777202 0.5024594), wk = 0.0041322 k( 187) = ( 0.5000000 0.0888231 0.4867576), wk = 0.0041322 k( 188) = ( 0.5000000 0.0999260 0.4710557), wk = 0.0041322 k( 189) = ( 0.5000000 0.1110289 0.4553539), wk = 0.0041322 k( 190) = ( 0.5000000 0.1221318 0.4396520), wk = 0.0041322 k( 191) = ( 0.5000000 0.1332347 0.4239501), wk = 0.0041322 k( 192) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0041322 k( 193) = ( 0.5000000 0.1554405 0.3925464), wk = 0.0041322 k( 194) = ( 0.5000000 0.1665433 0.3768446), wk = 0.0041322 k( 195) = ( 0.5000000 0.1776462 0.3611427), wk = 0.0041322 k( 196) = ( 0.5000000 0.1887491 0.3454409), wk = 0.0041322 k( 197) = ( 0.5000000 0.1998520 0.3297390), wk = 0.0041322 k( 198) = ( 0.5000000 0.2109549 0.3140371), wk = 0.0041322 k( 199) = ( 0.5000000 0.2220578 0.2983353), wk = 0.0041322 k( 200) = ( 0.5000000 0.2331607 0.2826334), wk = 0.0041322 k( 201) = ( 0.5000000 0.2442636 0.2669316), wk = 0.0041322 k( 202) = ( 0.5000000 0.2553665 0.2512297), wk = 0.0041322 k( 203) = ( 0.5000000 0.2664694 0.2355279), wk = 0.0041322 k( 204) = ( 0.5000000 0.2775723 0.2198260), wk = 0.0041322 k( 205) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0041322 k( 206) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0041322 k( 207) = ( 0.4943182 0.2853947 0.2226809), wk = 0.0041322 k( 208) = ( 0.4886364 0.2821143 0.2412376), wk = 0.0041322 k( 209) = ( 0.4829545 0.2788339 0.2597944), wk = 0.0041322 k( 210) = ( 0.4772727 0.2755535 0.2783511), wk = 0.0041322 k( 211) = ( 0.4715909 0.2722731 0.2969078), wk = 0.0041322 k( 212) = ( 0.4659091 0.2689927 0.3154646), wk = 0.0041322 k( 213) = ( 0.4602273 0.2657123 0.3340213), wk = 0.0041322 k( 214) = ( 0.4545455 0.2624319 0.3525781), wk = 0.0041322 k( 215) = ( 0.4488636 0.2591515 0.3711348), wk = 0.0041322 k( 216) = ( 0.4431818 0.2558711 0.3896915), wk = 0.0041322 k( 217) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0041322 k( 218) = ( 0.4318182 0.2493103 0.4268050), wk = 0.0041322 k( 219) = ( 0.4261364 0.2460299 0.4453618), wk = 0.0041322 k( 220) = ( 0.4204545 0.2427495 0.4639185), wk = 0.0041322 k( 221) = ( 0.4147727 0.2394691 0.4824753), wk = 0.0041322 k( 222) = ( 0.4090909 0.2361887 0.5010320), wk = 0.0041322 k( 223) = ( 0.4034091 0.2329083 0.5195887), wk = 0.0041322 k( 224) = ( 0.3977273 0.2296279 0.5381455), wk = 0.0041322 k( 225) = ( 0.3920455 0.2263475 0.5567022), wk = 0.0041322 k( 226) = ( 0.3863636 0.2230672 0.5752590), wk = 0.0041322 k( 227) = ( 0.3806818 0.2197868 0.5938157), wk = 0.0041322 k( 228) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0041322 k( 229) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0041322 k( 230) = ( 0.6153846 -0.0888231 0.4082483), wk = 0.0041322 k( 231) = ( 0.6057692 -0.1054775 0.4082483), wk = 0.0041322 k( 232) = ( 0.5961538 -0.1221318 0.4082483), wk = 0.0041322 k( 233) = ( 0.5865385 -0.1387861 0.4082483), wk = 0.0041322 k( 234) = ( 0.5769231 -0.1554405 0.4082483), wk = 0.0041322 k( 235) = ( 0.5673077 -0.1720948 0.4082483), wk = 0.0041322 k( 236) = ( 0.5576923 -0.1887491 0.4082483), wk = 0.0041322 k( 237) = ( 0.5480769 -0.2054035 0.4082483), wk = 0.0041322 k( 238) = ( 0.5384615 -0.2220578 0.4082483), wk = 0.0041322 k( 239) = ( 0.5288462 -0.2387121 0.4082483), wk = 0.0041322 k( 240) = ( 0.5192308 -0.2553665 0.4082483), wk = 0.0041322 k( 241) = ( 0.5096154 -0.2720208 0.4082483), wk = 0.0041322 k( 242) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0041322 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0041322 k( 2) = ( 0.0138889 -0.0000000 0.0138889), wk = 0.0041322 k( 3) = ( 0.0277778 -0.0000000 0.0277778), wk = 0.0041322 k( 4) = ( 0.0416667 0.0000000 0.0416667), wk = 0.0041322 k( 5) = ( 0.0555556 -0.0000000 0.0555556), wk = 0.0041322 k( 6) = ( 0.0694444 0.0000000 0.0694444), wk = 0.0041322 k( 7) = ( 0.0833333 0.0000000 0.0833333), wk = 0.0041322 k( 8) = ( 0.0972222 -0.0000000 0.0972222), wk = 0.0041322 k( 9) = ( 0.1111111 -0.0000000 0.1111111), wk = 0.0041322 k( 10) = ( 0.1250000 0.0000000 0.1250000), wk = 0.0041322 k( 11) = ( 0.1388889 0.0000000 0.1388889), wk = 0.0041322 k( 12) = ( 0.1527778 -0.0000000 0.1527778), wk = 0.0041322 k( 13) = ( 0.1666667 0.0000000 0.1666667), wk = 0.0041322 k( 14) = ( 0.1805556 0.0000000 0.1805556), wk = 0.0041322 k( 15) = ( 0.1944444 -0.0000000 0.1944444), wk = 0.0041322 k( 16) = ( 0.2083333 -0.0000000 0.2083333), wk = 0.0041322 k( 17) = ( 0.2222222 -0.0000000 0.2222222), wk = 0.0041322 k( 18) = ( 0.2361111 0.0000000 0.2361111), wk = 0.0041322 k( 19) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0041322 k( 20) = ( 0.2638889 0.0000000 0.2638889), wk = 0.0041322 k( 21) = ( 0.2777778 0.0000000 0.2777778), wk = 0.0041322 k( 22) = ( 0.2916667 0.0000000 0.2916667), wk = 0.0041322 k( 23) = ( 0.3055556 -0.0000000 0.3055556), wk = 0.0041322 k( 24) = ( 0.3194444 0.0000000 0.3194444), wk = 0.0041322 k( 25) = ( 0.3333333 0.0000000 0.3333333), wk = 0.0041322 k( 26) = ( 0.3472222 0.0000000 0.3472222), wk = 0.0041322 k( 27) = ( 0.3611111 -0.0000000 0.3611111), wk = 0.0041322 k( 28) = ( 0.3750000 0.0000000 0.3750000), wk = 0.0041322 k( 29) = ( 0.3888889 0.0000000 0.3888889), wk = 0.0041322 k( 30) = ( 0.4027778 0.0000000 0.4027778), wk = 0.0041322 k( 31) = ( 0.4166667 0.0000000 0.4166667), wk = 0.0041322 k( 32) = ( 0.4305556 -0.0000000 0.4305556), wk = 0.0041322 k( 33) = ( 0.4444444 -0.0000000 0.4444444), wk = 0.0041322 k( 34) = ( 0.4583333 0.0000000 0.4583333), wk = 0.0041322 k( 35) = ( 0.4722222 0.0000000 0.4722222), wk = 0.0041322 k( 36) = ( 0.4861111 -0.0000000 0.4861111), wk = 0.0041322 k( 37) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0041322 k( 38) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0041322 k( 39) = ( 0.5000000 0.0138889 0.5138889), wk = 0.0041322 k( 40) = ( 0.5000000 0.0277778 0.5277778), wk = 0.0041322 k( 41) = ( 0.5000000 0.0416667 0.5416667), wk = 0.0041322 k( 42) = ( 0.5000000 0.0555556 0.5555556), wk = 0.0041322 k( 43) = ( 0.5000000 0.0694444 0.5694444), wk = 0.0041322 k( 44) = ( 0.5000000 0.0833333 0.5833333), wk = 0.0041322 k( 45) = ( 0.5000000 0.0972222 0.5972222), wk = 0.0041322 k( 46) = ( 0.5000000 0.1111111 0.6111111), wk = 0.0041322 k( 47) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0041322 k( 48) = ( 0.5000000 0.1388889 0.6388889), wk = 0.0041322 k( 49) = ( 0.5000000 0.1527778 0.6527778), wk = 0.0041322 k( 50) = ( 0.5000000 0.1666667 0.6666667), wk = 0.0041322 k( 51) = ( 0.5000000 0.1805556 0.6805556), wk = 0.0041322 k( 52) = ( 0.5000000 0.1944444 0.6944444), wk = 0.0041322 k( 53) = ( 0.5000000 0.2083333 0.7083333), wk = 0.0041322 k( 54) = ( 0.5000000 0.2222222 0.7222222), wk = 0.0041322 k( 55) = ( 0.5000000 0.2361111 0.7361111), wk = 0.0041322 k( 56) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0041322 k( 57) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0041322 k( 58) = ( 0.4903846 0.2596154 0.7500000), wk = 0.0041322 k( 59) = ( 0.4807692 0.2692308 0.7500000), wk = 0.0041322 k( 60) = ( 0.4711538 0.2788462 0.7500000), wk = 0.0041322 k( 61) = ( 0.4615385 0.2884615 0.7500000), wk = 0.0041322 k( 62) = ( 0.4519231 0.2980769 0.7500000), wk = 0.0041322 k( 63) = ( 0.4423077 0.3076923 0.7500000), wk = 0.0041322 k( 64) = ( 0.4326923 0.3173077 0.7500000), wk = 0.0041322 k( 65) = ( 0.4230769 0.3269231 0.7500000), wk = 0.0041322 k( 66) = ( 0.4134615 0.3365385 0.7500000), wk = 0.0041322 k( 67) = ( 0.4038462 0.3461538 0.7500000), wk = 0.0041322 k( 68) = ( 0.3942308 0.3557692 0.7500000), wk = 0.0041322 k( 69) = ( 0.3846154 0.3653846 0.7500000), wk = 0.0041322 k( 70) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0041322 k( 71) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0041322 k( 72) = ( 0.3651316 0.3651316 0.7302632), wk = 0.0041322 k( 73) = ( 0.3552632 0.3552632 0.7105263), wk = 0.0041322 k( 74) = ( 0.3453947 0.3453947 0.6907895), wk = 0.0041322 k( 75) = ( 0.3355263 0.3355263 0.6710526), wk = 0.0041322 k( 76) = ( 0.3256579 0.3256579 0.6513158), wk = 0.0041322 k( 77) = ( 0.3157895 0.3157895 0.6315790), wk = 0.0041322 k( 78) = ( 0.3059211 0.3059211 0.6118421), wk = 0.0041322 k( 79) = ( 0.2960526 0.2960526 0.5921053), wk = 0.0041322 k( 80) = ( 0.2861842 0.2861842 0.5723684), wk = 0.0041322 k( 81) = ( 0.2763158 0.2763158 0.5526316), wk = 0.0041322 k( 82) = ( 0.2664474 0.2664474 0.5328947), wk = 0.0041322 k( 83) = ( 0.2565789 0.2565789 0.5131579), wk = 0.0041322 k( 84) = ( 0.2467105 0.2467105 0.4934211), wk = 0.0041322 k( 85) = ( 0.2368421 0.2368421 0.4736842), wk = 0.0041322 k( 86) = ( 0.2269737 0.2269737 0.4539474), wk = 0.0041322 k( 87) = ( 0.2171053 0.2171053 0.4342105), wk = 0.0041322 k( 88) = ( 0.2072368 0.2072368 0.4144737), wk = 0.0041322 k( 89) = ( 0.1973684 0.1973684 0.3947368), wk = 0.0041322 k( 90) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0041322 k( 91) = ( 0.1776316 0.1776316 0.3552632), wk = 0.0041322 k( 92) = ( 0.1677632 0.1677632 0.3355263), wk = 0.0041322 k( 93) = ( 0.1578947 0.1578947 0.3157895), wk = 0.0041322 k( 94) = ( 0.1480263 0.1480263 0.2960526), wk = 0.0041322 k( 95) = ( 0.1381579 0.1381579 0.2763158), wk = 0.0041322 k( 96) = ( 0.1282895 0.1282895 0.2565790), wk = 0.0041322 k( 97) = ( 0.1184210 0.1184210 0.2368421), wk = 0.0041322 k( 98) = ( 0.1085526 0.1085526 0.2171053), wk = 0.0041322 k( 99) = ( 0.0986842 0.0986842 0.1973684), wk = 0.0041322 k( 100) = ( 0.0888158 0.0888158 0.1776316), wk = 0.0041322 k( 101) = ( 0.0789474 0.0789474 0.1578947), wk = 0.0041322 k( 102) = ( 0.0690790 0.0690790 0.1381579), wk = 0.0041322 k( 103) = ( 0.0592105 0.0592105 0.1184210), wk = 0.0041322 k( 104) = ( 0.0493421 0.0493421 0.0986842), wk = 0.0041322 k( 105) = ( 0.0394737 0.0394737 0.0789474), wk = 0.0041322 k( 106) = ( 0.0296053 0.0296053 0.0592105), wk = 0.0041322 k( 107) = ( 0.0197368 0.0197368 0.0394737), wk = 0.0041322 k( 108) = ( 0.0098684 0.0098684 0.0197368), wk = 0.0041322 k( 109) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0041322 k( 110) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0041322 k( 111) = ( 0.0161290 0.0161290 0.0161290), wk = 0.0041322 k( 112) = ( 0.0322581 0.0322581 0.0322581), wk = 0.0041322 k( 113) = ( 0.0483871 0.0483871 0.0483871), wk = 0.0041322 k( 114) = ( 0.0645161 0.0645161 0.0645161), wk = 0.0041322 k( 115) = ( 0.0806452 0.0806452 0.0806452), wk = 0.0041322 k( 116) = ( 0.0967742 0.0967742 0.0967742), wk = 0.0041322 k( 117) = ( 0.1129032 0.1129032 0.1129032), wk = 0.0041322 k( 118) = ( 0.1290323 0.1290323 0.1290323), wk = 0.0041322 k( 119) = ( 0.1451613 0.1451613 0.1451613), wk = 0.0041322 k( 120) = ( 0.1612903 0.1612903 0.1612903), wk = 0.0041322 k( 121) = ( 0.1774194 0.1774194 0.1774194), wk = 0.0041322 k( 122) = ( 0.1935484 0.1935484 0.1935484), wk = 0.0041322 k( 123) = ( 0.2096774 0.2096774 0.2096774), wk = 0.0041322 k( 124) = ( 0.2258064 0.2258064 0.2258064), wk = 0.0041322 k( 125) = ( 0.2419355 0.2419355 0.2419355), wk = 0.0041322 k( 126) = ( 0.2580645 0.2580645 0.2580645), wk = 0.0041322 k( 127) = ( 0.2741936 0.2741936 0.2741936), wk = 0.0041322 k( 128) = ( 0.2903226 0.2903226 0.2903226), wk = 0.0041322 k( 129) = ( 0.3064516 0.3064516 0.3064516), wk = 0.0041322 k( 130) = ( 0.3225807 0.3225807 0.3225807), wk = 0.0041322 k( 131) = ( 0.3387097 0.3387097 0.3387097), wk = 0.0041322 k( 132) = ( 0.3548387 0.3548387 0.3548387), wk = 0.0041322 k( 133) = ( 0.3709677 0.3709677 0.3709677), wk = 0.0041322 k( 134) = ( 0.3870968 0.3870968 0.3870968), wk = 0.0041322 k( 135) = ( 0.4032258 0.4032258 0.4032258), wk = 0.0041322 k( 136) = ( 0.4193548 0.4193548 0.4193548), wk = 0.0041322 k( 137) = ( 0.4354839 0.4354839 0.4354839), wk = 0.0041322 k( 138) = ( 0.4516129 0.4516129 0.4516129), wk = 0.0041322 k( 139) = ( 0.4677419 0.4677419 0.4677419), wk = 0.0041322 k( 140) = ( 0.4838710 0.4838710 0.4838710), wk = 0.0041322 k( 141) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0041322 k( 142) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0041322 k( 143) = ( 0.5056818 0.4886364 0.5056818), wk = 0.0041322 k( 144) = ( 0.5113636 0.4772727 0.5113636), wk = 0.0041322 k( 145) = ( 0.5170455 0.4659091 0.5170455), wk = 0.0041322 k( 146) = ( 0.5227273 0.4545455 0.5227273), wk = 0.0041322 k( 147) = ( 0.5284091 0.4431818 0.5284091), wk = 0.0041322 k( 148) = ( 0.5340909 0.4318182 0.5340909), wk = 0.0041322 k( 149) = ( 0.5397727 0.4204545 0.5397727), wk = 0.0041322 k( 150) = ( 0.5454545 0.4090909 0.5454545), wk = 0.0041322 k( 151) = ( 0.5511364 0.3977273 0.5511364), wk = 0.0041322 k( 152) = ( 0.5568182 0.3863636 0.5568182), wk = 0.0041322 k( 153) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0041322 k( 154) = ( 0.5681818 0.3636364 0.5681818), wk = 0.0041322 k( 155) = ( 0.5738636 0.3522727 0.5738636), wk = 0.0041322 k( 156) = ( 0.5795455 0.3409091 0.5795455), wk = 0.0041322 k( 157) = ( 0.5852273 0.3295455 0.5852273), wk = 0.0041322 k( 158) = ( 0.5909091 0.3181818 0.5909091), wk = 0.0041322 k( 159) = ( 0.5965909 0.3068182 0.5965909), wk = 0.0041322 k( 160) = ( 0.6022727 0.2954545 0.6022727), wk = 0.0041322 k( 161) = ( 0.6079545 0.2840909 0.6079546), wk = 0.0041322 k( 162) = ( 0.6136364 0.2727273 0.6136364), wk = 0.0041322 k( 163) = ( 0.6193182 0.2613636 0.6193182), wk = 0.0041322 k( 164) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0041322 k( 165) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0041322 k( 166) = ( 0.6153846 0.2500000 0.6346154), wk = 0.0041322 k( 167) = ( 0.6057692 0.2500000 0.6442308), wk = 0.0041322 k( 168) = ( 0.5961538 0.2500000 0.6538462), wk = 0.0041322 k( 169) = ( 0.5865385 0.2500000 0.6634615), wk = 0.0041322 k( 170) = ( 0.5769231 0.2500000 0.6730769), wk = 0.0041322 k( 171) = ( 0.5673077 0.2500000 0.6826923), wk = 0.0041322 k( 172) = ( 0.5576923 0.2500000 0.6923077), wk = 0.0041322 k( 173) = ( 0.5480769 0.2500000 0.7019231), wk = 0.0041322 k( 174) = ( 0.5384615 0.2500000 0.7115385), wk = 0.0041322 k( 175) = ( 0.5288462 0.2500000 0.7211539), wk = 0.0041322 k( 176) = ( 0.5192308 0.2500000 0.7307692), wk = 0.0041322 k( 177) = ( 0.5096154 0.2500000 0.7403846), wk = 0.0041322 k( 178) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0041322 k( 179) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0041322 k( 180) = ( 0.5000000 0.2596154 0.7403846), wk = 0.0041322 k( 181) = ( 0.5000000 0.2692308 0.7307692), wk = 0.0041322 k( 182) = ( 0.5000000 0.2788462 0.7211538), wk = 0.0041322 k( 183) = ( 0.5000000 0.2884615 0.7115385), wk = 0.0041322 k( 184) = ( 0.5000000 0.2980769 0.7019231), wk = 0.0041322 k( 185) = ( 0.5000000 0.3076923 0.6923077), wk = 0.0041322 k( 186) = ( 0.5000000 0.3173077 0.6826923), wk = 0.0041322 k( 187) = ( 0.5000000 0.3269231 0.6730769), wk = 0.0041322 k( 188) = ( 0.5000000 0.3365385 0.6634615), wk = 0.0041322 k( 189) = ( 0.5000000 0.3461538 0.6538462), wk = 0.0041322 k( 190) = ( 0.5000000 0.3557692 0.6442308), wk = 0.0041322 k( 191) = ( 0.5000000 0.3653846 0.6346154), wk = 0.0041322 k( 192) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0041322 k( 193) = ( 0.5000000 0.3846154 0.6153846), wk = 0.0041322 k( 194) = ( 0.5000000 0.3942308 0.6057692), wk = 0.0041322 k( 195) = ( 0.5000000 0.4038462 0.5961538), wk = 0.0041322 k( 196) = ( 0.5000000 0.4134615 0.5865385), wk = 0.0041322 k( 197) = ( 0.5000000 0.4230769 0.5769231), wk = 0.0041322 k( 198) = ( 0.5000000 0.4326923 0.5673077), wk = 0.0041322 k( 199) = ( 0.5000000 0.4423077 0.5576923), wk = 0.0041322 k( 200) = ( 0.5000000 0.4519231 0.5480769), wk = 0.0041322 k( 201) = ( 0.5000000 0.4615385 0.5384615), wk = 0.0041322 k( 202) = ( 0.5000000 0.4711538 0.5288462), wk = 0.0041322 k( 203) = ( 0.5000000 0.4807692 0.5192308), wk = 0.0041322 k( 204) = ( 0.5000000 0.4903846 0.5096154), wk = 0.0041322 k( 205) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0041322 k( 206) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0041322 k( 207) = ( 0.4943182 0.4943182 0.5113636), wk = 0.0041322 k( 208) = ( 0.4886364 0.4886364 0.5227273), wk = 0.0041322 k( 209) = ( 0.4829545 0.4829545 0.5340909), wk = 0.0041322 k( 210) = ( 0.4772727 0.4772727 0.5454545), wk = 0.0041322 k( 211) = ( 0.4715909 0.4715909 0.5568182), wk = 0.0041322 k( 212) = ( 0.4659091 0.4659091 0.5681818), wk = 0.0041322 k( 213) = ( 0.4602273 0.4602273 0.5795455), wk = 0.0041322 k( 214) = ( 0.4545455 0.4545455 0.5909091), wk = 0.0041322 k( 215) = ( 0.4488636 0.4488636 0.6022727), wk = 0.0041322 k( 216) = ( 0.4431818 0.4431818 0.6136364), wk = 0.0041322 k( 217) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0041322 k( 218) = ( 0.4318182 0.4318182 0.6363636), wk = 0.0041322 k( 219) = ( 0.4261364 0.4261364 0.6477273), wk = 0.0041322 k( 220) = ( 0.4204545 0.4204545 0.6590909), wk = 0.0041322 k( 221) = ( 0.4147727 0.4147727 0.6704545), wk = 0.0041322 k( 222) = ( 0.4090909 0.4090909 0.6818182), wk = 0.0041322 k( 223) = ( 0.4034091 0.4034091 0.6931818), wk = 0.0041322 k( 224) = ( 0.3977273 0.3977273 0.7045455), wk = 0.0041322 k( 225) = ( 0.3920455 0.3920455 0.7159091), wk = 0.0041322 k( 226) = ( 0.3863636 0.3863636 0.7272727), wk = 0.0041322 k( 227) = ( 0.3806818 0.3806818 0.7386364), wk = 0.0041322 k( 228) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0041322 k( 229) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0041322 k( 230) = ( 0.6153846 0.2307692 0.6153846), wk = 0.0041322 k( 231) = ( 0.6057692 0.2115385 0.6057692), wk = 0.0041322 k( 232) = ( 0.5961538 0.1923077 0.5961538), wk = 0.0041322 k( 233) = ( 0.5865385 0.1730769 0.5865385), wk = 0.0041322 k( 234) = ( 0.5769231 0.1538462 0.5769231), wk = 0.0041322 k( 235) = ( 0.5673077 0.1346154 0.5673077), wk = 0.0041322 k( 236) = ( 0.5576923 0.1153846 0.5576923), wk = 0.0041322 k( 237) = ( 0.5480769 0.0961539 0.5480769), wk = 0.0041322 k( 238) = ( 0.5384615 0.0769231 0.5384615), wk = 0.0041322 k( 239) = ( 0.5288462 0.0576923 0.5288462), wk = 0.0041322 k( 240) = ( 0.5192308 0.0384615 0.5192308), wk = 0.0041322 k( 241) = ( 0.5096154 0.0192308 0.5096154), wk = 0.0041322 k( 242) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0041322 Dense grid: 190073 G-vectors FFT dimensions: ( 81, 81, 81) Smooth grid: 48455 G-vectors FFT dimensions: ( 54, 54, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.26 Mb ( 342, 50) NL pseudopotentials 0.35 Mb ( 171, 136) Each V/rho on FFT grid 0.30 Mb ( 19683) Each G-vector array 0.04 Mb ( 5279) G-vector shells 0.01 Mb ( 984) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.04 Mb ( 342, 200) Each subspace H/S matrix 0.04 Mb ( 50, 50) Each matrix 0.21 Mb ( 136, 2, 50) The potential is recalculated from file : ./K3Bi.save/charge-density.dat Starting wfc are 66 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.1 secs Computing kpt #: 2 total cpu time spent up to now is 3.8 secs Computing kpt #: 3 total cpu time spent up to now is 4.5 secs Computing kpt #: 4 total cpu time spent up to now is 5.3 secs Computing kpt #: 5 total cpu time spent up to now is 6.0 secs Computing kpt #: 6 total cpu time spent up to now is 6.7 secs Computing kpt #: 7 total cpu time spent up to now is 7.4 secs Computing kpt #: 8 total cpu time spent up to now is 8.1 secs Computing kpt #: 9 total cpu time spent up to now is 8.8 secs Computing kpt #: 10 total cpu time spent up to now is 9.5 secs Computing kpt #: 11 total cpu time spent up to now is 10.2 secs Computing kpt #: 12 total cpu time spent up to now is 10.9 secs Computing kpt #: 13 total cpu time spent up to now is 11.6 secs Computing kpt #: 14 total cpu time spent up to now is 12.3 secs Computing kpt #: 15 total cpu time spent up to now is 13.0 secs Computing kpt #: 16 total cpu time spent up to now is 13.7 secs Computing kpt #: 17 total cpu time spent up to now is 14.5 secs Computing kpt #: 18 total cpu time spent up to now is 15.3 secs Computing kpt #: 19 total cpu time spent up to now is 16.1 secs Computing kpt #: 20 total cpu time spent up to now is 16.8 secs Computing kpt #: 21 total cpu time spent up to now is 17.6 secs Computing kpt #: 22 total cpu time spent up to now is 18.3 secs Computing kpt #: 23 total cpu time spent up to now is 19.1 secs Computing kpt #: 24 total cpu time spent up to now is 19.8 secs Computing kpt #: 25 total cpu time spent up to now is 20.6 secs Computing kpt #: 26 total cpu time spent up to now is 21.4 secs Computing kpt #: 27 total cpu time spent up to now is 22.2 secs Computing kpt #: 28 total cpu time spent up to now is 23.0 secs Computing kpt #: 29 total cpu time spent up to now is 23.8 secs Computing kpt #: 30 total cpu time spent up to now is 24.7 secs Computing kpt #: 31 total cpu time spent up to now is 25.5 secs Computing kpt #: 32 total cpu time spent up to now is 26.4 secs Computing kpt #: 33 total cpu time spent up to now is 27.3 secs Computing kpt #: 34 total cpu time spent up to now is 28.4 secs Computing kpt #: 35 total cpu time spent up to now is 29.6 secs Computing kpt #: 36 total cpu time spent up to now is 31.0 secs Computing kpt #: 37 total cpu time spent up to now is 32.2 secs Computing kpt #: 38 total cpu time spent up to now is 33.8 secs Computing kpt #: 39 total cpu time spent up to now is 35.0 secs Computing kpt #: 40 total cpu time spent up to now is 36.4 secs Computing kpt #: 41 total cpu time spent up to now is 38.1 secs Computing kpt #: 42 total cpu time spent up to now is 39.7 secs Computing kpt #: 43 total cpu time spent up to now is 41.0 secs Computing kpt #: 44 total cpu time spent up to now is 42.0 secs Computing kpt #: 45 total cpu time spent up to now is 42.8 secs Computing kpt #: 46 total cpu time spent up to now is 43.6 secs Computing kpt #: 47 total cpu time spent up to now is 44.4 secs Computing kpt #: 48 total cpu time spent up to now is 45.1 secs Computing kpt #: 49 total cpu time spent up to now is 45.9 secs Computing kpt #: 50 total cpu time spent up to now is 46.6 secs Computing kpt #: 51 total cpu time spent up to now is 47.3 secs Computing kpt #: 52 total cpu time spent up to now is 48.0 secs Computing kpt #: 53 total cpu time spent up to now is 48.7 secs Computing kpt #: 54 total cpu time spent up to now is 49.4 secs Computing kpt #: 55 total cpu time spent up to now is 50.0 secs Computing kpt #: 56 total cpu time spent up to now is 50.6 secs Computing kpt #: 57 total cpu time spent up to now is 51.2 secs Computing kpt #: 58 total cpu time spent up to now is 51.9 secs Computing kpt #: 59 total cpu time spent up to now is 52.5 secs Computing kpt #: 60 total cpu time spent up to now is 53.2 secs Computing kpt #: 61 total cpu time spent up to now is 53.9 secs Computing kpt #: 62 total cpu time spent up to now is 54.6 secs Computing kpt #: 63 total cpu time spent up to now is 55.3 secs Computing kpt #: 64 total cpu time spent up to now is 56.1 secs Computing kpt #: 65 total cpu time spent up to now is 56.8 secs Computing kpt #: 66 total cpu time spent up to now is 57.5 secs Computing kpt #: 67 total cpu time spent up to now is 58.2 secs Computing kpt #: 68 total cpu time spent up to now is 59.0 secs Computing kpt #: 69 total cpu time spent up to now is 59.7 secs Computing kpt #: 70 total cpu time spent up to now is 60.5 secs Computing kpt #: 71 total cpu time spent up to now is 61.2 secs Computing kpt #: 72 total cpu time spent up to now is 62.0 secs Computing kpt #: 73 total cpu time spent up to now is 62.7 secs Computing kpt #: 74 total cpu time spent up to now is 63.4 secs Computing kpt #: 75 total cpu time spent up to now is 64.2 secs Computing kpt #: 76 total cpu time spent up to now is 65.0 secs Computing kpt #: 77 total cpu time spent up to now is 65.7 secs Computing kpt #: 78 total cpu time spent up to now is 66.5 secs Computing kpt #: 79 total cpu time spent up to now is 67.2 secs Computing kpt #: 80 total cpu time spent up to now is 67.9 secs Computing kpt #: 81 total cpu time spent up to now is 68.6 secs Computing kpt #: 82 total cpu time spent up to now is 69.3 secs Computing kpt #: 83 total cpu time spent up to now is 69.9 secs Computing kpt #: 84 total cpu time spent up to now is 70.6 secs Computing kpt #: 85 total cpu time spent up to now is 71.3 secs Computing kpt #: 86 total cpu time spent up to now is 72.0 secs Computing kpt #: 87 total cpu time spent up to now is 72.7 secs Computing kpt #: 88 total cpu time spent up to now is 73.4 secs Computing kpt #: 89 total cpu time spent up to now is 74.1 secs Computing kpt #: 90 total cpu time spent up to now is 74.8 secs Computing kpt #: 91 total cpu time spent up to now is 75.4 secs Computing kpt #: 92 total cpu time spent up to now is 76.1 secs Computing kpt #: 93 total cpu time spent up to now is 76.8 secs Computing kpt #: 94 total cpu time spent up to now is 77.4 secs Computing kpt #: 95 total cpu time spent up to now is 78.0 secs Computing kpt #: 96 total cpu time spent up to now is 78.7 secs Computing kpt #: 97 total cpu time spent up to now is 79.4 secs Computing kpt #: 98 total cpu time spent up to now is 80.1 secs Computing kpt #: 99 total cpu time spent up to now is 80.9 secs Computing kpt #: 100 total cpu time spent up to now is 81.6 secs Computing kpt #: 101 total cpu time spent up to now is 82.3 secs Computing kpt #: 102 total cpu time spent up to now is 83.0 secs Computing kpt #: 103 total cpu time spent up to now is 83.7 secs Computing kpt #: 104 total cpu time spent up to now is 84.4 secs Computing kpt #: 105 total cpu time spent up to now is 85.1 secs Computing kpt #: 106 total cpu time spent up to now is 85.8 secs Computing kpt #: 107 total cpu time spent up to now is 86.5 secs Computing kpt #: 108 total cpu time spent up to now is 87.1 secs Computing kpt #: 109 total cpu time spent up to now is 87.8 secs Computing kpt #: 110 total cpu time spent up to now is 88.5 secs Computing kpt #: 111 total cpu time spent up to now is 89.2 secs Computing kpt #: 112 total cpu time spent up to now is 89.9 secs Computing kpt #: 113 total cpu time spent up to now is 90.6 secs Computing kpt #: 114 total cpu time spent up to now is 91.3 secs Computing kpt #: 115 total cpu time spent up to now is 92.0 secs Computing kpt #: 116 total cpu time spent up to now is 92.7 secs Computing kpt #: 117 total cpu time spent up to now is 93.3 secs Computing kpt #: 118 total cpu time spent up to now is 94.0 secs Computing kpt #: 119 total cpu time spent up to now is 94.7 secs Computing kpt #: 120 total cpu time spent up to now is 95.4 secs Computing kpt #: 121 total cpu time spent up to now is 96.1 secs Computing kpt #: 122 total cpu time spent up to now is 96.8 secs Computing kpt #: 123 total cpu time spent up to now is 97.5 secs Computing kpt #: 124 total cpu time spent up to now is 98.2 secs Computing kpt #: 125 total cpu time spent up to now is 98.9 secs Computing kpt #: 126 total cpu time spent up to now is 99.5 secs Computing kpt #: 127 total cpu time spent up to now is 100.2 secs Computing kpt #: 128 total cpu time spent up to now is 100.9 secs Computing kpt #: 129 total cpu time spent up to now is 101.6 secs Computing kpt #: 130 total cpu time spent up to now is 102.3 secs Computing kpt #: 131 total cpu time spent up to now is 103.0 secs Computing kpt #: 132 total cpu time spent up to now is 103.7 secs Computing kpt #: 133 total cpu time spent up to now is 104.4 secs Computing kpt #: 134 total cpu time spent up to now is 105.1 secs Computing kpt #: 135 total cpu time spent up to now is 105.7 secs Computing kpt #: 136 total cpu time spent up to now is 106.3 secs Computing kpt #: 137 total cpu time spent up to now is 106.9 secs Computing kpt #: 138 total cpu time spent up to now is 107.5 secs Computing kpt #: 139 total cpu time spent up to now is 108.1 secs Computing kpt #: 140 total cpu time spent up to now is 108.7 secs Computing kpt #: 141 total cpu time spent up to now is 109.3 secs Computing kpt #: 142 total cpu time spent up to now is 110.0 secs Computing kpt #: 143 total cpu time spent up to now is 110.6 secs Computing kpt #: 144 total cpu time spent up to now is 111.2 secs Computing kpt #: 145 total cpu time spent up to now is 111.9 secs Computing kpt #: 146 total cpu time spent up to now is 112.6 secs Computing kpt #: 147 total cpu time spent up to now is 113.3 secs Computing kpt #: 148 total cpu time spent up to now is 114.0 secs Computing kpt #: 149 total cpu time spent up to now is 114.7 secs Computing kpt #: 150 total cpu time spent up to now is 115.4 secs Computing kpt #: 151 total cpu time spent up to now is 116.1 secs Computing kpt #: 152 total cpu time spent up to now is 116.8 secs Computing kpt #: 153 total cpu time spent up to now is 117.5 secs Computing kpt #: 154 total cpu time spent up to now is 118.2 secs Computing kpt #: 155 total cpu time spent up to now is 118.9 secs Computing kpt #: 156 total cpu time spent up to now is 119.6 secs Computing kpt #: 157 total cpu time spent up to now is 120.3 secs Computing kpt #: 158 total cpu time spent up to now is 121.0 secs Computing kpt #: 159 total cpu time spent up to now is 121.7 secs Computing kpt #: 160 total cpu time spent up to now is 122.5 secs Computing kpt #: 161 total cpu time spent up to now is 123.2 secs Computing kpt #: 162 total cpu time spent up to now is 123.9 secs Computing kpt #: 163 total cpu time spent up to now is 124.6 secs Computing kpt #: 164 total cpu time spent up to now is 125.4 secs Computing kpt #: 165 total cpu time spent up to now is 126.1 secs Computing kpt #: 166 total cpu time spent up to now is 126.9 secs Computing kpt #: 167 total cpu time spent up to now is 127.9 secs Computing kpt #: 168 total cpu time spent up to now is 128.9 secs Computing kpt #: 169 total cpu time spent up to now is 129.6 secs Computing kpt #: 170 total cpu time spent up to now is 130.3 secs Computing kpt #: 171 total cpu time spent up to now is 131.1 secs Computing kpt #: 172 total cpu time spent up to now is 131.8 secs Computing kpt #: 173 total cpu time spent up to now is 132.5 secs Computing kpt #: 174 total cpu time spent up to now is 133.2 secs Computing kpt #: 175 total cpu time spent up to now is 133.8 secs Computing kpt #: 176 total cpu time spent up to now is 134.5 secs Computing kpt #: 177 total cpu time spent up to now is 135.2 secs Computing kpt #: 178 total cpu time spent up to now is 135.9 secs Computing kpt #: 179 total cpu time spent up to now is 136.5 secs Computing kpt #: 180 total cpu time spent up to now is 137.2 secs Computing kpt #: 181 total cpu time spent up to now is 137.8 secs Computing kpt #: 182 total cpu time spent up to now is 138.5 secs Computing kpt #: 183 total cpu time spent up to now is 139.2 secs Computing kpt #: 184 total cpu time spent up to now is 139.9 secs Computing kpt #: 185 total cpu time spent up to now is 140.7 secs Computing kpt #: 186 total cpu time spent up to now is 141.4 secs Computing kpt #: 187 total cpu time spent up to now is 142.1 secs Computing kpt #: 188 total cpu time spent up to now is 142.9 secs Computing kpt #: 189 total cpu time spent up to now is 143.6 secs Computing kpt #: 190 total cpu time spent up to now is 144.3 secs Computing kpt #: 191 total cpu time spent up to now is 145.0 secs Computing kpt #: 192 total cpu time spent up to now is 145.7 secs Computing kpt #: 193 total cpu time spent up to now is 146.5 secs Computing kpt #: 194 total cpu time spent up to now is 147.2 secs Computing kpt #: 195 total cpu time spent up to now is 147.9 secs Computing kpt #: 196 total cpu time spent up to now is 148.6 secs Computing kpt #: 197 total cpu time spent up to now is 149.3 secs Computing kpt #: 198 total cpu time spent up to now is 150.0 secs Computing kpt #: 199 total cpu time spent up to now is 150.7 secs Computing kpt #: 200 total cpu time spent up to now is 151.4 secs Computing kpt #: 201 total cpu time spent up to now is 152.1 secs Computing kpt #: 202 total cpu time spent up to now is 152.8 secs Computing kpt #: 203 total cpu time spent up to now is 153.4 secs Computing kpt #: 204 total cpu time spent up to now is 154.0 secs Computing kpt #: 205 total cpu time spent up to now is 154.6 secs Computing kpt #: 206 total cpu time spent up to now is 155.1 secs Computing kpt #: 207 total cpu time spent up to now is 155.7 secs Computing kpt #: 208 total cpu time spent up to now is 156.3 secs Computing kpt #: 209 total cpu time spent up to now is 157.0 secs Computing kpt #: 210 total cpu time spent up to now is 157.7 secs Computing kpt #: 211 total cpu time spent up to now is 158.4 secs Computing kpt #: 212 total cpu time spent up to now is 159.1 secs Computing kpt #: 213 total cpu time spent up to now is 159.8 secs Computing kpt #: 214 total cpu time spent up to now is 160.5 secs Computing kpt #: 215 total cpu time spent up to now is 161.2 secs Computing kpt #: 216 total cpu time spent up to now is 162.0 secs Computing kpt #: 217 total cpu time spent up to now is 162.7 secs Computing kpt #: 218 total cpu time spent up to now is 163.4 secs Computing kpt #: 219 total cpu time spent up to now is 164.1 secs Computing kpt #: 220 total cpu time spent up to now is 164.8 secs Computing kpt #: 221 total cpu time spent up to now is 165.5 secs Computing kpt #: 222 total cpu time spent up to now is 166.2 secs Computing kpt #: 223 total cpu time spent up to now is 166.9 secs Computing kpt #: 224 total cpu time spent up to now is 167.6 secs Computing kpt #: 225 total cpu time spent up to now is 168.3 secs Computing kpt #: 226 total cpu time spent up to now is 169.1 secs Computing kpt #: 227 total cpu time spent up to now is 169.8 secs Computing kpt #: 228 total cpu time spent up to now is 170.5 secs Computing kpt #: 229 total cpu time spent up to now is 171.3 secs Computing kpt #: 230 total cpu time spent up to now is 172.1 secs Computing kpt #: 231 total cpu time spent up to now is 172.8 secs Computing kpt #: 232 total cpu time spent up to now is 173.6 secs Computing kpt #: 233 total cpu time spent up to now is 174.5 secs Computing kpt #: 234 total cpu time spent up to now is 175.5 secs Computing kpt #: 235 total cpu time spent up to now is 176.7 secs Computing kpt #: 236 total cpu time spent up to now is 177.5 secs Computing kpt #: 237 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 179.4 secs Computing kpt #: 238 total cpu time spent up to now is 181.1 secs Computing kpt #: 239 total cpu time spent up to now is 182.6 secs Computing kpt #: 240 total cpu time spent up to now is 184.0 secs Computing kpt #: 241 total cpu time spent up to now is 185.5 secs Computing kpt #: 242 total cpu time spent up to now is 186.5 secs ethr = 2.38E-08, avg # of iterations = 28.7 total cpu time spent up to now is 186.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5985 PWs) bands (ev): -27.3062 -27.3062 -26.4531 -26.4531 -26.4440 -26.4440 -18.0331 -18.0331 -18.0331 -18.0331 -15.0532 -15.0532 -15.0486 -15.0486 -15.0486 -15.0486 -10.9845 -10.9845 -10.7198 -10.7198 -10.7198 -10.7198 -10.1652 -10.1652 -10.1025 -10.1025 -9.9030 -9.9030 -9.9030 -9.9030 -9.8356 -9.8356 -9.8356 -9.8356 -4.4054 -4.4054 3.2784 3.2784 4.3801 4.3801 4.7140 4.7140 4.7140 4.7140 7.1649 7.1649 7.1649 7.1649 7.7318 7.7318 k = 0.0139-0.0080 0.0113 ( 6009 PWs) bands (ev): -27.3063 -27.3063 -26.4531 -26.4531 -26.4441 -26.4441 -18.0331 -18.0331 -18.0331 -18.0331 -15.0532 -15.0532 -15.0486 -15.0486 -15.0486 -15.0486 -10.9846 -10.9846 -10.7199 -10.7199 -10.7199 -10.7199 -10.1652 -10.1652 -10.1025 -10.1025 -9.9030 -9.9030 -9.9029 -9.9029 -9.8358 -9.8358 -9.8356 -9.8356 -4.4052 -4.4052 3.2765 3.2765 4.3694 4.3694 4.7137 4.7137 4.7287 4.7287 7.1656 7.1656 7.1662 7.1662 7.7310 7.7310 k = 0.0278-0.0160 0.0227 ( 6038 PWs) bands (ev): -27.3063 -27.3063 -26.4531 -26.4531 -26.4441 -26.4441 -18.0331 -18.0331 -18.0331 -18.0331 -15.0532 -15.0532 -15.0486 -15.0486 -15.0486 -15.0486 -10.9846 -10.9846 -10.7200 -10.7200 -10.7199 -10.7199 -10.1650 -10.1650 -10.1027 -10.1027 -9.9030 -9.9030 -9.9027 -9.9027 -9.8362 -9.8362 -9.8356 -9.8356 -4.4046 -4.4046 3.2709 3.2709 4.3417 4.3417 4.7125 4.7125 4.7678 4.7678 7.1675 7.1675 7.1700 7.1700 7.7220 7.7220 k = 0.0417-0.0241 0.0340 ( 6050 PWs) bands (ev): -27.3063 -27.3063 -26.4531 -26.4531 -26.4442 -26.4442 -18.0331 -18.0331 -18.0331 -18.0331 -15.0532 -15.0532 -15.0486 -15.0486 -15.0486 -15.0486 -10.9847 -10.9847 -10.7202 -10.7202 -10.7199 -10.7199 -10.1647 -10.1647 -10.1030 -10.1030 -9.9029 -9.9029 -9.9022 -9.9022 -9.8368 -9.8368 -9.8356 -9.8356 -4.4034 -4.4034 3.2616 3.2616 4.3054 4.3054 4.7107 4.7107 4.8232 4.8232 7.1705 7.1705 7.1764 7.1764 7.7026 7.7026 k = 0.0556-0.0321 0.0454 ( 6066 PWs) bands (ev): -27.3063 -27.3063 -26.4531 -26.4531 -26.4442 -26.4442 -18.0331 -18.0331 -18.0331 -18.0331 -15.0532 -15.0532 -15.0487 -15.0487 -15.0486 -15.0486 -10.9847 -10.9847 -10.7205 -10.7205 -10.7199 -10.7199 -10.1642 -10.1642 -10.1035 -10.1035 -9.9029 -9.9029 -9.9015 -9.9015 -9.8376 -9.8376 -9.8357 -9.8357 -4.4019 -4.4019 3.2489 3.2489 4.2663 4.2663 4.7081 4.7081 4.8887 4.8887 7.1742 7.1742 7.1853 7.1853 7.6751 7.6751 k = 0.0694-0.0401 0.0567 ( 6070 PWs) bands (ev): -27.3063 -27.3063 -26.4530 -26.4530 -26.4443 -26.4443 -18.0331 -18.0331 -18.0331 -18.0331 -15.0532 -15.0532 -15.0486 -15.0486 -15.0486 -15.0486 -10.9848 -10.9848 -10.7208 -10.7208 -10.7200 -10.7200 -10.1637 -10.1637 -10.1041 -10.1041 -9.9028 -9.9028 -9.9007 -9.9007 -9.8387 -9.8387 -9.8357 -9.8357 -4.3999 -4.3999 3.2330 3.2330 4.2276 4.2276 4.7049 4.7049 4.9607 4.9607 7.1783 7.1783 7.1968 7.1968 7.6405 7.6405 k = 0.0833-0.0481 0.0680 ( 6070 PWs) bands (ev): -27.3063 -27.3063 -26.4530 -26.4530 -26.4443 -26.4443 -18.0331 -18.0331 -18.0331 -18.0331 -15.0532 -15.0532 -15.0486 -15.0486 -15.0486 -15.0486 -10.9848 -10.9848 -10.7211 -10.7211 -10.7200 -10.7200 -10.1630 -10.1630 -10.1047 -10.1047 -9.9026 -9.9026 -9.8997 -9.8997 -9.8400 -9.8400 -9.8356 -9.8356 -4.3976 -4.3976 3.2143 3.2143 4.1907 4.1907 4.7010 4.7010 5.0372 5.0372 7.1822 7.1822 7.2107 7.2107 7.5997 7.5997 k = 0.0972-0.0561 0.0794 ( 6074 PWs) bands (ev): -27.3062 -27.3062 -26.4529 -26.4529 -26.4444 -26.4444 -18.0331 -18.0331 -18.0331 -18.0331 -15.0532 -15.0532 -15.0486 -15.0486 -15.0486 -15.0486 -10.9849 -10.9849 -10.7216 -10.7216 -10.7200 -10.7200 -10.1621 -10.1621 -10.1055 -10.1055 -9.9025 -9.9025 -9.8985 -9.8985 -9.8416 -9.8416 -9.8356 -9.8356 -4.3949 -4.3949 3.1931 3.1931 4.1566 4.1566 4.6965 4.6965 5.1169 5.1169 7.1852 7.1852 7.2273 7.2273 7.5535 7.5535 k = 0.1111-0.0642 0.0907 ( 6066 PWs) bands (ev): -27.3062 -27.3062 -26.4529 -26.4529 -26.4445 -26.4445 -18.0331 -18.0331 -18.0331 -18.0331 -15.0532 -15.0532 -15.0486 -15.0486 -15.0486 -15.0486 -10.9849 -10.9849 -10.7220 -10.7220 -10.7199 -10.7199 -10.1612 -10.1612 -10.1064 -10.1064 -9.9023 -9.9023 -9.8972 -9.8972 -9.8432 -9.8432 -9.8356 -9.8356 -4.3918 -4.3918 3.1700 3.1700 4.1255 4.1255 4.6915 4.6915 5.1988 5.1988 7.1868 7.1868 7.2463 7.2463 7.5026 7.5026 k = 0.1250-0.0722 0.1021 ( 6066 PWs) bands (ev): -27.3062 -27.3062 -26.4528 -26.4528 -26.4446 -26.4446 -18.0331 -18.0331 -18.0331 -18.0331 -15.0531 -15.0531 -15.0486 -15.0486 -15.0486 -15.0486 -10.9850 -10.9850 -10.7226 -10.7226 -10.7199 -10.7199 -10.1602 -10.1602 -10.1074 -10.1074 -9.9022 -9.9022 -9.8957 -9.8957 -9.8451 -9.8451 -9.8356 -9.8356 -4.3884 -4.3884 3.1454 3.1454 4.0975 4.0975 4.6860 4.6860 5.2819 5.2819 7.1862 7.1862 7.2677 7.2677 7.4481 7.4481 k = 0.1389-0.0802 0.1134 ( 6062 PWs) bands (ev): -27.3062 -27.3062 -26.4527 -26.4527 -26.4447 -26.4447 -18.0331 -18.0331 -18.0331 -18.0331 -15.0531 -15.0531 -15.0486 -15.0486 -15.0486 -15.0486 -10.9851 -10.9851 -10.7231 -10.7231 -10.7199 -10.7199 -10.1591 -10.1591 -10.1085 -10.1085 -9.9020 -9.9020 -9.8940 -9.8940 -9.8471 -9.8471 -9.8356 -9.8356 -4.3848 -4.3848 3.1199 3.1199 4.0724 4.0724 4.6801 4.6801 5.3656 5.3656 7.1829 7.1829 7.2913 7.2913 7.3908 7.3908 k = 0.1528-0.0882 0.1247 ( 6062 PWs) bands (ev): -27.3061 -27.3061 -26.4526 -26.4526 -26.4448 -26.4448 -18.0331 -18.0331 -18.0331 -18.0331 -15.0531 -15.0531 -15.0486 -15.0486 -15.0486 -15.0486 -10.9852 -10.9852 -10.7237 -10.7237 -10.7199 -10.7199 -10.1579 -10.1579 -10.1097 -10.1097 -9.9018 -9.9018 -9.8922 -9.8922 -9.8492 -9.8492 -9.8356 -9.8356 -4.3809 -4.3809 3.0939 3.0939 4.0502 4.0502 4.6738 4.6738 5.4491 5.4491 7.1764 7.1764 7.3125 7.3125 7.3362 7.3362 k = 0.1667-0.0962 0.1361 ( 6066 PWs) bands (ev): -27.3061 -27.3061 -26.4525 -26.4525 -26.4449 -26.4449 -18.0331 -18.0331 -18.0331 -18.0331 -15.0531 -15.0531 -15.0486 -15.0486 -15.0486 -15.0486 -10.9853 -10.9853 -10.7244 -10.7244 -10.7199 -10.7199 -10.1566 -10.1566 -10.1110 -10.1110 -9.9016 -9.9016 -9.8903 -9.8903 -9.8515 -9.8515 -9.8356 -9.8356 -4.3768 -4.3768 3.0679 3.0679 4.0305 4.0305 4.6672 4.6672 5.5313 5.5313 7.1667 7.1667 7.2663 7.2663 7.3497 7.3497 k = 0.1806-0.1042 0.1474 ( 6066 PWs) bands (ev): -27.3061 -27.3061 -26.4525 -26.4525 -26.4450 -26.4450 -18.0331 -18.0331 -18.0330 -18.0330 -15.0530 -15.0530 -15.0486 -15.0486 -15.0485 -15.0485 -10.9854 -10.9854 -10.7251 -10.7251 -10.7199 -10.7199 -10.1553 -10.1553 -10.1124 -10.1124 -9.9014 -9.9014 -9.8883 -9.8883 -9.8538 -9.8538 -9.8356 -9.8356 -4.3725 -4.3725 3.0423 3.0423 4.0133 4.0133 4.6604 4.6604 5.6114 5.6114 7.1541 7.1541 7.2042 7.2042 7.3806 7.3806 k = 0.1944-0.1123 0.1588 ( 6058 PWs) bands (ev): -27.3060 -27.3060 -26.4524 -26.4524 -26.4452 -26.4452 -18.0331 -18.0331 -18.0330 -18.0330 -15.0530 -15.0530 -15.0486 -15.0486 -15.0485 -15.0485 -10.9855 -10.9855 -10.7258 -10.7258 -10.7199 -10.7199 -10.1539 -10.1539 -10.1139 -10.1139 -9.9011 -9.9011 -9.8862 -9.8862 -9.8562 -9.8562 -9.8356 -9.8356 -4.3681 -4.3681 3.0175 3.0175 3.9982 3.9982 4.6534 4.6534 5.6880 5.6880 7.1396 7.1396 7.1412 7.1412 7.4146 7.4146 k = 0.2083-0.1203 0.1701 ( 6058 PWs) bands (ev): -27.3060 -27.3060 -26.4523 -26.4523 -26.4453 -26.4453 -18.0331 -18.0331 -18.0330 -18.0330 -15.0530 -15.0530 -15.0486 -15.0486 -15.0485 -15.0485 -10.9856 -10.9856 -10.7266 -10.7266 -10.7199 -10.7199 -10.1525 -10.1525 -10.1154 -10.1154 -9.9009 -9.9009 -9.8840 -9.8840 -9.8586 -9.8586 -9.8357 -9.8357 -4.3635 -4.3635 2.9937 2.9937 3.9851 3.9851 4.6463 4.6463 5.7596 5.7596 7.0781 7.0781 7.1246 7.1246 7.4511 7.4511 k = 0.2222-0.1283 0.1814 ( 6066 PWs) bands (ev): -27.3060 -27.3060 -26.4522 -26.4522 -26.4454 -26.4454 -18.0331 -18.0331 -18.0330 -18.0330 -15.0530 -15.0530 -15.0486 -15.0486 -15.0485 -15.0485 -10.9858 -10.9858 -10.7273 -10.7273 -10.7199 -10.7199 -10.1511 -10.1511 -10.1170 -10.1170 -9.9007 -9.9007 -9.8818 -9.8818 -9.8611 -9.8611 -9.8357 -9.8357 -4.3590 -4.3590 2.9714 2.9714 3.9738 3.9738 4.6392 4.6392 5.8244 5.8244 7.0155 7.0155 7.1113 7.1113 7.4901 7.4901 k = 0.2361-0.1363 0.1928 ( 6062 PWs) bands (ev): -27.3059 -27.3059 -26.4521 -26.4521 -26.4456 -26.4456 -18.0331 -18.0331 -18.0330 -18.0330 -15.0529 -15.0529 -15.0486 -15.0486 -15.0485 -15.0485 -10.9859 -10.9859 -10.7281 -10.7281 -10.7199 -10.7199 -10.1496 -10.1496 -10.1186 -10.1186 -9.9005 -9.9005 -9.8795 -9.8795 -9.8636 -9.8636 -9.8358 -9.8358 -4.3544 -4.3544 2.9506 2.9506 3.9641 3.9641 4.6321 4.6321 5.8802 5.8802 6.9538 6.9538 7.1023 7.1023 7.5315 7.5315 k = 0.2500-0.1443 0.2041 ( 6102 PWs) bands (ev): -27.3059 -27.3059 -26.4520 -26.4520 -26.4458 -26.4458 -18.0331 -18.0331 -18.0330 -18.0330 -15.0529 -15.0529 -15.0486 -15.0486 -15.0485 -15.0485 -10.9860 -10.9860 -10.7289 -10.7289 -10.7199 -10.7199 -10.1482 -10.1482 -10.1203 -10.1203 -9.9003 -9.9003 -9.8772 -9.8772 -9.8660 -9.8660 -9.8358 -9.8358 -4.3498 -4.3498 2.9316 2.9316 3.9560 3.9560 4.6250 4.6250 5.9248 5.9248 6.8934 6.8934 7.1006 7.1006 7.5754 7.5754 k = 0.2639-0.1524 0.2155 ( 6086 PWs) bands (ev): -27.3059 -27.3059 -26.4518 -26.4518 -26.4459 -26.4459 -18.0331 -18.0331 -18.0330 -18.0330 -15.0529 -15.0529 -15.0486 -15.0486 -15.0485 -15.0485 -10.9861 -10.9861 -10.7297 -10.7297 -10.7199 -10.7199 -10.1468 -10.1468 -10.1220 -10.1220 -9.9001 -9.9001 -9.8748 -9.8748 -9.8684 -9.8684 -9.8359 -9.8359 -4.3453 -4.3453 2.9144 2.9144 3.9492 3.9492 4.6180 4.6180 5.9563 5.9563 6.8348 6.8348 7.1090 7.1090 7.6217 7.6217 k = 0.2778-0.1604 0.2268 ( 6086 PWs) bands (ev): -27.3058 -27.3058 -26.4517 -26.4517 -26.4460 -26.4460 -18.0330 -18.0330 -18.0330 -18.0330 -15.0529 -15.0529 -15.0486 -15.0486 -15.0484 -15.0484 -10.9863 -10.9863 -10.7305 -10.7305 -10.7198 -10.7198 -10.1453 -10.1453 -10.1237 -10.1237 -9.8999 -9.8999 -9.8725 -9.8725 -9.8708 -9.8708 -9.8359 -9.8359 -4.3409 -4.3409 2.8991 2.8991 3.9438 3.9438 4.6113 4.6113 5.9734 5.9734 6.7781 6.7781 7.1296 7.1296 7.6703 7.6703 k = 0.2917-0.1684 0.2381 ( 6086 PWs) bands (ev): -27.3058 -27.3058 -26.4516 -26.4516 -26.4462 -26.4462 -18.0330 -18.0330 -18.0330 -18.0330 -15.0528 -15.0528 -15.0486 -15.0486 -15.0484 -15.0484 -10.9864 -10.9864 -10.7312 -10.7312 -10.7198 -10.7198 -10.1439 -10.1439 -10.1255 -10.1255 -9.8997 -9.8997 -9.8731 -9.8731 -9.8702 -9.8702 -9.8360 -9.8360 -4.3366 -4.3366 2.8857 2.8857 3.9396 3.9396 4.6047 4.6047 5.9759 5.9759 6.7237 6.7237 7.1633 7.1633 7.7213 7.7213 k = 0.3056-0.1764 0.2495 ( 6086 PWs) bands (ev): -27.3058 -27.3058 -26.4515 -26.4515 -26.4463 -26.4463 -18.0330 -18.0330 -18.0330 -18.0330 -15.0528 -15.0528 -15.0486 -15.0486 -15.0484 -15.0484 -10.9865 -10.9865 -10.7320 -10.7320 -10.7198 -10.7198 -10.1425 -10.1425 -10.1272 -10.1272 -9.8995 -9.8995 -9.8753 -9.8753 -9.8679 -9.8679 -9.8360 -9.8360 -4.3325 -4.3325 2.8742 2.8742 3.9366 3.9366 4.5984 4.5984 5.9652 5.9652 6.6718 6.6718 7.2097 7.2097 7.7746 7.7746 k = 0.3194-0.1844 0.2608 ( 6090 PWs) bands (ev): -27.3057 -27.3057 -26.4514 -26.4514 -26.4464 -26.4464 -18.0330 -18.0330 -18.0330 -18.0330 -15.0528 -15.0528 -15.0486 -15.0486 -15.0484 -15.0484 -10.9866 -10.9866 -10.7327 -10.7327 -10.7198 -10.7198 -10.1412 -10.1412 -10.1289 -10.1289 -9.8992 -9.8992 -9.8774 -9.8774 -9.8656 -9.8656 -9.8361 -9.8361 -4.3285 -4.3285 2.8644 2.8644 3.9346 3.9346 4.5923 4.5923 5.9432 5.9432 6.6226 6.6226 7.2674 7.2674 7.8302 7.8302 k = 0.3333-0.1925 0.2722 ( 6106 PWs) bands (ev): -27.3057 -27.3057 -26.4513 -26.4513 -26.4466 -26.4466 -18.0330 -18.0330 -18.0330 -18.0330 -15.0527 -15.0527 -15.0486 -15.0486 -15.0484 -15.0484 -10.9868 -10.9868 -10.7334 -10.7334 -10.7198 -10.7198 -10.1400 -10.1400 -10.1305 -10.1305 -9.8991 -9.8991 -9.8794 -9.8794 -9.8635 -9.8635 -9.8362 -9.8362 -4.3247 -4.3247 2.8564 2.8564 3.9335 3.9335 4.5866 4.5866 5.9126 5.9126 6.5764 6.5764 7.3344 7.3344 7.8880 7.8880 k = 0.3472-0.2005 0.2835 ( 6098 PWs) bands (ev): -27.3057 -27.3057 -26.4512 -26.4512 -26.4467 -26.4467 -18.0330 -18.0330 -18.0330 -18.0330 -15.0527 -15.0527 -15.0485 -15.0485 -15.0484 -15.0484 -10.9869 -10.9869 -10.7341 -10.7341 -10.7197 -10.7197 -10.1388 -10.1388 -10.1321 -10.1321 -9.8988 -9.8988 -9.8813 -9.8813 -9.8614 -9.8614 -9.8363 -9.8363 -4.3212 -4.3212 2.8499 2.8499 3.9334 3.9334 4.5812 4.5812 5.8760 5.8760 6.5332 6.5332 7.4087 7.4087 7.9480 7.9480 k = 0.3611-0.2085 0.2948 ( 6074 PWs) bands (ev): -27.3056 -27.3056 -26.4511 -26.4511 -26.4468 -26.4468 -18.0330 -18.0330 -18.0329 -18.0329 -15.0527 -15.0527 -15.0485 -15.0485 -15.0483 -15.0483 -10.9870 -10.9870 -10.7347 -10.7347 -10.7197 -10.7197 -10.1376 -10.1376 -10.1335 -10.1335 -9.8986 -9.8986 -9.8831 -9.8831 -9.8594 -9.8594 -9.8364 -9.8364 -4.3179 -4.3179 2.8449 2.8449 3.9341 3.9341 4.5763 4.5763 5.8357 5.8357 6.4934 6.4934 7.4882 7.4882 8.0101 8.0101 k = 0.3750-0.2165 0.3062 ( 6086 PWs) bands (ev): -27.3056 -27.3056 -26.4511 -26.4511 -26.4469 -26.4469 -18.0330 -18.0330 -18.0329 -18.0329 -15.0527 -15.0527 -15.0485 -15.0485 -15.0483 -15.0483 -10.9871 -10.9871 -10.7353 -10.7353 -10.7197 -10.7197 -10.1366 -10.1366 -10.1349 -10.1349 -9.8984 -9.8984 -9.8848 -9.8848 -9.8576 -9.8576 -9.8365 -9.8365 -4.3149 -4.3149 2.8412 2.8412 3.9354 3.9354 4.5717 4.5717 5.7938 5.7938 6.4569 6.4569 7.5711 7.5711 8.0742 8.0742 k = 0.3889-0.2245 0.3175 ( 6078 PWs) bands (ev): -27.3056 -27.3056 -26.4510 -26.4510 -26.4470 -26.4470 -18.0330 -18.0330 -18.0329 -18.0329 -15.0527 -15.0527 -15.0485 -15.0485 -15.0483 -15.0483 -10.9872 -10.9872 -10.7358 -10.7358 -10.7197 -10.7197 -10.1362 -10.1362 -10.1356 -10.1356 -9.8981 -9.8981 -9.8863 -9.8863 -9.8559 -9.8559 -9.8366 -9.8366 -4.3122 -4.3122 2.8385 2.8385 3.9372 3.9372 4.5675 4.5675 5.7521 5.7521 6.4240 6.4240 7.6556 7.6556 8.1402 8.1402 k = 0.4028-0.2325 0.3289 ( 6078 PWs) bands (ev): -27.3056 -27.3056 -26.4509 -26.4509 -26.4471 -26.4471 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0483 -15.0483 -10.9872 -10.9872 -10.7363 -10.7363 -10.7196 -10.7196 -10.1374 -10.1374 -10.1348 -10.1348 -9.8979 -9.8979 -9.8877 -9.8877 -9.8543 -9.8543 -9.8367 -9.8367 -4.3097 -4.3097 2.8367 2.8367 3.9395 3.9395 4.5638 4.5638 5.7120 5.7120 6.3947 6.3947 7.7400 7.7400 8.2079 8.2079 k = 0.4167-0.2406 0.3402 ( 6062 PWs) bands (ev): -27.3055 -27.3055 -26.4508 -26.4508 -26.4472 -26.4472 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0483 -15.0483 -10.9873 -10.9873 -10.7367 -10.7367 -10.7196 -10.7196 -10.1384 -10.1384 -10.1340 -10.1340 -9.8976 -9.8976 -9.8890 -9.8890 -9.8529 -9.8529 -9.8368 -9.8368 -4.3076 -4.3076 2.8356 2.8356 3.9420 3.9420 4.5606 4.5606 5.6749 5.6749 6.3691 6.3691 7.8226 7.8226 8.2770 8.2770 k = 0.4306-0.2486 0.3515 ( 6078 PWs) bands (ev): -27.3055 -27.3055 -26.4508 -26.4508 -26.4472 -26.4472 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0483 -15.0483 -10.9874 -10.9874 -10.7371 -10.7371 -10.7196 -10.7196 -10.1394 -10.1394 -10.1334 -10.1334 -9.8973 -9.8973 -9.8901 -9.8901 -9.8517 -9.8517 -9.8370 -9.8370 -4.3057 -4.3057 2.8350 2.8350 3.9445 3.9445 4.5578 4.5578 5.6416 5.6416 6.3473 6.3473 7.9013 7.9013 8.3472 8.3472 k = 0.4444-0.2566 0.3629 ( 6062 PWs) bands (ev): -27.3055 -27.3055 -26.4508 -26.4508 -26.4473 -26.4473 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0483 -15.0483 -10.9874 -10.9874 -10.7373 -10.7373 -10.7195 -10.7195 -10.1401 -10.1401 -10.1328 -10.1328 -9.8970 -9.8970 -9.8911 -9.8911 -9.8507 -9.8507 -9.8371 -9.8371 -4.3042 -4.3042 2.8348 2.8348 3.9468 3.9468 4.5555 4.5555 5.6132 5.6132 6.3294 6.3294 7.9737 7.9737 8.4177 8.4177 k = 0.4583-0.2646 0.3742 ( 6058 PWs) bands (ev): -27.3055 -27.3055 -26.4507 -26.4507 -26.4473 -26.4473 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0483 -15.0483 -10.9874 -10.9874 -10.7376 -10.7376 -10.7195 -10.7195 -10.1407 -10.1407 -10.1324 -10.1324 -9.8966 -9.8966 -9.8920 -9.8920 -9.8498 -9.8498 -9.8372 -9.8372 -4.3031 -4.3031 2.8348 2.8348 3.9489 3.9489 4.5538 4.5538 5.5903 5.5903 6.3154 6.3154 8.0366 8.0366 8.4871 8.4871 k = 0.4722-0.2726 0.3856 ( 6062 PWs) bands (ev): -27.3055 -27.3055 -26.4507 -26.4507 -26.4473 -26.4473 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0483 -15.0483 -10.9875 -10.9875 -10.7378 -10.7378 -10.7195 -10.7195 -10.1412 -10.1412 -10.1321 -10.1321 -9.8963 -9.8963 -9.8928 -9.8928 -9.8492 -9.8492 -9.8372 -9.8372 -4.3022 -4.3022 2.8349 2.8349 3.9505 3.9505 4.5525 4.5525 5.5735 5.5735 6.3054 6.3054 8.0864 8.0864 8.5520 8.5520 k = 0.4861-0.2807 0.3969 ( 6066 PWs) bands (ev): -27.3055 -27.3055 -26.4507 -26.4507 -26.4474 -26.4474 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0483 -15.0483 -10.9875 -10.9875 -10.7379 -10.7379 -10.7195 -10.7195 -10.1414 -10.1414 -10.1319 -10.1319 -9.8960 -9.8960 -9.8933 -9.8933 -9.8489 -9.8489 -9.8373 -9.8373 -4.3017 -4.3017 2.8350 2.8350 3.9515 3.9515 4.5517 4.5517 5.5633 5.5633 6.2994 6.2994 8.1188 8.1188 8.6043 8.6043 k = 0.5000-0.2887 0.4082 ( 6074 PWs) bands (ev): -27.3055 -27.3055 -26.4507 -26.4507 -26.4474 -26.4474 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0483 -15.0483 -10.9875 -10.9875 -10.7379 -10.7379 -10.7195 -10.7195 -10.1415 -10.1415 -10.1319 -10.1319 -9.8959 -9.8959 -9.8935 -9.8935 -9.8488 -9.8488 -9.8373 -9.8373 -4.3016 -4.3016 2.8350 2.8350 3.9518 3.9518 4.5515 4.5515 5.5599 5.5599 6.2974 6.2974 8.1301 8.1301 8.6263 8.6263 k = 0.5000-0.2887 0.4082 ( 6074 PWs) bands (ev): -27.3055 -27.3055 -26.4507 -26.4507 -26.4474 -26.4474 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0483 -15.0483 -10.9875 -10.9875 -10.7379 -10.7379 -10.7195 -10.7195 -10.1415 -10.1415 -10.1319 -10.1319 -9.8959 -9.8959 -9.8935 -9.8935 -9.8488 -9.8488 -9.8373 -9.8373 -4.3016 -4.3016 2.8350 2.8350 3.9518 3.9518 4.5515 4.5515 5.5599 5.5599 6.2974 6.2974 8.1301 8.1301 8.6263 8.6263 k = 0.5000-0.2726 0.4196 ( 6066 PWs) bands (ev): -27.3055 -27.3055 -26.4507 -26.4507 -26.4474 -26.4474 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0483 -15.0483 -10.9875 -10.9875 -10.7379 -10.7379 -10.7195 -10.7195 -10.1415 -10.1415 -10.1318 -10.1318 -9.8959 -9.8959 -9.8935 -9.8935 -9.8488 -9.8488 -9.8374 -9.8374 -4.3015 -4.3015 2.8355 2.8355 3.9508 3.9508 4.5478 4.5478 5.5641 5.5641 6.3024 6.3024 8.1282 8.1282 8.6202 8.6202 k = 0.5000-0.2566 0.4309 ( 6054 PWs) bands (ev): -27.3055 -27.3055 -26.4506 -26.4506 -26.4474 -26.4474 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0483 -15.0483 -10.9875 -10.9875 -10.7378 -10.7378 -10.7196 -10.7196 -10.1415 -10.1415 -10.1318 -10.1318 -9.8958 -9.8958 -9.8934 -9.8934 -9.8488 -9.8488 -9.8375 -9.8375 -4.3015 -4.3015 2.8369 2.8369 3.9479 3.9479 4.5372 4.5372 5.5767 5.5767 6.3172 6.3172 8.1222 8.1222 8.6028 8.6028 k = 0.5000-0.2406 0.4423 ( 6040 PWs) bands (ev): -27.3055 -27.3055 -26.4506 -26.4506 -26.4474 -26.4474 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0483 -15.0483 -10.9875 -10.9875 -10.7376 -10.7376 -10.7197 -10.7197 -10.1414 -10.1414 -10.1317 -10.1317 -9.8958 -9.8958 -9.8932 -9.8932 -9.8488 -9.8488 -9.8377 -9.8377 -4.3014 -4.3014 2.8392 2.8392 3.9431 3.9431 4.5201 4.5201 5.5969 5.5969 6.3415 6.3415 8.1120 8.1120 8.5759 8.5759 k = 0.5000-0.2245 0.4536 ( 6040 PWs) bands (ev): -27.3055 -27.3055 -26.4505 -26.4505 -26.4475 -26.4475 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0483 -15.0483 -10.9875 -10.9875 -10.7375 -10.7375 -10.7199 -10.7199 -10.1413 -10.1413 -10.1316 -10.1316 -9.8958 -9.8958 -9.8931 -9.8931 -9.8488 -9.8488 -9.8380 -9.8380 -4.3013 -4.3013 2.8423 2.8423 3.9369 3.9369 4.4975 4.4975 5.6240 5.6240 6.3749 6.3749 8.0971 8.0971 8.5410 8.5410 k = 0.5000-0.2085 0.4649 ( 6050 PWs) bands (ev): -27.3055 -27.3055 -26.4505 -26.4505 -26.4475 -26.4475 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0483 -15.0483 -10.9875 -10.9875 -10.7373 -10.7373 -10.7201 -10.7201 -10.1413 -10.1413 -10.1315 -10.1315 -9.8957 -9.8957 -9.8929 -9.8929 -9.8489 -9.8489 -9.8384 -9.8384 -4.3012 -4.3012 2.8462 2.8462 3.9295 3.9295 4.4706 4.4706 5.6568 5.6568 6.4168 6.4168 8.0770 8.0770 8.4993 8.4993 k = 0.5000-0.1925 0.4763 ( 6062 PWs) bands (ev): -27.3055 -27.3055 -26.4504 -26.4504 -26.4476 -26.4476 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0483 -15.0483 -10.9875 -10.9875 -10.7370 -10.7370 -10.7204 -10.7204 -10.1412 -10.1412 -10.1314 -10.1314 -9.8957 -9.8957 -9.8926 -9.8926 -9.8489 -9.8489 -9.8389 -9.8389 -4.3011 -4.3011 2.8507 2.8507 3.9214 3.9214 4.4404 4.4404 5.6944 5.6944 6.4666 6.4666 8.0515 8.0515 8.4521 8.4521 k = 0.5000-0.1764 0.4876 ( 6054 PWs) bands (ev): -27.3055 -27.3055 -26.4504 -26.4504 -26.4477 -26.4477 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0483 -15.0483 -10.9875 -10.9875 -10.7368 -10.7368 -10.7207 -10.7207 -10.1411 -10.1411 -10.1313 -10.1313 -9.8956 -9.8956 -9.8924 -9.8924 -9.8489 -9.8489 -9.8395 -9.8395 -4.3009 -4.3009 2.8557 2.8557 3.9129 3.9129 4.4079 4.4079 5.7356 5.7356 6.5236 6.5236 8.0206 8.0206 8.3994 8.3994 k = 0.5000-0.1604 0.4990 ( 6062 PWs) bands (ev): -27.3055 -27.3055 -26.4503 -26.4503 -26.4478 -26.4478 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0483 -15.0483 -10.9875 -10.9875 -10.7364 -10.7364 -10.7211 -10.7211 -10.1410 -10.1410 -10.1312 -10.1312 -9.8955 -9.8955 -9.8921 -9.8921 -9.8489 -9.8489 -9.8401 -9.8401 -4.3007 -4.3007 2.8612 2.8612 3.9045 3.9045 4.3743 4.3743 5.7793 5.7793 6.5870 6.5870 7.9849 7.9849 8.3406 8.3406 k = 0.5000-0.1443 0.5103 ( 6062 PWs) bands (ev): -27.3055 -27.3055 -26.4502 -26.4502 -26.4479 -26.4479 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0483 -15.0483 -10.9874 -10.9874 -10.7361 -10.7361 -10.7214 -10.7214 -10.1409 -10.1409 -10.1310 -10.1310 -9.8955 -9.8955 -9.8918 -9.8918 -9.8489 -9.8489 -9.8408 -9.8408 -4.3006 -4.3006 2.8668 2.8668 3.8965 3.8965 4.3403 4.3403 5.8244 5.8244 6.6562 6.6562 7.9454 7.9454 8.2748 8.2748 k = 0.5000-0.1283 0.5217 ( 6064 PWs) bands (ev): -27.3055 -27.3055 -26.4501 -26.4501 -26.4480 -26.4480 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0483 -15.0483 -10.9874 -10.9874 -10.7357 -10.7357 -10.7218 -10.7218 -10.1408 -10.1408 -10.1309 -10.1309 -9.8953 -9.8953 -9.8916 -9.8916 -9.8489 -9.8489 -9.8415 -9.8415 -4.3004 -4.3004 2.8726 2.8726 3.8894 3.8894 4.3069 4.3069 5.8699 5.8699 6.7305 6.7305 7.9034 7.9034 8.2018 8.2018 k = 0.5000-0.1123 0.5330 ( 6062 PWs) bands (ev): -27.3055 -27.3055 -26.4500 -26.4500 -26.4481 -26.4481 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0483 -15.0483 -10.9874 -10.9874 -10.7354 -10.7354 -10.7222 -10.7222 -10.1407 -10.1407 -10.1307 -10.1307 -9.8952 -9.8952 -9.8913 -9.8913 -9.8488 -9.8488 -9.8422 -9.8422 -4.3002 -4.3002 2.8782 2.8782 3.8833 3.8833 4.2748 4.2748 5.9144 5.9144 6.8092 6.8092 7.8607 7.8607 8.1223 8.1223 k = 0.5000-0.0962 0.5443 ( 6054 PWs) bands (ev): -27.3055 -27.3055 -26.4498 -26.4498 -26.4482 -26.4482 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0483 -15.0483 -10.9874 -10.9874 -10.7350 -10.7350 -10.7226 -10.7226 -10.1406 -10.1406 -10.1306 -10.1306 -9.8951 -9.8951 -9.8910 -9.8910 -9.8487 -9.8487 -9.8429 -9.8429 -4.3001 -4.3001 2.8835 2.8835 3.8784 3.8784 4.2448 4.2448 5.9570 5.9570 6.8916 6.8916 7.8188 7.8188 8.0375 8.0375 k = 0.5000-0.0802 0.5557 ( 6054 PWs) bands (ev): -27.3055 -27.3055 -26.4497 -26.4497 -26.4483 -26.4483 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0483 -15.0483 -10.9874 -10.9874 -10.7346 -10.7346 -10.7229 -10.7229 -10.1405 -10.1405 -10.1305 -10.1305 -9.8950 -9.8950 -9.8908 -9.8908 -9.8485 -9.8485 -9.8436 -9.8436 -4.2999 -4.2999 2.8883 2.8883 3.8748 3.8748 4.2176 4.2176 5.9962 5.9962 6.9772 6.9772 7.7795 7.7795 7.9487 7.9487 k = 0.5000-0.0642 0.5670 ( 6054 PWs) bands (ev): -27.3055 -27.3055 -26.4496 -26.4496 -26.4485 -26.4485 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0483 -15.0483 -10.9874 -10.9874 -10.7343 -10.7343 -10.7233 -10.7233 -10.1404 -10.1404 -10.1304 -10.1304 -9.8950 -9.8950 -9.8906 -9.8906 -9.8483 -9.8483 -9.8443 -9.8443 -4.2998 -4.2998 2.8925 2.8925 3.8724 3.8724 4.1939 4.1939 6.0307 6.0307 7.0652 7.0652 7.7441 7.7441 7.8576 7.8576 k = 0.5000-0.0481 0.5784 ( 6052 PWs) bands (ev): -27.3055 -27.3055 -26.4494 -26.4494 -26.4486 -26.4486 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0484 -15.0484 -10.9874 -10.9874 -10.7340 -10.7340 -10.7235 -10.7235 -10.1404 -10.1404 -10.1303 -10.1303 -9.8949 -9.8949 -9.8904 -9.8904 -9.8480 -9.8480 -9.8450 -9.8450 -4.2997 -4.2997 2.8960 2.8960 3.8710 3.8710 4.1744 4.1744 6.0593 6.0593 7.1544 7.1544 7.7132 7.7132 7.7669 7.7669 k = 0.5000-0.0321 0.5897 ( 6044 PWs) bands (ev): -27.3055 -27.3055 -26.4493 -26.4493 -26.4487 -26.4487 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0484 -15.0484 -10.9874 -10.9874 -10.7338 -10.7338 -10.7238 -10.7238 -10.1403 -10.1403 -10.1302 -10.1302 -9.8948 -9.8948 -9.8903 -9.8903 -9.8477 -9.8477 -9.8456 -9.8456 -4.2996 -4.2996 2.8985 2.8985 3.8703 3.8703 4.1599 4.1599 6.0808 6.0808 7.2426 7.2426 7.6664 7.6664 7.7008 7.7008 k = 0.5000-0.0160 0.6010 ( 6040 PWs) bands (ev): -27.3055 -27.3055 -26.4492 -26.4492 -26.4489 -26.4489 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0484 -15.0484 -10.9874 -10.9874 -10.7337 -10.7337 -10.7239 -10.7239 -10.1403 -10.1403 -10.1302 -10.1302 -9.8948 -9.8948 -9.8902 -9.8902 -9.8473 -9.8473 -9.8461 -9.8461 -4.2996 -4.2996 2.9001 2.9001 3.8700 3.8700 4.1509 4.1509 6.0941 6.0941 7.3232 7.3232 7.5882 7.5882 7.6831 7.6831 k = 0.5000-0.0000 0.6124 ( 6032 PWs) bands (ev): -27.3055 -27.3055 -26.4490 -26.4490 -26.4490 -26.4490 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0484 -15.0484 -10.9873 -10.9873 -10.7336 -10.7336 -10.7239 -10.7239 -10.1403 -10.1403 -10.1301 -10.1301 -9.8948 -9.8948 -9.8902 -9.8902 -9.8471 -9.8471 -9.8464 -9.8464 -4.2996 -4.2996 2.9006 2.9006 3.8700 3.8700 4.1479 4.1479 6.0986 6.0986 7.3654 7.3654 7.5458 7.5458 7.6780 7.6780 k = 0.5000-0.0000 0.6124 ( 6032 PWs) bands (ev): -27.3055 -27.3055 -26.4490 -26.4490 -26.4490 -26.4490 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0484 -15.0484 -10.9873 -10.9873 -10.7336 -10.7336 -10.7239 -10.7239 -10.1403 -10.1403 -10.1301 -10.1301 -9.8948 -9.8948 -9.8902 -9.8902 -9.8471 -9.8471 -9.8464 -9.8464 -4.2996 -4.2996 2.9006 2.9006 3.8700 3.8700 4.1479 4.1479 6.0986 6.0986 7.3654 7.3654 7.5458 7.5458 7.6780 7.6780 k = 0.4904 0.0167 0.6124 ( 6042 PWs) bands (ev): -27.3055 -27.3055 -26.4491 -26.4491 -26.4489 -26.4489 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0484 -15.0484 -10.9874 -10.9874 -10.7336 -10.7336 -10.7239 -10.7239 -10.1403 -10.1403 -10.1302 -10.1302 -9.8948 -9.8948 -9.8902 -9.8902 -9.8473 -9.8473 -9.8463 -9.8463 -4.2996 -4.2996 2.9002 2.9002 3.8689 3.8689 4.1508 4.1508 6.0976 6.0976 7.3413 7.3413 7.5675 7.5675 7.6836 7.6836 k = 0.4808 0.0333 0.6124 ( 6041 PWs) bands (ev): -27.3055 -27.3055 -26.4492 -26.4492 -26.4488 -26.4488 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0484 -15.0484 -10.9874 -10.9874 -10.7337 -10.7337 -10.7239 -10.7239 -10.1403 -10.1403 -10.1302 -10.1302 -9.8947 -9.8947 -9.8902 -9.8902 -9.8475 -9.8475 -9.8460 -9.8460 -4.2997 -4.2997 2.8991 2.8991 3.8657 3.8657 4.1594 4.1594 6.0941 6.0941 7.2886 7.2886 7.6174 7.6174 7.6963 7.6963 k = 0.4712 0.0500 0.6124 ( 6047 PWs) bands (ev): -27.3055 -27.3055 -26.4493 -26.4493 -26.4487 -26.4487 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0484 -15.0484 -10.9874 -10.9874 -10.7337 -10.7337 -10.7238 -10.7238 -10.1402 -10.1402 -10.1302 -10.1302 -9.8947 -9.8947 -9.8902 -9.8902 -9.8478 -9.8478 -9.8458 -9.8458 -4.2999 -4.2999 2.8974 2.8974 3.8606 3.8606 4.1731 4.1731 6.0882 6.0882 7.2290 7.2290 7.6751 7.6751 7.7155 7.7155 k = 0.4615 0.0666 0.6124 ( 6058 PWs) bands (ev): -27.3055 -27.3055 -26.4494 -26.4494 -26.4487 -26.4487 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0484 -15.0484 -10.9874 -10.9874 -10.7338 -10.7338 -10.7237 -10.7237 -10.1402 -10.1402 -10.1302 -10.1302 -9.8946 -9.8946 -9.8903 -9.8903 -9.8481 -9.8481 -9.8457 -9.8457 -4.3001 -4.3001 2.8953 2.8953 3.8541 3.8541 4.1908 4.1908 6.0796 6.0796 7.1706 7.1706 7.7176 7.7176 7.7562 7.7562 k = 0.4519 0.0833 0.6124 ( 6060 PWs) bands (ev): -27.3055 -27.3055 -26.4494 -26.4494 -26.4486 -26.4486 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0484 -15.0484 -10.9874 -10.9874 -10.7339 -10.7339 -10.7236 -10.7236 -10.1402 -10.1402 -10.1302 -10.1302 -9.8945 -9.8945 -9.8903 -9.8903 -9.8483 -9.8483 -9.8455 -9.8455 -4.3003 -4.3003 2.8929 2.8929 3.8468 3.8468 4.2114 4.2114 6.0686 6.0686 7.1165 7.1165 7.7409 7.7409 7.8191 7.8191 k = 0.4423 0.0999 0.6124 ( 6060 PWs) bands (ev): -27.3055 -27.3055 -26.4495 -26.4495 -26.4485 -26.4485 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0484 -15.0484 -10.9874 -10.9874 -10.7339 -10.7339 -10.7235 -10.7235 -10.1402 -10.1402 -10.1303 -10.1303 -9.8943 -9.8943 -9.8904 -9.8904 -9.8485 -9.8485 -9.8454 -9.8454 -4.3005 -4.3005 2.8903 2.8903 3.8392 3.8392 4.2335 4.2335 6.0555 6.0555 7.0683 7.0683 7.7619 7.7619 7.8858 7.8858 k = 0.4327 0.1166 0.6124 ( 6062 PWs) bands (ev): -27.3055 -27.3055 -26.4496 -26.4496 -26.4485 -26.4485 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0484 -15.0484 -10.9874 -10.9874 -10.7340 -10.7340 -10.7233 -10.7233 -10.1402 -10.1402 -10.1303 -10.1303 -9.8942 -9.8942 -9.8904 -9.8904 -9.8487 -9.8487 -9.8453 -9.8453 -4.3008 -4.3008 2.8877 2.8877 3.8319 3.8319 4.2560 4.2560 6.0409 6.0409 7.0266 7.0266 7.7827 7.7827 7.9522 7.9522 k = 0.4231 0.1332 0.6124 ( 6057 PWs) bands (ev): -27.3055 -27.3055 -26.4496 -26.4496 -26.4484 -26.4484 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0483 -15.0483 -10.9873 -10.9873 -10.7341 -10.7341 -10.7232 -10.7232 -10.1402 -10.1402 -10.1303 -10.1303 -9.8940 -9.8940 -9.8905 -9.8905 -9.8488 -9.8488 -9.8452 -9.8452 -4.3010 -4.3010 2.8853 2.8853 3.8253 3.8253 4.2776 4.2776 6.0258 6.0258 6.9917 6.9917 7.8031 7.8031 8.0165 8.0165 k = 0.4135 0.1499 0.6124 ( 6051 PWs) bands (ev): -27.3055 -27.3055 -26.4496 -26.4496 -26.4484 -26.4484 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0483 -15.0483 -10.9873 -10.9873 -10.7341 -10.7341 -10.7231 -10.7231 -10.1402 -10.1402 -10.1302 -10.1302 -9.8939 -9.8939 -9.8906 -9.8906 -9.8489 -9.8489 -9.8451 -9.8451 -4.3012 -4.3012 2.8832 2.8832 3.8195 3.8195 4.2971 4.2971 6.0112 6.0112 6.9636 6.9636 7.8224 7.8224 8.0755 8.0755 k = 0.4038 0.1665 0.6124 ( 6055 PWs) bands (ev): -27.3055 -27.3055 -26.4497 -26.4497 -26.4484 -26.4484 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0483 -15.0483 -10.9873 -10.9873 -10.7342 -10.7342 -10.7230 -10.7230 -10.1402 -10.1402 -10.1302 -10.1302 -9.8938 -9.8938 -9.8907 -9.8907 -9.8490 -9.8490 -9.8451 -9.8451 -4.3013 -4.3013 2.8814 2.8814 3.8148 3.8148 4.3136 4.3136 5.9983 5.9983 6.9421 6.9421 7.8398 7.8398 8.1206 8.1206 k = 0.3942 0.1832 0.6124 ( 6042 PWs) bands (ev): -27.3055 -27.3055 -26.4497 -26.4497 -26.4483 -26.4483 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0483 -15.0483 -10.9873 -10.9873 -10.7342 -10.7342 -10.7229 -10.7229 -10.1402 -10.1402 -10.1302 -10.1302 -9.8937 -9.8937 -9.8907 -9.8907 -9.8491 -9.8491 -9.8450 -9.8450 -4.3014 -4.3014 2.8801 2.8801 3.8113 3.8113 4.3261 4.3261 5.9882 5.9882 6.9270 6.9270 7.8538 7.8538 8.1359 8.1359 k = 0.3846 0.1999 0.6124 ( 6038 PWs) bands (ev): -27.3055 -27.3055 -26.4497 -26.4497 -26.4483 -26.4483 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0483 -15.0483 -10.9873 -10.9873 -10.7342 -10.7342 -10.7229 -10.7229 -10.1402 -10.1402 -10.1302 -10.1302 -9.8936 -9.8936 -9.8907 -9.8907 -9.8491 -9.8491 -9.8450 -9.8450 -4.3015 -4.3015 2.8793 2.8793 3.8092 3.8092 4.3339 4.3339 5.9817 5.9817 6.9181 6.9181 7.8631 7.8631 8.1340 8.1340 k = 0.3750 0.2165 0.6124 ( 6042 PWs) bands (ev): -27.3055 -27.3055 -26.4497 -26.4497 -26.4483 -26.4483 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0483 -15.0483 -10.9873 -10.9873 -10.7342 -10.7342 -10.7229 -10.7229 -10.1402 -10.1402 -10.1302 -10.1302 -9.8936 -9.8936 -9.8908 -9.8908 -9.8491 -9.8491 -9.8450 -9.8450 -4.3015 -4.3015 2.8790 2.8790 3.8085 3.8085 4.3366 4.3366 5.9794 5.9794 6.9151 6.9151 7.8663 7.8663 8.1322 8.1322 k = 0.3750 0.2165 0.6124 ( 6042 PWs) bands (ev): -27.3055 -27.3055 -26.4497 -26.4497 -26.4483 -26.4483 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0483 -15.0483 -10.9873 -10.9873 -10.7342 -10.7342 -10.7229 -10.7229 -10.1402 -10.1402 -10.1302 -10.1302 -9.8936 -9.8936 -9.8908 -9.8908 -9.8491 -9.8491 -9.8450 -9.8450 -4.3015 -4.3015 2.8790 2.8790 3.8085 3.8085 4.3366 4.3366 5.9794 5.9794 6.9151 6.9151 7.8663 7.8663 8.1322 8.1322 k = 0.3651 0.2108 0.5963 ( 6038 PWs) bands (ev): -27.3055 -27.3055 -26.4495 -26.4495 -26.4485 -26.4485 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0484 -15.0484 -10.9873 -10.9873 -10.7337 -10.7337 -10.7233 -10.7233 -10.1401 -10.1401 -10.1300 -10.1300 -9.8931 -9.8931 -9.8904 -9.8904 -9.8492 -9.8492 -9.8462 -9.8462 -4.3019 -4.3019 2.8808 2.8808 3.7946 3.7946 4.3302 4.3302 6.0308 6.0308 6.9739 6.9739 7.8459 7.8459 8.0829 8.0829 k = 0.3553 0.2051 0.5801 ( 6034 PWs) bands (ev): -27.3055 -27.3055 -26.4494 -26.4494 -26.4486 -26.4486 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0484 -15.0484 -10.9872 -10.9872 -10.7332 -10.7332 -10.7237 -10.7237 -10.1399 -10.1399 -10.1299 -10.1299 -9.8927 -9.8927 -9.8899 -9.8899 -9.8494 -9.8494 -9.8472 -9.8472 -4.3025 -4.3025 2.8815 2.8815 3.7830 3.7830 4.3264 4.3264 6.0841 6.0841 7.0212 7.0212 7.8351 7.8351 8.0350 8.0350 k = 0.3454 0.1994 0.5640 ( 6037 PWs) bands (ev): -27.3055 -27.3055 -26.4492 -26.4492 -26.4488 -26.4488 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0484 -15.0484 -10.9872 -10.9872 -10.7326 -10.7326 -10.7241 -10.7241 -10.1397 -10.1397 -10.1297 -10.1297 -9.8924 -9.8924 -9.8892 -9.8892 -9.8501 -9.8501 -9.8479 -9.8479 -4.3032 -4.3032 2.8811 2.8811 3.7741 3.7741 4.3253 4.3253 6.1393 6.1393 7.0531 7.0531 7.8367 7.8367 7.9889 7.9889 k = 0.3355 0.1937 0.5479 ( 6051 PWs) bands (ev): -27.3055 -27.3055 -26.4490 -26.4490 -26.4489 -26.4489 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0484 -15.0484 -10.9872 -10.9872 -10.7320 -10.7320 -10.7245 -10.7245 -10.1396 -10.1396 -10.1296 -10.1296 -9.8921 -9.8921 -9.8885 -9.8885 -9.8514 -9.8514 -9.8480 -9.8480 -4.3042 -4.3042 2.8797 2.8797 3.7681 3.7681 4.3265 4.3265 6.1964 6.1964 7.0669 7.0669 7.8510 7.8510 7.9458 7.9458 k = 0.3257 0.1880 0.5318 ( 6039 PWs) bands (ev): -27.3055 -27.3055 -26.4491 -26.4491 -26.4489 -26.4489 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0484 -15.0484 -10.9871 -10.9871 -10.7314 -10.7314 -10.7248 -10.7248 -10.1394 -10.1394 -10.1294 -10.1294 -9.8919 -9.8919 -9.8876 -9.8876 -9.8528 -9.8528 -9.8480 -9.8480 -4.3053 -4.3053 2.8773 2.8773 3.7650 3.7650 4.3300 4.3300 6.2551 6.2551 7.0625 7.0625 7.8654 7.8654 7.9163 7.9163 k = 0.3158 0.1823 0.5157 ( 6043 PWs) bands (ev): -27.3055 -27.3055 -26.4493 -26.4493 -26.4487 -26.4487 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0484 -15.0484 -10.9871 -10.9871 -10.7309 -10.7309 -10.7251 -10.7251 -10.1394 -10.1394 -10.1292 -10.1292 -9.8918 -9.8918 -9.8866 -9.8866 -9.8545 -9.8545 -9.8478 -9.8478 -4.3066 -4.3066 2.8742 2.8742 3.7649 3.7649 4.3356 4.3356 6.3154 6.3154 7.0419 7.0419 7.8420 7.8420 7.9291 7.9291 k = 0.3059 0.1766 0.4996 ( 6035 PWs) bands (ev): -27.3056 -27.3056 -26.4494 -26.4494 -26.4485 -26.4485 -18.0330 -18.0330 -18.0329 -18.0329 -15.0527 -15.0527 -15.0485 -15.0485 -15.0484 -15.0484 -10.9870 -10.9870 -10.7303 -10.7303 -10.7253 -10.7253 -10.1393 -10.1393 -10.1289 -10.1289 -9.8917 -9.8917 -9.8854 -9.8854 -9.8562 -9.8562 -9.8476 -9.8476 -4.3082 -4.3082 2.8708 2.8708 3.7675 3.7675 4.3432 4.3432 6.3767 6.3767 7.0086 7.0086 7.8029 7.8029 7.9342 7.9342 k = 0.2961 0.1709 0.4835 ( 6035 PWs) bands (ev): -27.3056 -27.3056 -26.4496 -26.4496 -26.4483 -26.4483 -18.0330 -18.0330 -18.0329 -18.0329 -15.0527 -15.0527 -15.0485 -15.0485 -15.0484 -15.0484 -10.9869 -10.9869 -10.7297 -10.7297 -10.7255 -10.7255 -10.1394 -10.1394 -10.1286 -10.1286 -9.8917 -9.8917 -9.8841 -9.8841 -9.8580 -9.8580 -9.8474 -9.8474 -4.3100 -4.3100 2.8673 2.8673 3.7726 3.7726 4.3527 4.3527 6.4384 6.4384 6.9660 6.9660 7.7623 7.7623 7.8979 7.8979 k = 0.2862 0.1652 0.4673 ( 6067 PWs) bands (ev): -27.3056 -27.3056 -26.4498 -26.4498 -26.4481 -26.4481 -18.0330 -18.0330 -18.0329 -18.0329 -15.0527 -15.0527 -15.0485 -15.0485 -15.0484 -15.0484 -10.9869 -10.9869 -10.7292 -10.7292 -10.7257 -10.7257 -10.1396 -10.1396 -10.1283 -10.1283 -9.8918 -9.8918 -9.8827 -9.8827 -9.8599 -9.8599 -9.8470 -9.8470 -4.3121 -4.3121 2.8641 2.8641 3.7798 3.7798 4.3641 4.3641 6.4993 6.4993 6.9177 6.9177 7.7220 7.7220 7.8462 7.8462 k = 0.2763 0.1595 0.4512 ( 6071 PWs) bands (ev): -27.3056 -27.3056 -26.4500 -26.4500 -26.4479 -26.4479 -18.0330 -18.0330 -18.0329 -18.0329 -15.0527 -15.0527 -15.0485 -15.0485 -15.0484 -15.0484 -10.9868 -10.9868 -10.7287 -10.7287 -10.7258 -10.7258 -10.1399 -10.1399 -10.1278 -10.1278 -9.8920 -9.8920 -9.8812 -9.8812 -9.8618 -9.8618 -9.8467 -9.8467 -4.3144 -4.3144 2.8615 2.8615 3.7887 3.7887 4.3772 4.3772 6.5565 6.5565 6.8681 6.8681 7.6823 7.6823 7.7934 7.7934 k = 0.2664 0.1538 0.4351 ( 6077 PWs) bands (ev): -27.3057 -27.3057 -26.4502 -26.4502 -26.4477 -26.4477 -18.0330 -18.0330 -18.0329 -18.0329 -15.0527 -15.0527 -15.0485 -15.0485 -15.0484 -15.0484 -10.9868 -10.9868 -10.7282 -10.7282 -10.7258 -10.7258 -10.1403 -10.1403 -10.1272 -10.1272 -9.8921 -9.8921 -9.8795 -9.8795 -9.8638 -9.8638 -9.8463 -9.8463 -4.3170 -4.3170 2.8600 2.8600 3.7991 3.7991 4.3918 4.3918 6.6021 6.6021 6.8260 6.8260 7.6433 7.6433 7.7431 7.7431 k = 0.2566 0.1481 0.4190 ( 6077 PWs) bands (ev): -27.3057 -27.3057 -26.4504 -26.4504 -26.4475 -26.4475 -18.0330 -18.0330 -18.0329 -18.0329 -15.0527 -15.0527 -15.0485 -15.0485 -15.0484 -15.0484 -10.9867 -10.9867 -10.7278 -10.7278 -10.7257 -10.7257 -10.1408 -10.1408 -10.1265 -10.1265 -9.8924 -9.8924 -9.8778 -9.8778 -9.8658 -9.8658 -9.8459 -9.8459 -4.3198 -4.3198 2.8597 2.8597 3.8105 3.8105 4.4079 4.4079 6.6163 6.6163 6.8118 6.8118 7.6054 7.6054 7.6964 7.6964 k = 0.2467 0.1424 0.4029 ( 6069 PWs) bands (ev): -27.3057 -27.3057 -26.4505 -26.4505 -26.4473 -26.4473 -18.0330 -18.0330 -18.0329 -18.0329 -15.0528 -15.0528 -15.0485 -15.0485 -15.0484 -15.0484 -10.9866 -10.9866 -10.7274 -10.7274 -10.7255 -10.7255 -10.1415 -10.1415 -10.1257 -10.1257 -9.8926 -9.8926 -9.8760 -9.8760 -9.8678 -9.8678 -9.8455 -9.8455 -4.3229 -4.3229 2.8611 2.8611 3.8227 3.8227 4.4251 4.4251 6.5858 6.5858 6.8388 6.8388 7.5691 7.5691 7.6536 7.6536 k = 0.2368 0.1367 0.3868 ( 6067 PWs) bands (ev): -27.3057 -27.3057 -26.4507 -26.4507 -26.4471 -26.4471 -18.0331 -18.0331 -18.0330 -18.0330 -15.0528 -15.0528 -15.0485 -15.0485 -15.0485 -15.0485 -10.9865 -10.9865 -10.7271 -10.7271 -10.7252 -10.7252 -10.1422 -10.1422 -10.1249 -10.1249 -9.8930 -9.8930 -9.8741 -9.8741 -9.8698 -9.8698 -9.8450 -9.8450 -4.3262 -4.3262 2.8643 2.8643 3.8355 3.8355 4.4434 4.4434 6.5292 6.5292 6.8882 6.8882 7.5350 7.5350 7.6144 7.6144 k = 0.2270 0.1310 0.3706 ( 6067 PWs) bands (ev): -27.3058 -27.3058 -26.4509 -26.4509 -26.4469 -26.4469 -18.0331 -18.0331 -18.0330 -18.0330 -15.0528 -15.0528 -15.0485 -15.0485 -15.0485 -15.0485 -10.9864 -10.9864 -10.7269 -10.7269 -10.7249 -10.7249 -10.1431 -10.1431 -10.1239 -10.1239 -9.8933 -9.8933 -9.8722 -9.8722 -9.8718 -9.8718 -9.8445 -9.8445 -4.3297 -4.3297 2.8694 2.8694 3.8487 3.8487 4.4624 4.4624 6.4616 6.4616 6.9444 6.9444 7.5038 7.5038 7.5786 7.5786 k = 0.2171 0.1253 0.3545 ( 6067 PWs) bands (ev): -27.3058 -27.3058 -26.4511 -26.4511 -26.4467 -26.4467 -18.0331 -18.0331 -18.0330 -18.0330 -15.0528 -15.0528 -15.0485 -15.0485 -15.0485 -15.0485 -10.9863 -10.9863 -10.7266 -10.7266 -10.7245 -10.7245 -10.1441 -10.1441 -10.1229 -10.1229 -9.8937 -9.8937 -9.8740 -9.8740 -9.8701 -9.8701 -9.8440 -9.8440 -4.3335 -4.3335 2.8768 2.8768 3.8622 3.8622 4.4820 4.4820 6.3886 6.3886 7.0012 7.0012 7.4758 7.4758 7.5460 7.5460 k = 0.2072 0.1196 0.3384 ( 6059 PWs) bands (ev): -27.3058 -27.3058 -26.4512 -26.4512 -26.4465 -26.4465 -18.0331 -18.0331 -18.0330 -18.0330 -15.0528 -15.0528 -15.0485 -15.0485 -15.0485 -15.0485 -10.9862 -10.9862 -10.7264 -10.7264 -10.7241 -10.7241 -10.1452 -10.1452 -10.1217 -10.1217 -9.8942 -9.8942 -9.8760 -9.8760 -9.8680 -9.8680 -9.8435 -9.8435 -4.3374 -4.3374 2.8863 2.8863 3.8760 3.8760 4.5017 4.5017 6.3121 6.3121 7.0558 7.0558 7.4514 7.4514 7.5165 7.5165 k = 0.1974 0.1140 0.3223 ( 6061 PWs) bands (ev): -27.3058 -27.3058 -26.4514 -26.4514 -26.4463 -26.4463 -18.0331 -18.0331 -18.0330 -18.0330 -15.0529 -15.0529 -15.0486 -15.0486 -15.0485 -15.0485 -10.9861 -10.9861 -10.7261 -10.7261 -10.7237 -10.7237 -10.1464 -10.1464 -10.1206 -10.1206 -9.8946 -9.8946 -9.8781 -9.8781 -9.8658 -9.8658 -9.8430 -9.8430 -4.3416 -4.3416 2.8981 2.8981 3.8899 3.8899 4.5214 4.5214 6.2330 6.2330 7.1063 7.1063 7.4301 7.4301 7.4906 7.4906 k = 0.1875 0.1083 0.3062 ( 6063 PWs) bands (ev): -27.3059 -27.3059 -26.4516 -26.4516 -26.4461 -26.4461 -18.0331 -18.0331 -18.0330 -18.0330 -15.0529 -15.0529 -15.0486 -15.0486 -15.0485 -15.0485 -10.9860 -10.9860 -10.7258 -10.7258 -10.7233 -10.7233 -10.1476 -10.1476 -10.1193 -10.1193 -9.8951 -9.8951 -9.8801 -9.8801 -9.8637 -9.8637 -9.8424 -9.8424 -4.3458 -4.3458 2.9123 2.9123 3.9041 3.9041 4.5408 4.5408 6.1519 6.1519 7.1513 7.1513 7.4111 7.4111 7.4692 7.4692 k = 0.1776 0.1026 0.2901 ( 6075 PWs) bands (ev): -27.3059 -27.3059 -26.4517 -26.4517 -26.4459 -26.4459 -18.0331 -18.0331 -18.0330 -18.0330 -15.0529 -15.0529 -15.0486 -15.0486 -15.0485 -15.0485 -10.9859 -10.9859 -10.7255 -10.7255 -10.7229 -10.7229 -10.1489 -10.1489 -10.1181 -10.1181 -9.8957 -9.8957 -9.8821 -9.8821 -9.8615 -9.8615 -9.8419 -9.8419 -4.3502 -4.3502 2.9286 2.9286 3.9186 3.9186 4.5597 4.5597 6.0691 6.0691 7.1895 7.1895 7.3927 7.3927 7.4541 7.4541 k = 0.1678 0.0969 0.2740 ( 6061 PWs) bands (ev): -27.3059 -27.3059 -26.4519 -26.4519 -26.4457 -26.4457 -18.0331 -18.0331 -18.0330 -18.0330 -15.0529 -15.0529 -15.0486 -15.0486 -15.0485 -15.0485 -10.9858 -10.9858 -10.7251 -10.7251 -10.7226 -10.7226 -10.1501 -10.1501 -10.1168 -10.1168 -9.8962 -9.8962 -9.8840 -9.8840 -9.8593 -9.8593 -9.8413 -9.8413 -4.3546 -4.3546 2.9471 2.9471 3.9335 3.9335 4.5777 4.5777 5.9849 5.9849 7.2203 7.2203 7.3737 7.3737 7.4463 7.4463 k = 0.1579 0.0912 0.2578 ( 6071 PWs) bands (ev): -27.3060 -27.3060 -26.4520 -26.4520 -26.4456 -26.4456 -18.0331 -18.0331 -18.0330 -18.0330 -15.0530 -15.0530 -15.0486 -15.0486 -15.0485 -15.0485 -10.9857 -10.9857 -10.7247 -10.7247 -10.7223 -10.7223 -10.1515 -10.1515 -10.1156 -10.1156 -9.8968 -9.8968 -9.8859 -9.8859 -9.8571 -9.8571 -9.8408 -9.8408 -4.3591 -4.3591 2.9676 2.9676 3.9491 3.9491 4.5949 4.5949 5.8994 5.8994 7.2431 7.2431 7.3538 7.3538 7.4459 7.4459 k = 0.1480 0.0855 0.2417 ( 6071 PWs) bands (ev): -27.3060 -27.3060 -26.4522 -26.4522 -26.4454 -26.4454 -18.0331 -18.0331 -18.0330 -18.0330 -15.0530 -15.0530 -15.0486 -15.0486 -15.0485 -15.0485 -10.9856 -10.9856 -10.7243 -10.7243 -10.7220 -10.7220 -10.1528 -10.1528 -10.1143 -10.1143 -9.8974 -9.8974 -9.8878 -9.8878 -9.8550 -9.8550 -9.8403 -9.8403 -4.3636 -4.3636 2.9899 2.9899 3.9654 3.9654 4.6109 4.6109 5.8130 5.8130 7.2583 7.2583 7.3338 7.3338 7.4519 7.4519 k = 0.1382 0.0798 0.2256 ( 6067 PWs) bands (ev): -27.3060 -27.3060 -26.4523 -26.4523 -26.4452 -26.4452 -18.0331 -18.0331 -18.0330 -18.0330 -15.0530 -15.0530 -15.0486 -15.0486 -15.0486 -15.0486 -10.9855 -10.9855 -10.7239 -10.7239 -10.7217 -10.7217 -10.1541 -10.1541 -10.1130 -10.1130 -9.8979 -9.8979 -9.8896 -9.8896 -9.8528 -9.8528 -9.8398 -9.8398 -4.3681 -4.3681 3.0137 3.0137 3.9827 3.9827 4.6258 4.6258 5.7258 5.7258 7.2664 7.2664 7.3141 7.3141 7.4634 7.4634 k = 0.1283 0.0741 0.2095 ( 6067 PWs) bands (ev): -27.3061 -27.3061 -26.4524 -26.4524 -26.4451 -26.4451 -18.0331 -18.0331 -18.0330 -18.0330 -15.0531 -15.0531 -15.0486 -15.0486 -15.0486 -15.0486 -10.9854 -10.9854 -10.7235 -10.7235 -10.7214 -10.7214 -10.1554 -10.1554 -10.1118 -10.1118 -9.8985 -9.8985 -9.8913 -9.8913 -9.8508 -9.8508 -9.8393 -9.8393 -4.3724 -4.3724 3.0387 3.0387 4.0012 4.0012 4.6393 4.6393 5.6382 5.6382 7.2684 7.2684 7.2951 7.2951 7.4794 7.4794 k = 0.1184 0.0684 0.1934 ( 6059 PWs) bands (ev): -27.3061 -27.3061 -26.4525 -26.4525 -26.4450 -26.4450 -18.0331 -18.0331 -18.0330 -18.0330 -15.0531 -15.0531 -15.0486 -15.0486 -15.0486 -15.0486 -10.9853 -10.9853 -10.7231 -10.7231 -10.7212 -10.7212 -10.1567 -10.1567 -10.1105 -10.1105 -9.8991 -9.8991 -9.8929 -9.8929 -9.8488 -9.8488 -9.8388 -9.8388 -4.3767 -4.3767 3.0647 3.0647 4.0212 4.0212 4.6517 4.6517 5.5503 5.5503 7.2653 7.2653 7.2772 7.2772 7.4993 7.4993 k = 0.1086 0.0627 0.1773 ( 6067 PWs) bands (ev): -27.3061 -27.3061 -26.4526 -26.4526 -26.4448 -26.4448 -18.0331 -18.0331 -18.0331 -18.0331 -15.0531 -15.0531 -15.0486 -15.0486 -15.0486 -15.0486 -10.9852 -10.9852 -10.7227 -10.7227 -10.7210 -10.7210 -10.1579 -10.1579 -10.1094 -10.1094 -9.8996 -9.8996 -9.8944 -9.8944 -9.8469 -9.8469 -9.8383 -9.8383 -4.3808 -4.3808 3.0911 3.0911 4.0431 4.0431 4.6627 4.6627 5.4626 5.4626 7.2575 7.2575 7.2612 7.2612 7.5223 7.5223 k = 0.0987 0.0570 0.1612 ( 6071 PWs) bands (ev): -27.3062 -27.3062 -26.4527 -26.4527 -26.4447 -26.4447 -18.0331 -18.0331 -18.0331 -18.0331 -15.0531 -15.0531 -15.0486 -15.0486 -15.0486 -15.0486 -10.9851 -10.9851 -10.7223 -10.7223 -10.7208 -10.7208 -10.1591 -10.1591 -10.1083 -10.1083 -9.9002 -9.9002 -9.8958 -9.8958 -9.8451 -9.8451 -9.8379 -9.8379 -4.3847 -4.3847 3.1176 3.1176 4.0671 4.0671 4.6725 4.6725 5.3753 5.3753 7.2436 7.2436 7.2499 7.2499 7.5476 7.5476 k = 0.0888 0.0513 0.1450 ( 6067 PWs) bands (ev): -27.3062 -27.3062 -26.4528 -26.4528 -26.4446 -26.4446 -18.0331 -18.0331 -18.0331 -18.0331 -15.0531 -15.0531 -15.0486 -15.0486 -15.0486 -15.0486 -10.9850 -10.9850 -10.7219 -10.7219 -10.7206 -10.7206 -10.1602 -10.1602 -10.1073 -10.1073 -9.9007 -9.9007 -9.8971 -9.8971 -9.8434 -9.8434 -9.8375 -9.8375 -4.3883 -4.3883 3.1435 3.1435 4.0934 4.0934 4.6810 4.6810 5.2890 5.2890 7.2293 7.2293 7.2384 7.2384 7.5743 7.5743 k = 0.0789 0.0456 0.1289 ( 6071 PWs) bands (ev): -27.3062 -27.3062 -26.4529 -26.4529 -26.4445 -26.4445 -18.0331 -18.0331 -18.0331 -18.0331 -15.0532 -15.0532 -15.0486 -15.0486 -15.0486 -15.0486 -10.9849 -10.9849 -10.7215 -10.7215 -10.7205 -10.7205 -10.1612 -10.1612 -10.1063 -10.1063 -9.9011 -9.9011 -9.8983 -9.8983 -9.8419 -9.8419 -9.8371 -9.8371 -4.3917 -4.3917 3.1685 3.1685 4.1225 4.1225 4.6884 4.6884 5.2039 5.2039 7.2162 7.2162 7.2263 7.2263 7.6017 7.6017 k = 0.0691 0.0399 0.1128 ( 6075 PWs) bands (ev): -27.3062 -27.3062 -26.4529 -26.4529 -26.4444 -26.4444 -18.0331 -18.0331 -18.0331 -18.0331 -15.0532 -15.0532 -15.0486 -15.0486 -15.0486 -15.0486 -10.9849 -10.9849 -10.7212 -10.7212 -10.7204 -10.7204 -10.1621 -10.1621 -10.1055 -10.1055 -9.9016 -9.9016 -9.8994 -9.8994 -9.8405 -9.8405 -9.8368 -9.8368 -4.3948 -4.3948 3.1920 3.1920 4.1543 4.1543 4.6948 4.6948 5.1207 5.1207 7.2044 7.2044 7.2140 7.2140 7.6288 7.6288 k = 0.0592 0.0342 0.0967 ( 6057 PWs) bands (ev): -27.3062 -27.3062 -26.4530 -26.4530 -26.4443 -26.4443 -18.0331 -18.0331 -18.0331 -18.0331 -15.0532 -15.0532 -15.0486 -15.0486 -15.0486 -15.0486 -10.9848 -10.9848 -10.7208 -10.7208 -10.7202 -10.7202 -10.1629 -10.1629 -10.1047 -10.1047 -9.9019 -9.9019 -9.9004 -9.9004 -9.8392 -9.8392 -9.8365 -9.8365 -4.3975 -4.3975 3.2135 3.2135 4.1890 4.1890 4.7001 4.7001 5.0400 5.0400 7.1941 7.1941 7.2023 7.2023 7.6547 7.6547 k = 0.0493 0.0285 0.0806 ( 6049 PWs) bands (ev): -27.3063 -27.3063 -26.4530 -26.4530 -26.4443 -26.4443 -18.0331 -18.0331 -18.0331 -18.0331 -15.0532 -15.0532 -15.0486 -15.0486 -15.0486 -15.0486 -10.9847 -10.9847 -10.7206 -10.7206 -10.7201 -10.7201 -10.1636 -10.1636 -10.1040 -10.1040 -9.9022 -9.9022 -9.9012 -9.9012 -9.8382 -9.8382 -9.8362 -9.8362 -4.3999 -4.3999 3.2325 3.2325 4.2263 4.2263 4.7045 4.7045 4.9627 4.9627 7.1853 7.1853 7.1916 7.1916 7.6785 7.6785 k = 0.0395 0.0228 0.0645 ( 6049 PWs) bands (ev): -27.3063 -27.3063 -26.4531 -26.4531 -26.4442 -26.4442 -18.0331 -18.0331 -18.0331 -18.0331 -15.0532 -15.0532 -15.0486 -15.0486 -15.0486 -15.0486 -10.9847 -10.9847 -10.7203 -10.7203 -10.7200 -10.7200 -10.1642 -10.1642 -10.1035 -10.1035 -9.9025 -9.9025 -9.9018 -9.9018 -9.8373 -9.8373 -9.8360 -9.8360 -4.4019 -4.4019 3.2486 3.2486 4.2654 4.2654 4.7080 4.7080 4.8900 4.8900 7.1780 7.1780 7.1824 7.1824 7.6992 7.6992 k = 0.0296 0.0171 0.0483 ( 6045 PWs) bands (ev): -27.3063 -27.3063 -26.4531 -26.4531 -26.4442 -26.4442 -18.0331 -18.0331 -18.0331 -18.0331 -15.0532 -15.0532 -15.0486 -15.0486 -15.0486 -15.0486 -10.9847 -10.9847 -10.7202 -10.7202 -10.7200 -10.7200 -10.1647 -10.1647 -10.1031 -10.1031 -9.9027 -9.9027 -9.9024 -9.9024 -9.8366 -9.8366 -9.8359 -9.8359 -4.4034 -4.4034 3.2614 3.2614 4.3048 4.3048 4.7107 4.7107 4.8241 4.8241 7.1723 7.1723 7.1749 7.1749 7.7158 7.7158 k = 0.0197 0.0114 0.0322 ( 6041 PWs) bands (ev): -27.3063 -27.3063 -26.4531 -26.4531 -26.4441 -26.4441 -18.0331 -18.0331 -18.0331 -18.0331 -15.0532 -15.0532 -15.0486 -15.0486 -15.0486 -15.0486 -10.9846 -10.9846 -10.7200 -10.7200 -10.7199 -10.7199 -10.1650 -10.1650 -10.1027 -10.1027 -9.9029 -9.9029 -9.9027 -9.9027 -9.8361 -9.8361 -9.8357 -9.8357 -4.4045 -4.4045 3.2708 3.2708 4.3414 4.3414 4.7126 4.7126 4.7683 4.7683 7.1682 7.1682 7.1694 7.1694 7.7271 7.7271 k = 0.0099 0.0057 0.0161 ( 6013 PWs) bands (ev): -27.3063 -27.3063 -26.4531 -26.4531 -26.4441 -26.4441 -18.0331 -18.0331 -18.0331 -18.0331 -15.0532 -15.0532 -15.0486 -15.0486 -15.0486 -15.0486 -10.9846 -10.9846 -10.7199 -10.7199 -10.7199 -10.7199 -10.1652 -10.1652 -10.1025 -10.1025 -9.9030 -9.9030 -9.9029 -9.9029 -9.8357 -9.8357 -9.8357 -9.8357 -4.4052 -4.4052 3.2765 3.2765 4.3693 4.3693 4.7137 4.7137 4.7288 4.7288 7.1657 7.1657 7.1660 7.1660 7.7314 7.7314 k = 0.0000 0.0000 0.0000 ( 5985 PWs) bands (ev): -27.3062 -27.3062 -26.4531 -26.4531 -26.4440 -26.4440 -18.0331 -18.0331 -18.0331 -18.0331 -15.0532 -15.0532 -15.0486 -15.0486 -15.0486 -15.0486 -10.9845 -10.9845 -10.7198 -10.7198 -10.7198 -10.7198 -10.1652 -10.1652 -10.1025 -10.1025 -9.9030 -9.9030 -9.9030 -9.9030 -9.8356 -9.8356 -9.8356 -9.8356 -4.4054 -4.4054 3.2784 3.2784 4.3801 4.3801 4.7140 4.7140 4.7140 4.7140 7.1649 7.1649 7.1649 7.1649 7.7318 7.7318 k = 0.0000 0.0000 0.0000 ( 5985 PWs) bands (ev): -27.3062 -27.3062 -26.4531 -26.4531 -26.4440 -26.4440 -18.0331 -18.0331 -18.0331 -18.0331 -15.0532 -15.0532 -15.0486 -15.0486 -15.0486 -15.0486 -10.9845 -10.9845 -10.7198 -10.7198 -10.7198 -10.7198 -10.1652 -10.1652 -10.1025 -10.1025 -9.9030 -9.9030 -9.9030 -9.9030 -9.8356 -9.8356 -9.8356 -9.8356 -4.4054 -4.4054 3.2784 3.2784 4.3801 4.3801 4.7140 4.7140 4.7140 4.7140 7.1649 7.1649 7.1649 7.1649 7.7318 7.7318 k = 0.0161 0.0093 0.0066 ( 6018 PWs) bands (ev): -27.3063 -27.3063 -26.4531 -26.4531 -26.4441 -26.4441 -18.0331 -18.0331 -18.0331 -18.0331 -15.0532 -15.0532 -15.0486 -15.0486 -15.0486 -15.0486 -10.9846 -10.9846 -10.7199 -10.7199 -10.7199 -10.7199 -10.1652 -10.1652 -10.1025 -10.1025 -9.9030 -9.9030 -9.9030 -9.9030 -9.8357 -9.8357 -9.8357 -9.8357 -4.4052 -4.4052 3.2765 3.2765 4.3692 4.3692 4.7137 4.7137 4.7288 4.7288 7.1659 7.1659 7.1659 7.1659 7.7315 7.7315 k = 0.0323 0.0186 0.0132 ( 6048 PWs) bands (ev): -27.3063 -27.3063 -26.4531 -26.4531 -26.4441 -26.4441 -18.0331 -18.0331 -18.0331 -18.0331 -15.0532 -15.0532 -15.0486 -15.0486 -15.0486 -15.0486 -10.9846 -10.9846 -10.7200 -10.7200 -10.7200 -10.7200 -10.1650 -10.1650 -10.1027 -10.1027 -9.9029 -9.9029 -9.9028 -9.9028 -9.8360 -9.8360 -9.8358 -9.8358 -4.4045 -4.4045 3.2708 3.2708 4.3413 4.3413 4.7126 4.7126 4.7683 4.7683 7.1687 7.1687 7.1689 7.1689 7.7287 7.7287 k = 0.0484 0.0279 0.0198 ( 6054 PWs) bands (ev): -27.3063 -27.3063 -26.4531 -26.4531 -26.4442 -26.4442 -18.0331 -18.0331 -18.0331 -18.0331 -15.0532 -15.0532 -15.0486 -15.0486 -15.0486 -15.0486 -10.9847 -10.9847 -10.7201 -10.7201 -10.7200 -10.7200 -10.1647 -10.1647 -10.1031 -10.1031 -9.9026 -9.9026 -9.9025 -9.9025 -9.8365 -9.8365 -9.8360 -9.8360 -4.4034 -4.4034 3.2614 3.2614 4.3047 4.3047 4.7108 4.7108 4.8241 4.8241 7.1734 7.1734 7.1739 7.1739 7.7204 7.7204 k = 0.0645 0.0372 0.0263 ( 6054 PWs) bands (ev): -27.3063 -27.3063 -26.4531 -26.4531 -26.4442 -26.4442 -18.0331 -18.0331 -18.0331 -18.0331 -15.0532 -15.0532 -15.0486 -15.0486 -15.0486 -15.0486 -10.9847 -10.9847 -10.7203 -10.7203 -10.7201 -10.7201 -10.1642 -10.1642 -10.1035 -10.1035 -9.9023 -9.9023 -9.9021 -9.9021 -9.8371 -9.8371 -9.8362 -9.8362 -4.4019 -4.4019 3.2485 3.2485 4.2652 4.2652 4.7083 4.7083 4.8900 4.8900 7.1799 7.1799 7.1808 7.1808 7.7076 7.7076 k = 0.0806 0.0466 0.0329 ( 6060 PWs) bands (ev): -27.3063 -27.3063 -26.4530 -26.4530 -26.4443 -26.4443 -18.0331 -18.0331 -18.0331 -18.0331 -15.0532 -15.0532 -15.0486 -15.0486 -15.0486 -15.0486 -10.9848 -10.9848 -10.7205 -10.7205 -10.7202 -10.7202 -10.1636 -10.1636 -10.1040 -10.1040 -9.9019 -9.9019 -9.9015 -9.9015 -9.8378 -9.8378 -9.8366 -9.8366 -4.3999 -4.3999 3.2323 3.2323 4.2259 4.2259 4.7052 4.7052 4.9623 4.9623 7.1881 7.1881 7.1895 7.1895 7.6919 7.6919 k = 0.0968 0.0559 0.0395 ( 6060 PWs) bands (ev): -27.3062 -27.3062 -26.4530 -26.4530 -26.4443 -26.4443 -18.0331 -18.0331 -18.0331 -18.0331 -15.0532 -15.0532 -15.0486 -15.0486 -15.0486 -15.0486 -10.9848 -10.9848 -10.7207 -10.7207 -10.7204 -10.7204 -10.1629 -10.1629 -10.1047 -10.1047 -9.9014 -9.9014 -9.9009 -9.9009 -9.8388 -9.8388 -9.8370 -9.8370 -4.3975 -4.3975 3.2132 3.2132 4.1886 4.1886 4.7015 4.7015 5.0389 5.0389 7.1979 7.1979 7.1998 7.1998 7.6746 7.6746 k = 0.1129 0.0652 0.0461 ( 6063 PWs) bands (ev): -27.3062 -27.3062 -26.4529 -26.4529 -26.4444 -26.4444 -18.0331 -18.0331 -18.0331 -18.0331 -15.0532 -15.0532 -15.0486 -15.0486 -15.0486 -15.0486 -10.9849 -10.9849 -10.7209 -10.7209 -10.7205 -10.7205 -10.1621 -10.1621 -10.1054 -10.1054 -9.9008 -9.9008 -9.9002 -9.9002 -9.8399 -9.8399 -9.8374 -9.8374 -4.3948 -4.3948 3.1914 3.1914 4.1538 4.1538 4.6972 4.6972 5.1183 5.1183 7.2092 7.2092 7.2117 7.2117 7.6566 7.6566 k = 0.1290 0.0745 0.0527 ( 6075 PWs) bands (ev): -27.3062 -27.3062 -26.4529 -26.4529 -26.4445 -26.4445 -18.0331 -18.0331 -18.0331 -18.0331 -15.0532 -15.0532 -15.0486 -15.0486 -15.0486 -15.0486 -10.9850 -10.9850 -10.7212 -10.7212 -10.7207 -10.7207 -10.1612 -10.1612 -10.1063 -10.1063 -9.9002 -9.9002 -9.8993 -9.8993 -9.8411 -9.8411 -9.8380 -9.8380 -4.3917 -4.3917 3.1676 3.1676 4.1218 4.1218 4.6924 4.6924 5.1994 5.1994 7.2219 7.2219 7.2251 7.2251 7.6391 7.6391 k = 0.1452 0.0838 0.0593 ( 6072 PWs) bands (ev): -27.3062 -27.3062 -26.4528 -26.4528 -26.4446 -26.4446 -18.0331 -18.0331 -18.0331 -18.0331 -15.0531 -15.0531 -15.0486 -15.0486 -15.0486 -15.0486 -10.9850 -10.9850 -10.7215 -10.7215 -10.7209 -10.7209 -10.1602 -10.1602 -10.1072 -10.1072 -9.8994 -9.8994 -9.8984 -9.8984 -9.8424 -9.8424 -9.8386 -9.8386 -4.3883 -4.3883 3.1419 3.1419 4.0928 4.0928 4.6872 4.6872 5.2812 5.2812 7.2357 7.2357 7.2396 7.2396 7.6234 7.6234 k = 0.1613 0.0931 0.0658 ( 6078 PWs) bands (ev): -27.3062 -27.3062 -26.4527 -26.4527 -26.4447 -26.4447 -18.0331 -18.0331 -18.0331 -18.0331 -15.0531 -15.0531 -15.0486 -15.0486 -15.0486 -15.0486 -10.9851 -10.9851 -10.7219 -10.7219 -10.7211 -10.7211 -10.1591 -10.1591 -10.1082 -10.1082 -9.8986 -9.8986 -9.8974 -9.8974 -9.8438 -9.8438 -9.8392 -9.8392 -4.3847 -4.3847 3.1151 3.1151 4.0666 4.0666 4.6816 4.6816 5.3628 5.3628 7.2505 7.2505 7.2551 7.2551 7.6108 7.6108 k = 0.1774 0.1024 0.0724 ( 6084 PWs) bands (ev): -27.3061 -27.3061 -26.4526 -26.4526 -26.4448 -26.4448 -18.0331 -18.0331 -18.0331 -18.0331 -15.0531 -15.0531 -15.0486 -15.0486 -15.0486 -15.0486 -10.9852 -10.9852 -10.7223 -10.7223 -10.7214 -10.7214 -10.1580 -10.1580 -10.1093 -10.1093 -9.8977 -9.8977 -9.8964 -9.8964 -9.8454 -9.8454 -9.8400 -9.8400 -4.3808 -4.3808 3.0873 3.0873 4.0431 4.0431 4.6758 4.6758 5.4432 5.4432 7.2662 7.2662 7.2715 7.2715 7.6023 7.6023 k = 0.1935 0.1117 0.0790 ( 6066 PWs) bands (ev): -27.3061 -27.3061 -26.4525 -26.4525 -26.4450 -26.4450 -18.0331 -18.0331 -18.0330 -18.0330 -15.0531 -15.0531 -15.0486 -15.0486 -15.0486 -15.0486 -10.9853 -10.9853 -10.7226 -10.7226 -10.7216 -10.7216 -10.1568 -10.1568 -10.1104 -10.1104 -9.8967 -9.8967 -9.8953 -9.8953 -9.8470 -9.8470 -9.8408 -9.8408 -4.3767 -4.3767 3.0592 3.0592 4.0219 4.0219 4.6697 4.6697 5.5215 5.5215 7.2824 7.2824 7.2885 7.2885 7.5992 7.5992 k = 0.2097 0.1211 0.0856 ( 6060 PWs) bands (ev): -27.3061 -27.3061 -26.4524 -26.4524 -26.4451 -26.4451 -18.0331 -18.0331 -18.0330 -18.0330 -15.0531 -15.0531 -15.0486 -15.0486 -15.0486 -15.0486 -10.9854 -10.9854 -10.7230 -10.7230 -10.7218 -10.7218 -10.1555 -10.1555 -10.1115 -10.1115 -9.8957 -9.8957 -9.8941 -9.8941 -9.8486 -9.8486 -9.8416 -9.8416 -4.3725 -4.3725 3.0309 3.0309 4.0030 4.0030 4.6634 4.6634 5.5969 5.5969 7.2991 7.2991 7.3059 7.3059 7.6026 7.6026 k = 0.2258 0.1304 0.0922 ( 6069 PWs) bands (ev): -27.3060 -27.3060 -26.4523 -26.4523 -26.4453 -26.4453 -18.0331 -18.0331 -18.0330 -18.0330 -15.0530 -15.0530 -15.0486 -15.0486 -15.0486 -15.0486 -10.9855 -10.9855 -10.7234 -10.7234 -10.7221 -10.7221 -10.1542 -10.1542 -10.1126 -10.1126 -9.8947 -9.8947 -9.8930 -9.8930 -9.8503 -9.8503 -9.8425 -9.8425 -4.3682 -4.3682 3.0030 3.0030 3.9860 3.9860 4.6571 4.6571 5.6684 5.6684 7.3161 7.3161 7.3234 7.3234 7.6135 7.6135 k = 0.2419 0.1397 0.0988 ( 6063 PWs) bands (ev): -27.3060 -27.3060 -26.4521 -26.4521 -26.4454 -26.4454 -18.0331 -18.0331 -18.0330 -18.0330 -15.0530 -15.0530 -15.0486 -15.0486 -15.0486 -15.0486 -10.9855 -10.9855 -10.7238 -10.7238 -10.7224 -10.7224 -10.1530 -10.1530 -10.1138 -10.1138 -9.8935 -9.8935 -9.8918 -9.8918 -9.8520 -9.8520 -9.8434 -9.8434 -4.3638 -4.3638 2.9757 2.9757 3.9707 3.9707 4.6508 4.6508 5.7353 5.7353 7.3332 7.3332 7.3410 7.3410 7.6324 7.6324 k = 0.2581 0.1490 0.1054 ( 6069 PWs) bands (ev): -27.3060 -27.3060 -26.4520 -26.4520 -26.4456 -26.4456 -18.0331 -18.0331 -18.0330 -18.0330 -15.0530 -15.0530 -15.0486 -15.0486 -15.0485 -15.0485 -10.9856 -10.9856 -10.7242 -10.7242 -10.7226 -10.7226 -10.1517 -10.1517 -10.1149 -10.1149 -9.8924 -9.8924 -9.8906 -9.8906 -9.8538 -9.8538 -9.8444 -9.8444 -4.3594 -4.3594 2.9492 2.9492 3.9570 3.9570 4.6445 4.6445 5.7970 5.7970 7.3503 7.3503 7.3584 7.3584 7.6598 7.6598 k = 0.2742 0.1583 0.1119 ( 6081 PWs) bands (ev): -27.3060 -27.3060 -26.4518 -26.4518 -26.4458 -26.4458 -18.0331 -18.0331 -18.0330 -18.0330 -15.0530 -15.0530 -15.0486 -15.0486 -15.0485 -15.0485 -10.9858 -10.9858 -10.7246 -10.7246 -10.7229 -10.7229 -10.1505 -10.1505 -10.1160 -10.1160 -9.8911 -9.8911 -9.8894 -9.8894 -9.8556 -9.8556 -9.8454 -9.8454 -4.3550 -4.3550 2.9238 2.9238 3.9448 3.9448 4.6383 4.6383 5.8530 5.8530 7.3671 7.3671 7.3754 7.3754 7.6954 7.6954 k = 0.2903 0.1676 0.1185 ( 6069 PWs) bands (ev): -27.3059 -27.3059 -26.4517 -26.4517 -26.4460 -26.4460 -18.0331 -18.0331 -18.0330 -18.0330 -15.0529 -15.0529 -15.0486 -15.0486 -15.0485 -15.0485 -10.9858 -10.9858 -10.7250 -10.7250 -10.7231 -10.7231 -10.1492 -10.1492 -10.1171 -10.1171 -9.8899 -9.8899 -9.8883 -9.8883 -9.8573 -9.8573 -9.8465 -9.8465 -4.3508 -4.3508 2.8996 2.8996 3.9338 3.9338 4.6323 4.6323 5.9033 5.9033 7.3836 7.3836 7.3918 7.3918 7.7381 7.7381 k = 0.3065 0.1769 0.1251 ( 6063 PWs) bands (ev): -27.3059 -27.3059 -26.4515 -26.4515 -26.4462 -26.4462 -18.0331 -18.0331 -18.0330 -18.0330 -15.0529 -15.0529 -15.0486 -15.0486 -15.0485 -15.0485 -10.9859 -10.9859 -10.7253 -10.7253 -10.7234 -10.7234 -10.1481 -10.1481 -10.1181 -10.1181 -9.8886 -9.8886 -9.8871 -9.8871 -9.8590 -9.8590 -9.8476 -9.8476 -4.3466 -4.3466 2.8769 2.8769 3.9239 3.9239 4.6265 4.6265 5.9477 5.9477 7.3995 7.3995 7.4075 7.4075 7.7842 7.7842 k = 0.3226 0.1862 0.1317 ( 6069 PWs) bands (ev): -27.3059 -27.3059 -26.4513 -26.4513 -26.4464 -26.4464 -18.0331 -18.0331 -18.0330 -18.0330 -15.0529 -15.0529 -15.0486 -15.0486 -15.0485 -15.0485 -10.9860 -10.9860 -10.7257 -10.7257 -10.7236 -10.7236 -10.1470 -10.1470 -10.1191 -10.1191 -9.8873 -9.8873 -9.8860 -9.8860 -9.8606 -9.8606 -9.8487 -9.8487 -4.3426 -4.3426 2.8556 2.8556 3.9152 3.9152 4.6209 4.6209 5.9867 5.9867 7.4146 7.4146 7.4224 7.4224 7.8234 7.8234 k = 0.3387 0.1956 0.1383 ( 6066 PWs) bands (ev): -27.3058 -27.3058 -26.4511 -26.4511 -26.4466 -26.4466 -18.0331 -18.0331 -18.0330 -18.0330 -15.0529 -15.0529 -15.0485 -15.0485 -15.0485 -15.0485 -10.9861 -10.9861 -10.7260 -10.7260 -10.7238 -10.7238 -10.1460 -10.1460 -10.1199 -10.1199 -9.8860 -9.8860 -9.8849 -9.8849 -9.8622 -9.8622 -9.8498 -9.8498 -4.3388 -4.3388 2.8360 2.8360 3.9074 3.9074 4.6157 4.6157 6.0206 6.0206 7.4289 7.4289 7.4363 7.4363 7.8291 7.8291 k = 0.3548 0.2049 0.1449 ( 6084 PWs) bands (ev): -27.3058 -27.3058 -26.4509 -26.4509 -26.4468 -26.4468 -18.0331 -18.0331 -18.0329 -18.0329 -15.0529 -15.0529 -15.0485 -15.0485 -15.0485 -15.0485 -10.9862 -10.9862 -10.7264 -10.7264 -10.7240 -10.7240 -10.1450 -10.1450 -10.1208 -10.1208 -9.8847 -9.8847 -9.8839 -9.8839 -9.8637 -9.8637 -9.8510 -9.8510 -4.3352 -4.3352 2.8180 2.8180 3.9004 3.9004 4.6109 4.6109 6.0500 6.0500 7.4421 7.4421 7.4491 7.4491 7.7922 7.7922 k = 0.3710 0.2142 0.1514 ( 6089 PWs) bands (ev): -27.3058 -27.3058 -26.4507 -26.4507 -26.4471 -26.4471 -18.0331 -18.0331 -18.0329 -18.0329 -15.0528 -15.0528 -15.0485 -15.0485 -15.0485 -15.0485 -10.9863 -10.9863 -10.7267 -10.7267 -10.7242 -10.7242 -10.1442 -10.1442 -10.1214 -10.1214 -9.8834 -9.8834 -9.8829 -9.8829 -9.8651 -9.8651 -9.8522 -9.8522 -4.3319 -4.3319 2.8018 2.8018 3.8944 3.8944 4.6065 4.6065 6.0753 6.0753 7.4541 7.4541 7.4608 7.4608 7.7401 7.7401 k = 0.3871 0.2235 0.1580 ( 6089 PWs) bands (ev): -27.3058 -27.3058 -26.4505 -26.4505 -26.4473 -26.4473 -18.0331 -18.0331 -18.0329 -18.0329 -15.0528 -15.0528 -15.0485 -15.0485 -15.0485 -15.0485 -10.9864 -10.9864 -10.7269 -10.7269 -10.7244 -10.7244 -10.1435 -10.1435 -10.1220 -10.1220 -9.8822 -9.8822 -9.8820 -9.8820 -9.8665 -9.8665 -9.8533 -9.8533 -4.3289 -4.3289 2.7875 2.7875 3.8891 3.8891 4.6025 4.6025 6.0970 6.0970 7.4649 7.4649 7.4713 7.4713 7.6871 7.6871 k = 0.4032 0.2328 0.1646 ( 6077 PWs) bands (ev): -27.3058 -27.3058 -26.4503 -26.4503 -26.4475 -26.4475 -18.0331 -18.0331 -18.0329 -18.0329 -15.0528 -15.0528 -15.0485 -15.0485 -15.0485 -15.0485 -10.9864 -10.9864 -10.7271 -10.7271 -10.7246 -10.7246 -10.1429 -10.1429 -10.1225 -10.1225 -9.8812 -9.8812 -9.8810 -9.8810 -9.8677 -9.8677 -9.8543 -9.8543 -4.3263 -4.3263 2.7749 2.7749 3.8846 3.8846 4.5990 4.5990 6.1156 6.1156 7.4743 7.4743 7.4804 7.4804 7.6377 7.6377 k = 0.4194 0.2421 0.1712 ( 6089 PWs) bands (ev): -27.3058 -27.3058 -26.4501 -26.4501 -26.4477 -26.4477 -18.0331 -18.0331 -18.0329 -18.0329 -15.0528 -15.0528 -15.0485 -15.0485 -15.0485 -15.0485 -10.9865 -10.9865 -10.7273 -10.7273 -10.7247 -10.7247 -10.1425 -10.1425 -10.1229 -10.1229 -9.8804 -9.8804 -9.8799 -9.8799 -9.8688 -9.8688 -9.8554 -9.8554 -4.3240 -4.3240 2.7643 2.7643 3.8809 3.8809 4.5959 4.5959 6.1312 6.1312 7.4824 7.4824 7.4882 7.4882 7.5938 7.5938 k = 0.4355 0.2514 0.1778 ( 6074 PWs) bands (ev): -27.3057 -27.3057 -26.4499 -26.4499 -26.4480 -26.4480 -18.0331 -18.0331 -18.0329 -18.0329 -15.0528 -15.0528 -15.0485 -15.0485 -15.0484 -15.0484 -10.9865 -10.9865 -10.7275 -10.7275 -10.7248 -10.7248 -10.1421 -10.1421 -10.1232 -10.1232 -9.8797 -9.8797 -9.8789 -9.8789 -9.8697 -9.8697 -9.8563 -9.8563 -4.3221 -4.3221 2.7556 2.7556 3.8778 3.8778 4.5934 4.5934 6.1439 6.1439 7.4890 7.4890 7.4947 7.4947 7.5566 7.5566 k = 0.4516 0.2607 0.1844 ( 6065 PWs) bands (ev): -27.3057 -27.3057 -26.4497 -26.4497 -26.4482 -26.4482 -18.0331 -18.0331 -18.0329 -18.0329 -15.0528 -15.0528 -15.0485 -15.0485 -15.0484 -15.0484 -10.9865 -10.9865 -10.7276 -10.7276 -10.7249 -10.7249 -10.1418 -10.1418 -10.1234 -10.1234 -9.8791 -9.8791 -9.8780 -9.8780 -9.8705 -9.8705 -9.8571 -9.8571 -4.3206 -4.3206 2.7488 2.7488 3.8755 3.8755 4.5915 4.5915 6.1539 6.1539 7.4940 7.4940 7.4997 7.4997 7.5270 7.5270 k = 0.4677 0.2701 0.1910 ( 6083 PWs) bands (ev): -27.3057 -27.3057 -26.4494 -26.4494 -26.4484 -26.4484 -18.0331 -18.0331 -18.0329 -18.0329 -15.0528 -15.0528 -15.0485 -15.0485 -15.0484 -15.0484 -10.9866 -10.9866 -10.7277 -10.7277 -10.7250 -10.7250 -10.1416 -10.1416 -10.1235 -10.1235 -9.8786 -9.8786 -9.8774 -9.8774 -9.8712 -9.8712 -9.8577 -9.8577 -4.3195 -4.3195 2.7439 2.7439 3.8738 3.8738 4.5901 4.5901 6.1611 6.1611 7.4969 7.4969 7.5033 7.5033 7.5061 7.5061 k = 0.4839 0.2794 0.1975 ( 6086 PWs) bands (ev): -27.3057 -27.3057 -26.4492 -26.4492 -26.4487 -26.4487 -18.0331 -18.0331 -18.0329 -18.0329 -15.0528 -15.0528 -15.0485 -15.0485 -15.0484 -15.0484 -10.9866 -10.9866 -10.7278 -10.7278 -10.7250 -10.7250 -10.1415 -10.1415 -10.1236 -10.1236 -9.8783 -9.8783 -9.8769 -9.8769 -9.8716 -9.8716 -9.8581 -9.8581 -4.3189 -4.3189 2.7410 2.7410 3.8728 3.8728 4.5892 4.5892 6.1655 6.1655 7.4907 7.4907 7.5013 7.5013 7.5055 7.5055 k = 0.5000 0.2887 0.2041 ( 6062 PWs) bands (ev): -27.3057 -27.3057 -26.4491 -26.4491 -26.4488 -26.4488 -18.0331 -18.0331 -18.0329 -18.0329 -15.0528 -15.0528 -15.0485 -15.0485 -15.0484 -15.0484 -10.9866 -10.9866 -10.7278 -10.7278 -10.7250 -10.7250 -10.1415 -10.1415 -10.1236 -10.1236 -9.8782 -9.8782 -9.8768 -9.8768 -9.8717 -9.8717 -9.8582 -9.8582 -4.3187 -4.3187 2.7400 2.7400 3.8725 3.8725 4.5889 4.5889 6.1670 6.1670 7.4866 7.4866 7.5017 7.5017 7.5062 7.5062 k = 0.5000 0.2887 0.2041 ( 6062 PWs) bands (ev): -27.3057 -27.3057 -26.4491 -26.4491 -26.4488 -26.4488 -18.0331 -18.0331 -18.0329 -18.0329 -15.0528 -15.0528 -15.0485 -15.0485 -15.0484 -15.0484 -10.9866 -10.9866 -10.7278 -10.7278 -10.7250 -10.7250 -10.1415 -10.1415 -10.1236 -10.1236 -9.8782 -9.8782 -9.8768 -9.8768 -9.8717 -9.8717 -9.8582 -9.8582 -4.3187 -4.3187 2.7400 2.7400 3.8725 3.8725 4.5889 4.5889 6.1670 6.1670 7.4866 7.4866 7.5017 7.5017 7.5062 7.5062 k = 0.5057 0.2723 0.2134 ( 6087 PWs) bands (ev): -27.3057 -27.3057 -26.4491 -26.4491 -26.4488 -26.4488 -18.0331 -18.0331 -18.0329 -18.0329 -15.0528 -15.0528 -15.0485 -15.0485 -15.0484 -15.0484 -10.9866 -10.9866 -10.7278 -10.7278 -10.7250 -10.7250 -10.1415 -10.1415 -10.1237 -10.1237 -9.8783 -9.8783 -9.8771 -9.8771 -9.8713 -9.8713 -9.8581 -9.8581 -4.3186 -4.3186 2.7407 2.7407 3.8719 3.8719 4.5866 4.5866 6.1723 6.1723 7.4088 7.4088 7.5055 7.5055 7.5808 7.5808 k = 0.5114 0.2559 0.2227 ( 6087 PWs) bands (ev): -27.3057 -27.3057 -26.4491 -26.4491 -26.4488 -26.4488 -18.0331 -18.0331 -18.0329 -18.0329 -15.0528 -15.0528 -15.0485 -15.0485 -15.0484 -15.0484 -10.9866 -10.9866 -10.7278 -10.7278 -10.7251 -10.7251 -10.1414 -10.1414 -10.1238 -10.1238 -9.8786 -9.8786 -9.8779 -9.8779 -9.8705 -9.8705 -9.8579 -9.8579 -4.3184 -4.3184 2.7430 2.7430 3.8700 3.8700 4.5796 4.5796 6.1883 6.1883 7.3228 7.3228 7.5100 7.5100 7.6636 7.6636 k = 0.5170 0.2395 0.2320 ( 6087 PWs) bands (ev): -27.3057 -27.3057 -26.4491 -26.4491 -26.4488 -26.4488 -18.0331 -18.0331 -18.0329 -18.0329 -15.0528 -15.0528 -15.0485 -15.0485 -15.0484 -15.0484 -10.9866 -10.9866 -10.7279 -10.7279 -10.7251 -10.7251 -10.1413 -10.1413 -10.1240 -10.1240 -9.8792 -9.8792 -9.8787 -9.8787 -9.8693 -9.8693 -9.8575 -9.8575 -4.3180 -4.3180 2.7467 2.7467 3.8670 3.8670 4.5686 4.5686 6.2142 6.2142 7.2370 7.2370 7.5175 7.5175 7.7433 7.7433 k = 0.5227 0.2231 0.2412 ( 6087 PWs) bands (ev): -27.3057 -27.3057 -26.4491 -26.4491 -26.4488 -26.4488 -18.0331 -18.0331 -18.0329 -18.0329 -15.0528 -15.0528 -15.0485 -15.0485 -15.0484 -15.0484 -10.9866 -10.9866 -10.7279 -10.7279 -10.7252 -10.7252 -10.1412 -10.1412 -10.1243 -10.1243 -9.8802 -9.8802 -9.8794 -9.8794 -9.8680 -9.8680 -9.8570 -9.8570 -4.3175 -4.3175 2.7518 2.7518 3.8628 3.8628 4.5540 4.5540 6.2492 6.2492 7.1521 7.1521 7.5281 7.5281 7.8173 7.8173 k = 0.5284 0.2067 0.2505 ( 6077 PWs) bands (ev): -27.3057 -27.3057 -26.4491 -26.4491 -26.4488 -26.4488 -18.0331 -18.0331 -18.0329 -18.0329 -15.0527 -15.0527 -15.0485 -15.0485 -15.0484 -15.0484 -10.9866 -10.9866 -10.7280 -10.7280 -10.7252 -10.7252 -10.1410 -10.1410 -10.1246 -10.1246 -9.8813 -9.8813 -9.8800 -9.8800 -9.8667 -9.8667 -9.8563 -9.8563 -4.3169 -4.3169 2.7583 2.7583 3.8575 3.8575 4.5367 4.5367 6.2922 6.2922 7.0688 7.0688 7.5416 7.5416 7.8818 7.8818 k = 0.5341 0.1903 0.2598 ( 6071 PWs) bands (ev): -27.3057 -27.3057 -26.4491 -26.4491 -26.4488 -26.4488 -18.0331 -18.0331 -18.0329 -18.0329 -15.0527 -15.0527 -15.0485 -15.0485 -15.0484 -15.0484 -10.9867 -10.9867 -10.7282 -10.7282 -10.7253 -10.7253 -10.1408 -10.1408 -10.1250 -10.1250 -9.8824 -9.8824 -9.8807 -9.8807 -9.8653 -9.8653 -9.8556 -9.8556 -4.3162 -4.3162 2.7659 2.7659 3.8512 3.8512 4.5175 4.5175 6.3416 6.3416 6.9880 6.9880 7.5581 7.5581 7.9301 7.9301 k = 0.5398 0.1739 0.2691 ( 6075 PWs) bands (ev): -27.3057 -27.3057 -26.4491 -26.4491 -26.4488 -26.4488 -18.0331 -18.0331 -18.0329 -18.0329 -15.0527 -15.0527 -15.0485 -15.0485 -15.0484 -15.0484 -10.9867 -10.9867 -10.7284 -10.7284 -10.7253 -10.7253 -10.1406 -10.1406 -10.1254 -10.1254 -9.8835 -9.8835 -9.8815 -9.8815 -9.8639 -9.8639 -9.8549 -9.8549 -4.3153 -4.3153 2.7745 2.7745 3.8441 3.8441 4.4971 4.4971 6.3952 6.3952 6.9110 6.9110 7.5776 7.5776 7.9547 7.9547 k = 0.5455 0.1575 0.2784 ( 6075 PWs) bands (ev): -27.3057 -27.3057 -26.4491 -26.4491 -26.4488 -26.4488 -18.0331 -18.0331 -18.0329 -18.0329 -15.0527 -15.0527 -15.0485 -15.0485 -15.0484 -15.0484 -10.9867 -10.9867 -10.7286 -10.7286 -10.7253 -10.7253 -10.1404 -10.1404 -10.1259 -10.1259 -9.8845 -9.8845 -9.8823 -9.8823 -9.8625 -9.8625 -9.8541 -9.8541 -4.3144 -4.3144 2.7840 2.7840 3.8364 3.8364 4.4764 4.4764 6.4494 6.4494 6.8404 6.8404 7.5999 7.5999 7.9535 7.9535 k = 0.5511 0.1411 0.2876 ( 6078 PWs) bands (ev): -27.3056 -27.3056 -26.4491 -26.4491 -26.4489 -26.4489 -18.0331 -18.0331 -18.0329 -18.0329 -15.0527 -15.0527 -15.0485 -15.0485 -15.0484 -15.0484 -10.9868 -10.9868 -10.7289 -10.7289 -10.7253 -10.7253 -10.1401 -10.1401 -10.1265 -10.1265 -9.8855 -9.8855 -9.8831 -9.8831 -9.8611 -9.8611 -9.8534 -9.8534 -4.3134 -4.3134 2.7942 2.7942 3.8283 3.8283 4.4558 4.4558 6.4968 6.4968 6.7829 6.7829 7.6250 7.6250 7.9325 7.9325 k = 0.5568 0.1247 0.2969 ( 6071 PWs) bands (ev): -27.3056 -27.3056 -26.4491 -26.4491 -26.4488 -26.4488 -18.0331 -18.0331 -18.0329 -18.0329 -15.0527 -15.0527 -15.0485 -15.0485 -15.0484 -15.0484 -10.9868 -10.9868 -10.7293 -10.7293 -10.7252 -10.7252 -10.1399 -10.1399 -10.1270 -10.1270 -9.8865 -9.8865 -9.8839 -9.8839 -9.8597 -9.8597 -9.8526 -9.8526 -4.3123 -4.3123 2.8047 2.8047 3.8200 3.8200 4.4360 4.4360 6.5202 6.5202 6.7541 6.7541 7.6528 7.6528 7.8996 7.8996 k = 0.5625 0.1083 0.3062 ( 6074 PWs) bands (ev): -27.3056 -27.3056 -26.4491 -26.4491 -26.4488 -26.4488 -18.0330 -18.0330 -18.0329 -18.0329 -15.0527 -15.0527 -15.0485 -15.0485 -15.0484 -15.0484 -10.9869 -10.9869 -10.7297 -10.7297 -10.7251 -10.7251 -10.1397 -10.1397 -10.1275 -10.1275 -9.8874 -9.8874 -9.8847 -9.8847 -9.8584 -9.8584 -9.8518 -9.8518 -4.3112 -4.3112 2.8155 2.8155 3.8118 3.8118 4.4174 4.4174 6.5029 6.5029 6.7697 6.7697 7.6831 7.6831 7.8612 7.8612 k = 0.5682 0.0919 0.3155 ( 6070 PWs) bands (ev): -27.3056 -27.3056 -26.4491 -26.4491 -26.4488 -26.4488 -18.0330 -18.0330 -18.0329 -18.0329 -15.0527 -15.0527 -15.0485 -15.0485 -15.0484 -15.0484 -10.9869 -10.9869 -10.7301 -10.7301 -10.7250 -10.7250 -10.1395 -10.1395 -10.1280 -10.1280 -9.8883 -9.8883 -9.8854 -9.8854 -9.8571 -9.8571 -9.8511 -9.8511 -4.3100 -4.3100 2.8262 2.8262 3.8041 3.8041 4.4002 4.4002 6.4572 6.4572 6.8155 6.8155 7.7150 7.7150 7.8226 7.8226 k = 0.5739 0.0754 0.3247 ( 6068 PWs) bands (ev): -27.3056 -27.3056 -26.4492 -26.4492 -26.4488 -26.4488 -18.0330 -18.0330 -18.0329 -18.0329 -15.0527 -15.0527 -15.0485 -15.0485 -15.0484 -15.0484 -10.9870 -10.9870 -10.7305 -10.7305 -10.7248 -10.7248 -10.1394 -10.1394 -10.1284 -10.1284 -9.8891 -9.8891 -9.8862 -9.8862 -9.8559 -9.8559 -9.8504 -9.8504 -4.3089 -4.3089 2.8365 2.8365 3.7973 3.7973 4.3847 4.3847 6.4012 6.4012 6.8709 6.8709 7.7439 7.7439 7.7924 7.7924 k = 0.5795 0.0590 0.3340 ( 6059 PWs) bands (ev): -27.3056 -27.3056 -26.4492 -26.4492 -26.4488 -26.4488 -18.0330 -18.0330 -18.0329 -18.0329 -15.0527 -15.0527 -15.0485 -15.0485 -15.0484 -15.0484 -10.9870 -10.9870 -10.7310 -10.7310 -10.7247 -10.7247 -10.1393 -10.1393 -10.1288 -10.1288 -9.8899 -9.8899 -9.8869 -9.8869 -9.8547 -9.8547 -9.8497 -9.8497 -4.3077 -4.3077 2.8461 2.8461 3.7916 3.7916 4.3711 4.3711 6.3430 6.3430 6.9250 6.9250 7.7418 7.7418 7.8022 7.8022 k = 0.5852 0.0426 0.3433 ( 6054 PWs) bands (ev): -27.3056 -27.3056 -26.4492 -26.4492 -26.4487 -26.4487 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0484 -15.0484 -10.9871 -10.9871 -10.7314 -10.7314 -10.7245 -10.7245 -10.1393 -10.1393 -10.1292 -10.1292 -9.8906 -9.8906 -9.8875 -9.8875 -9.8535 -9.8535 -9.8491 -9.8491 -4.3066 -4.3066 2.8549 2.8549 3.7873 3.7873 4.3594 4.3594 6.2857 6.2857 6.9710 6.9710 7.7256 7.7256 7.8388 7.8388 k = 0.5909 0.0262 0.3526 ( 6059 PWs) bands (ev): -27.3055 -27.3055 -26.4493 -26.4493 -26.4487 -26.4487 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0484 -15.0484 -10.9871 -10.9871 -10.7319 -10.7319 -10.7243 -10.7243 -10.1394 -10.1394 -10.1295 -10.1295 -9.8912 -9.8912 -9.8881 -9.8881 -9.8525 -9.8525 -9.8485 -9.8485 -4.3055 -4.3055 2.8626 2.8626 3.7848 3.7848 4.3497 4.3497 6.2309 6.2309 7.0037 7.0037 7.7201 7.7201 7.8804 7.8804 k = 0.5966 0.0098 0.3619 ( 6052 PWs) bands (ev): -27.3055 -27.3055 -26.4493 -26.4493 -26.4486 -26.4486 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0484 -15.0484 -10.9872 -10.9872 -10.7323 -10.7323 -10.7240 -10.7240 -10.1395 -10.1395 -10.1297 -10.1297 -9.8918 -9.8918 -9.8887 -9.8887 -9.8515 -9.8515 -9.8480 -9.8480 -4.3046 -4.3046 2.8689 2.8689 3.7842 3.7842 4.3421 4.3421 6.1791 6.1791 7.0202 7.0202 7.7293 7.7293 7.9242 7.9242 k = 0.6023-0.0066 0.3711 ( 6042 PWs) bands (ev): -27.3055 -27.3055 -26.4494 -26.4494 -26.4486 -26.4486 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0484 -15.0484 -10.9872 -10.9872 -10.7328 -10.7328 -10.7238 -10.7238 -10.1396 -10.1396 -10.1298 -10.1298 -9.8922 -9.8922 -9.8892 -9.8892 -9.8507 -9.8507 -9.8474 -9.8474 -4.3037 -4.3037 2.8739 2.8739 3.7855 3.7855 4.3366 4.3366 6.1309 6.1309 7.0202 7.0202 7.7520 7.7520 7.9692 7.9692 k = 0.6080-0.0230 0.3804 ( 6038 PWs) bands (ev): -27.3055 -27.3055 -26.4495 -26.4495 -26.4485 -26.4485 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0484 -15.0484 -10.9872 -10.9872 -10.7332 -10.7332 -10.7236 -10.7236 -10.1398 -10.1398 -10.1299 -10.1299 -9.8927 -9.8927 -9.8897 -9.8897 -9.8500 -9.8500 -9.8469 -9.8469 -4.3029 -4.3029 2.8773 2.8773 3.7887 3.7887 4.3332 4.3332 6.0866 6.0866 7.0061 7.0061 7.7835 7.7835 8.0143 8.0143 k = 0.6136-0.0394 0.3897 ( 6034 PWs) bands (ev): -27.3055 -27.3055 -26.4495 -26.4495 -26.4485 -26.4485 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0484 -15.0484 -10.9873 -10.9873 -10.7336 -10.7336 -10.7233 -10.7233 -10.1400 -10.1400 -10.1300 -10.1300 -9.8930 -9.8930 -9.8901 -9.8901 -9.8495 -9.8495 -9.8463 -9.8463 -4.3023 -4.3023 2.8792 2.8792 3.7938 3.7938 4.3321 4.3321 6.0465 6.0465 6.9816 6.9816 7.8172 7.8172 8.0581 8.0581 k = 0.6193-0.0558 0.3990 ( 6038 PWs) bands (ev): -27.3055 -27.3055 -26.4496 -26.4496 -26.4484 -26.4484 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0483 -15.0483 -10.9873 -10.9873 -10.7339 -10.7339 -10.7231 -10.7231 -10.1401 -10.1401 -10.1301 -10.1301 -9.8933 -9.8933 -9.8905 -9.8905 -9.8492 -9.8492 -9.8457 -9.8457 -4.3018 -4.3018 2.8797 2.8797 3.8005 3.8005 4.3332 4.3332 6.0107 6.0107 6.9503 6.9503 7.8465 7.8465 8.0986 8.0986 k = 0.6250-0.0722 0.4082 ( 6042 PWs) bands (ev): -27.3055 -27.3055 -26.4497 -26.4497 -26.4483 -26.4483 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0483 -15.0483 -10.9873 -10.9873 -10.7342 -10.7342 -10.7229 -10.7229 -10.1402 -10.1402 -10.1302 -10.1302 -9.8936 -9.8936 -9.8908 -9.8908 -9.8491 -9.8491 -9.8450 -9.8450 -4.3015 -4.3015 2.8790 2.8790 3.8085 3.8085 4.3366 4.3366 5.9794 5.9794 6.9151 6.9151 7.8663 7.8663 8.1322 8.1322 k = 0.6250-0.0722 0.4082 ( 6042 PWs) bands (ev): -27.3055 -27.3055 -26.4497 -26.4497 -26.4483 -26.4483 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0483 -15.0483 -10.9873 -10.9873 -10.7342 -10.7342 -10.7229 -10.7229 -10.1402 -10.1402 -10.1302 -10.1302 -9.8936 -9.8936 -9.8908 -9.8908 -9.8491 -9.8491 -9.8450 -9.8450 -4.3015 -4.3015 2.8790 2.8790 3.8085 3.8085 4.3366 4.3366 5.9794 5.9794 6.9151 6.9151 7.8663 7.8663 8.1322 8.1322 k = 0.6154-0.0666 0.4240 ( 6038 PWs) bands (ev): -27.3055 -27.3055 -26.4497 -26.4497 -26.4483 -26.4483 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0483 -15.0483 -10.9873 -10.9873 -10.7342 -10.7342 -10.7229 -10.7229 -10.1402 -10.1402 -10.1302 -10.1302 -9.8936 -9.8936 -9.8907 -9.8907 -9.8491 -9.8491 -9.8450 -9.8450 -4.3015 -4.3015 2.8793 2.8793 3.8092 3.8092 4.3339 4.3339 5.9817 5.9817 6.9181 6.9181 7.8631 7.8631 8.1340 8.1340 k = 0.6058-0.0611 0.4397 ( 6042 PWs) bands (ev): -27.3055 -27.3055 -26.4497 -26.4497 -26.4483 -26.4483 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0483 -15.0483 -10.9873 -10.9873 -10.7342 -10.7342 -10.7229 -10.7229 -10.1402 -10.1402 -10.1302 -10.1302 -9.8937 -9.8937 -9.8907 -9.8907 -9.8491 -9.8491 -9.8450 -9.8450 -4.3014 -4.3014 2.8801 2.8801 3.8113 3.8113 4.3261 4.3261 5.9882 5.9882 6.9270 6.9270 7.8538 7.8538 8.1359 8.1359 k = 0.5962-0.0555 0.4554 ( 6055 PWs) bands (ev): -27.3055 -27.3055 -26.4497 -26.4497 -26.4484 -26.4484 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0483 -15.0483 -10.9873 -10.9873 -10.7342 -10.7342 -10.7230 -10.7230 -10.1402 -10.1402 -10.1302 -10.1302 -9.8938 -9.8938 -9.8907 -9.8907 -9.8490 -9.8490 -9.8451 -9.8451 -4.3013 -4.3013 2.8814 2.8814 3.8148 3.8148 4.3136 4.3136 5.9983 5.9983 6.9421 6.9421 7.8398 7.8398 8.1206 8.1206 k = 0.5865-0.0500 0.4711 ( 6051 PWs) bands (ev): -27.3055 -27.3055 -26.4496 -26.4496 -26.4484 -26.4484 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0483 -15.0483 -10.9873 -10.9873 -10.7341 -10.7341 -10.7231 -10.7231 -10.1402 -10.1402 -10.1302 -10.1302 -9.8939 -9.8939 -9.8906 -9.8906 -9.8489 -9.8489 -9.8451 -9.8451 -4.3012 -4.3012 2.8832 2.8832 3.8195 3.8195 4.2971 4.2971 6.0112 6.0112 6.9636 6.9636 7.8224 7.8224 8.0755 8.0755 k = 0.5769-0.0444 0.4868 ( 6057 PWs) bands (ev): -27.3055 -27.3055 -26.4496 -26.4496 -26.4484 -26.4484 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0483 -15.0483 -10.9873 -10.9873 -10.7341 -10.7341 -10.7232 -10.7232 -10.1402 -10.1402 -10.1303 -10.1303 -9.8940 -9.8940 -9.8905 -9.8905 -9.8488 -9.8488 -9.8452 -9.8452 -4.3010 -4.3010 2.8853 2.8853 3.8253 3.8253 4.2776 4.2776 6.0258 6.0258 6.9917 6.9917 7.8031 7.8031 8.0165 8.0165 k = 0.5673-0.0389 0.5025 ( 6062 PWs) bands (ev): -27.3055 -27.3055 -26.4496 -26.4496 -26.4485 -26.4485 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0484 -15.0484 -10.9874 -10.9874 -10.7340 -10.7340 -10.7233 -10.7233 -10.1402 -10.1402 -10.1303 -10.1303 -9.8942 -9.8942 -9.8904 -9.8904 -9.8487 -9.8487 -9.8453 -9.8453 -4.3008 -4.3008 2.8877 2.8877 3.8319 3.8319 4.2560 4.2560 6.0409 6.0409 7.0266 7.0266 7.7827 7.7827 7.9522 7.9522 k = 0.5577-0.0333 0.5182 ( 6060 PWs) bands (ev): -27.3055 -27.3055 -26.4495 -26.4495 -26.4485 -26.4485 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0484 -15.0484 -10.9874 -10.9874 -10.7339 -10.7339 -10.7235 -10.7235 -10.1402 -10.1402 -10.1303 -10.1303 -9.8943 -9.8943 -9.8904 -9.8904 -9.8485 -9.8485 -9.8454 -9.8454 -4.3005 -4.3005 2.8903 2.8903 3.8392 3.8392 4.2335 4.2335 6.0555 6.0555 7.0683 7.0683 7.7619 7.7619 7.8858 7.8858 k = 0.5481-0.0278 0.5339 ( 6060 PWs) bands (ev): -27.3055 -27.3055 -26.4494 -26.4494 -26.4486 -26.4486 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0484 -15.0484 -10.9874 -10.9874 -10.7339 -10.7339 -10.7236 -10.7236 -10.1402 -10.1402 -10.1302 -10.1302 -9.8945 -9.8945 -9.8903 -9.8903 -9.8483 -9.8483 -9.8455 -9.8455 -4.3003 -4.3003 2.8929 2.8929 3.8468 3.8468 4.2114 4.2114 6.0686 6.0686 7.1165 7.1165 7.7409 7.7409 7.8191 7.8191 k = 0.5385-0.0222 0.5496 ( 6058 PWs) bands (ev): -27.3055 -27.3055 -26.4494 -26.4494 -26.4487 -26.4487 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0484 -15.0484 -10.9874 -10.9874 -10.7338 -10.7338 -10.7237 -10.7237 -10.1402 -10.1402 -10.1302 -10.1302 -9.8946 -9.8946 -9.8903 -9.8903 -9.8481 -9.8481 -9.8457 -9.8457 -4.3001 -4.3001 2.8953 2.8953 3.8541 3.8541 4.1908 4.1908 6.0796 6.0796 7.1706 7.1706 7.7176 7.7176 7.7562 7.7562 k = 0.5288-0.0167 0.5653 ( 6047 PWs) bands (ev): -27.3055 -27.3055 -26.4493 -26.4493 -26.4487 -26.4487 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0484 -15.0484 -10.9874 -10.9874 -10.7337 -10.7337 -10.7238 -10.7238 -10.1402 -10.1402 -10.1302 -10.1302 -9.8947 -9.8947 -9.8902 -9.8902 -9.8478 -9.8478 -9.8458 -9.8458 -4.2999 -4.2999 2.8974 2.8974 3.8606 3.8606 4.1731 4.1731 6.0882 6.0882 7.2290 7.2290 7.6751 7.6751 7.7155 7.7155 k = 0.5192-0.0111 0.5810 ( 6041 PWs) bands (ev): -27.3055 -27.3055 -26.4492 -26.4492 -26.4488 -26.4488 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0484 -15.0484 -10.9874 -10.9874 -10.7337 -10.7337 -10.7239 -10.7239 -10.1403 -10.1403 -10.1302 -10.1302 -9.8947 -9.8947 -9.8902 -9.8902 -9.8475 -9.8475 -9.8460 -9.8460 -4.2997 -4.2997 2.8991 2.8991 3.8657 3.8657 4.1594 4.1594 6.0941 6.0941 7.2886 7.2886 7.6174 7.6174 7.6963 7.6963 k = 0.5096-0.0056 0.5967 ( 6042 PWs) bands (ev): -27.3055 -27.3055 -26.4491 -26.4491 -26.4489 -26.4489 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0484 -15.0484 -10.9874 -10.9874 -10.7336 -10.7336 -10.7239 -10.7239 -10.1403 -10.1403 -10.1302 -10.1302 -9.8948 -9.8948 -9.8902 -9.8902 -9.8473 -9.8473 -9.8463 -9.8463 -4.2996 -4.2996 2.9002 2.9002 3.8689 3.8689 4.1508 4.1508 6.0976 6.0976 7.3413 7.3413 7.5675 7.5675 7.6836 7.6836 k = 0.5000-0.0000 0.6124 ( 6032 PWs) bands (ev): -27.3055 -27.3055 -26.4490 -26.4490 -26.4490 -26.4490 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0484 -15.0484 -10.9873 -10.9873 -10.7336 -10.7336 -10.7239 -10.7239 -10.1403 -10.1403 -10.1301 -10.1301 -9.8948 -9.8948 -9.8902 -9.8902 -9.8471 -9.8471 -9.8464 -9.8464 -4.2996 -4.2996 2.9006 2.9006 3.8700 3.8700 4.1479 4.1479 6.0986 6.0986 7.3654 7.3654 7.5458 7.5458 7.6780 7.6780 k = 0.5000-0.0000 0.6124 ( 6032 PWs) bands (ev): -27.3055 -27.3055 -26.4490 -26.4490 -26.4490 -26.4490 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0484 -15.0484 -10.9873 -10.9873 -10.7336 -10.7336 -10.7239 -10.7239 -10.1403 -10.1403 -10.1301 -10.1301 -9.8948 -9.8948 -9.8902 -9.8902 -9.8471 -9.8471 -9.8464 -9.8464 -4.2996 -4.2996 2.9006 2.9006 3.8700 3.8700 4.1479 4.1479 6.0986 6.0986 7.3654 7.3654 7.5458 7.5458 7.6780 7.6780 k = 0.5000 0.0111 0.5967 ( 6040 PWs) bands (ev): -27.3055 -27.3055 -26.4490 -26.4490 -26.4490 -26.4490 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0484 -15.0484 -10.9874 -10.9874 -10.7336 -10.7336 -10.7240 -10.7240 -10.1402 -10.1402 -10.1302 -10.1302 -9.8948 -9.8948 -9.8902 -9.8902 -9.8472 -9.8472 -9.8464 -9.8464 -4.2996 -4.2996 2.9003 2.9003 3.8680 3.8680 4.1508 4.1508 6.1009 6.1009 7.3625 7.3625 7.5406 7.5406 7.6872 7.6872 k = 0.5000 0.0222 0.5810 ( 6042 PWs) bands (ev): -27.3055 -27.3055 -26.4490 -26.4490 -26.4490 -26.4490 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0484 -15.0484 -10.9873 -10.9873 -10.7335 -10.7335 -10.7240 -10.7240 -10.1402 -10.1402 -10.1302 -10.1302 -9.8946 -9.8946 -9.8901 -9.8901 -9.8474 -9.8474 -9.8464 -9.8464 -4.2998 -4.2998 2.8994 2.8994 3.8622 3.8622 4.1591 4.1591 6.1078 6.1078 7.3524 7.3524 7.5307 7.5307 7.7103 7.7103 k = 0.5000 0.0333 0.5653 ( 6044 PWs) bands (ev): -27.3055 -27.3055 -26.4490 -26.4490 -26.4490 -26.4490 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0484 -15.0484 -10.9873 -10.9873 -10.7334 -10.7334 -10.7240 -10.7240 -10.1401 -10.1401 -10.1302 -10.1302 -9.8945 -9.8945 -9.8900 -9.8900 -9.8478 -9.8478 -9.8465 -9.8465 -4.3002 -4.3002 2.8978 2.8978 3.8537 3.8537 4.1718 4.1718 6.1193 6.1193 7.3330 7.3330 7.5252 7.5252 7.7403 7.7403 k = 0.5000 0.0444 0.5496 ( 6050 PWs) bands (ev): -27.3055 -27.3055 -26.4490 -26.4490 -26.4490 -26.4490 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0484 -15.0484 -10.9873 -10.9873 -10.7332 -10.7332 -10.7241 -10.7241 -10.1400 -10.1400 -10.1302 -10.1302 -9.8942 -9.8942 -9.8898 -9.8898 -9.8482 -9.8482 -9.8467 -9.8467 -4.3007 -4.3007 2.8955 2.8955 3.8437 3.8437 4.1879 4.1879 6.1355 6.1355 7.3035 7.3035 7.5283 7.5283 7.7733 7.7733 k = 0.5000 0.0555 0.5339 ( 6054 PWs) bands (ev): -27.3055 -27.3055 -26.4490 -26.4490 -26.4490 -26.4490 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0484 -15.0484 -10.9873 -10.9873 -10.7330 -10.7330 -10.7242 -10.7242 -10.1398 -10.1398 -10.1302 -10.1302 -9.8939 -9.8939 -9.8896 -9.8896 -9.8488 -9.8488 -9.8469 -9.8469 -4.3013 -4.3013 2.8924 2.8924 3.8333 3.8333 4.2063 4.2063 6.1563 6.1563 7.2652 7.2652 7.5404 7.5404 7.8075 7.8075 k = 0.5000 0.0666 0.5182 ( 6058 PWs) bands (ev): -27.3055 -27.3055 -26.4490 -26.4490 -26.4490 -26.4490 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0484 -15.0484 -10.9873 -10.9873 -10.7328 -10.7328 -10.7243 -10.7243 -10.1396 -10.1396 -10.1301 -10.1301 -9.8935 -9.8935 -9.8893 -9.8893 -9.8494 -9.8494 -9.8471 -9.8471 -4.3020 -4.3020 2.8884 2.8884 3.8234 3.8234 4.2261 4.2261 6.1818 6.1818 7.2200 7.2200 7.5599 7.5599 7.8419 7.8419 k = 0.5000 0.0777 0.5025 ( 6054 PWs) bands (ev): -27.3055 -27.3055 -26.4490 -26.4490 -26.4490 -26.4490 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0484 -15.0484 -10.9872 -10.9872 -10.7325 -10.7325 -10.7243 -10.7243 -10.1395 -10.1395 -10.1300 -10.1300 -9.8930 -9.8930 -9.8889 -9.8889 -9.8502 -9.8502 -9.8475 -9.8475 -4.3028 -4.3028 2.8834 2.8834 3.8147 3.8147 4.2467 4.2467 6.2121 6.2121 7.1696 7.1696 7.5853 7.5853 7.8759 7.8759 k = 0.5000 0.0888 0.4868 ( 6058 PWs) bands (ev): -27.3055 -27.3055 -26.4490 -26.4490 -26.4490 -26.4490 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0484 -15.0484 -10.9872 -10.9872 -10.7321 -10.7321 -10.7245 -10.7245 -10.1393 -10.1393 -10.1299 -10.1299 -9.8925 -9.8925 -9.8885 -9.8885 -9.8510 -9.8510 -9.8479 -9.8479 -4.3037 -4.3037 2.8774 2.8774 3.8079 3.8079 4.2677 4.2677 6.2469 6.2469 7.1149 7.1149 7.6153 7.6153 7.9088 7.9088 k = 0.5000 0.0999 0.4711 ( 6058 PWs) bands (ev): -27.3055 -27.3055 -26.4490 -26.4490 -26.4490 -26.4490 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0484 -15.0484 -10.9871 -10.9871 -10.7318 -10.7318 -10.7246 -10.7246 -10.1392 -10.1392 -10.1297 -10.1297 -9.8919 -9.8919 -9.8881 -9.8881 -9.8519 -9.8519 -9.8483 -9.8483 -4.3047 -4.3047 2.8705 2.8705 3.8031 3.8031 4.2888 4.2888 6.2864 6.2864 7.0566 7.0566 7.6491 7.6491 7.9357 7.9357 k = 0.5000 0.1110 0.4554 ( 6060 PWs) bands (ev): -27.3056 -27.3056 -26.4490 -26.4490 -26.4489 -26.4489 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0484 -15.0484 -10.9871 -10.9871 -10.7314 -10.7314 -10.7247 -10.7247 -10.1392 -10.1392 -10.1295 -10.1295 -9.8913 -9.8913 -9.8876 -9.8876 -9.8529 -9.8529 -9.8488 -9.8488 -4.3058 -4.3058 2.8626 2.8626 3.8005 3.8005 4.3098 4.3098 6.3302 6.3302 6.9954 6.9954 7.6854 7.6854 7.9119 7.9119 k = 0.5000 0.1221 0.4397 ( 6066 PWs) bands (ev): -27.3056 -27.3056 -26.4490 -26.4490 -26.4489 -26.4489 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0484 -15.0484 -10.9871 -10.9871 -10.7310 -10.7310 -10.7248 -10.7248 -10.1392 -10.1392 -10.1292 -10.1292 -9.8906 -9.8906 -9.8871 -9.8871 -9.8539 -9.8539 -9.8494 -9.8494 -4.3069 -4.3069 2.8538 2.8538 3.8001 3.8001 4.3307 4.3307 6.3782 6.3782 6.9319 6.9319 7.7221 7.7221 7.8668 7.8668 k = 0.5000 0.1332 0.4240 ( 6082 PWs) bands (ev): -27.3056 -27.3056 -26.4491 -26.4491 -26.4489 -26.4489 -18.0330 -18.0330 -18.0329 -18.0329 -15.0527 -15.0527 -15.0485 -15.0485 -15.0484 -15.0484 -10.9870 -10.9870 -10.7307 -10.7307 -10.7249 -10.7249 -10.1393 -10.1393 -10.1288 -10.1288 -9.8899 -9.8899 -9.8865 -9.8865 -9.8551 -9.8551 -9.8500 -9.8500 -4.3080 -4.3080 2.8443 2.8443 3.8017 3.8017 4.3516 4.3516 6.4299 6.4299 6.8669 6.8669 7.7524 7.7524 7.8312 7.8312 k = 0.5000 0.1443 0.4082 ( 6066 PWs) bands (ev): -27.3056 -27.3056 -26.4490 -26.4490 -26.4489 -26.4489 -18.0330 -18.0330 -18.0329 -18.0329 -15.0527 -15.0527 -15.0485 -15.0485 -15.0484 -15.0484 -10.9870 -10.9870 -10.7302 -10.7302 -10.7250 -10.7250 -10.1394 -10.1394 -10.1284 -10.1284 -9.8890 -9.8890 -9.8858 -9.8858 -9.8562 -9.8562 -9.8506 -9.8506 -4.3092 -4.3092 2.8342 2.8342 3.8053 3.8053 4.3725 4.3725 6.4844 6.4844 6.8018 6.8018 7.7493 7.7493 7.8325 7.8325 k = 0.5000 0.1554 0.3925 ( 6074 PWs) bands (ev): -27.3056 -27.3056 -26.4491 -26.4491 -26.4489 -26.4489 -18.0330 -18.0330 -18.0329 -18.0329 -15.0527 -15.0527 -15.0485 -15.0485 -15.0484 -15.0484 -10.9869 -10.9869 -10.7299 -10.7299 -10.7251 -10.7251 -10.1395 -10.1395 -10.1279 -10.1279 -9.8882 -9.8882 -9.8851 -9.8851 -9.8575 -9.8575 -9.8513 -9.8513 -4.3103 -4.3103 2.8237 2.8237 3.8103 3.8103 4.3935 4.3935 6.5386 6.5386 6.7401 6.7401 7.7184 7.7184 7.8640 7.8640 k = 0.5000 0.1665 0.3768 ( 6068 PWs) bands (ev): -27.3056 -27.3056 -26.4491 -26.4491 -26.4489 -26.4489 -18.0330 -18.0330 -18.0329 -18.0329 -15.0527 -15.0527 -15.0485 -15.0485 -15.0484 -15.0484 -10.9869 -10.9869 -10.7295 -10.7295 -10.7252 -10.7252 -10.1397 -10.1397 -10.1274 -10.1274 -9.8873 -9.8873 -9.8844 -9.8844 -9.8587 -9.8587 -9.8520 -9.8520 -4.3114 -4.3114 2.8130 2.8130 3.8165 3.8165 4.4147 4.4147 6.5779 6.5779 6.6970 6.6970 7.6847 7.6847 7.8993 7.8993 k = 0.5000 0.1776 0.3611 ( 6076 PWs) bands (ev): -27.3056 -27.3056 -26.4491 -26.4491 -26.4489 -26.4489 -18.0331 -18.0331 -18.0329 -18.0329 -15.0527 -15.0527 -15.0485 -15.0485 -15.0484 -15.0484 -10.9868 -10.9868 -10.7291 -10.7291 -10.7253 -10.7253 -10.1399 -10.1399 -10.1269 -10.1269 -9.8863 -9.8863 -9.8837 -9.8837 -9.8601 -9.8601 -9.8528 -9.8528 -4.3125 -4.3125 2.8024 2.8024 3.8235 3.8235 4.4360 4.4360 6.5597 6.5597 6.7156 6.7156 7.6529 7.6529 7.9310 7.9310 k = 0.5000 0.1887 0.3454 ( 6076 PWs) bands (ev): -27.3056 -27.3056 -26.4491 -26.4491 -26.4489 -26.4489 -18.0331 -18.0331 -18.0329 -18.0329 -15.0527 -15.0527 -15.0485 -15.0485 -15.0484 -15.0484 -10.9868 -10.9868 -10.7288 -10.7288 -10.7253 -10.7253 -10.1402 -10.1402 -10.1263 -10.1263 -9.8853 -9.8853 -9.8829 -9.8829 -9.8614 -9.8614 -9.8535 -9.8535 -4.3136 -4.3136 2.7921 2.7921 3.8309 3.8309 4.4575 4.4575 6.5058 6.5058 6.7749 6.7749 7.6241 7.6241 7.9547 7.9547 k = 0.5000 0.1999 0.3297 ( 6074 PWs) bands (ev): -27.3057 -27.3057 -26.4491 -26.4491 -26.4489 -26.4489 -18.0331 -18.0331 -18.0329 -18.0329 -15.0527 -15.0527 -15.0485 -15.0485 -15.0484 -15.0484 -10.9867 -10.9867 -10.7286 -10.7286 -10.7253 -10.7253 -10.1404 -10.1404 -10.1258 -10.1258 -9.8843 -9.8843 -9.8822 -9.8822 -9.8627 -9.8627 -9.8543 -9.8543 -4.3146 -4.3146 2.7822 2.7822 3.8384 3.8384 4.4788 4.4788 6.4467 6.4467 6.8449 6.8449 7.5984 7.5984 7.9652 7.9652 k = 0.5000 0.2110 0.3140 ( 6074 PWs) bands (ev): -27.3057 -27.3057 -26.4491 -26.4491 -26.4488 -26.4488 -18.0331 -18.0331 -18.0329 -18.0329 -15.0527 -15.0527 -15.0485 -15.0485 -15.0484 -15.0484 -10.9867 -10.9867 -10.7283 -10.7283 -10.7253 -10.7253 -10.1406 -10.1406 -10.1254 -10.1254 -9.8833 -9.8833 -9.8814 -9.8814 -9.8641 -9.8641 -9.8550 -9.8550 -4.3155 -4.3155 2.7731 2.7731 3.8456 3.8456 4.4998 4.4998 6.3891 6.3891 6.9197 6.9197 7.5759 7.5759 7.9568 7.9568 k = 0.5000 0.2221 0.2983 ( 6070 PWs) bands (ev): -27.3057 -27.3057 -26.4491 -26.4491 -26.4488 -26.4488 -18.0331 -18.0331 -18.0329 -18.0329 -15.0527 -15.0527 -15.0485 -15.0485 -15.0484 -15.0484 -10.9867 -10.9867 -10.7281 -10.7281 -10.7253 -10.7253 -10.1408 -10.1408 -10.1249 -10.1249 -9.8822 -9.8822 -9.8806 -9.8806 -9.8655 -9.8655 -9.8557 -9.8557 -4.3163 -4.3163 2.7648 2.7648 3.8522 3.8522 4.5199 4.5199 6.3354 6.3354 6.9976 6.9976 7.5566 7.5566 7.9260 7.9260 k = 0.5000 0.2332 0.2826 ( 6076 PWs) bands (ev): -27.3057 -27.3057 -26.4491 -26.4491 -26.4488 -26.4488 -18.0331 -18.0331 -18.0329 -18.0329 -15.0527 -15.0527 -15.0485 -15.0485 -15.0484 -15.0484 -10.9866 -10.9866 -10.7280 -10.7280 -10.7252 -10.7252 -10.1410 -10.1410 -10.1246 -10.1246 -9.8812 -9.8812 -9.8799 -9.8799 -9.8668 -9.8668 -9.8564 -9.8564 -4.3170 -4.3170 2.7575 2.7575 3.8582 3.8582 4.5387 4.5387 6.2872 6.2872 7.0778 7.0778 7.5404 7.5404 7.8753 7.8753 k = 0.5000 0.2443 0.2669 ( 6080 PWs) bands (ev): -27.3057 -27.3057 -26.4491 -26.4491 -26.4488 -26.4488 -18.0331 -18.0331 -18.0329 -18.0329 -15.0528 -15.0528 -15.0485 -15.0485 -15.0484 -15.0484 -10.9866 -10.9866 -10.7279 -10.7279 -10.7252 -10.7252 -10.1412 -10.1412 -10.1242 -10.1242 -9.8801 -9.8801 -9.8793 -9.8793 -9.8681 -9.8681 -9.8570 -9.8570 -4.3176 -4.3176 2.7513 2.7513 3.8632 3.8632 4.5555 4.5555 6.2457 6.2457 7.1596 7.1596 7.5272 7.5272 7.8109 7.8109 k = 0.5000 0.2554 0.2512 ( 6088 PWs) bands (ev): -27.3057 -27.3057 -26.4491 -26.4491 -26.4488 -26.4488 -18.0331 -18.0331 -18.0329 -18.0329 -15.0528 -15.0528 -15.0485 -15.0485 -15.0484 -15.0484 -10.9866 -10.9866 -10.7279 -10.7279 -10.7251 -10.7251 -10.1413 -10.1413 -10.1240 -10.1240 -9.8792 -9.8792 -9.8786 -9.8786 -9.8694 -9.8694 -9.8575 -9.8575 -4.3181 -4.3181 2.7464 2.7464 3.8672 3.8672 4.5695 4.5695 6.2121 6.2121 7.2428 7.2428 7.5170 7.5170 7.7379 7.7379 k = 0.5000 0.2665 0.2355 ( 6084 PWs) bands (ev): -27.3057 -27.3057 -26.4491 -26.4491 -26.4488 -26.4488 -18.0331 -18.0331 -18.0329 -18.0329 -15.0528 -15.0528 -15.0485 -15.0485 -15.0484 -15.0484 -10.9866 -10.9866 -10.7278 -10.7278 -10.7251 -10.7251 -10.1414 -10.1414 -10.1238 -10.1238 -9.8786 -9.8786 -9.8778 -9.8778 -9.8705 -9.8705 -9.8579 -9.8579 -4.3184 -4.3184 2.7429 2.7429 3.8701 3.8701 4.5801 4.5801 6.1873 6.1873 7.3267 7.3267 7.5097 7.5097 7.6599 7.6599 k = 0.5000 0.2776 0.2198 ( 6084 PWs) bands (ev): -27.3057 -27.3057 -26.4491 -26.4491 -26.4488 -26.4488 -18.0331 -18.0331 -18.0329 -18.0329 -15.0528 -15.0528 -15.0485 -15.0485 -15.0484 -15.0484 -10.9866 -10.9866 -10.7278 -10.7278 -10.7250 -10.7250 -10.1415 -10.1415 -10.1237 -10.1237 -9.8783 -9.8783 -9.8771 -9.8771 -9.8714 -9.8714 -9.8581 -9.8581 -4.3186 -4.3186 2.7407 2.7407 3.8719 3.8719 4.5867 4.5867 6.1721 6.1721 7.4108 7.4108 7.5054 7.5054 7.5789 7.5789 k = 0.5000 0.2887 0.2041 ( 6062 PWs) bands (ev): -27.3057 -27.3057 -26.4491 -26.4491 -26.4488 -26.4488 -18.0331 -18.0331 -18.0329 -18.0329 -15.0528 -15.0528 -15.0485 -15.0485 -15.0484 -15.0484 -10.9866 -10.9866 -10.7278 -10.7278 -10.7250 -10.7250 -10.1415 -10.1415 -10.1236 -10.1236 -9.8782 -9.8782 -9.8768 -9.8768 -9.8717 -9.8717 -9.8582 -9.8582 -4.3187 -4.3187 2.7400 2.7400 3.8725 3.8725 4.5889 4.5889 6.1670 6.1670 7.4866 7.4866 7.5017 7.5017 7.5062 7.5062 k = 0.5000 0.2887 0.2041 ( 6062 PWs) bands (ev): -27.3057 -27.3057 -26.4491 -26.4491 -26.4488 -26.4488 -18.0331 -18.0331 -18.0329 -18.0329 -15.0528 -15.0528 -15.0485 -15.0485 -15.0484 -15.0484 -10.9866 -10.9866 -10.7278 -10.7278 -10.7250 -10.7250 -10.1415 -10.1415 -10.1236 -10.1236 -9.8782 -9.8782 -9.8768 -9.8768 -9.8717 -9.8717 -9.8582 -9.8582 -4.3187 -4.3187 2.7400 2.7400 3.8725 3.8725 4.5889 4.5889 6.1670 6.1670 7.4866 7.4866 7.5017 7.5017 7.5062 7.5062 k = 0.4943 0.2854 0.2227 ( 6087 PWs) bands (ev): -27.3057 -27.3057 -26.4491 -26.4491 -26.4488 -26.4488 -18.0331 -18.0331 -18.0329 -18.0329 -15.0528 -15.0528 -15.0485 -15.0485 -15.0484 -15.0484 -10.9866 -10.9866 -10.7278 -10.7278 -10.7250 -10.7250 -10.1415 -10.1415 -10.1237 -10.1237 -9.8783 -9.8783 -9.8771 -9.8771 -9.8713 -9.8713 -9.8581 -9.8581 -4.3186 -4.3186 2.7407 2.7407 3.8719 3.8719 4.5866 4.5866 6.1723 6.1723 7.4088 7.4088 7.5055 7.5055 7.5808 7.5808 k = 0.4886 0.2821 0.2412 ( 6087 PWs) bands (ev): -27.3057 -27.3057 -26.4491 -26.4491 -26.4488 -26.4488 -18.0331 -18.0331 -18.0329 -18.0329 -15.0528 -15.0528 -15.0485 -15.0485 -15.0484 -15.0484 -10.9866 -10.9866 -10.7278 -10.7278 -10.7251 -10.7251 -10.1414 -10.1414 -10.1238 -10.1238 -9.8786 -9.8786 -9.8779 -9.8779 -9.8705 -9.8705 -9.8579 -9.8579 -4.3184 -4.3184 2.7430 2.7430 3.8700 3.8700 4.5796 4.5796 6.1883 6.1883 7.3228 7.3228 7.5100 7.5100 7.6636 7.6636 k = 0.4830 0.2788 0.2598 ( 6087 PWs) bands (ev): -27.3057 -27.3057 -26.4491 -26.4491 -26.4488 -26.4488 -18.0331 -18.0331 -18.0329 -18.0329 -15.0528 -15.0528 -15.0485 -15.0485 -15.0484 -15.0484 -10.9866 -10.9866 -10.7279 -10.7279 -10.7251 -10.7251 -10.1413 -10.1413 -10.1240 -10.1240 -9.8792 -9.8792 -9.8787 -9.8787 -9.8693 -9.8693 -9.8575 -9.8575 -4.3180 -4.3180 2.7467 2.7467 3.8670 3.8670 4.5686 4.5686 6.2142 6.2142 7.2370 7.2370 7.5175 7.5175 7.7433 7.7433 k = 0.4773 0.2756 0.2784 ( 6087 PWs) bands (ev): -27.3057 -27.3057 -26.4491 -26.4491 -26.4488 -26.4488 -18.0331 -18.0331 -18.0329 -18.0329 -15.0528 -15.0528 -15.0485 -15.0485 -15.0484 -15.0484 -10.9866 -10.9866 -10.7279 -10.7279 -10.7252 -10.7252 -10.1412 -10.1412 -10.1243 -10.1243 -9.8802 -9.8802 -9.8794 -9.8794 -9.8680 -9.8680 -9.8570 -9.8570 -4.3175 -4.3175 2.7518 2.7518 3.8628 3.8628 4.5540 4.5540 6.2492 6.2492 7.1521 7.1521 7.5281 7.5281 7.8173 7.8173 k = 0.4716 0.2723 0.2969 ( 6077 PWs) bands (ev): -27.3057 -27.3057 -26.4491 -26.4491 -26.4488 -26.4488 -18.0331 -18.0331 -18.0329 -18.0329 -15.0527 -15.0527 -15.0485 -15.0485 -15.0484 -15.0484 -10.9866 -10.9866 -10.7280 -10.7280 -10.7252 -10.7252 -10.1410 -10.1410 -10.1246 -10.1246 -9.8813 -9.8813 -9.8800 -9.8800 -9.8667 -9.8667 -9.8563 -9.8563 -4.3169 -4.3169 2.7583 2.7583 3.8575 3.8575 4.5367 4.5367 6.2922 6.2922 7.0688 7.0688 7.5416 7.5416 7.8818 7.8818 k = 0.4659 0.2690 0.3155 ( 6071 PWs) bands (ev): -27.3057 -27.3057 -26.4491 -26.4491 -26.4488 -26.4488 -18.0331 -18.0331 -18.0329 -18.0329 -15.0527 -15.0527 -15.0485 -15.0485 -15.0484 -15.0484 -10.9867 -10.9867 -10.7282 -10.7282 -10.7253 -10.7253 -10.1408 -10.1408 -10.1250 -10.1250 -9.8824 -9.8824 -9.8807 -9.8807 -9.8653 -9.8653 -9.8556 -9.8556 -4.3162 -4.3162 2.7659 2.7659 3.8512 3.8512 4.5175 4.5175 6.3416 6.3416 6.9880 6.9880 7.5581 7.5581 7.9301 7.9301 k = 0.4602 0.2657 0.3340 ( 6075 PWs) bands (ev): -27.3057 -27.3057 -26.4491 -26.4491 -26.4488 -26.4488 -18.0331 -18.0331 -18.0329 -18.0329 -15.0527 -15.0527 -15.0485 -15.0485 -15.0484 -15.0484 -10.9867 -10.9867 -10.7284 -10.7284 -10.7253 -10.7253 -10.1406 -10.1406 -10.1254 -10.1254 -9.8835 -9.8835 -9.8815 -9.8815 -9.8639 -9.8639 -9.8549 -9.8549 -4.3153 -4.3153 2.7745 2.7745 3.8441 3.8441 4.4971 4.4971 6.3952 6.3952 6.9110 6.9110 7.5776 7.5776 7.9547 7.9547 k = 0.4545 0.2624 0.3526 ( 6075 PWs) bands (ev): -27.3057 -27.3057 -26.4491 -26.4491 -26.4488 -26.4488 -18.0331 -18.0331 -18.0329 -18.0329 -15.0527 -15.0527 -15.0485 -15.0485 -15.0484 -15.0484 -10.9867 -10.9867 -10.7286 -10.7286 -10.7253 -10.7253 -10.1404 -10.1404 -10.1259 -10.1259 -9.8845 -9.8845 -9.8823 -9.8823 -9.8625 -9.8625 -9.8541 -9.8541 -4.3144 -4.3144 2.7840 2.7840 3.8364 3.8364 4.4764 4.4764 6.4494 6.4494 6.8404 6.8404 7.5999 7.5999 7.9535 7.9535 k = 0.4489 0.2592 0.3711 ( 6078 PWs) bands (ev): -27.3056 -27.3056 -26.4491 -26.4491 -26.4489 -26.4489 -18.0331 -18.0331 -18.0329 -18.0329 -15.0527 -15.0527 -15.0485 -15.0485 -15.0484 -15.0484 -10.9868 -10.9868 -10.7289 -10.7289 -10.7253 -10.7253 -10.1401 -10.1401 -10.1265 -10.1265 -9.8855 -9.8855 -9.8831 -9.8831 -9.8611 -9.8611 -9.8534 -9.8534 -4.3134 -4.3134 2.7942 2.7942 3.8283 3.8283 4.4558 4.4558 6.4968 6.4968 6.7829 6.7829 7.6250 7.6250 7.9325 7.9325 k = 0.4432 0.2559 0.3897 ( 6071 PWs) bands (ev): -27.3056 -27.3056 -26.4491 -26.4491 -26.4488 -26.4488 -18.0331 -18.0331 -18.0329 -18.0329 -15.0527 -15.0527 -15.0485 -15.0485 -15.0484 -15.0484 -10.9868 -10.9868 -10.7293 -10.7293 -10.7252 -10.7252 -10.1399 -10.1399 -10.1270 -10.1270 -9.8865 -9.8865 -9.8839 -9.8839 -9.8597 -9.8597 -9.8526 -9.8526 -4.3123 -4.3123 2.8047 2.8047 3.8200 3.8200 4.4360 4.4360 6.5202 6.5202 6.7541 6.7541 7.6528 7.6528 7.8996 7.8996 k = 0.4375 0.2526 0.4082 ( 6074 PWs) bands (ev): -27.3056 -27.3056 -26.4491 -26.4491 -26.4488 -26.4488 -18.0330 -18.0330 -18.0329 -18.0329 -15.0527 -15.0527 -15.0485 -15.0485 -15.0484 -15.0484 -10.9869 -10.9869 -10.7297 -10.7297 -10.7251 -10.7251 -10.1397 -10.1397 -10.1275 -10.1275 -9.8874 -9.8874 -9.8847 -9.8847 -9.8584 -9.8584 -9.8518 -9.8518 -4.3112 -4.3112 2.8155 2.8155 3.8118 3.8118 4.4174 4.4174 6.5029 6.5029 6.7697 6.7697 7.6831 7.6831 7.8612 7.8612 k = 0.4318 0.2493 0.4268 ( 6070 PWs) bands (ev): -27.3056 -27.3056 -26.4491 -26.4491 -26.4488 -26.4488 -18.0330 -18.0330 -18.0329 -18.0329 -15.0527 -15.0527 -15.0485 -15.0485 -15.0484 -15.0484 -10.9869 -10.9869 -10.7301 -10.7301 -10.7250 -10.7250 -10.1395 -10.1395 -10.1280 -10.1280 -9.8883 -9.8883 -9.8854 -9.8854 -9.8571 -9.8571 -9.8511 -9.8511 -4.3100 -4.3100 2.8262 2.8262 3.8041 3.8041 4.4002 4.4002 6.4572 6.4572 6.8155 6.8155 7.7150 7.7150 7.8226 7.8226 k = 0.4261 0.2460 0.4454 ( 6068 PWs) bands (ev): -27.3056 -27.3056 -26.4492 -26.4492 -26.4488 -26.4488 -18.0330 -18.0330 -18.0329 -18.0329 -15.0527 -15.0527 -15.0485 -15.0485 -15.0484 -15.0484 -10.9870 -10.9870 -10.7305 -10.7305 -10.7248 -10.7248 -10.1394 -10.1394 -10.1284 -10.1284 -9.8891 -9.8891 -9.8862 -9.8862 -9.8559 -9.8559 -9.8504 -9.8504 -4.3089 -4.3089 2.8365 2.8365 3.7973 3.7973 4.3847 4.3847 6.4012 6.4012 6.8709 6.8709 7.7439 7.7439 7.7924 7.7924 k = 0.4205 0.2427 0.4639 ( 6059 PWs) bands (ev): -27.3056 -27.3056 -26.4492 -26.4492 -26.4488 -26.4488 -18.0330 -18.0330 -18.0329 -18.0329 -15.0527 -15.0527 -15.0485 -15.0485 -15.0484 -15.0484 -10.9870 -10.9870 -10.7310 -10.7310 -10.7247 -10.7247 -10.1393 -10.1393 -10.1288 -10.1288 -9.8899 -9.8899 -9.8869 -9.8869 -9.8547 -9.8547 -9.8497 -9.8497 -4.3077 -4.3077 2.8461 2.8461 3.7916 3.7916 4.3711 4.3711 6.3430 6.3430 6.9250 6.9250 7.7418 7.7418 7.8022 7.8022 k = 0.4148 0.2395 0.4825 ( 6054 PWs) bands (ev): -27.3056 -27.3056 -26.4492 -26.4492 -26.4487 -26.4487 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0484 -15.0484 -10.9871 -10.9871 -10.7314 -10.7314 -10.7245 -10.7245 -10.1393 -10.1393 -10.1292 -10.1292 -9.8906 -9.8906 -9.8875 -9.8875 -9.8535 -9.8535 -9.8491 -9.8491 -4.3066 -4.3066 2.8549 2.8549 3.7873 3.7873 4.3594 4.3594 6.2857 6.2857 6.9710 6.9710 7.7256 7.7256 7.8388 7.8388 k = 0.4091 0.2362 0.5010 ( 6059 PWs) bands (ev): -27.3055 -27.3055 -26.4493 -26.4493 -26.4487 -26.4487 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0484 -15.0484 -10.9871 -10.9871 -10.7319 -10.7319 -10.7243 -10.7243 -10.1394 -10.1394 -10.1295 -10.1295 -9.8912 -9.8912 -9.8881 -9.8881 -9.8525 -9.8525 -9.8485 -9.8485 -4.3055 -4.3055 2.8626 2.8626 3.7848 3.7848 4.3497 4.3497 6.2309 6.2309 7.0037 7.0037 7.7201 7.7201 7.8804 7.8804 k = 0.4034 0.2329 0.5196 ( 6052 PWs) bands (ev): -27.3055 -27.3055 -26.4493 -26.4493 -26.4486 -26.4486 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0484 -15.0484 -10.9872 -10.9872 -10.7323 -10.7323 -10.7240 -10.7240 -10.1395 -10.1395 -10.1297 -10.1297 -9.8918 -9.8918 -9.8887 -9.8887 -9.8515 -9.8515 -9.8480 -9.8480 -4.3046 -4.3046 2.8689 2.8689 3.7842 3.7842 4.3421 4.3421 6.1791 6.1791 7.0202 7.0202 7.7293 7.7293 7.9242 7.9242 k = 0.3977 0.2296 0.5381 ( 6042 PWs) bands (ev): -27.3055 -27.3055 -26.4494 -26.4494 -26.4486 -26.4486 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0484 -15.0484 -10.9872 -10.9872 -10.7328 -10.7328 -10.7238 -10.7238 -10.1396 -10.1396 -10.1298 -10.1298 -9.8922 -9.8922 -9.8892 -9.8892 -9.8507 -9.8507 -9.8474 -9.8474 -4.3037 -4.3037 2.8739 2.8739 3.7855 3.7855 4.3366 4.3366 6.1309 6.1309 7.0202 7.0202 7.7520 7.7520 7.9692 7.9692 k = 0.3920 0.2263 0.5567 ( 6038 PWs) bands (ev): -27.3055 -27.3055 -26.4495 -26.4495 -26.4485 -26.4485 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0484 -15.0484 -10.9872 -10.9872 -10.7332 -10.7332 -10.7236 -10.7236 -10.1398 -10.1398 -10.1299 -10.1299 -9.8927 -9.8927 -9.8897 -9.8897 -9.8500 -9.8500 -9.8469 -9.8469 -4.3029 -4.3029 2.8773 2.8773 3.7887 3.7887 4.3332 4.3332 6.0866 6.0866 7.0061 7.0061 7.7835 7.7835 8.0143 8.0143 k = 0.3864 0.2231 0.5753 ( 6034 PWs) bands (ev): -27.3055 -27.3055 -26.4495 -26.4495 -26.4485 -26.4485 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0484 -15.0484 -10.9873 -10.9873 -10.7336 -10.7336 -10.7233 -10.7233 -10.1400 -10.1400 -10.1300 -10.1300 -9.8930 -9.8930 -9.8901 -9.8901 -9.8495 -9.8495 -9.8463 -9.8463 -4.3023 -4.3023 2.8792 2.8792 3.7938 3.7938 4.3321 4.3321 6.0465 6.0465 6.9816 6.9816 7.8172 7.8172 8.0581 8.0581 k = 0.3807 0.2198 0.5938 ( 6038 PWs) bands (ev): -27.3055 -27.3055 -26.4496 -26.4496 -26.4484 -26.4484 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0483 -15.0483 -10.9873 -10.9873 -10.7339 -10.7339 -10.7231 -10.7231 -10.1401 -10.1401 -10.1301 -10.1301 -9.8933 -9.8933 -9.8905 -9.8905 -9.8492 -9.8492 -9.8457 -9.8457 -4.3018 -4.3018 2.8797 2.8797 3.8005 3.8005 4.3332 4.3332 6.0107 6.0107 6.9503 6.9503 7.8465 7.8465 8.0986 8.0986 k = 0.3750 0.2165 0.6124 ( 6042 PWs) bands (ev): -27.3055 -27.3055 -26.4497 -26.4497 -26.4483 -26.4483 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0483 -15.0483 -10.9873 -10.9873 -10.7342 -10.7342 -10.7229 -10.7229 -10.1402 -10.1402 -10.1302 -10.1302 -9.8936 -9.8936 -9.8908 -9.8908 -9.8491 -9.8491 -9.8450 -9.8450 -4.3015 -4.3015 2.8790 2.8790 3.8085 3.8085 4.3366 4.3366 5.9794 5.9794 6.9151 6.9151 7.8663 7.8663 8.1322 8.1322 k = 0.6250-0.0722 0.4082 ( 6042 PWs) bands (ev): -27.3055 -27.3055 -26.4497 -26.4497 -26.4483 -26.4483 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0483 -15.0483 -10.9873 -10.9873 -10.7342 -10.7342 -10.7229 -10.7229 -10.1402 -10.1402 -10.1302 -10.1302 -9.8936 -9.8936 -9.8908 -9.8908 -9.8491 -9.8491 -9.8450 -9.8450 -4.3015 -4.3015 2.8790 2.8790 3.8085 3.8085 4.3366 4.3366 5.9794 5.9794 6.9151 6.9151 7.8663 7.8663 8.1322 8.1322 k = 0.6154-0.0888 0.4082 ( 6050 PWs) bands (ev): -27.3055 -27.3055 -26.4498 -26.4498 -26.4482 -26.4482 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0483 -15.0483 -10.9873 -10.9873 -10.7347 -10.7347 -10.7225 -10.7225 -10.1404 -10.1404 -10.1304 -10.1304 -9.8940 -9.8940 -9.8911 -9.8911 -9.8491 -9.8491 -9.8439 -9.8439 -4.3012 -4.3012 2.8762 2.8762 3.8238 3.8238 4.3456 4.3456 5.9313 5.9313 6.8506 6.8506 7.8925 7.8925 8.1814 8.1814 k = 0.6058-0.1055 0.4082 ( 6058 PWs) bands (ev): -27.3055 -27.3055 -26.4500 -26.4500 -26.4481 -26.4481 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0483 -15.0483 -10.9874 -10.9874 -10.7352 -10.7352 -10.7221 -10.7221 -10.1406 -10.1406 -10.1306 -10.1306 -9.8944 -9.8944 -9.8914 -9.8914 -9.8491 -9.8491 -9.8429 -9.8429 -4.3011 -4.3011 2.8726 2.8726 3.8401 3.8401 4.3575 4.3575 5.8851 5.8851 6.7822 6.7822 7.9220 7.9220 8.2315 8.2315 k = 0.5962-0.1221 0.4082 ( 6062 PWs) bands (ev): -27.3055 -27.3055 -26.4501 -26.4501 -26.4480 -26.4480 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0483 -15.0483 -10.9874 -10.9874 -10.7357 -10.7357 -10.7217 -10.7217 -10.1407 -10.1407 -10.1308 -10.1308 -9.8947 -9.8947 -9.8917 -9.8917 -9.8491 -9.8491 -9.8419 -9.8419 -4.3010 -4.3010 2.8685 2.8685 3.8569 3.8569 4.3723 4.3723 5.8406 5.8406 6.7127 6.7127 7.9528 7.9528 8.2825 8.2825 k = 0.5865-0.1388 0.4082 ( 6074 PWs) bands (ev): -27.3055 -27.3055 -26.4502 -26.4502 -26.4479 -26.4479 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0483 -15.0483 -10.9874 -10.9874 -10.7361 -10.7361 -10.7213 -10.7213 -10.1409 -10.1409 -10.1310 -10.1310 -9.8950 -9.8950 -9.8920 -9.8920 -9.8491 -9.8491 -9.8411 -9.8411 -4.3010 -4.3010 2.8639 2.8639 3.8734 3.8734 4.3900 4.3900 5.7980 5.7980 6.6442 6.6442 7.9833 7.9833 8.3340 8.3340 k = 0.5769-0.1554 0.4082 ( 6062 PWs) bands (ev): -27.3055 -27.3055 -26.4503 -26.4503 -26.4478 -26.4478 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0483 -15.0483 -10.9874 -10.9874 -10.7364 -10.7364 -10.7210 -10.7210 -10.1410 -10.1410 -10.1311 -10.1311 -9.8953 -9.8953 -9.8922 -9.8922 -9.8490 -9.8490 -9.8403 -9.8403 -4.3010 -4.3010 2.8591 2.8591 3.8891 3.8891 4.4102 4.4102 5.7574 5.7574 6.5786 6.5786 8.0124 8.0124 8.3860 8.3860 k = 0.5673-0.1721 0.4082 ( 6062 PWs) bands (ev): -27.3055 -27.3055 -26.4504 -26.4504 -26.4477 -26.4477 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0483 -15.0483 -10.9875 -10.9875 -10.7368 -10.7368 -10.7207 -10.7207 -10.1411 -10.1411 -10.1313 -10.1313 -9.8955 -9.8955 -9.8925 -9.8925 -9.8490 -9.8490 -9.8396 -9.8396 -4.3011 -4.3011 2.8543 2.8543 3.9035 3.9035 4.4325 4.4325 5.7187 5.7187 6.5174 6.5174 8.0392 8.0392 8.4377 8.4377 k = 0.5577-0.1887 0.4082 ( 6050 PWs) bands (ev): -27.3055 -27.3055 -26.4504 -26.4504 -26.4476 -26.4476 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0483 -15.0483 -10.9875 -10.9875 -10.7371 -10.7371 -10.7204 -10.7204 -10.1412 -10.1412 -10.1314 -10.1314 -9.8956 -9.8956 -9.8927 -9.8927 -9.8489 -9.8489 -9.8390 -9.8390 -4.3011 -4.3011 2.8497 2.8497 3.9163 3.9163 4.4560 4.4560 5.6825 5.6825 6.4619 6.4619 8.0630 8.0630 8.4887 8.4887 k = 0.5481-0.2054 0.4082 ( 6052 PWs) bands (ev): -27.3055 -27.3055 -26.4505 -26.4505 -26.4475 -26.4475 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0483 -15.0483 -10.9875 -10.9875 -10.7373 -10.7373 -10.7201 -10.7201 -10.1413 -10.1413 -10.1315 -10.1315 -9.8957 -9.8957 -9.8929 -9.8929 -9.8489 -9.8489 -9.8384 -9.8384 -4.3012 -4.3012 2.8456 2.8456 3.9272 3.9272 4.4798 4.4798 5.6492 5.6492 6.4133 6.4133 8.0834 8.0834 8.5236 8.5279 k = 0.5385-0.2221 0.4082 ( 6044 PWs) bands (ev): -27.3055 -27.3055 -26.4506 -26.4506 -26.4475 -26.4475 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0483 -15.0483 -10.9875 -10.9875 -10.7375 -10.7375 -10.7199 -10.7199 -10.1413 -10.1413 -10.1316 -10.1316 -9.8958 -9.8958 -9.8931 -9.8931 -9.8488 -9.8488 -9.8380 -9.8380 -4.3013 -4.3013 2.8419 2.8419 3.9362 3.9362 4.5023 4.5023 5.6196 5.6196 6.3724 6.3724 8.1002 8.1002 8.5532 8.5532 k = 0.5288-0.2387 0.4082 ( 6044 PWs) bands (ev): -27.3055 -27.3055 -26.4506 -26.4506 -26.4474 -26.4474 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0483 -15.0483 -10.9875 -10.9875 -10.7377 -10.7377 -10.7197 -10.7197 -10.1414 -10.1414 -10.1317 -10.1317 -9.8958 -9.8958 -9.8933 -9.8933 -9.8488 -9.8488 -9.8377 -9.8377 -4.3014 -4.3014 2.8390 2.8390 3.9431 3.9431 4.5223 4.5223 5.5948 5.5948 6.3399 6.3399 8.1133 8.1133 8.5811 8.5811 k = 0.5192-0.2554 0.4082 ( 6054 PWs) bands (ev): -27.3055 -27.3055 -26.4506 -26.4506 -26.4474 -26.4474 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0483 -15.0483 -10.9875 -10.9875 -10.7378 -10.7378 -10.7196 -10.7196 -10.1415 -10.1415 -10.1318 -10.1318 -9.8959 -9.8959 -9.8934 -9.8934 -9.8488 -9.8488 -9.8375 -9.8375 -4.3015 -4.3015 2.8368 2.8368 3.9480 3.9480 4.5379 4.5379 5.5758 5.5758 6.3164 6.3164 8.1227 8.1227 8.6044 8.6044 k = 0.5096-0.2720 0.4082 ( 6066 PWs) bands (ev): -27.3055 -27.3055 -26.4507 -26.4507 -26.4474 -26.4474 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0483 -15.0483 -10.9875 -10.9875 -10.7379 -10.7379 -10.7195 -10.7195 -10.1415 -10.1415 -10.1318 -10.1318 -9.8959 -9.8959 -9.8935 -9.8935 -9.8488 -9.8488 -9.8374 -9.8374 -4.3015 -4.3015 2.8355 2.8355 3.9509 3.9509 4.5480 4.5480 5.5640 5.5640 6.3022 6.3022 8.1283 8.1283 8.6205 8.6205 k = 0.5000-0.2887 0.4082 ( 6074 PWs) bands (ev): -27.3055 -27.3055 -26.4507 -26.4507 -26.4474 -26.4474 -18.0330 -18.0330 -18.0329 -18.0329 -15.0526 -15.0526 -15.0485 -15.0485 -15.0483 -15.0483 -10.9875 -10.9875 -10.7379 -10.7379 -10.7195 -10.7195 -10.1415 -10.1415 -10.1319 -10.1319 -9.8959 -9.8959 -9.8935 -9.8935 -9.8488 -9.8488 -9.8373 -9.8373 -4.3016 -4.3016 2.8350 2.8350 3.9518 3.9518 4.5515 4.5515 5.5599 5.5599 6.2974 6.2974 8.1301 8.1301 8.6263 8.6263 Writing output data file K3Bi.save init_run : 0.60s CPU 0.79s WALL ( 1 calls) electrons : 181.92s CPU 184.17s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.05s CPU 0.09s WALL ( 1 calls) Called by electrons: c_bands : 181.92s CPU 184.16s WALL ( 1 calls) v_of_rho : 0.02s 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 : 0.14s CPU 0.23s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.07s CPU 0.05s WALL ( 242 calls) cegterg : 167.40s CPU 168.95s WALL ( 512 calls) Called by sum_band: Called by *egterg: h_psi : 109.57s CPU 110.64s WALL ( 7688 calls) s_psi : 4.76s CPU 4.87s WALL ( 7688 calls) g_psi : 0.25s CPU 0.26s WALL ( 6934 calls) cdiaghg : 46.61s CPU 47.08s WALL ( 7176 calls) cegterg:over : 6.23s CPU 6.38s WALL ( 6934 calls) cegterg:upda : 6.30s CPU 6.38s WALL ( 6934 calls) cegterg:last : 2.56s CPU 2.52s WALL ( 996 calls) cdiaghg:chol : 2.78s CPU 2.73s WALL ( 7176 calls) cdiaghg:inve : 1.77s CPU 1.75s WALL ( 7176 calls) cdiaghg:para : 2.54s CPU 2.69s WALL ( 14352 calls) Called by h_psi: h_psi:vloc : 98.62s CPU 99.57s WALL ( 7688 calls) h_psi:vnl : 10.63s CPU 10.78s WALL ( 7688 calls) add_vuspsi : 5.66s CPU 5.55s WALL ( 7688 calls) General routines calbec : 4.96s CPU 5.21s WALL ( 7688 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 89.16s CPU 89.68s WALL ( 634304 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.10s CPU 0.31s WALL ( 484 calls) Parallel routines fft_scatter : 25.69s CPU 25.78s WALL ( 634327 calls) PWSCF : 3m16.60s CPU 3m29.84s WALL This run was terminated on: 14:29:51 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=