Program PWSCF v.5.3.0 (svn rev. 11974) starts on 30Jan2017 at 22:30:43 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 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 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: ./Ba2Sb.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 65 40 11 1500 736 115 Max 66 41 12 1503 755 118 Sum 4697 2943 843 108035 53629 8405 bravais-lattice index = 14 lattice parameter (alat) = 18.7852 a.u. unit-cell volume = 1697.2242 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 50.00 number of Kohn-Sham states= 60 kinetic-energy cutoff = 38.0000 Ry charge density cutoff = 242.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 18.785160 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.862127 celldm(5)= -0.862127 celldm(6)= 0.724254 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.724254 0.689533 0.000000 ) a(3) = ( -0.862127 -0.344767 0.371312 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.050355 1.346575 ) b(2) = ( 0.000000 1.450257 1.346575 ) b(3) = ( 0.000000 0.000000 2.693150 ) PseudoPot. # 1 for Ba read from file: /users/gautes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Sb read from file: /users/gautes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ba 10.00 137.32700 Ba( 1.00) Sb 5.00 121.76000 Sb( 1.00) 4 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 1 1 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 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 C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 264 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037879 k( 2) = ( 0.0000000 0.0000000 0.0313157), wk = 0.0037879 k( 3) = ( 0.0000000 0.0000000 0.0626314), wk = 0.0037879 k( 4) = ( 0.0000000 0.0000000 0.0939471), wk = 0.0037879 k( 5) = ( 0.0000000 0.0000000 0.1252628), wk = 0.0037879 k( 6) = ( 0.0000000 0.0000000 0.1565785), wk = 0.0037879 k( 7) = ( 0.0000000 0.0000000 0.1878942), wk = 0.0037879 k( 8) = ( 0.0000000 0.0000000 0.2192099), wk = 0.0037879 k( 9) = ( 0.0000000 0.0000000 0.2505256), wk = 0.0037879 k( 10) = ( 0.0000000 0.0000000 0.2818413), wk = 0.0037879 k( 11) = ( 0.0000000 0.0000000 0.3131570), wk = 0.0037879 k( 12) = ( 0.0000000 0.0000000 0.3444727), wk = 0.0037879 k( 13) = ( 0.0000000 0.0000000 0.3757884), wk = 0.0037879 k( 14) = ( 0.0000000 0.0000000 0.4071041), wk = 0.0037879 k( 15) = ( 0.0000000 0.0000000 0.4384198), wk = 0.0037879 k( 16) = ( 0.0000000 0.0000000 0.4697355), wk = 0.0037879 k( 17) = ( 0.0000000 0.0000000 0.5010512), wk = 0.0037879 k( 18) = ( 0.0000000 0.0000000 0.5323669), wk = 0.0037879 k( 19) = ( 0.0000000 0.0000000 0.5636826), wk = 0.0037879 k( 20) = ( 0.0000000 0.0000000 0.5949983), wk = 0.0037879 k( 21) = ( 0.0000000 0.0000000 0.6263140), wk = 0.0037879 k( 22) = ( 0.0000000 0.0000000 0.6576297), wk = 0.0037879 k( 23) = ( 0.0000000 0.0000000 0.6889453), wk = 0.0037879 k( 24) = ( 0.0000000 0.0000000 0.7202611), wk = 0.0037879 k( 25) = ( 0.0000000 0.0000000 0.7515768), wk = 0.0037879 k( 26) = ( 0.0000000 0.0000000 0.7828924), wk = 0.0037879 k( 27) = ( 0.0000000 0.0000000 0.8142081), wk = 0.0037879 k( 28) = ( 0.0000000 0.0000000 0.8455238), wk = 0.0037879 k( 29) = ( 0.0000000 0.0000000 0.8768396), wk = 0.0037879 k( 30) = ( 0.0000000 0.0000000 0.9081552), wk = 0.0037879 k( 31) = ( 0.0000000 0.0000000 0.9394709), wk = 0.0037879 k( 32) = ( 0.0000000 0.0000000 0.9707866), wk = 0.0037879 k( 33) = ( 0.0000000 0.0000000 1.0021023), wk = 0.0037879 k( 34) = ( 0.0000000 0.0000000 1.0334180), wk = 0.0037879 k( 35) = ( 0.0000000 0.0000000 1.0647337), wk = 0.0037879 k( 36) = ( 0.0000000 0.0000000 1.0960494), wk = 0.0037879 k( 37) = ( 0.0000000 0.0000000 1.1273651), wk = 0.0037879 k( 38) = ( 0.0000000 0.0000000 1.1586808), wk = 0.0037879 k( 39) = ( 0.0000000 0.0000000 1.1899965), wk = 0.0037879 k( 40) = ( 0.0000000 0.0000000 1.2213122), wk = 0.0037879 k( 41) = ( 0.0000000 0.0000000 1.2526279), wk = 0.0037879 k( 42) = ( 0.0000000 0.0000000 1.2839436), wk = 0.0037879 k( 43) = ( 0.0000000 0.0000000 1.3152593), wk = 0.0037879 k( 44) = ( 0.0000000 0.0000000 1.3465750), wk = 0.0037879 k( 45) = ( 0.0000000 0.0000000 1.3465750), wk = 0.0037879 k( 46) = ( -0.0099951 0.0249939 1.3465750), wk = 0.0037879 k( 47) = ( -0.0199902 0.0499878 1.3465750), wk = 0.0037879 k( 48) = ( -0.0299853 0.0749817 1.3465750), wk = 0.0037879 k( 49) = ( -0.0399804 0.0999755 1.3465750), wk = 0.0037879 k( 50) = ( -0.0399804 0.0999755 1.3465750), wk = 0.0037879 k( 51) = ( -0.0481951 0.1205172 1.3244518), wk = 0.0037879 k( 52) = ( -0.0564097 0.1410588 1.3023285), wk = 0.0037879 k( 53) = ( -0.0646243 0.1616004 1.2802053), wk = 0.0037879 k( 54) = ( -0.0728390 0.1821420 1.2580820), wk = 0.0037879 k( 55) = ( -0.0810536 0.2026836 1.2359588), wk = 0.0037879 k( 56) = ( -0.0892682 0.2232252 1.2138355), wk = 0.0037879 k( 57) = ( -0.0974829 0.2437668 1.1917123), wk = 0.0037879 k( 58) = ( -0.1056975 0.2643084 1.1695891), wk = 0.0037879 k( 59) = ( -0.1139122 0.2848500 1.1474658), wk = 0.0037879 k( 60) = ( -0.1221268 0.3053916 1.1253426), wk = 0.0037879 k( 61) = ( -0.1303414 0.3259333 1.1032193), wk = 0.0037879 k( 62) = ( -0.1385561 0.3464749 1.0810961), wk = 0.0037879 k( 63) = ( -0.1467707 0.3670165 1.0589728), wk = 0.0037879 k( 64) = ( -0.1549853 0.3875581 1.0368496), wk = 0.0037879 k( 65) = ( -0.1632000 0.4080997 1.0147264), wk = 0.0037879 k( 66) = ( -0.1714146 0.4286413 0.9926031), wk = 0.0037879 k( 67) = ( -0.1796292 0.4491829 0.9704799), wk = 0.0037879 k( 68) = ( -0.1878439 0.4697245 0.9483566), wk = 0.0037879 k( 69) = ( -0.1960585 0.4902661 0.9262334), wk = 0.0037879 k( 70) = ( -0.2042731 0.5108077 0.9041101), wk = 0.0037879 k( 71) = ( -0.2124878 0.5313494 0.8819869), wk = 0.0037879 k( 72) = ( -0.2207024 0.5518909 0.8598636), wk = 0.0037879 k( 73) = ( -0.2289171 0.5724326 0.8377404), wk = 0.0037879 k( 74) = ( -0.2371317 0.5929742 0.8156171), wk = 0.0037879 k( 75) = ( -0.2453463 0.6135158 0.7934939), wk = 0.0037879 k( 76) = ( -0.2535610 0.6340574 0.7713707), wk = 0.0037879 k( 77) = ( -0.2617756 0.6545990 0.7492474), wk = 0.0037879 k( 78) = ( -0.2699902 0.6751406 0.7271242), wk = 0.0037879 k( 79) = ( -0.2699902 0.6751406 0.7271242), wk = 0.0037879 k( 80) = ( -0.2618087 0.6546818 0.7050901), wk = 0.0037879 k( 81) = ( -0.2536272 0.6342230 0.6830560), wk = 0.0037879 k( 82) = ( -0.2454457 0.6137642 0.6610220), wk = 0.0037879 k( 83) = ( -0.2372641 0.5933054 0.6389879), wk = 0.0037879 k( 84) = ( -0.2290826 0.5728466 0.6169538), wk = 0.0037879 k( 85) = ( -0.2209011 0.5523878 0.5949198), wk = 0.0037879 k( 86) = ( -0.2127196 0.5319290 0.5728857), wk = 0.0037879 k( 87) = ( -0.2045380 0.5114702 0.5508517), wk = 0.0037879 k( 88) = ( -0.1963565 0.4910114 0.5288176), wk = 0.0037879 k( 89) = ( -0.1881750 0.4705525 0.5067835), wk = 0.0037879 k( 90) = ( -0.1799935 0.4500937 0.4847494), wk = 0.0037879 k( 91) = ( -0.1718120 0.4296349 0.4627154), wk = 0.0037879 k( 92) = ( -0.1636304 0.4091761 0.4406813), wk = 0.0037879 k( 93) = ( -0.1554489 0.3887173 0.4186473), wk = 0.0037879 k( 94) = ( -0.1472674 0.3682585 0.3966132), wk = 0.0037879 k( 95) = ( -0.1390859 0.3477997 0.3745791), wk = 0.0037879 k( 96) = ( -0.1309044 0.3273409 0.3525451), wk = 0.0037879 k( 97) = ( -0.1227228 0.3068821 0.3305110), wk = 0.0037879 k( 98) = ( -0.1145413 0.2864233 0.3084769), wk = 0.0037879 k( 99) = ( -0.1063598 0.2659645 0.2864428), wk = 0.0037879 k( 100) = ( -0.0981783 0.2455057 0.2644088), wk = 0.0037879 k( 101) = ( -0.0899967 0.2250469 0.2423747), wk = 0.0037879 k( 102) = ( -0.0818152 0.2045881 0.2203407), wk = 0.0037879 k( 103) = ( -0.0736337 0.1841293 0.1983066), wk = 0.0037879 k( 104) = ( -0.0654522 0.1636705 0.1762725), wk = 0.0037879 k( 105) = ( -0.0572706 0.1432116 0.1542385), wk = 0.0037879 k( 106) = ( -0.0490891 0.1227528 0.1322044), wk = 0.0037879 k( 107) = ( -0.0409076 0.1022940 0.1101703), wk = 0.0037879 k( 108) = ( -0.0327261 0.0818352 0.0881363), wk = 0.0037879 k( 109) = ( -0.0245446 0.0613764 0.0661022), wk = 0.0037879 k( 110) = ( -0.0163630 0.0409176 0.0440681), wk = 0.0037879 k( 111) = ( -0.0081815 0.0204588 0.0220341), wk = 0.0037879 k( 112) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037879 k( 113) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037879 k( 114) = ( 0.0277778 0.0111084 0.0000000), wk = 0.0037879 k( 115) = ( 0.0555556 0.0222168 0.0000000), wk = 0.0037879 k( 116) = ( 0.0833333 0.0333252 0.0000000), wk = 0.0037879 k( 117) = ( 0.1111111 0.0444336 0.0000000), wk = 0.0037879 k( 118) = ( 0.1388889 0.0555420 -0.0000000), wk = 0.0037879 k( 119) = ( 0.1666667 0.0666504 -0.0000000), wk = 0.0037879 k( 120) = ( 0.1944444 0.0777588 0.0000000), wk = 0.0037879 k( 121) = ( 0.2222222 0.0888672 0.0000000), wk = 0.0037879 k( 122) = ( 0.2500000 0.0999756 0.0000000), wk = 0.0037879 k( 123) = ( 0.2777778 0.1110839 -0.0000000), wk = 0.0037879 k( 124) = ( 0.3055556 0.1221923 -0.0000000), wk = 0.0037879 k( 125) = ( 0.3333333 0.1333007 -0.0000000), wk = 0.0037879 k( 126) = ( 0.3611111 0.1444091 -0.0000000), wk = 0.0037879 k( 127) = ( 0.3888889 0.1555175 0.0000000), wk = 0.0037879 k( 128) = ( 0.4166667 0.1666259 0.0000000), wk = 0.0037879 k( 129) = ( 0.4444444 0.1777343 0.0000000), wk = 0.0037879 k( 130) = ( 0.4722222 0.1888427 0.0000000), wk = 0.0037879 k( 131) = ( 0.5000000 0.1999511 0.0000000), wk = 0.0037879 k( 132) = ( 0.5000000 0.1999511 0.0000000), wk = 0.0037879 k( 133) = ( 0.4917854 0.2204927 0.0221232), wk = 0.0037879 k( 134) = ( 0.4835707 0.2410343 0.0442465), wk = 0.0037879 k( 135) = ( 0.4753561 0.2615759 0.0663697), wk = 0.0037879 k( 136) = ( 0.4671415 0.2821175 0.0884930), wk = 0.0037879 k( 137) = ( 0.4589268 0.3026591 0.1106162), wk = 0.0037879 k( 138) = ( 0.4507122 0.3232008 0.1327395), wk = 0.0037879 k( 139) = ( 0.4424976 0.3437424 0.1548627), wk = 0.0037879 k( 140) = ( 0.4342829 0.3642840 0.1769860), wk = 0.0037879 k( 141) = ( 0.4260683 0.3848256 0.1991092), wk = 0.0037879 k( 142) = ( 0.4178537 0.4053672 0.2212324), wk = 0.0037879 k( 143) = ( 0.4096390 0.4259088 0.2433557), wk = 0.0037879 k( 144) = ( 0.4014244 0.4464504 0.2654789), wk = 0.0037879 k( 145) = ( 0.3932098 0.4669920 0.2876022), wk = 0.0037879 k( 146) = ( 0.3849951 0.4875336 0.3097254), wk = 0.0037879 k( 147) = ( 0.3767805 0.5080752 0.3318487), wk = 0.0037879 k( 148) = ( 0.3685658 0.5286169 0.3539719), wk = 0.0037879 k( 149) = ( 0.3603512 0.5491585 0.3760951), wk = 0.0037879 k( 150) = ( 0.3521366 0.5697001 0.3982184), wk = 0.0037879 k( 151) = ( 0.3439219 0.5902417 0.4203416), wk = 0.0037879 k( 152) = ( 0.3357073 0.6107833 0.4424649), wk = 0.0037879 k( 153) = ( 0.3274927 0.6313249 0.4645881), wk = 0.0037879 k( 154) = ( 0.3192780 0.6518665 0.4867114), wk = 0.0037879 k( 155) = ( 0.3110634 0.6724081 0.5088346), wk = 0.0037879 k( 156) = ( 0.3028488 0.6929497 0.5309579), wk = 0.0037879 k( 157) = ( 0.2946341 0.7134913 0.5530811), wk = 0.0037879 k( 158) = ( 0.2864195 0.7340329 0.5752044), wk = 0.0037879 k( 159) = ( 0.2782049 0.7545745 0.5973276), wk = 0.0037879 k( 160) = ( 0.2699902 0.7751162 0.6194508), wk = 0.0037879 k( 161) = ( 0.2699902 0.7751162 0.6194508), wk = 0.0037879 k( 162) = ( 0.2399913 0.7695620 0.6254327), wk = 0.0037879 k( 163) = ( 0.2099924 0.7640078 0.6314145), wk = 0.0037879 k( 164) = ( 0.1799935 0.7584536 0.6373964), wk = 0.0037879 k( 165) = ( 0.1499946 0.7528994 0.6433782), wk = 0.0037879 k( 166) = ( 0.1199956 0.7473452 0.6493601), wk = 0.0037879 k( 167) = ( 0.0899967 0.7417910 0.6553420), wk = 0.0037879 k( 168) = ( 0.0599978 0.7362368 0.6613238), wk = 0.0037879 k( 169) = ( 0.0299989 0.7306826 0.6673057), wk = 0.0037879 k( 170) = ( 0.0000000 0.7251284 0.6732875), wk = 0.0037879 k( 171) = ( 0.0000000 0.7251284 0.6732875), wk = 0.0037879 k( 172) = ( 0.0080645 0.7049622 0.6950065), wk = 0.0037879 k( 173) = ( 0.0161290 0.6847960 0.7167254), wk = 0.0037879 k( 174) = ( 0.0241936 0.6646297 0.7384444), wk = 0.0037879 k( 175) = ( 0.0322581 0.6444635 0.7601633), wk = 0.0037879 k( 176) = ( 0.0403226 0.6242973 0.7818823), wk = 0.0037879 k( 177) = ( 0.0483871 0.6041311 0.8036012), wk = 0.0037879 k( 178) = ( 0.0564516 0.5839649 0.8253202), wk = 0.0037879 k( 179) = ( 0.0645161 0.5637986 0.8470391), wk = 0.0037879 k( 180) = ( 0.0725806 0.5436324 0.8687581), wk = 0.0037879 k( 181) = ( 0.0806452 0.5234662 0.8904770), wk = 0.0037879 k( 182) = ( 0.0887097 0.5033000 0.9121960), wk = 0.0037879 k( 183) = ( 0.0967742 0.4831338 0.9339149), wk = 0.0037879 k( 184) = ( 0.1048387 0.4629675 0.9556339), wk = 0.0037879 k( 185) = ( 0.1129032 0.4428013 0.9773528), wk = 0.0037879 k( 186) = ( 0.1209677 0.4226351 0.9990718), wk = 0.0037879 k( 187) = ( 0.1290323 0.4024689 1.0207907), wk = 0.0037879 k( 188) = ( 0.1370968 0.3823026 1.0425097), wk = 0.0037879 k( 189) = ( 0.1451613 0.3621364 1.0642286), wk = 0.0037879 k( 190) = ( 0.1532258 0.3419702 1.0859476), wk = 0.0037879 k( 191) = ( 0.1612903 0.3218040 1.1076665), wk = 0.0037879 k( 192) = ( 0.1693548 0.3016378 1.1293855), wk = 0.0037879 k( 193) = ( 0.1774194 0.2814715 1.1511044), wk = 0.0037879 k( 194) = ( 0.1854839 0.2613053 1.1728234), wk = 0.0037879 k( 195) = ( 0.1935484 0.2411391 1.1945424), wk = 0.0037879 k( 196) = ( 0.2016129 0.2209729 1.2162613), wk = 0.0037879 k( 197) = ( 0.2096774 0.2008067 1.2379803), wk = 0.0037879 k( 198) = ( 0.2177419 0.1806404 1.2596992), wk = 0.0037879 k( 199) = ( 0.2258064 0.1604742 1.2814182), wk = 0.0037879 k( 200) = ( 0.2338710 0.1403080 1.3031371), wk = 0.0037879 k( 201) = ( 0.2419355 0.1201418 1.3248561), wk = 0.0037879 k( 202) = ( 0.2500000 0.0999756 1.3465750), wk = 0.0037879 k( 203) = ( 0.2500000 0.0999756 1.3465750), wk = 0.0037879 k( 204) = ( 0.2750000 0.1099731 1.3358077), wk = 0.0037879 k( 205) = ( 0.3000000 0.1199707 1.3250403), wk = 0.0037879 k( 206) = ( 0.3250000 0.1299682 1.3142730), wk = 0.0037879 k( 207) = ( 0.3500000 0.1399658 1.3035057), wk = 0.0037879 k( 208) = ( 0.3750000 0.1499633 1.2927384), wk = 0.0037879 k( 209) = ( 0.4000000 0.1599609 1.2819710), wk = 0.0037879 k( 210) = ( 0.4250000 0.1699584 1.2712037), wk = 0.0037879 k( 211) = ( 0.4500000 0.1799560 1.2604363), wk = 0.0037879 k( 212) = ( 0.4750000 0.1899535 1.2496690), wk = 0.0037879 k( 213) = ( 0.5000000 0.1999511 1.2389017), wk = 0.0037879 k( 214) = ( 0.5000000 0.1999511 1.2389017), wk = 0.0037879 k( 215) = ( 0.5000000 0.1999511 1.2079291), wk = 0.0037879 k( 216) = ( 0.5000000 0.1999511 1.1769566), wk = 0.0037879 k( 217) = ( 0.5000000 0.1999511 1.1459841), wk = 0.0037879 k( 218) = ( 0.5000000 0.1999511 1.1150115), wk = 0.0037879 k( 219) = ( 0.5000000 0.1999511 1.0840390), wk = 0.0037879 k( 220) = ( 0.5000000 0.1999511 1.0530664), wk = 0.0037879 k( 221) = ( 0.5000000 0.1999511 1.0220939), wk = 0.0037879 k( 222) = ( 0.5000000 0.1999511 0.9911213), wk = 0.0037879 k( 223) = ( 0.5000000 0.1999511 0.9601488), wk = 0.0037879 k( 224) = ( 0.5000000 0.1999511 0.9291763), wk = 0.0037879 k( 225) = ( 0.5000000 0.1999511 0.8982037), wk = 0.0037879 k( 226) = ( 0.5000000 0.1999511 0.8672312), wk = 0.0037879 k( 227) = ( 0.5000000 0.1999511 0.8362586), wk = 0.0037879 k( 228) = ( 0.5000000 0.1999511 0.8052861), wk = 0.0037879 k( 229) = ( 0.5000000 0.1999511 0.7743135), wk = 0.0037879 k( 230) = ( 0.5000000 0.1999511 0.7433410), wk = 0.0037879 k( 231) = ( 0.5000000 0.1999511 0.7123685), wk = 0.0037879 k( 232) = ( 0.5000000 0.1999511 0.6813959), wk = 0.0037879 k( 233) = ( 0.5000000 0.1999511 0.6504234), wk = 0.0037879 k( 234) = ( 0.5000000 0.1999511 0.6194508), wk = 0.0037879 k( 235) = ( 0.5000000 0.1999511 0.5884783), wk = 0.0037879 k( 236) = ( 0.5000000 0.1999511 0.5575058), wk = 0.0037879 k( 237) = ( 0.5000000 0.1999511 0.5265332), wk = 0.0037879 k( 238) = ( 0.5000000 0.1999511 0.4955607), wk = 0.0037879 k( 239) = ( 0.5000000 0.1999511 0.4645881), wk = 0.0037879 k( 240) = ( 0.5000000 0.1999511 0.4336156), wk = 0.0037879 k( 241) = ( 0.5000000 0.1999511 0.4026431), wk = 0.0037879 k( 242) = ( 0.5000000 0.1999511 0.3716705), wk = 0.0037879 k( 243) = ( 0.5000000 0.1999511 0.3406980), wk = 0.0037879 k( 244) = ( 0.5000000 0.1999511 0.3097254), wk = 0.0037879 k( 245) = ( 0.5000000 0.1999511 0.2787529), wk = 0.0037879 k( 246) = ( 0.5000000 0.1999511 0.2477803), wk = 0.0037879 k( 247) = ( 0.5000000 0.1999511 0.2168078), wk = 0.0037879 k( 248) = ( 0.5000000 0.1999511 0.1858352), wk = 0.0037879 k( 249) = ( 0.5000000 0.1999511 0.1548627), wk = 0.0037879 k( 250) = ( 0.5000000 0.1999511 0.1238902), wk = 0.0037879 k( 251) = ( 0.5000000 0.1999511 0.0929176), wk = 0.0037879 k( 252) = ( 0.5000000 0.1999511 0.0619451), wk = 0.0037879 k( 253) = ( 0.5000000 0.1999511 0.0309725), wk = 0.0037879 k( 254) = ( 0.5000000 0.1999511 0.0000000), wk = 0.0037879 k( 255) = ( 0.0000000 0.0000000 1.3465750), wk = 0.0037879 k( 256) = ( 0.0277778 0.0111084 1.3465750), wk = 0.0037879 k( 257) = ( 0.0555556 0.0222168 1.3465750), wk = 0.0037879 k( 258) = ( 0.0833333 0.0333252 1.3465750), wk = 0.0037879 k( 259) = ( 0.1111111 0.0444336 1.3465750), wk = 0.0037879 k( 260) = ( 0.1388889 0.0555420 1.3465750), wk = 0.0037879 k( 261) = ( 0.1666667 0.0666504 1.3465750), wk = 0.0037879 k( 262) = ( 0.1944444 0.0777588 1.3465750), wk = 0.0037879 k( 263) = ( 0.2222222 0.0888672 1.3465750), wk = 0.0037879 k( 264) = ( 0.2500000 0.0999756 1.3465750), wk = 0.0037879 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037879 k( 2) = ( 0.0000000 0.0000000 0.0116279), wk = 0.0037879 k( 3) = ( 0.0000000 0.0000000 0.0232558), wk = 0.0037879 k( 4) = ( 0.0000000 0.0000000 0.0348837), wk = 0.0037879 k( 5) = ( 0.0000000 0.0000000 0.0465116), wk = 0.0037879 k( 6) = ( 0.0000000 0.0000000 0.0581395), wk = 0.0037879 k( 7) = ( 0.0000000 0.0000000 0.0697674), wk = 0.0037879 k( 8) = ( 0.0000000 0.0000000 0.0813954), wk = 0.0037879 k( 9) = ( 0.0000000 0.0000000 0.0930233), wk = 0.0037879 k( 10) = ( 0.0000000 0.0000000 0.1046512), wk = 0.0037879 k( 11) = ( 0.0000000 0.0000000 0.1162791), wk = 0.0037879 k( 12) = ( 0.0000000 0.0000000 0.1279070), wk = 0.0037879 k( 13) = ( 0.0000000 0.0000000 0.1395349), wk = 0.0037879 k( 14) = ( 0.0000000 0.0000000 0.1511628), wk = 0.0037879 k( 15) = ( 0.0000000 0.0000000 0.1627907), wk = 0.0037879 k( 16) = ( 0.0000000 0.0000000 0.1744186), wk = 0.0037879 k( 17) = ( 0.0000000 0.0000000 0.1860465), wk = 0.0037879 k( 18) = ( 0.0000000 0.0000000 0.1976744), wk = 0.0037879 k( 19) = ( 0.0000000 0.0000000 0.2093023), wk = 0.0037879 k( 20) = ( 0.0000000 0.0000000 0.2209302), wk = 0.0037879 k( 21) = ( 0.0000000 0.0000000 0.2325581), wk = 0.0037879 k( 22) = ( 0.0000000 0.0000000 0.2441861), wk = 0.0037879 k( 23) = ( 0.0000000 0.0000000 0.2558140), wk = 0.0037879 k( 24) = ( 0.0000000 0.0000000 0.2674419), wk = 0.0037879 k( 25) = ( 0.0000000 0.0000000 0.2790698), wk = 0.0037879 k( 26) = ( 0.0000000 0.0000000 0.2906977), wk = 0.0037879 k( 27) = ( 0.0000000 0.0000000 0.3023256), wk = 0.0037879 k( 28) = ( 0.0000000 0.0000000 0.3139535), wk = 0.0037879 k( 29) = ( 0.0000000 0.0000000 0.3255814), wk = 0.0037879 k( 30) = ( 0.0000000 0.0000000 0.3372093), wk = 0.0037879 k( 31) = ( 0.0000000 0.0000000 0.3488372), wk = 0.0037879 k( 32) = ( 0.0000000 0.0000000 0.3604651), wk = 0.0037879 k( 33) = ( 0.0000000 0.0000000 0.3720930), wk = 0.0037879 k( 34) = ( 0.0000000 0.0000000 0.3837209), wk = 0.0037879 k( 35) = ( 0.0000000 0.0000000 0.3953488), wk = 0.0037879 k( 36) = ( 0.0000000 0.0000000 0.4069767), wk = 0.0037879 k( 37) = ( 0.0000000 0.0000000 0.4186047), wk = 0.0037879 k( 38) = ( 0.0000000 0.0000000 0.4302326), wk = 0.0037879 k( 39) = ( 0.0000000 0.0000000 0.4418605), wk = 0.0037879 k( 40) = ( 0.0000000 0.0000000 0.4534884), wk = 0.0037879 k( 41) = ( 0.0000000 0.0000000 0.4651163), wk = 0.0037879 k( 42) = ( 0.0000000 0.0000000 0.4767442), wk = 0.0037879 k( 43) = ( 0.0000000 0.0000000 0.4883721), wk = 0.0037879 k( 44) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037879 k( 45) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037879 k( 46) = ( -0.0099951 0.0099951 0.5000000), wk = 0.0037879 k( 47) = ( -0.0199902 0.0199902 0.5000000), wk = 0.0037879 k( 48) = ( -0.0299853 0.0299853 0.5000000), wk = 0.0037879 k( 49) = ( -0.0399804 0.0399804 0.5000000), wk = 0.0037879 k( 50) = ( -0.0399804 0.0399804 0.5000000), wk = 0.0037879 k( 51) = ( -0.0481951 0.0481951 0.4917854), wk = 0.0037879 k( 52) = ( -0.0564097 0.0564097 0.4835707), wk = 0.0037879 k( 53) = ( -0.0646243 0.0646244 0.4753561), wk = 0.0037879 k( 54) = ( -0.0728390 0.0728390 0.4671415), wk = 0.0037879 k( 55) = ( -0.0810536 0.0810536 0.4589268), wk = 0.0037879 k( 56) = ( -0.0892682 0.0892683 0.4507122), wk = 0.0037879 k( 57) = ( -0.0974829 0.0974829 0.4424976), wk = 0.0037879 k( 58) = ( -0.1056975 0.1056975 0.4342829), wk = 0.0037879 k( 59) = ( -0.1139122 0.1139122 0.4260683), wk = 0.0037879 k( 60) = ( -0.1221268 0.1221268 0.4178537), wk = 0.0037879 k( 61) = ( -0.1303414 0.1303414 0.4096390), wk = 0.0037879 k( 62) = ( -0.1385561 0.1385561 0.4014244), wk = 0.0037879 k( 63) = ( -0.1467707 0.1467707 0.3932098), wk = 0.0037879 k( 64) = ( -0.1549853 0.1549853 0.3849951), wk = 0.0037879 k( 65) = ( -0.1632000 0.1632000 0.3767805), wk = 0.0037879 k( 66) = ( -0.1714146 0.1714146 0.3685658), wk = 0.0037879 k( 67) = ( -0.1796292 0.1796292 0.3603512), wk = 0.0037879 k( 68) = ( -0.1878439 0.1878439 0.3521366), wk = 0.0037879 k( 69) = ( -0.1960585 0.1960585 0.3439219), wk = 0.0037879 k( 70) = ( -0.2042731 0.2042731 0.3357073), wk = 0.0037879 k( 71) = ( -0.2124878 0.2124878 0.3274927), wk = 0.0037879 k( 72) = ( -0.2207024 0.2207024 0.3192780), wk = 0.0037879 k( 73) = ( -0.2289171 0.2289170 0.3110634), wk = 0.0037879 k( 74) = ( -0.2371317 0.2371317 0.3028488), wk = 0.0037879 k( 75) = ( -0.2453463 0.2453463 0.2946341), wk = 0.0037879 k( 76) = ( -0.2535610 0.2535610 0.2864195), wk = 0.0037879 k( 77) = ( -0.2617756 0.2617756 0.2782049), wk = 0.0037879 k( 78) = ( -0.2699902 0.2699902 0.2699902), wk = 0.0037879 k( 79) = ( -0.2699902 0.2699902 0.2699902), wk = 0.0037879 k( 80) = ( -0.2618087 0.2618087 0.2618087), wk = 0.0037879 k( 81) = ( -0.2536272 0.2536272 0.2536272), wk = 0.0037879 k( 82) = ( -0.2454457 0.2454457 0.2454457), wk = 0.0037879 k( 83) = ( -0.2372641 0.2372641 0.2372641), wk = 0.0037879 k( 84) = ( -0.2290826 0.2290826 0.2290826), wk = 0.0037879 k( 85) = ( -0.2209011 0.2209011 0.2209011), wk = 0.0037879 k( 86) = ( -0.2127196 0.2127196 0.2127196), wk = 0.0037879 k( 87) = ( -0.2045380 0.2045381 0.2045380), wk = 0.0037879 k( 88) = ( -0.1963565 0.1963565 0.1963565), wk = 0.0037879 k( 89) = ( -0.1881750 0.1881750 0.1881750), wk = 0.0037879 k( 90) = ( -0.1799935 0.1799935 0.1799935), wk = 0.0037879 k( 91) = ( -0.1718120 0.1718120 0.1718120), wk = 0.0037879 k( 92) = ( -0.1636304 0.1636304 0.1636304), wk = 0.0037879 k( 93) = ( -0.1554489 0.1554489 0.1554489), wk = 0.0037879 k( 94) = ( -0.1472674 0.1472674 0.1472674), wk = 0.0037879 k( 95) = ( -0.1390859 0.1390859 0.1390859), wk = 0.0037879 k( 96) = ( -0.1309044 0.1309044 0.1309044), wk = 0.0037879 k( 97) = ( -0.1227228 0.1227228 0.1227228), wk = 0.0037879 k( 98) = ( -0.1145413 0.1145413 0.1145413), wk = 0.0037879 k( 99) = ( -0.1063598 0.1063598 0.1063598), wk = 0.0037879 k( 100) = ( -0.0981783 0.0981783 0.0981783), wk = 0.0037879 k( 101) = ( -0.0899967 0.0899967 0.0899967), wk = 0.0037879 k( 102) = ( -0.0818152 0.0818152 0.0818152), wk = 0.0037879 k( 103) = ( -0.0736337 0.0736337 0.0736337), wk = 0.0037879 k( 104) = ( -0.0654522 0.0654522 0.0654522), wk = 0.0037879 k( 105) = ( -0.0572706 0.0572707 0.0572706), wk = 0.0037879 k( 106) = ( -0.0490891 0.0490891 0.0490891), wk = 0.0037879 k( 107) = ( -0.0409076 0.0409076 0.0409076), wk = 0.0037879 k( 108) = ( -0.0327261 0.0327261 0.0327261), wk = 0.0037879 k( 109) = ( -0.0245446 0.0245446 0.0245446), wk = 0.0037879 k( 110) = ( -0.0163630 0.0163630 0.0163630), wk = 0.0037879 k( 111) = ( -0.0081815 0.0081815 0.0081815), wk = 0.0037879 k( 112) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037879 k( 113) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037879 k( 114) = ( 0.0277778 0.0277778 -0.0277778), wk = 0.0037879 k( 115) = ( 0.0555556 0.0555556 -0.0555556), wk = 0.0037879 k( 116) = ( 0.0833333 0.0833333 -0.0833333), wk = 0.0037879 k( 117) = ( 0.1111111 0.1111111 -0.1111111), wk = 0.0037879 k( 118) = ( 0.1388889 0.1388889 -0.1388889), wk = 0.0037879 k( 119) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0037879 k( 120) = ( 0.1944444 0.1944444 -0.1944444), wk = 0.0037879 k( 121) = ( 0.2222222 0.2222222 -0.2222222), wk = 0.0037879 k( 122) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0037879 k( 123) = ( 0.2777778 0.2777778 -0.2777778), wk = 0.0037879 k( 124) = ( 0.3055556 0.3055556 -0.3055556), wk = 0.0037879 k( 125) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0037879 k( 126) = ( 0.3611111 0.3611111 -0.3611111), wk = 0.0037879 k( 127) = ( 0.3888889 0.3888889 -0.3888889), wk = 0.0037879 k( 128) = ( 0.4166667 0.4166667 -0.4166667), wk = 0.0037879 k( 129) = ( 0.4444444 0.4444444 -0.4444444), wk = 0.0037879 k( 130) = ( 0.4722222 0.4722222 -0.4722222), wk = 0.0037879 k( 131) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0037879 k( 132) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0037879 k( 133) = ( 0.4917854 0.5082146 -0.4917854), wk = 0.0037879 k( 134) = ( 0.4835707 0.5164293 -0.4835707), wk = 0.0037879 k( 135) = ( 0.4753561 0.5246439 -0.4753561), wk = 0.0037879 k( 136) = ( 0.4671415 0.5328585 -0.4671415), wk = 0.0037879 k( 137) = ( 0.4589268 0.5410732 -0.4589268), wk = 0.0037879 k( 138) = ( 0.4507122 0.5492878 -0.4507122), wk = 0.0037879 k( 139) = ( 0.4424976 0.5575024 -0.4424976), wk = 0.0037879 k( 140) = ( 0.4342829 0.5657171 -0.4342829), wk = 0.0037879 k( 141) = ( 0.4260683 0.5739317 -0.4260683), wk = 0.0037879 k( 142) = ( 0.4178537 0.5821464 -0.4178536), wk = 0.0037879 k( 143) = ( 0.4096390 0.5903610 -0.4096390), wk = 0.0037879 k( 144) = ( 0.4014244 0.5985756 -0.4014244), wk = 0.0037879 k( 145) = ( 0.3932098 0.6067902 -0.3932097), wk = 0.0037879 k( 146) = ( 0.3849951 0.6150049 -0.3849951), wk = 0.0037879 k( 147) = ( 0.3767805 0.6232195 -0.3767805), wk = 0.0037879 k( 148) = ( 0.3685658 0.6314342 -0.3685658), wk = 0.0037879 k( 149) = ( 0.3603512 0.6396488 -0.3603512), wk = 0.0037879 k( 150) = ( 0.3521366 0.6478634 -0.3521366), wk = 0.0037879 k( 151) = ( 0.3439219 0.6560781 -0.3439219), wk = 0.0037879 k( 152) = ( 0.3357073 0.6642927 -0.3357073), wk = 0.0037879 k( 153) = ( 0.3274927 0.6725073 -0.3274927), wk = 0.0037879 k( 154) = ( 0.3192780 0.6807220 -0.3192780), wk = 0.0037879 k( 155) = ( 0.3110634 0.6889366 -0.3110634), wk = 0.0037879 k( 156) = ( 0.3028488 0.6971512 -0.3028488), wk = 0.0037879 k( 157) = ( 0.2946341 0.7053659 -0.2946341), wk = 0.0037879 k( 158) = ( 0.2864195 0.7135805 -0.2864195), wk = 0.0037879 k( 159) = ( 0.2782049 0.7217951 -0.2782049), wk = 0.0037879 k( 160) = ( 0.2699902 0.7300098 -0.2699902), wk = 0.0037879 k( 161) = ( 0.2699902 0.7300098 -0.2699902), wk = 0.0037879 k( 162) = ( 0.2399913 0.7044531 -0.2399913), wk = 0.0037879 k( 163) = ( 0.2099924 0.6788965 -0.2099924), wk = 0.0037879 k( 164) = ( 0.1799935 0.6533399 -0.1799935), wk = 0.0037879 k( 165) = ( 0.1499946 0.6277832 -0.1499946), wk = 0.0037879 k( 166) = ( 0.1199956 0.6022266 -0.1199956), wk = 0.0037879 k( 167) = ( 0.0899967 0.5766699 -0.0899967), wk = 0.0037879 k( 168) = ( 0.0599978 0.5511133 -0.0599978), wk = 0.0037879 k( 169) = ( 0.0299989 0.5255566 -0.0299989), wk = 0.0037879 k( 170) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0037879 k( 171) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0037879 k( 172) = ( 0.0080645 0.4919355 0.0080645), wk = 0.0037879 k( 173) = ( 0.0161290 0.4838710 0.0161290), wk = 0.0037879 k( 174) = ( 0.0241936 0.4758064 0.0241936), wk = 0.0037879 k( 175) = ( 0.0322581 0.4677419 0.0322581), wk = 0.0037879 k( 176) = ( 0.0403226 0.4596774 0.0403226), wk = 0.0037879 k( 177) = ( 0.0483871 0.4516129 0.0483871), wk = 0.0037879 k( 178) = ( 0.0564516 0.4435484 0.0564516), wk = 0.0037879 k( 179) = ( 0.0645161 0.4354839 0.0645161), wk = 0.0037879 k( 180) = ( 0.0725806 0.4274193 0.0725807), wk = 0.0037879 k( 181) = ( 0.0806452 0.4193548 0.0806452), wk = 0.0037879 k( 182) = ( 0.0887097 0.4112903 0.0887097), wk = 0.0037879 k( 183) = ( 0.0967742 0.4032258 0.0967742), wk = 0.0037879 k( 184) = ( 0.1048387 0.3951613 0.1048387), wk = 0.0037879 k( 185) = ( 0.1129032 0.3870968 0.1129032), wk = 0.0037879 k( 186) = ( 0.1209677 0.3790323 0.1209677), wk = 0.0037879 k( 187) = ( 0.1290323 0.3709677 0.1290323), wk = 0.0037879 k( 188) = ( 0.1370968 0.3629032 0.1370968), wk = 0.0037879 k( 189) = ( 0.1451613 0.3548387 0.1451613), wk = 0.0037879 k( 190) = ( 0.1532258 0.3467742 0.1532258), wk = 0.0037879 k( 191) = ( 0.1612903 0.3387097 0.1612903), wk = 0.0037879 k( 192) = ( 0.1693548 0.3306452 0.1693548), wk = 0.0037879 k( 193) = ( 0.1774194 0.3225806 0.1774194), wk = 0.0037879 k( 194) = ( 0.1854839 0.3145161 0.1854839), wk = 0.0037879 k( 195) = ( 0.1935484 0.3064516 0.1935484), wk = 0.0037879 k( 196) = ( 0.2016129 0.2983871 0.2016129), wk = 0.0037879 k( 197) = ( 0.2096774 0.2903226 0.2096774), wk = 0.0037879 k( 198) = ( 0.2177419 0.2822581 0.2177419), wk = 0.0037879 k( 199) = ( 0.2258064 0.2741935 0.2258065), wk = 0.0037879 k( 200) = ( 0.2338710 0.2661290 0.2338710), wk = 0.0037879 k( 201) = ( 0.2419355 0.2580645 0.2419355), wk = 0.0037879 k( 202) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0037879 k( 203) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0037879 k( 204) = ( 0.2750000 0.2750000 0.2210020), wk = 0.0037879 k( 205) = ( 0.3000000 0.3000000 0.1920039), wk = 0.0037879 k( 206) = ( 0.3250000 0.3250000 0.1630059), wk = 0.0037879 k( 207) = ( 0.3500000 0.3500000 0.1340078), wk = 0.0037879 k( 208) = ( 0.3750000 0.3750000 0.1050098), wk = 0.0037879 k( 209) = ( 0.4000000 0.4000000 0.0760117), wk = 0.0037879 k( 210) = ( 0.4250000 0.4250000 0.0470137), wk = 0.0037879 k( 211) = ( 0.4500000 0.4500000 0.0180156), wk = 0.0037879 k( 212) = ( 0.4750000 0.4750000 -0.0109824), wk = 0.0037879 k( 213) = ( 0.5000000 0.5000000 -0.0399804), wk = 0.0037879 k( 214) = ( 0.5000000 0.5000000 -0.0399804), wk = 0.0037879 k( 215) = ( 0.5000000 0.5000000 -0.0514809), wk = 0.0037879 k( 216) = ( 0.5000000 0.5000000 -0.0629814), wk = 0.0037879 k( 217) = ( 0.5000000 0.5000000 -0.0744819), wk = 0.0037879 k( 218) = ( 0.5000000 0.5000000 -0.0859824), wk = 0.0037879 k( 219) = ( 0.5000000 0.5000000 -0.0974829), wk = 0.0037879 k( 220) = ( 0.5000000 0.5000000 -0.1089834), wk = 0.0037879 k( 221) = ( 0.5000000 0.5000000 -0.1204839), wk = 0.0037879 k( 222) = ( 0.5000000 0.5000000 -0.1319844), wk = 0.0037879 k( 223) = ( 0.5000000 0.5000000 -0.1434848), wk = 0.0037879 k( 224) = ( 0.5000000 0.5000000 -0.1549853), wk = 0.0037879 k( 225) = ( 0.5000000 0.5000000 -0.1664858), wk = 0.0037879 k( 226) = ( 0.5000000 0.5000000 -0.1779863), wk = 0.0037879 k( 227) = ( 0.5000000 0.5000000 -0.1894868), wk = 0.0037879 k( 228) = ( 0.5000000 0.5000000 -0.2009873), wk = 0.0037879 k( 229) = ( 0.5000000 0.5000000 -0.2124878), wk = 0.0037879 k( 230) = ( 0.5000000 0.5000000 -0.2239883), wk = 0.0037879 k( 231) = ( 0.5000000 0.5000000 -0.2354888), wk = 0.0037879 k( 232) = ( 0.5000000 0.5000000 -0.2469892), wk = 0.0037879 k( 233) = ( 0.5000000 0.5000000 -0.2584897), wk = 0.0037879 k( 234) = ( 0.5000000 0.5000000 -0.2699902), wk = 0.0037879 k( 235) = ( 0.5000000 0.5000000 -0.2814907), wk = 0.0037879 k( 236) = ( 0.5000000 0.5000000 -0.2929912), wk = 0.0037879 k( 237) = ( 0.5000000 0.5000000 -0.3044917), wk = 0.0037879 k( 238) = ( 0.5000000 0.5000000 -0.3159922), wk = 0.0037879 k( 239) = ( 0.5000000 0.5000000 -0.3274927), wk = 0.0037879 k( 240) = ( 0.5000000 0.5000000 -0.3389932), wk = 0.0037879 k( 241) = ( 0.5000000 0.5000000 -0.3504936), wk = 0.0037879 k( 242) = ( 0.5000000 0.5000000 -0.3619941), wk = 0.0037879 k( 243) = ( 0.5000000 0.5000000 -0.3734946), wk = 0.0037879 k( 244) = ( 0.5000000 0.5000000 -0.3849951), wk = 0.0037879 k( 245) = ( 0.5000000 0.5000000 -0.3964956), wk = 0.0037879 k( 246) = ( 0.5000000 0.5000000 -0.4079961), wk = 0.0037879 k( 247) = ( 0.5000000 0.5000000 -0.4194966), wk = 0.0037879 k( 248) = ( 0.5000000 0.5000000 -0.4309971), wk = 0.0037879 k( 249) = ( 0.5000000 0.5000000 -0.4424976), wk = 0.0037879 k( 250) = ( 0.5000000 0.5000000 -0.4539980), wk = 0.0037879 k( 251) = ( 0.5000000 0.5000000 -0.4654985), wk = 0.0037879 k( 252) = ( 0.5000000 0.5000000 -0.4769990), wk = 0.0037879 k( 253) = ( 0.5000000 0.5000000 -0.4884995), wk = 0.0037879 k( 254) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0037879 k( 255) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037879 k( 256) = ( 0.0277778 0.0277778 0.4722222), wk = 0.0037879 k( 257) = ( 0.0555556 0.0555556 0.4444444), wk = 0.0037879 k( 258) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0037879 k( 259) = ( 0.1111111 0.1111111 0.3888889), wk = 0.0037879 k( 260) = ( 0.1388889 0.1388889 0.3611111), wk = 0.0037879 k( 261) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0037879 k( 262) = ( 0.1944444 0.1944444 0.3055556), wk = 0.0037879 k( 263) = ( 0.2222222 0.2222222 0.2777778), wk = 0.0037879 k( 264) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0037879 Dense grid: 108035 G-vectors FFT dimensions: ( 96, 96, 96) Smooth grid: 53629 G-vectors FFT dimensions: ( 75, 75, 75) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.18 Mb ( 196, 60) NL pseudopotentials 0.31 Mb ( 98, 208) Each V/rho on FFT grid 0.28 Mb ( 18432) Each G-vector array 0.01 Mb ( 1501) G-vector shells 0.01 Mb ( 729) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.72 Mb ( 196, 240) Each subspace H/S matrix 0.02 Mb ( 40, 40) Each matrix 0.38 Mb ( 208, 2, 60) The potential is recalculated from file : ./Ba2Sb.save/charge-density.dat Starting wfc are 56 randomized atomic wfcs + 4 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.3 secs Computing kpt #: 2 total cpu time spent up to now is 6.0 secs Computing kpt #: 3 total cpu time spent up to now is 7.8 secs Computing kpt #: 4 total cpu time spent up to now is 9.7 secs Computing kpt #: 5 total cpu time spent up to now is 11.7 secs Computing kpt #: 6 total cpu time spent up to now is 13.4 secs Computing kpt #: 7 total cpu time spent up to now is 15.2 secs Computing kpt #: 8 total cpu time spent up to now is 17.0 secs Computing kpt #: 9 total cpu time spent up to now is 18.7 secs Computing kpt #: 10 total cpu time spent up to now is 20.5 secs Computing kpt #: 11 total cpu time spent up to now is 22.2 secs Computing kpt #: 12 total cpu time spent up to now is 23.9 secs Computing kpt #: 13 total cpu time spent up to now is 25.3 secs Computing kpt #: 14 total cpu time spent up to now is 26.7 secs Computing kpt #: 15 total cpu time spent up to now is 28.5 secs Computing kpt #: 16 total cpu time spent up to now is 30.1 secs Computing kpt #: 17 total cpu time spent up to now is 31.9 secs Computing kpt #: 18 total cpu time spent up to now is 33.6 secs Computing kpt #: 19 total cpu time spent up to now is 35.4 secs Computing kpt #: 20 total cpu time spent up to now is 37.2 secs Computing kpt #: 21 total cpu time spent up to now is 39.0 secs Computing kpt #: 22 total cpu time spent up to now is 40.8 secs Computing kpt #: 23 total cpu time spent up to now is 42.6 secs Computing kpt #: 24 total cpu time spent up to now is 44.3 secs Computing kpt #: 25 total cpu time spent up to now is 46.0 secs Computing kpt #: 26 total cpu time spent up to now is 47.5 secs Computing kpt #: 27 total cpu time spent up to now is 48.9 secs Computing kpt #: 28 total cpu time spent up to now is 50.3 secs Computing kpt #: 29 total cpu time spent up to now is 51.8 secs Computing kpt #: 30 total cpu time spent up to now is 53.2 secs Computing kpt #: 31 total cpu time spent up to now is 54.6 secs Computing kpt #: 32 total cpu time spent up to now is 55.9 secs Computing kpt #: 33 total cpu time spent up to now is 57.4 secs Computing kpt #: 34 total cpu time spent up to now is 58.8 secs Computing kpt #: 35 total cpu time spent up to now is 60.2 secs Computing kpt #: 36 total cpu time spent up to now is 61.7 secs Computing kpt #: 37 total cpu time spent up to now is 63.1 secs Computing kpt #: 38 total cpu time spent up to now is 64.6 secs Computing kpt #: 39 total cpu time spent up to now is 66.0 secs Computing kpt #: 40 total cpu time spent up to now is 67.4 secs Computing kpt #: 41 total cpu time spent up to now is 68.9 secs Computing kpt #: 42 total cpu time spent up to now is 70.3 secs Computing kpt #: 43 total cpu time spent up to now is 71.8 secs Computing kpt #: 44 total cpu time spent up to now is 73.3 secs Computing kpt #: 45 total cpu time spent up to now is 74.7 secs Computing kpt #: 46 total cpu time spent up to now is 76.3 secs Computing kpt #: 47 total cpu time spent up to now is 77.8 secs Computing kpt #: 48 total cpu time spent up to now is 79.4 secs Computing kpt #: 49 total cpu time spent up to now is 80.8 secs Computing kpt #: 50 total cpu time spent up to now is 82.5 secs Computing kpt #: 51 total cpu time spent up to now is 84.1 secs Computing kpt #: 52 total cpu time spent up to now is 85.8 secs Computing kpt #: 53 total cpu time spent up to now is 87.9 secs Computing kpt #: 54 total cpu time spent up to now is 89.6 secs Computing kpt #: 55 total cpu time spent up to now is 91.2 secs Computing kpt #: 56 total cpu time spent up to now is 92.9 secs Computing kpt #: 57 total cpu time spent up to now is 94.3 secs Computing kpt #: 58 total cpu time spent up to now is 95.8 secs Computing kpt #: 59 total cpu time spent up to now is 97.2 secs Computing kpt #: 60 total cpu time spent up to now is 98.6 secs Computing kpt #: 61 total cpu time spent up to now is 100.1 secs Computing kpt #: 62 total cpu time spent up to now is 101.5 secs Computing kpt #: 63 total cpu time spent up to now is 102.9 secs Computing kpt #: 64 total cpu time spent up to now is 104.3 secs Computing kpt #: 65 total cpu time spent up to now is 105.8 secs Computing kpt #: 66 total cpu time spent up to now is 107.2 secs Computing kpt #: 67 total cpu time spent up to now is 108.6 secs Computing kpt #: 68 total cpu time spent up to now is 110.0 secs Computing kpt #: 69 total cpu time spent up to now is 111.7 secs Computing kpt #: 70 total cpu time spent up to now is 113.4 secs Computing kpt #: 71 total cpu time spent up to now is 115.1 secs Computing kpt #: 72 total cpu time spent up to now is 116.8 secs Computing kpt #: 73 total cpu time spent up to now is 118.6 secs Computing kpt #: 74 total cpu time spent up to now is 120.4 secs Computing kpt #: 75 total cpu time spent up to now is 122.0 secs Computing kpt #: 76 total cpu time spent up to now is 123.4 secs Computing kpt #: 77 total cpu time spent up to now is 125.1 secs Computing kpt #: 78 total cpu time spent up to now is 126.7 secs Computing kpt #: 79 total cpu time spent up to now is 128.2 secs Computing kpt #: 80 total cpu time spent up to now is 129.6 secs Computing kpt #: 81 total cpu time spent up to now is 131.2 secs Computing kpt #: 82 total cpu time spent up to now is 132.7 secs Computing kpt #: 83 total cpu time spent up to now is 134.1 secs Computing kpt #: 84 total cpu time spent up to now is 135.7 secs Computing kpt #: 85 total cpu time spent up to now is 137.4 secs Computing kpt #: 86 total cpu time spent up to now is 139.1 secs Computing kpt #: 87 total cpu time spent up to now is 140.7 secs Computing kpt #: 88 total cpu time spent up to now is 142.4 secs Computing kpt #: 89 total cpu time spent up to now is 144.1 secs Computing kpt #: 90 total cpu time spent up to now is 145.8 secs Computing kpt #: 91 total cpu time spent up to now is 147.4 secs Computing kpt #: 92 total cpu time spent up to now is 148.8 secs Computing kpt #: 93 total cpu time spent up to now is 150.2 secs Computing kpt #: 94 total cpu time spent up to now is 151.9 secs Computing kpt #: 95 total cpu time spent up to now is 153.5 secs Computing kpt #: 96 total cpu time spent up to now is 155.1 secs Computing kpt #: 97 total cpu time spent up to now is 156.8 secs Computing kpt #: 98 total cpu time spent up to now is 158.5 secs Computing kpt #: 99 total cpu time spent up to now is 160.1 secs Computing kpt #: 100 total cpu time spent up to now is 161.8 secs Computing kpt #: 101 total cpu time spent up to now is 163.4 secs Computing kpt #: 102 total cpu time spent up to now is 165.1 secs Computing kpt #: 103 total cpu time spent up to now is 166.8 secs Computing kpt #: 104 total cpu time spent up to now is 168.6 secs Computing kpt #: 105 total cpu time spent up to now is 170.4 secs Computing kpt #: 106 total cpu time spent up to now is 172.1 secs Computing kpt #: 107 total cpu time spent up to now is 173.9 secs Computing kpt #: 108 total cpu time spent up to now is 175.6 secs Computing kpt #: 109 total cpu time spent up to now is 177.3 secs Computing kpt #: 110 total cpu time spent up to now is 179.0 secs Computing kpt #: 111 total cpu time spent up to now is 180.6 secs Computing kpt #: 112 total cpu time spent up to now is 182.3 secs Computing kpt #: 113 total cpu time spent up to now is 183.9 secs Computing kpt #: 114 total cpu time spent up to now is 185.6 secs Computing kpt #: 115 total cpu time spent up to now is 187.3 secs Computing kpt #: 116 total cpu time spent up to now is 188.9 secs Computing kpt #: 117 total cpu time spent up to now is 190.6 secs Computing kpt #: 118 total cpu time spent up to now is 192.3 secs Computing kpt #: 119 total cpu time spent up to now is 193.9 secs Computing kpt #: 120 total cpu time spent up to now is 195.6 secs Computing kpt #: 121 total cpu time spent up to now is 197.3 secs Computing kpt #: 122 total cpu time spent up to now is 198.9 secs Computing kpt #: 123 total cpu time spent up to now is 200.6 secs Computing kpt #: 124 total cpu time spent up to now is 202.3 secs Computing kpt #: 125 total cpu time spent up to now is 204.0 secs Computing kpt #: 126 total cpu time spent up to now is 205.8 secs Computing kpt #: 127 total cpu time spent up to now is 207.5 secs Computing kpt #: 128 total cpu time spent up to now is 209.2 secs Computing kpt #: 129 total cpu time spent up to now is 211.0 secs Computing kpt #: 130 total cpu time spent up to now is 213.1 secs Computing kpt #: 131 total cpu time spent up to now is 214.8 secs Computing kpt #: 132 total cpu time spent up to now is 216.6 secs Computing kpt #: 133 total cpu time spent up to now is 218.8 secs Computing kpt #: 134 total cpu time spent up to now is 221.2 secs Computing kpt #: 135 total cpu time spent up to now is 223.9 secs Computing kpt #: 136 total cpu time spent up to now is 226.6 secs Computing kpt #: 137 total cpu time spent up to now is 230.2 secs Computing kpt #: 138 total cpu time spent up to now is 232.9 secs Computing kpt #: 139 total cpu time spent up to now is 235.1 secs Computing kpt #: 140 total cpu time spent up to now is 237.2 secs Computing kpt #: 141 total cpu time spent up to now is 239.1 secs Computing kpt #: 142 total cpu time spent up to now is 240.9 secs Computing kpt #: 143 total cpu time spent up to now is 242.6 secs Computing kpt #: 144 total cpu time spent up to now is 244.3 secs Computing kpt #: 145 total cpu time spent up to now is 246.0 secs Computing kpt #: 146 total cpu time spent up to now is 247.7 secs Computing kpt #: 147 total cpu time spent up to now is 249.3 secs Computing kpt #: 148 total cpu time spent up to now is 251.0 secs Computing kpt #: 149 total cpu time spent up to now is 252.6 secs Computing kpt #: 150 total cpu time spent up to now is 254.3 secs Computing kpt #: 151 total cpu time spent up to now is 255.9 secs Computing kpt #: 152 total cpu time spent up to now is 257.6 secs Computing kpt #: 153 total cpu time spent up to now is 259.0 secs Computing kpt #: 154 total cpu time spent up to now is 260.6 secs Computing kpt #: 155 total cpu time spent up to now is 262.3 secs Computing kpt #: 156 total cpu time spent up to now is 263.7 secs Computing kpt #: 157 total cpu time spent up to now is 265.3 secs Computing kpt #: 158 total cpu time spent up to now is 267.0 secs Computing kpt #: 159 total cpu time spent up to now is 268.6 secs Computing kpt #: 160 total cpu time spent up to now is 270.1 secs Computing kpt #: 161 total cpu time spent up to now is 271.5 secs Computing kpt #: 162 total cpu time spent up to now is 273.1 secs Computing kpt #: 163 total cpu time spent up to now is 274.8 secs Computing kpt #: 164 total cpu time spent up to now is 276.4 secs Computing kpt #: 165 total cpu time spent up to now is 277.9 secs Computing kpt #: 166 total cpu time spent up to now is 279.5 secs Computing kpt #: 167 total cpu time spent up to now is 280.9 secs Computing kpt #: 168 total cpu time spent up to now is 282.4 secs Computing kpt #: 169 total cpu time spent up to now is 284.1 secs Computing kpt #: 170 total cpu time spent up to now is 285.7 secs Computing kpt #: 171 total cpu time spent up to now is 287.4 secs Computing kpt #: 172 total cpu time spent up to now is 289.1 secs Computing kpt #: 173 total cpu time spent up to now is 290.5 secs Computing kpt #: 174 total cpu time spent up to now is 291.9 secs Computing kpt #: 175 total cpu time spent up to now is 293.5 secs Computing kpt #: 176 total cpu time spent up to now is 295.2 secs Computing kpt #: 177 total cpu time spent up to now is 296.9 secs Computing kpt #: 178 total cpu time spent up to now is 298.7 secs Computing kpt #: 179 total cpu time spent up to now is 300.4 secs Computing kpt #: 180 total cpu time spent up to now is 302.0 secs Computing kpt #: 181 total cpu time spent up to now is 303.9 secs Computing kpt #: 182 total cpu time spent up to now is 305.6 secs Computing kpt #: 183 total cpu time spent up to now is 307.0 secs Computing kpt #: 184 total cpu time spent up to now is 308.5 secs Computing kpt #: 185 total cpu time spent up to now is 309.9 secs Computing kpt #: 186 total cpu time spent up to now is 311.4 secs Computing kpt #: 187 total cpu time spent up to now is 312.8 secs Computing kpt #: 188 total cpu time spent up to now is 314.2 secs Computing kpt #: 189 total cpu time spent up to now is 315.7 secs Computing kpt #: 190 total cpu time spent up to now is 317.2 secs Computing kpt #: 191 total cpu time spent up to now is 318.6 secs Computing kpt #: 192 total cpu time spent up to now is 320.1 secs Computing kpt #: 193 total cpu time spent up to now is 321.5 secs Computing kpt #: 194 total cpu time spent up to now is 322.9 secs Computing kpt #: 195 total cpu time spent up to now is 324.3 secs Computing kpt #: 196 total cpu time spent up to now is 325.7 secs Computing kpt #: 197 total cpu time spent up to now is 327.3 secs Computing kpt #: 198 total cpu time spent up to now is 329.0 secs Computing kpt #: 199 total cpu time spent up to now is 330.6 secs Computing kpt #: 200 total cpu time spent up to now is 332.3 secs Computing kpt #: 201 total cpu time spent up to now is 333.9 secs Computing kpt #: 202 total cpu time spent up to now is 335.6 secs Computing kpt #: 203 total cpu time spent up to now is 337.2 secs Computing kpt #: 204 total cpu time spent up to now is 338.9 secs Computing kpt #: 205 total cpu time spent up to now is 340.5 secs Computing kpt #: 206 total cpu time spent up to now is 342.2 secs Computing kpt #: 207 total cpu time spent up to now is 343.8 secs Computing kpt #: 208 total cpu time spent up to now is 345.5 secs Computing kpt #: 209 total cpu time spent up to now is 347.1 secs Computing kpt #: 210 total cpu time spent up to now is 348.8 secs Computing kpt #: 211 total cpu time spent up to now is 350.2 secs Computing kpt #: 212 total cpu time spent up to now is 351.9 secs Computing kpt #: 213 total cpu time spent up to now is 353.3 secs Computing kpt #: 214 total cpu time spent up to now is 355.0 secs Computing kpt #: 215 total cpu time spent up to now is 356.6 secs Computing kpt #: 216 total cpu time spent up to now is 358.3 secs Computing kpt #: 217 total cpu time spent up to now is 360.0 secs Computing kpt #: 218 total cpu time spent up to now is 361.7 secs Computing kpt #: 219 total cpu time spent up to now is 363.4 secs Computing kpt #: 220 total cpu time spent up to now is 365.1 secs Computing kpt #: 221 total cpu time spent up to now is 366.8 secs Computing kpt #: 222 total cpu time spent up to now is 368.5 secs Computing kpt #: 223 total cpu time spent up to now is 370.2 secs Computing kpt #: 224 total cpu time spent up to now is 371.9 secs Computing kpt #: 225 total cpu time spent up to now is 373.7 secs Computing kpt #: 226 total cpu time spent up to now is 375.5 secs Computing kpt #: 227 total cpu time spent up to now is 377.3 secs Computing kpt #: 228 total cpu time spent up to now is 379.1 secs Computing kpt #: 229 total cpu time spent up to now is 380.8 secs Computing kpt #: 230 total cpu time spent up to now is 382.5 secs Computing kpt #: 231 total cpu time spent up to now is 384.1 secs Computing kpt #: 232 total cpu time spent up to now is 385.9 secs Computing kpt #: 233 total cpu time spent up to now is 387.6 secs Computing kpt #: 234 total cpu time spent up to now is 389.3 secs Computing kpt #: 235 total cpu time spent up to now is 391.0 secs Computing kpt #: 236 total cpu time spent up to now is 392.6 secs Computing kpt #: 237 total cpu time spent up to now is 394.3 secs Computing kpt #: 238 total cpu time spent up to now is 395.9 secs Computing kpt #: 239 total cpu time spent up to now is 397.6 secs Computing kpt #: 240 total cpu time spent up to now is 399.2 secs Computing kpt #: 241 total cpu time spent up to now is 400.9 secs Computing kpt #: 242 total cpu time spent up to now is 402.7 secs Computing kpt #: 243 total cpu time spent up to now is 404.5 secs Computing kpt #: 244 total cpu time spent up to now is 406.6 secs Computing kpt #: 245 total cpu time spent up to now is 408.9 secs Computing kpt #: 246 total cpu time spent up to now is 411.0 secs Computing kpt #: 247 total cpu time spent up to now is 412.8 secs Computing kpt #: 248 total cpu time spent up to now is 414.5 secs Computing kpt #: 249 total cpu time spent up to now is 416.2 secs Computing kpt #: 250 total cpu time spent up to now is 418.4 secs Computing kpt #: 251 total cpu time spent up to now is 420.6 secs Computing kpt #: 252 total cpu time spent up to now is 422.8 secs Computing kpt #: 253 total cpu time spent up to now is 425.0 secs Computing kpt #: 254 total cpu time spent up to now is 426.8 secs Computing kpt #: 255 total cpu time spent up to now is 428.2 secs Computing kpt #: 256 total cpu time spent up to now is 429.7 secs Computing kpt #: 257 total cpu time spent up to now is 431.1 secs Computing kpt #: 258 total cpu time spent up to now is 432.7 secs Computing kpt #: 259 total cpu time spent up to now is 434.4 secs Computing kpt #: 260 total cpu time spent up to now is 436.1 secs Computing kpt #: 261 total cpu time spent up to now is 437.7 secs Computing kpt #: 262 total cpu time spent up to now is 439.3 secs Computing kpt #: 263 total cpu time spent up to now is 441.0 secs Computing kpt #: 264 total cpu time spent up to now is 442.7 secs ethr = 2.00E-08, avg # of iterations = 24.7 total cpu time spent up to now is 442.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6691 PWs) bands (ev): -20.8516 -20.8516 -20.8223 -20.8223 -20.7312 -20.7312 -20.4888 -20.4888 -7.6156 -7.6156 -7.5057 -7.5057 -7.4922 -7.4922 -7.1013 -7.1013 -5.9028 -5.9028 -5.5644 -5.5644 -5.5338 -5.5338 -5.4720 -5.4720 -5.4122 -5.4122 -5.2775 -5.2775 -5.0790 -5.0790 -4.7577 -4.7577 -0.9574 -0.9574 -0.4894 -0.4894 4.9131 4.9131 6.0793 6.0793 6.2875 6.2875 6.3730 6.3730 6.3903 6.3903 6.9053 6.9053 7.0741 7.0741 7.9024 7.9024 8.0490 8.0490 8.3473 8.3473 8.5448 8.5448 8.6415 8.6415 k = 0.0000 0.0000 0.0313 ( 6691 PWs) bands (ev): -20.8515 -20.8515 -20.8223 -20.8223 -20.7311 -20.7311 -20.4890 -20.4890 -7.6153 -7.6153 -7.5058 -7.5058 -7.4922 -7.4922 -7.1016 -7.1016 -5.9023 -5.9023 -5.5647 -5.5647 -5.5338 -5.5338 -5.4720 -5.4720 -5.4121 -5.4121 -5.2775 -5.2775 -5.0793 -5.0793 -4.7587 -4.7587 -0.9562 -0.9562 -0.4893 -0.4893 4.9148 4.9148 6.0773 6.0773 6.2894 6.2894 6.3607 6.3607 6.4000 6.4000 6.9013 6.9013 7.0669 7.0669 7.9061 7.9061 8.0484 8.0484 8.3543 8.3543 8.5451 8.5451 8.6414 8.6414 k = 0.0000 0.0000 0.0626 ( 6707 PWs) bands (ev): -20.8514 -20.8514 -20.8223 -20.8223 -20.7307 -20.7307 -20.4895 -20.4895 -7.6143 -7.6143 -7.5059 -7.5059 -7.4923 -7.4923 -7.1024 -7.1024 -5.9008 -5.9008 -5.5656 -5.5656 -5.5336 -5.5336 -5.4721 -5.4721 -5.4121 -5.4121 -5.2775 -5.2775 -5.0804 -5.0804 -4.7617 -4.7617 -0.9528 -0.9528 -0.4889 -0.4889 4.9199 4.9199 6.0711 6.0711 6.2950 6.2950 6.3415 6.3415 6.4115 6.4115 6.8895 6.8895 7.0459 7.0459 7.9167 7.9167 8.0468 8.0468 8.3750 8.3750 8.5458 8.5458 8.6386 8.6386 k = 0.0000 0.0000 0.0939 ( 6715 PWs) bands (ev): -20.8511 -20.8511 -20.8223 -20.8223 -20.7300 -20.7300 -20.4904 -20.4904 -7.6127 -7.6127 -7.5061 -7.5061 -7.4923 -7.4923 -7.1039 -7.1039 -5.8983 -5.8983 -5.5672 -5.5672 -5.5333 -5.5333 -5.4722 -5.4722 -5.4120 -5.4120 -5.2774 -5.2774 -5.0821 -5.0821 -4.7666 -4.7666 -0.9472 -0.9472 -0.4881 -0.4881 4.9284 4.9284 6.0606 6.0606 6.3021 6.3021 6.3235 6.3235 6.4188 6.4188 6.8710 6.8710 7.0135 7.0135 7.9338 7.9338 8.0445 8.0445 8.4085 8.4085 8.5470 8.5470 8.6282 8.6282 k = 0.0000 0.0000 0.1253 ( 6723 PWs) bands (ev): -20.8508 -20.8508 -20.8224 -20.8224 -20.7290 -20.7290 -20.4916 -20.4916 -7.6104 -7.6104 -7.5064 -7.5064 -7.4923 -7.4923 -7.1059 -7.1059 -5.8949 -5.8949 -5.5693 -5.5693 -5.5329 -5.5329 -5.4724 -5.4724 -5.4118 -5.4118 -5.2773 -5.2773 -5.0846 -5.0846 -4.7733 -4.7733 -0.9393 -0.9393 -0.4872 -0.4872 4.9402 4.9402 6.0456 6.0456 6.2954 6.2954 6.3218 6.3218 6.4213 6.4213 6.8470 6.8470 6.9727 6.9727 7.9565 7.9565 8.0420 8.0420 8.4534 8.4534 8.5485 8.5485 8.6090 8.6090 k = 0.0000 0.0000 0.1566 ( 6729 PWs) bands (ev): -20.8504 -20.8504 -20.8224 -20.8224 -20.7278 -20.7278 -20.4931 -20.4931 -7.6076 -7.6076 -7.5067 -7.5067 -7.4924 -7.4924 -7.1085 -7.1085 -5.8904 -5.8904 -5.5720 -5.5720 -5.5324 -5.5324 -5.4726 -5.4726 -5.4116 -5.4116 -5.2772 -5.2772 -5.0880 -5.0880 -4.7815 -4.7815 -0.9294 -0.9294 -0.4861 -0.4861 4.9552 4.9552 6.0260 6.0260 6.2774 6.2774 6.3317 6.3317 6.4205 6.4205 6.8193 6.8193 6.9268 6.9268 7.9841 7.9841 8.0401 8.0401 8.5084 8.5084 8.5500 8.5500 8.5843 8.5843 k = 0.0000 0.0000 0.1879 ( 6731 PWs) bands (ev): -20.8499 -20.8499 -20.8225 -20.8225 -20.7263 -20.7263 -20.4949 -20.4949 -7.6043 -7.6043 -7.5071 -7.5071 -7.4925 -7.4925 -7.1117 -7.1117 -5.8850 -5.8850 -5.5753 -5.5753 -5.5319 -5.5319 -5.4729 -5.4729 -5.4114 -5.4114 -5.2769 -5.2769 -5.0924 -5.0924 -4.7910 -4.7910 -0.9175 -0.9175 -0.4849 -0.4849 4.9734 4.9734 6.0024 6.0024 6.2580 6.2580 6.3371 6.3371 6.4213 6.4213 6.7895 6.7895 6.8790 6.8790 8.0161 8.0161 8.0391 8.0391 8.5470 8.5470 8.5599 8.5599 8.5739 8.5739 k = 0.0000 0.0000 0.2192 ( 6743 PWs) bands (ev): -20.8494 -20.8494 -20.8226 -20.8226 -20.7246 -20.7246 -20.4970 -20.4970 -7.6005 -7.6005 -7.5076 -7.5076 -7.4926 -7.4926 -7.1156 -7.1156 -5.8787 -5.8787 -5.5791 -5.5791 -5.5312 -5.5312 -5.4732 -5.4732 -5.4111 -5.4111 -5.2765 -5.2765 -5.0979 -5.0979 -4.8013 -4.8013 -0.9038 -0.9038 -0.4836 -0.4836 4.9944 4.9944 5.9753 5.9753 6.2361 6.2361 6.3313 6.3313 6.4297 6.4297 6.7595 6.7595 6.8318 6.8318 8.0396 8.0396 8.0522 8.0522 8.5234 8.5234 8.5589 8.5589 8.6440 8.6440 k = 0.0000 0.0000 0.2505 ( 6743 PWs) bands (ev): -20.8487 -20.8487 -20.8227 -20.8227 -20.7225 -20.7225 -20.4995 -20.4995 -7.5963 -7.5963 -7.5080 -7.5080 -7.4927 -7.4927 -7.1200 -7.1200 -5.8715 -5.8715 -5.5833 -5.5833 -5.5305 -5.5305 -5.4736 -5.4736 -5.4108 -5.4108 -5.2759 -5.2759 -5.1045 -5.1045 -4.8123 -4.8123 -0.8884 -0.8884 -0.4824 -0.4824 5.0184 5.0184 5.9459 5.9459 6.2087 6.2087 6.3171 6.3171 6.4438 6.4438 6.7321 6.7321 6.7872 6.7872 8.0421 8.0421 8.0920 8.0920 8.4953 8.4953 8.5625 8.5625 8.7214 8.7214 k = 0.0000 0.0000 0.2818 ( 6727 PWs) bands (ev): -20.8480 -20.8480 -20.8227 -20.8227 -20.7203 -20.7203 -20.5022 -20.5022 -7.5917 -7.5917 -7.5085 -7.5085 -7.4929 -7.4929 -7.1252 -7.1252 -5.8634 -5.8634 -5.5881 -5.5881 -5.5296 -5.5296 -5.4741 -5.4741 -5.4105 -5.4105 -5.2750 -5.2750 -5.1126 -5.1126 -4.8234 -4.8234 -0.8716 -0.8716 -0.4814 -0.4814 5.0449 5.0449 5.9150 5.9150 6.1724 6.1724 6.3019 6.3019 6.4553 6.4553 6.7121 6.7121 6.7461 6.7461 8.0467 8.0467 8.1352 8.1352 8.4678 8.4678 8.5676 8.5676 8.8040 8.8040 k = 0.0000 0.0000 0.3132 ( 6731 PWs) bands (ev): -20.8473 -20.8473 -20.8228 -20.8228 -20.7178 -20.7178 -20.5052 -20.5052 -7.5869 -7.5869 -7.5089 -7.5089 -7.4931 -7.4931 -7.1310 -7.1310 -5.8546 -5.8546 -5.5933 -5.5933 -5.5287 -5.5287 -5.4745 -5.4745 -5.4102 -5.4102 -5.2738 -5.2738 -5.1221 -5.1221 -4.8343 -4.8343 -0.8534 -0.8534 -0.4806 -0.4806 5.0740 5.0740 5.8838 5.8838 6.1270 6.1270 6.2897 6.2897 6.4556 6.4556 6.7030 6.7030 6.7117 6.7117 8.0537 8.0537 8.1813 8.1813 8.4412 8.4412 8.5743 8.5743 8.8909 8.8909 k = 0.0000 0.0000 0.3445 ( 6737 PWs) bands (ev): -20.8465 -20.8465 -20.8230 -20.8230 -20.7150 -20.7150 -20.5084 -20.5084 -7.5820 -7.5820 -7.5093 -7.5093 -7.4933 -7.4933 -7.1375 -7.1375 -5.8451 -5.8451 -5.5990 -5.5990 -5.5277 -5.5277 -5.4749 -5.4749 -5.4098 -5.4098 -5.2722 -5.2722 -5.1332 -5.1332 -4.8447 -4.8447 -0.8341 -0.8341 -0.4802 -0.4802 5.1053 5.1053 5.8530 5.8530 6.0746 6.0746 6.2809 6.2809 6.4398 6.4398 6.6701 6.6701 6.7222 6.7222 8.0633 8.0633 8.2298 8.2298 8.4154 8.4154 8.5827 8.5827 8.9812 8.9812 k = 0.0000 0.0000 0.3758 ( 6729 PWs) bands (ev): -20.8457 -20.8457 -20.8231 -20.8231 -20.7120 -20.7120 -20.5119 -20.5119 -7.5769 -7.5769 -7.5097 -7.5097 -7.4936 -7.4936 -7.1448 -7.1448 -5.8349 -5.8349 -5.6051 -5.6051 -5.5266 -5.5266 -5.4753 -5.4753 -5.4095 -5.4095 -5.2702 -5.2702 -5.1458 -5.1458 -4.8542 -4.8542 -0.8140 -0.8140 -0.4802 -0.4802 5.1387 5.1387 5.8236 5.8236 6.0181 6.0181 6.2746 6.2746 6.4108 6.4108 6.6346 6.6346 6.7530 6.7530 8.0753 8.0753 8.2798 8.2798 8.3900 8.3900 8.5933 8.5933 9.0738 9.0738 k = 0.0000 0.0000 0.4071 ( 6719 PWs) bands (ev): -20.8448 -20.8448 -20.8232 -20.8232 -20.7089 -20.7089 -20.5155 -20.5155 -7.5718 -7.5718 -7.5101 -7.5101 -7.4939 -7.4939 -7.1528 -7.1528 -5.8243 -5.8243 -5.6116 -5.6116 -5.5254 -5.5254 -5.4755 -5.4755 -5.4093 -5.4093 -5.2677 -5.2677 -5.1598 -5.1598 -4.8626 -4.8626 -0.7931 -0.7931 -0.4808 -0.4808 5.1740 5.1740 5.7961 5.7961 5.9599 5.9599 6.2698 6.2698 6.3738 6.3738 6.5992 6.5992 6.7957 6.7957 8.0897 8.0897 8.3288 8.3288 8.3659 8.3659 8.6068 8.6068 9.1677 9.1677 k = 0.0000 0.0000 0.4384 ( 6728 PWs) bands (ev): -20.8439 -20.8439 -20.8233 -20.8233 -20.7055 -20.7055 -20.5194 -20.5194 -7.5668 -7.5668 -7.5104 -7.5104 -7.4941 -7.4941 -7.1615 -7.1615 -5.8134 -5.8134 -5.6185 -5.6185 -5.5241 -5.5241 -5.4756 -5.4756 -5.4090 -5.4090 -5.2647 -5.2647 -5.1750 -5.1750 -4.8698 -4.8698 -0.7718 -0.7718 -0.4821 -0.4821 5.2108 5.2108 5.7712 5.7712 5.9018 5.9018 6.2654 6.2654 6.3335 6.3335 6.5638 6.5638 6.8460 6.8460 8.1064 8.1064 8.3340 8.3340 8.3838 8.3838 8.6239 8.6239 9.2614 9.2614 k = 0.0000 0.0000 0.4697 ( 6718 PWs) bands (ev): -20.8430 -20.8430 -20.8235 -20.8235 -20.7019 -20.7019 -20.5234 -20.5234 -7.5620 -7.5620 -7.5106 -7.5106 -7.4944 -7.4944 -7.1709 -7.1709 -5.8023 -5.8023 -5.6258 -5.6258 -5.5227 -5.5227 -5.4755 -5.4755 -5.4089 -5.4089 -5.2613 -5.2613 -5.1910 -5.1910 -4.8757 -4.8757 -0.7503 -0.7503 -0.4842 -0.4842 5.2489 5.2489 5.7493 5.7493 5.8456 5.8456 6.2580 6.2580 6.2951 6.2951 6.5282 6.5282 6.9017 6.9017 8.1251 8.1251 8.3068 8.3068 8.4304 8.4304 8.6456 8.6456 9.3525 9.3525 k = 0.0000 0.0000 0.5011 ( 6712 PWs) bands (ev): -20.8421 -20.8421 -20.8236 -20.8236 -20.6982 -20.6982 -20.5276 -20.5276 -7.5574 -7.5574 -7.5107 -7.5107 -7.4946 -7.4946 -7.1811 -7.1811 -5.7912 -5.7912 -5.6333 -5.6333 -5.5212 -5.5212 -5.4751 -5.4751 -5.4087 -5.4087 -5.2580 -5.2580 -5.2068 -5.2068 -4.8804 -4.8804 -0.7287 -0.7287 -0.4871 -0.4871 5.2880 5.2880 5.7300 5.7300 5.7930 5.7930 6.2335 6.2335 6.2739 6.2739 6.4927 6.4927 6.9611 6.9611 8.1457 8.1457 8.2770 8.2770 8.4738 8.4738 8.6726 8.6726 9.4388 9.4388 k = 0.0000 0.0000 0.5324 ( 6724 PWs) bands (ev): -20.8412 -20.8412 -20.8238 -20.8238 -20.6943 -20.6943 -20.5319 -20.5319 -7.5531 -7.5531 -7.5108 -7.5108 -7.4947 -7.4947 -7.1920 -7.1920 -5.7804 -5.7804 -5.6411 -5.6411 -5.5197 -5.5197 -5.4746 -5.4746 -5.4087 -5.4087 -5.2568 -5.2568 -5.2200 -5.2200 -4.8839 -4.8839 -0.7073 -0.7073 -0.4909 -0.4909 5.3277 5.3277 5.7099 5.7099 5.7491 5.7491 6.1937 6.1937 6.2683 6.2683 6.4575 6.4575 7.0233 7.0233 8.1676 8.1676 8.2452 8.2452 8.5120 8.5120 8.7049 8.7049 9.5205 9.5205 k = 0.0000 0.0000 0.5637 ( 6738 PWs) bands (ev): -20.8403 -20.8403 -20.8239 -20.8239 -20.6903 -20.6903 -20.5363 -20.5363 -7.5492 -7.5492 -7.5107 -7.5107 -7.4948 -7.4948 -7.2036 -7.2036 -5.7700 -5.7700 -5.6490 -5.6490 -5.5181 -5.5181 -5.4738 -5.4738 -5.4086 -5.4086 -5.2627 -5.2627 -5.2251 -5.2251 -4.8863 -4.8863 -0.6862 -0.6862 -0.4956 -0.4956 5.3675 5.3675 5.6779 5.6779 5.7260 5.7260 6.1516 6.1516 6.2657 6.2657 6.4231 6.4231 7.0875 7.0875 8.1890 8.1890 8.2132 8.2132 8.5451 8.5451 8.7415 8.7415 9.5995 9.5995 k = 0.0000 0.0000 0.5950 ( 6732 PWs) bands (ev): -20.8394 -20.8394 -20.8241 -20.8241 -20.6861 -20.6861 -20.5408 -20.5408 -7.5458 -7.5458 -7.5105 -7.5105 -7.4949 -7.4949 -7.2159 -7.2159 -5.7604 -5.7604 -5.6570 -5.6570 -5.5165 -5.5165 -5.4728 -5.4728 -5.4086 -5.4086 -5.2763 -5.2763 -5.2212 -5.2212 -4.8877 -4.8877 -0.6657 -0.6657 -0.5014 -0.5014 5.4069 5.4069 5.6385 5.6385 5.7202 5.7202 6.1098 6.1098 6.2632 6.2632 6.3900 6.3900 7.1532 7.1532 8.1730 8.1730 8.2176 8.2176 8.5738 8.5738 8.7800 8.7800 9.6766 9.6766 k = 0.0000 0.0000 0.6263 ( 6734 PWs) bands (ev): -20.8385 -20.8385 -20.8243 -20.8243 -20.6819 -20.6819 -20.5453 -20.5453 -7.5428 -7.5428 -7.5103 -7.5103 -7.4948 -7.4948 -7.2288 -7.2288 -5.7517 -5.7517 -5.6649 -5.6649 -5.5150 -5.5150 -5.4717 -5.4717 -5.4087 -5.4087 -5.2928 -5.2928 -5.2126 -5.2126 -4.8883 -4.8883 -0.6460 -0.6460 -0.5081 -0.5081 5.4450 5.4450 5.6011 5.6011 5.7235 5.7235 6.0689 6.0689 6.2592 6.2592 6.3596 6.3596 7.2197 7.2197 8.1362 8.1362 8.2417 8.2417 8.5994 8.5994 8.8179 8.8179 9.7504 9.7504 k = 0.0000 0.0000 0.6576 ( 6740 PWs) bands (ev): -20.8376 -20.8376 -20.8244 -20.8244 -20.6776 -20.6776 -20.5499 -20.5499 -7.5404 -7.5404 -7.5100 -7.5100 -7.4945 -7.4945 -7.2423 -7.2423 -5.7443 -5.7443 -5.6723 -5.6723 -5.5134 -5.5134 -5.4705 -5.4705 -5.4088 -5.4088 -5.3098 -5.3098 -5.2013 -5.2013 -4.8881 -4.8881 -0.6271 -0.6271 -0.5158 -0.5158 5.4806 5.4806 5.5688 5.5688 5.7344 5.7344 6.0293 6.0293 6.2514 6.2514 6.3342 6.3342 7.2866 7.2866 8.0974 8.0974 8.2665 8.2665 8.6225 8.6225 8.8533 8.8533 9.8146 9.8146 k = 0.0000 0.0000 0.6889 ( 6714 PWs) bands (ev): -20.8367 -20.8367 -20.8246 -20.8246 -20.6733 -20.6733 -20.5544 -20.5544 -7.5383 -7.5383 -7.5096 -7.5096 -7.4942 -7.4942 -7.2563 -7.2563 -5.7386 -5.7386 -5.6790 -5.6790 -5.5118 -5.5118 -5.4695 -5.4695 -5.4090 -5.4090 -5.3266 -5.3266 -5.1878 -5.1878 -4.8873 -4.8873 -0.6093 -0.6093 -0.5245 -0.5245 5.5066 5.5066 5.5487 5.5487 5.7523 5.7523 5.9912 5.9912 6.2368 6.2368 6.3168 6.3168 7.3532 7.3532 8.0576 8.0576 8.2913 8.2913 8.6436 8.6436 8.8851 8.8851 9.8547 9.8547 k = 0.0000 0.0000 0.7203 ( 6724 PWs) bands (ev): -20.8359 -20.8359 -20.8247 -20.8247 -20.6690 -20.6690 -20.5590 -20.5590 -7.5368 -7.5368 -7.5092 -7.5092 -7.4938 -7.4938 -7.2708 -7.2708 -5.7352 -5.7352 -5.6844 -5.6844 -5.5102 -5.5102 -5.4686 -5.4686 -5.4093 -5.4093 -5.3424 -5.3424 -5.1725 -5.1725 -4.8860 -4.8860 -0.5927 -0.5927 -0.5338 -0.5338 5.5005 5.5005 5.5635 5.5635 5.7766 5.7766 5.9552 5.9552 6.2149 6.2149 6.3080 6.3080 7.4189 7.4189 8.0169 8.0169 8.3156 8.3156 8.6622 8.6622 8.9132 8.9132 9.8572 9.8572 k = 0.0000 0.0000 0.7516 ( 6732 PWs) bands (ev): -20.8351 -20.8351 -20.8249 -20.8249 -20.6646 -20.6646 -20.5635 -20.5635 -7.5356 -7.5356 -7.5088 -7.5088 -7.4934 -7.4934 -7.2856 -7.2856 -5.7346 -5.7346 -5.6878 -5.6878 -5.5086 -5.5086 -5.4681 -5.4681 -5.4100 -5.4100 -5.3570 -5.3570 -5.1554 -5.1554 -4.8842 -4.8842 -0.5779 -0.5779 -0.5435 -0.5435 5.4828 5.4828 5.5935 5.5935 5.8055 5.8055 5.9224 5.9224 6.1886 6.1886 6.3050 6.3050 7.4831 7.4831 7.9759 7.9759 8.3392 8.3392 8.6779 8.6779 8.9383 8.9383 9.8208 9.8209 k = 0.0000 0.0000 0.7829 ( 6728 PWs) bands (ev): -20.8343 -20.8343 -20.8251 -20.8251 -20.6603 -20.6603 -20.5679 -20.5679 -7.5347 -7.5347 -7.5085 -7.5085 -7.4929 -7.4929 -7.3006 -7.3006 -5.7368 -5.7368 -5.6891 -5.6891 -5.5070 -5.5070 -5.4680 -5.4680 -5.4113 -5.4113 -5.3699 -5.3699 -5.1368 -5.1368 -4.8820 -4.8820 -0.5675 -0.5675 -0.5506 -0.5506 5.4670 5.4670 5.6252 5.6252 5.8327 5.8327 5.8982 5.8982 6.1605 6.1605 6.3052 6.3052 7.5450 7.5450 7.9349 7.9349 8.3618 8.3618 8.6898 8.6898 8.9622 8.9622 9.7537 9.7537 k = 0.0000 0.0000 0.8142 ( 6712 PWs) bands (ev): -20.8335 -20.8335 -20.8252 -20.8252 -20.6561 -20.6561 -20.5723 -20.5723 -7.5341 -7.5341 -7.5082 -7.5082 -7.4924 -7.4924 -7.3157 -7.3157 -5.7412 -5.7412 -5.6888 -5.6888 -5.5055 -5.5055 -5.4686 -5.4686 -5.4136 -5.4136 -5.3804 -5.3804 -5.1168 -5.1168 -4.8795 -4.8795 -0.5716 -0.5716 -0.5453 -0.5453 5.4549 5.4549 5.6575 5.6575 5.8346 5.8346 5.9053 5.9053 6.1323 6.1323 6.3072 6.3072 7.6038 7.6038 7.8941 7.8941 8.3830 8.3830 8.6975 8.6975 8.9865 8.9865 9.6666 9.6666 k = 0.0000 0.0000 0.8455 ( 6720 PWs) bands (ev): -20.8328 -20.8328 -20.8254 -20.8254 -20.6519 -20.6519 -20.5765 -20.5765 -7.5337 -7.5337 -7.5078 -7.5078 -7.4921 -7.4921 -7.3309 -7.3309 -5.7470 -5.7470 -5.6875 -5.6875 -5.5040 -5.5040 -5.4700 -5.4700 -5.4175 -5.4175 -5.3879 -5.3879 -5.0958 -5.0958 -4.8768 -4.8768 -0.5826 -0.5826 -0.5347 -0.5347 5.4463 5.4463 5.6900 5.6900 5.8137 5.8137 5.9406 5.9406 6.1046 6.1046 6.3104 6.3104 7.6585 7.6585 7.8538 7.8538 8.4029 8.4029 8.7015 8.7015 9.0126 9.0126 9.5686 9.5686 k = 0.0000 0.0000 0.8768 ( 6708 PWs) bands (ev): -20.8321 -20.8321 -20.8255 -20.8255 -20.6479 -20.6479 -20.5806 -20.5806 -7.5335 -7.5335 -7.5076 -7.5076 -7.4918 -7.4918 -7.3459 -7.3459 -5.7535 -5.7535 -5.6859 -5.6859 -5.5025 -5.5025 -5.4722 -5.4722 -5.4227 -5.4227 -5.3923 -5.3923 -5.0740 -5.0740 -4.8740 -4.8740 -0.5950 -0.5950 -0.5244 -0.5244 5.4411 5.4411 5.7201 5.7201 5.7931 5.7931 5.9828 5.9828 6.0782 6.0782 6.3144 6.3144 7.7082 7.7082 7.8143 7.8143 8.4211 8.4211 8.7028 8.7028 9.0410 9.0410 9.4659 9.4659 k = 0.0000 0.0000 0.9082 ( 6706 PWs) bands (ev): -20.8314 -20.8314 -20.8256 -20.8256 -20.6440 -20.6440 -20.5845 -20.5845 -7.5334 -7.5334 -7.5073 -7.5073 -7.4918 -7.4918 -7.3606 -7.3606 -5.7602 -5.7602 -5.6842 -5.6842 -5.5012 -5.5012 -5.4754 -5.4754 -5.4283 -5.4283 -5.3947 -5.3947 -5.0516 -5.0516 -4.8710 -4.8710 -0.6078 -0.6078 -0.5151 -0.5151 5.4389 5.4389 5.7343 5.7343 5.7905 5.7905 6.0236 6.0236 6.0567 6.0567 6.3192 6.3192 7.7520 7.7520 7.7757 7.7757 8.4378 8.4378 8.7034 8.7034 9.0716 9.0716 9.3628 9.3628 k = 0.0000 0.0000 0.9395 ( 6716 PWs) bands (ev): -20.8308 -20.8308 -20.8258 -20.8258 -20.6402 -20.6402 -20.5883 -20.5883 -7.5334 -7.5334 -7.5071 -7.5071 -7.4918 -7.4918 -7.3749 -7.3749 -5.7668 -5.7668 -5.6827 -5.6827 -5.5002 -5.5002 -5.4793 -5.4793 -5.4334 -5.4334 -5.3959 -5.3959 -5.0291 -5.0291 -4.8680 -4.8680 -0.6207 -0.6207 -0.5069 -0.5069 5.4391 5.4391 5.7228 5.7228 5.8166 5.8166 6.0224 6.0224 6.0793 6.0793 6.3245 6.3245 7.7382 7.7382 7.7891 7.7891 8.4527 8.4527 8.7054 8.7054 9.1036 9.1036 9.2617 9.2617 k = 0.0000 0.0000 0.9708 ( 6708 PWs) bands (ev): -20.8302 -20.8302 -20.8259 -20.8259 -20.6366 -20.6366 -20.5918 -20.5918 -7.5335 -7.5335 -7.5069 -7.5069 -7.4921 -7.4921 -7.3886 -7.3886 -5.7732 -5.7732 -5.6812 -5.6812 -5.4997 -5.4997 -5.4835 -5.4835 -5.4376 -5.4376 -5.3965 -5.3965 -5.0066 -5.0066 -4.8650 -4.8650 -0.6336 -0.6336 -0.4998 -0.4998 5.4410 5.4410 5.7048 5.7048 5.8522 5.8522 6.0009 6.0009 6.1239 6.1239 6.3304 6.3304 7.7021 7.7021 7.8190 7.8190 8.4661 8.4661 8.7105 8.7105 9.1356 9.1356 9.1648 9.1648 k = 0.0000 0.0000 1.0021 ( 6720 PWs) bands (ev): -20.8297 -20.8297 -20.8260 -20.8260 -20.6332 -20.6332 -20.5952 -20.5952 -7.5336 -7.5336 -7.5068 -7.5068 -7.4926 -7.4926 -7.4016 -7.4016 -5.7792 -5.7792 -5.6799 -5.6799 -5.5005 -5.5005 -5.4869 -5.4869 -5.4410 -5.4410 -5.3967 -5.3967 -4.9847 -4.9847 -4.8621 -4.8621 -0.6462 -0.6462 -0.4937 -0.4937 5.4440 5.4440 5.6876 5.6876 5.8900 5.8900 5.9796 5.9796 6.1692 6.1692 6.3369 6.3369 7.6673 7.6673 7.8415 7.8415 8.4778 8.4778 8.7201 8.7201 9.0727 9.0727 9.1669 9.1669 k = 0.0000 0.0000 1.0334 ( 6720 PWs) bands (ev): -20.8292 -20.8292 -20.8261 -20.8261 -20.6300 -20.6300 -20.5983 -20.5983 -7.5338 -7.5338 -7.5069 -7.5069 -7.4932 -7.4932 -7.4136 -7.4136 -5.7848 -5.7848 -5.6787 -5.6787 -5.5032 -5.5032 -5.4886 -5.4886 -5.4437 -5.4437 -5.3968 -5.3968 -4.9635 -4.9635 -4.8592 -4.8592 -0.6584 -0.6584 -0.4885 -0.4885 5.4473 5.4473 5.6729 5.6729 5.9279 5.9279 5.9597 5.9597 6.2137 6.2137 6.3438 6.3438 7.6342 7.6342 7.8570 7.8570 8.4881 8.4881 8.7347 8.7347 8.9870 8.9870 9.1955 9.1955 k = 0.0000 0.0000 1.0647 ( 6716 PWs) bands (ev): -20.8288 -20.8288 -20.8262 -20.8262 -20.6271 -20.6271 -20.6011 -20.6011 -7.5340 -7.5340 -7.5070 -7.5070 -7.4939 -7.4939 -7.4246 -7.4246 -5.7900 -5.7900 -5.6777 -5.6777 -5.5075 -5.5075 -5.4887 -5.4887 -5.4460 -5.4460 -5.3968 -5.3968 -4.9434 -4.9434 -4.8564 -4.8564 -0.6700 -0.6700 -0.4842 -0.4842 5.4500 5.4500 5.6614 5.6614 5.9416 5.9416 5.9647 5.9647 6.2567 6.2567 6.3512 6.3512 7.6027 7.6027 7.8666 7.8666 8.4970 8.4970 8.7542 8.7542 8.9081 8.9081 9.2204 9.2204 k = 0.0000 0.0000 1.0960 ( 6720 PWs) bands (ev): -20.8284 -20.8284 -20.8263 -20.8263 -20.6244 -20.6244 -20.6037 -20.6037 -7.5342 -7.5342 -7.5074 -7.5074 -7.4947 -7.4947 -7.4345 -7.4345 -5.7946 -5.7946 -5.6768 -5.6768 -5.5122 -5.5122 -5.4881 -5.4881 -5.4478 -5.4478 -5.3967 -5.3967 -4.9246 -4.9246 -4.8538 -4.8538 -0.6808 -0.6808 -0.4806 -0.4806 5.4517 5.4517 5.6534 5.6534 5.9253 5.9253 5.9995 5.9995 6.2976 6.2976 6.3591 6.3591 7.5732 7.5732 7.8714 7.8714 8.5047 8.5047 8.7779 8.7779 8.8365 8.8365 9.2405 9.2405 k = 0.0000 0.0000 1.1274 ( 6710 PWs) bands (ev): -20.8280 -20.8280 -20.8264 -20.8264 -20.6220 -20.6220 -20.6061 -20.6061 -7.5345 -7.5345 -7.5081 -7.5081 -7.4954 -7.4954 -7.4430 -7.4430 -5.7987 -5.7987 -5.6760 -5.6760 -5.5169 -5.5169 -5.4872 -5.4872 -5.4494 -5.4494 -5.3967 -5.3967 -4.9075 -4.9075 -4.8513 -4.8513 -0.6907 -0.6907 -0.4777 -0.4777 5.4520 5.4520 5.6488 5.6488 5.9109 5.9109 6.0314 6.0314 6.3357 6.3357 6.3674 6.3674 7.5458 7.5458 7.8727 7.8727 8.5112 8.5112 8.7727 8.7727 8.8047 8.8047 9.2551 9.2551 k = 0.0000 0.0000 1.1587 ( 6708 PWs) bands (ev): -20.8277 -20.8277 -20.8265 -20.8265 -20.6199 -20.6199 -20.6081 -20.6081 -7.5347 -7.5347 -7.5091 -7.5091 -7.4961 -7.4961 -7.4502 -7.4502 -5.8023 -5.8023 -5.6753 -5.6753 -5.5211 -5.5211 -5.4862 -5.4862 -5.4508 -5.4508 -5.3966 -5.3966 -4.8924 -4.8924 -4.8489 -4.8489 -0.6996 -0.6996 -0.4754 -0.4754 5.4509 5.4509 5.6472 5.6472 5.8985 5.8985 6.0597 6.0597 6.3685 6.3685 6.3781 6.3781 7.5207 7.5207 7.8719 7.8719 8.5166 8.5166 8.7169 8.7169 8.8333 8.8333 9.2639 9.2639 k = 0.0000 0.0000 1.1900 ( 6712 PWs) bands (ev): -20.8274 -20.8274 -20.8266 -20.8266 -20.6181 -20.6181 -20.6099 -20.6099 -7.5350 -7.5350 -7.5105 -7.5105 -7.4965 -7.4965 -7.4560 -7.4560 -5.8053 -5.8053 -5.6746 -5.6746 -5.5249 -5.5249 -5.4853 -5.4853 -5.4519 -5.4519 -5.3965 -5.3965 -4.8794 -4.8794 -4.8467 -4.8467 -0.7073 -0.7073 -0.4736 -0.4736 5.4487 5.4487 5.6478 5.6478 5.8882 5.8882 6.0838 6.0838 6.3817 6.3817 6.4046 6.4046 7.4984 7.4984 7.8700 7.8700 8.5210 8.5210 8.6693 8.6693 8.8624 8.8624 9.2671 9.2671 k = 0.0000 0.0000 1.2213 ( 6714 PWs) bands (ev): -20.8272 -20.8272 -20.8266 -20.8266 -20.6166 -20.6166 -20.6113 -20.6113 -7.5353 -7.5353 -7.5120 -7.5120 -7.4968 -7.4968 -7.4606 -7.4606 -5.8078 -5.8078 -5.6741 -5.6741 -5.5280 -5.5280 -5.4845 -5.4845 -5.4529 -5.4529 -5.3964 -5.3964 -4.8689 -4.8689 -4.8444 -4.8444 -0.7138 -0.7138 -0.4723 -0.4723 5.4460 5.4460 5.6496 5.6496 5.8799 5.8799 6.1035 6.1035 6.3894 6.3894 6.4316 6.4316 7.4792 7.4792 7.8677 7.8677 8.5246 8.5246 8.6302 8.6302 8.8902 8.8902 9.2658 9.2658 k = 0.0000 0.0000 1.2526 ( 6722 PWs) bands (ev): -20.8270 -20.8270 -20.8266 -20.8266 -20.6154 -20.6154 -20.6124 -20.6124 -7.5356 -7.5356 -7.5134 -7.5134 -7.4969 -7.4969 -7.4639 -7.4639 -5.8097 -5.8097 -5.6737 -5.6737 -5.5305 -5.5305 -5.4838 -5.4838 -5.4537 -5.4537 -5.3963 -5.3963 -4.8612 -4.8612 -4.8420 -4.8420 -0.7189 -0.7189 -0.4713 -0.4713 5.4432 5.4432 5.6520 5.6520 5.8736 5.8736 6.1187 6.1187 6.3957 6.3957 6.4539 6.4539 7.4636 7.4636 7.8656 7.8656 8.5273 8.5273 8.5996 8.5996 8.9152 8.9152 9.2614 9.2614 k = 0.0000 0.0000 1.2839 ( 6718 PWs) bands (ev): -20.8269 -20.8269 -20.8267 -20.8267 -20.6146 -20.6146 -20.6132 -20.6132 -7.5358 -7.5358 -7.5146 -7.5146 -7.4970 -7.4970 -7.4662 -7.4662 -5.8111 -5.8111 -5.6734 -5.6734 -5.5324 -5.5324 -5.4833 -5.4833 -5.4542 -5.4542 -5.3963 -5.3963 -4.8562 -4.8562 -4.8397 -4.8397 -0.7226 -0.7226 -0.4706 -0.4706 5.4410 5.4410 5.6542 5.6542 5.8692 5.8692 6.1294 6.1294 6.4005 6.4005 6.4705 6.4705 7.4520 7.4520 7.8640 7.8640 8.5293 8.5293 8.5776 8.5776 8.9354 8.9354 9.2558 9.2558 k = 0.0000 0.0000 1.3153 ( 6714 PWs) bands (ev): -20.8268 -20.8268 -20.8267 -20.8267 -20.6141 -20.6141 -20.6137 -20.6137 -7.5359 -7.5359 -7.5154 -7.5154 -7.4970 -7.4970 -7.4675 -7.4675 -5.8119 -5.8119 -5.6732 -5.6732 -5.5335 -5.5335 -5.4830 -5.4830 -5.4546 -5.4546 -5.3963 -5.3963 -4.8536 -4.8536 -4.8379 -4.8379 -0.7249 -0.7249 -0.4702 -0.4702 5.4395 5.4395 5.6557 5.6557 5.8666 5.8666 6.1357 6.1357 6.4035 6.4035 6.4807 6.4807 7.4449 7.4449 7.8630 7.8630 8.5305 8.5305 8.5643 8.5643 8.9486 8.9486 9.2511 9.2511 k = 0.0000 0.0000 1.3466 ( 6702 PWs) bands (ev): -20.8268 -20.8268 -20.8267 -20.8267 -20.6139 -20.6139 -20.6139 -20.6139 -7.5360 -7.5360 -7.5156 -7.5156 -7.4970 -7.4970 -7.4680 -7.4680 -5.8122 -5.8122 -5.6732 -5.6732 -5.5338 -5.5338 -5.4828 -5.4828 -5.4547 -5.4547 -5.3962 -5.3962 -4.8528 -4.8528 -4.8372 -4.8372 -0.7256 -0.7256 -0.4701 -0.4701 5.4390 5.4390 5.6562 5.6562 5.8658 5.8658 6.1378 6.1378 6.4046 6.4046 6.4842 6.4842 7.4425 7.4425 7.8626 7.8626 8.5310 8.5310 8.5598 8.5598 8.9533 8.9533 9.2493 9.2493 k = 0.0000 0.0000 1.3466 ( 6702 PWs) bands (ev): -20.8268 -20.8268 -20.8267 -20.8267 -20.6139 -20.6139 -20.6139 -20.6139 -7.5360 -7.5360 -7.5156 -7.5156 -7.4970 -7.4970 -7.4680 -7.4680 -5.8122 -5.8122 -5.6732 -5.6732 -5.5338 -5.5338 -5.4828 -5.4828 -5.4547 -5.4547 -5.3962 -5.3962 -4.8528 -4.8528 -4.8372 -4.8372 -0.7256 -0.7256 -0.4701 -0.4701 5.4390 5.4390 5.6562 5.6562 5.8658 5.8658 6.1378 6.1378 6.4046 6.4046 6.4842 6.4842 7.4425 7.4425 7.8626 7.8626 8.5310 8.5310 8.5598 8.5598 8.9533 8.9533 9.2493 9.2493 k =-0.0100 0.0250 1.3466 ( 6714 PWs) bands (ev): -20.8268 -20.8268 -20.8267 -20.8267 -20.6140 -20.6140 -20.6138 -20.6138 -7.5358 -7.5358 -7.5155 -7.5155 -7.4971 -7.4971 -7.4677 -7.4677 -5.8120 -5.8120 -5.6731 -5.6731 -5.5338 -5.5338 -5.4830 -5.4830 -5.4546 -5.4546 -5.3961 -5.3961 -4.8533 -4.8533 -4.8377 -4.8377 -0.7252 -0.7252 -0.4700 -0.4700 5.4377 5.4377 5.6559 5.6559 5.8637 5.8637 6.1391 6.1391 6.4035 6.4035 6.4847 6.4847 7.4445 7.4445 7.8641 7.8641 8.5326 8.5326 8.5578 8.5578 8.9557 8.9557 9.2447 9.2447 k =-0.0200 0.0500 1.3466 ( 6708 PWs) bands (ev): -20.8268 -20.8268 -20.8267 -20.8267 -20.6144 -20.6144 -20.6134 -20.6134 -7.5353 -7.5353 -7.5149 -7.5149 -7.4972 -7.4972 -7.4669 -7.4669 -5.8112 -5.8112 -5.6731 -5.6731 -5.5337 -5.5337 -5.4835 -5.4835 -5.4543 -5.4543 -5.3956 -5.3956 -4.8552 -4.8552 -4.8391 -4.8391 -0.7238 -0.7238 -0.4699 -0.4699 5.4339 5.4339 5.6550 5.6550 5.8576 5.8576 6.1428 6.1428 6.4003 6.4003 6.4863 6.4863 7.4504 7.4504 7.8684 7.8684 8.5372 8.5372 8.5519 8.5519 8.9631 8.9631 9.2308 9.2308 k =-0.0300 0.0750 1.3466 ( 6692 PWs) bands (ev): -20.8268 -20.8268 -20.8268 -20.8268 -20.6150 -20.6150 -20.6128 -20.6128 -7.5346 -7.5346 -7.5140 -7.5140 -7.4975 -7.4975 -7.4655 -7.4655 -5.8100 -5.8100 -5.6730 -5.6730 -5.5335 -5.5335 -5.4842 -5.4842 -5.4539 -5.4539 -5.3947 -5.3947 -4.8586 -4.8586 -4.8409 -4.8409 -0.7215 -0.7215 -0.4696 -0.4696 5.4274 5.4274 5.6537 5.6537 5.8481 5.8481 6.1482 6.1482 6.3953 6.3953 6.4887 6.4887 7.4600 7.4600 7.8756 7.8756 8.5412 8.5412 8.5459 8.5459 8.9755 8.9755 9.2082 9.2082 k =-0.0400 0.1000 1.3466 ( 6696 PWs) bands (ev): -20.8269 -20.8269 -20.8268 -20.8268 -20.6159 -20.6159 -20.6120 -20.6120 -7.5336 -7.5336 -7.5129 -7.5129 -7.4977 -7.4977 -7.4634 -7.4634 -5.8083 -5.8083 -5.6728 -5.6728 -5.5333 -5.5333 -5.4852 -5.4852 -5.4534 -5.4534 -5.3935 -5.3935 -4.8640 -4.8640 -4.8429 -4.8429 -0.7183 -0.7183 -0.4692 -0.4692 5.4182 5.4182 5.6525 5.6525 5.8358 5.8358 6.1546 6.1546 6.3890 6.3890 6.4918 6.4918 7.4734 7.4734 7.8856 7.8856 8.5284 8.5284 8.5562 8.5562 8.9928 8.9928 9.1775 9.1775 k =-0.0400 0.1000 1.3466 ( 6696 PWs) bands (ev): -20.8269 -20.8269 -20.8268 -20.8268 -20.6159 -20.6159 -20.6120 -20.6120 -7.5336 -7.5336 -7.5129 -7.5129 -7.4977 -7.4977 -7.4634 -7.4634 -5.8083 -5.8083 -5.6728 -5.6728 -5.5333 -5.5333 -5.4852 -5.4852 -5.4534 -5.4534 -5.3935 -5.3935 -4.8640 -4.8640 -4.8429 -4.8429 -0.7183 -0.7183 -0.4692 -0.4692 5.4182 5.4182 5.6525 5.6525 5.8358 5.8358 6.1546 6.1546 6.3890 6.3890 6.4918 6.4918 7.4734 7.4734 7.8856 7.8856 8.5284 8.5284 8.5562 8.5562 8.9928 8.9928 9.1775 9.1775 k =-0.0482 0.1205 1.3245 ( 6694 PWs) bands (ev): -20.8270 -20.8270 -20.8268 -20.8268 -20.6167 -20.6167 -20.6112 -20.6112 -7.5327 -7.5327 -7.5117 -7.5117 -7.4978 -7.4978 -7.4611 -7.4611 -5.8063 -5.8063 -5.6727 -5.6727 -5.5329 -5.5329 -5.4862 -5.4862 -5.4529 -5.4529 -5.3924 -5.3924 -4.8702 -4.8702 -4.8451 -4.8451 -0.7147 -0.7147 -0.4689 -0.4689 5.4087 5.4087 5.6512 5.6512 5.8243 5.8243 6.1591 6.1591 6.3825 6.3825 6.4932 6.4932 7.4880 7.4880 7.8958 7.8958 8.5174 8.5174 8.5673 8.5673 9.0059 9.0059 9.1505 9.1505 k =-0.0564 0.1411 1.3023 ( 6691 PWs) bands (ev): -20.8271 -20.8271 -20.8269 -20.8269 -20.6175 -20.6175 -20.6105 -20.6105 -7.5316 -7.5316 -7.5104 -7.5104 -7.4975 -7.4975 -7.4581 -7.4581 -5.8038 -5.8038 -5.6726 -5.6726 -5.5321 -5.5321 -5.4875 -5.4875 -5.4521 -5.4521 -5.3910 -5.3910 -4.8779 -4.8779 -4.8484 -4.8484 -0.7098 -0.7098 -0.4687 -0.4687 5.3979 5.3979 5.6495 5.6495 5.8123 5.8123 6.1617 6.1617 6.3747 6.3747 6.4920 6.4920 7.5068 7.5068 7.9076 7.9076 8.5090 8.5090 8.5801 8.5801 9.0063 9.0063 9.1341 9.1341 k =-0.0646 0.1616 1.2802 ( 6688 PWs) bands (ev): -20.8272 -20.8272 -20.8270 -20.8270 -20.6183 -20.6183 -20.6097 -20.6097 -7.5304 -7.5304 -7.5093 -7.5093 -7.4964 -7.4964 -7.4543 -7.4543 -5.8007 -5.8007 -5.6724 -5.6724 -5.5310 -5.5310 -5.4889 -5.4889 -5.4513 -5.4513 -5.3894 -5.3894 -4.8871 -4.8871 -4.8530 -4.8530 -0.7037 -0.7037 -0.4686 -0.4686 5.3855 5.3855 5.6471 5.6471 5.7998 5.7998 6.1623 6.1623 6.3659 6.3659 6.4888 6.4888 7.5296 7.5296 7.9205 7.9205 8.5037 8.5037 8.5946 8.5946 8.9859 8.9859 9.1374 9.1374 k =-0.0728 0.1821 1.2581 ( 6692 PWs) bands (ev): -20.8273 -20.8273 -20.8271 -20.8271 -20.6191 -20.6191 -20.6090 -20.6090 -7.5291 -7.5291 -7.5086 -7.5086 -7.4943 -7.4943 -7.4500 -7.4500 -5.7969 -5.7969 -5.6721 -5.6721 -5.5295 -5.5295 -5.4906 -5.4906 -5.4503 -5.4503 -5.3876 -5.3876 -4.8977 -4.8977 -4.8589 -4.8589 -0.6965 -0.6965 -0.4686 -0.4686 5.3716 5.3716 5.6439 5.6439 5.7873 5.7873 6.1608 6.1608 6.3566 6.3566 6.4837 6.4837 7.5560 7.5560 7.9341 7.9341 8.5017 8.5017 8.6106 8.6106 8.9505 8.9505 9.1566 9.1566 k =-0.0811 0.2027 1.2360 ( 6690 PWs) bands (ev): -20.8274 -20.8274 -20.8272 -20.8272 -20.6199 -20.6199 -20.6083 -20.6083 -7.5279 -7.5279 -7.5083 -7.5083 -7.4912 -7.4912 -7.4451 -7.4451 -5.7926 -5.7926 -5.6717 -5.6717 -5.5279 -5.5279 -5.4924 -5.4924 -5.4492 -5.4492 -5.3856 -5.3856 -4.9095 -4.9095 -4.8661 -4.8661 -0.6881 -0.6881 -0.4686 -0.4686 5.3562 5.3562 5.6394 5.6394 5.7753 5.7753 6.1571 6.1571 6.3473 6.3473 6.4771 6.4771 7.5855 7.5855 7.9479 7.9479 8.5024 8.5024 8.6282 8.6282 8.9099 8.9099 9.1840 9.1840 k =-0.0893 0.2232 1.2138 ( 6690 PWs) bands (ev): -20.8275 -20.8275 -20.8274 -20.8274 -20.6207 -20.6207 -20.6076 -20.6076 -7.5266 -7.5266 -7.5081 -7.5081 -7.4873 -7.4873 -7.4396 -7.4396 -5.7876 -5.7876 -5.6711 -5.6711 -5.5260 -5.5260 -5.4944 -5.4944 -5.4481 -5.4481 -5.3833 -5.3833 -4.9225 -4.9225 -4.8746 -4.8746 -0.6787 -0.6787 -0.4687 -0.4687 5.3392 5.3392 5.6331 5.6331 5.7643 5.7643 6.1511 6.1511 6.3386 6.3386 6.4694 6.4694 7.6179 7.6179 7.9613 7.9613 8.5048 8.5048 8.6472 8.6472 8.8705 8.8705 9.2157 9.2157 k =-0.0975 0.2438 1.1917 ( 6699 PWs) bands (ev): -20.8276 -20.8276 -20.8275 -20.8275 -20.6215 -20.6215 -20.6069 -20.6069 -7.5254 -7.5254 -7.5081 -7.5081 -7.4827 -7.4827 -7.4337 -7.4337 -5.7821 -5.7821 -5.6702 -5.6702 -5.5240 -5.5240 -5.4964 -5.4964 -5.4469 -5.4469 -5.3807 -5.3807 -4.9366 -4.9366 -4.8843 -4.8843 -0.6684 -0.6684 -0.4689 -0.4689 5.3209 5.3209 5.6242 5.6242 5.7552 5.7552 6.1431 6.1431 6.3309 6.3309 6.4608 6.4608 7.6529 7.6529 7.9740 7.9740 8.5062 8.5062 8.6675 8.6675 8.8377 8.8377 9.2497 9.2497 k =-0.1057 0.2643 1.1696 ( 6700 PWs) bands (ev): -20.8278 -20.8278 -20.8277 -20.8277 -20.6222 -20.6222 -20.6063 -20.6063 -7.5244 -7.5244 -7.5079 -7.5079 -7.4776 -7.4776 -7.4273 -7.4273 -5.7760 -5.7760 -5.6690 -5.6690 -5.5220 -5.5220 -5.4985 -5.4985 -5.4458 -5.4458 -5.3779 -5.3779 -4.9516 -4.9516 -4.8952 -4.8952 -0.6573 -0.6573 -0.4692 -0.4692 5.3012 5.3012 5.6120 5.6120 5.7487 5.7487 6.1331 6.1331 6.3242 6.3242 6.4518 6.4518 7.6903 7.6903 7.9856 7.9856 8.5031 8.5031 8.6889 8.6889 8.8171 8.8171 9.2846 9.2846 k =-0.1139 0.2849 1.1475 ( 6700 PWs) bands (ev): -20.8279 -20.8279 -20.8279 -20.8279 -20.6230 -20.6230 -20.6056 -20.6056 -7.5235 -7.5235 -7.5076 -7.5076 -7.4721 -7.4721 -7.4206 -7.4206 -5.7693 -5.7693 -5.6675 -5.6675 -5.5201 -5.5201 -5.5006 -5.5006 -5.4447 -5.4447 -5.3748 -5.3748 -4.9676 -4.9676 -4.9071 -4.9071 -0.6455 -0.6455 -0.4695 -0.4695 5.2803 5.2803 5.5964 5.5964 5.7451 5.7451 6.1214 6.1214 6.3187 6.3187 6.4426 6.4426 7.7297 7.7297 7.9957 7.9957 8.4921 8.4921 8.7112 8.7112 8.8133 8.8133 9.3188 9.3188 k =-0.1221 0.3054 1.1253 ( 6697 PWs) bands (ev): -20.8281 -20.8281 -20.8280 -20.8280 -20.6237 -20.6237 -20.6050 -20.6050 -7.5228 -7.5228 -7.5071 -7.5071 -7.4663 -7.4663 -7.4135 -7.4135 -5.7621 -5.7621 -5.6655 -5.6655 -5.5185 -5.5185 -5.5024 -5.5024 -5.4436 -5.4436 -5.3713 -5.3713 -4.9845 -4.9845 -4.9202 -4.9202 -0.6331 -0.6331 -0.4699 -0.4699 5.2585 5.2585 5.5776 5.5776 5.7445 5.7445 6.1084 6.1084 6.3141 6.3141 6.4338 6.4338 7.7711 7.7711 8.0041 8.0041 8.4727 8.4727 8.7344 8.7344 8.8274 8.8274 9.3508 9.3508 k =-0.1303 0.3259 1.1032 ( 6697 PWs) bands (ev): -20.8283 -20.8283 -20.8282 -20.8282 -20.6244 -20.6244 -20.6045 -20.6045 -7.5223 -7.5223 -7.5064 -7.5064 -7.4602 -7.4602 -7.4062 -7.4062 -5.7544 -5.7544 -5.6631 -5.6631 -5.5175 -5.5175 -5.5038 -5.5038 -5.4427 -5.4427 -5.3675 -5.3675 -5.0021 -5.0021 -4.9341 -4.9341 -0.6203 -0.6203 -0.4704 -0.4704 5.2358 5.2358 5.5561 5.5561 5.7464 5.7464 6.0945 6.0945 6.3101 6.3101 6.4256 6.4256 7.8143 7.8143 8.0100 8.0100 8.4480 8.4480 8.7587 8.7587 8.8571 8.8571 9.3781 9.3781 k =-0.1386 0.3465 1.0811 ( 6699 PWs) bands (ev): -20.8286 -20.8286 -20.8283 -20.8283 -20.6251 -20.6251 -20.6039 -20.6039 -7.5221 -7.5221 -7.5056 -7.5056 -7.4539 -7.4539 -7.3987 -7.3987 -5.7463 -5.7463 -5.6600 -5.6600 -5.5177 -5.5177 -5.5041 -5.5041 -5.4418 -5.4418 -5.3633 -5.3633 -5.0203 -5.0203 -4.9489 -4.9489 -0.6071 -0.6071 -0.4709 -0.4709 5.2126 5.2126 5.5327 5.5327 5.7503 5.7503 6.0800 6.0800 6.3061 6.3061 6.4188 6.4188 7.8591 7.8591 8.0128 8.0128 8.4222 8.4222 8.7836 8.7836 8.8991 8.8991 9.3984 9.3984 k =-0.1468 0.3670 1.0590 ( 6707 PWs) bands (ev): -20.8288 -20.8288 -20.8284 -20.8284 -20.6257 -20.6257 -20.6034 -20.6034 -7.5219 -7.5219 -7.5046 -7.5046 -7.4475 -7.4475 -7.3912 -7.3912 -5.7377 -5.7377 -5.6564 -5.6564 -5.5191 -5.5191 -5.5035 -5.5035 -5.4410 -5.4410 -5.3587 -5.3587 -5.0390 -5.0390 -4.9645 -4.9645 -0.5938 -0.5938 -0.4714 -0.4714 5.1890 5.1890 5.5080 5.5080 5.7557 5.7557 6.0654 6.0654 6.3016 6.3016 6.4136 6.4136 7.9052 7.9052 8.0116 8.0116 8.3991 8.3991 8.8086 8.8086 8.9506 8.9506 9.4098 9.4098 k =-0.1550 0.3876 1.0368 ( 6711 PWs) bands (ev): -20.8290 -20.8290 -20.8286 -20.8286 -20.6263 -20.6263 -20.6029 -20.6029 -7.5219 -7.5219 -7.5036 -7.5036 -7.4410 -7.4410 -7.3836 -7.3836 -5.7289 -5.7289 -5.6520 -5.6520 -5.5215 -5.5215 -5.5021 -5.5021 -5.4404 -5.4404 -5.3537 -5.3537 -5.0582 -5.0582 -4.9807 -4.9807 -0.5805 -0.5805 -0.4719 -0.4719 5.1654 5.1654 5.4826 5.4826 5.7621 5.7621 6.0511 6.0511 6.2963 6.2963 6.4104 6.4104 7.9517 7.9517 8.0063 8.0063 8.3814 8.3814 8.8332 8.8332 9.0097 9.0097 9.4116 9.4116 k =-0.1632 0.4081 1.0147 ( 6719 PWs) bands (ev): -20.8292 -20.8292 -20.8287 -20.8287 -20.6269 -20.6269 -20.6025 -20.6025 -7.5219 -7.5219 -7.5026 -7.5026 -7.4346 -7.4346 -7.3761 -7.3761 -5.7199 -5.7199 -5.6468 -5.6468 -5.5245 -5.5245 -5.5003 -5.5003 -5.4398 -5.4398 -5.3484 -5.3484 -5.0776 -5.0776 -4.9975 -4.9975 -0.5673 -0.5673 -0.4725 -0.4725 5.1420 5.1420 5.4570 5.4570 5.7691 5.7691 6.0375 6.0375 6.2898 6.2898 6.4094 6.4094 7.9846 7.9846 8.0109 8.0109 8.3703 8.3703 8.8568 8.8568 9.0750 9.0750 9.4051 9.4051 k =-0.1714 0.4286 0.9926 ( 6734 PWs) bands (ev): -20.8295 -20.8295 -20.8288 -20.8288 -20.6274 -20.6274 -20.6021 -20.6021 -7.5220 -7.5220 -7.5015 -7.5015 -7.4282 -7.4282 -7.3687 -7.3687 -5.7107 -5.7107 -5.6408 -5.6408 -5.5279 -5.5279 -5.4985 -5.4985 -5.4393 -5.4393 -5.3426 -5.3426 -5.0972 -5.0972 -5.0146 -5.0146 -0.5543 -0.5543 -0.4731 -0.4731 5.1191 5.1191 5.4318 5.4318 5.7762 5.7762 6.0249 6.0249 6.2824 6.2824 6.4104 6.4104 7.9735 7.9735 8.0556 8.0556 8.3661 8.3661 8.8786 8.8786 9.1452 9.1452 9.3929 9.3929 k =-0.1796 0.4492 0.9705 ( 6724 PWs) bands (ev): -20.8297 -20.8297 -20.8289 -20.8289 -20.6280 -20.6280 -20.6017 -20.6017 -7.5221 -7.5221 -7.5005 -7.5005 -7.4220 -7.4220 -7.3616 -7.3616 -5.7016 -5.7016 -5.6338 -5.6338 -5.5317 -5.5317 -5.4967 -5.4967 -5.4390 -5.4390 -5.3364 -5.3364 -5.1169 -5.1169 -5.0320 -5.0320 -0.5417 -0.5417 -0.4736 -0.4736 5.0969 5.0969 5.4072 5.4072 5.7830 5.7830 6.0137 6.0137 6.2742 6.2742 6.4131 6.4131 7.9539 7.9539 8.1061 8.1061 8.3678 8.3678 8.8978 8.8978 9.2193 9.2193 9.3782 9.3782 k =-0.1878 0.4697 0.9484 ( 6721 PWs) bands (ev): -20.8299 -20.8299 -20.8291 -20.8291 -20.6284 -20.6284 -20.6013 -20.6013 -7.5223 -7.5223 -7.4996 -7.4996 -7.4161 -7.4161 -7.3547 -7.3547 -5.6927 -5.6927 -5.6260 -5.6260 -5.5357 -5.5357 -5.4949 -5.4949 -5.4387 -5.4387 -5.3299 -5.3299 -5.1364 -5.1364 -5.0495 -5.0495 -0.5297 -0.5297 -0.4742 -0.4742 5.0757 5.0757 5.3836 5.3836 5.7891 5.7891 6.0043 6.0043 6.2654 6.2654 6.4172 6.4172 7.9316 7.9316 8.1578 8.1578 8.3738 8.3738 8.9138 8.9138 9.2956 9.2956 9.3647 9.3647 k =-0.1961 0.4903 0.9262 ( 6717 PWs) bands (ev): -20.8301 -20.8301 -20.8292 -20.8292 -20.6289 -20.6289 -20.6010 -20.6010 -7.5224 -7.5224 -7.4987 -7.4987 -7.4104 -7.4104 -7.3483 -7.3483 -5.6840 -5.6840 -5.6174 -5.6174 -5.5399 -5.5399 -5.4934 -5.4934 -5.4385 -5.4385 -5.3230 -5.3230 -5.1555 -5.1555 -5.0669 -5.0669 -0.5184 -0.5184 -0.4747 -0.4747 5.0557 5.0557 5.3615 5.3615 5.7941 5.7941 5.9970 5.9970 6.2565 6.2565 6.4221 6.4221 7.9083 7.9083 8.2101 8.2101 8.3827 8.3827 8.9254 8.9254 9.3432 9.3432 9.3846 9.3846 k =-0.2043 0.5108 0.9041 ( 6719 PWs) bands (ev): -20.8303 -20.8303 -20.8293 -20.8293 -20.6292 -20.6292 -20.6007 -20.6007 -7.5225 -7.5225 -7.4979 -7.4979 -7.4052 -7.4052 -7.3423 -7.3423 -5.6756 -5.6756 -5.6081 -5.6081 -5.5442 -5.5442 -5.4920 -5.4920 -5.4383 -5.4383 -5.3158 -5.3158 -5.1741 -5.1741 -5.0842 -5.0842 -0.5080 -0.5080 -0.4751 -0.4751 5.0371 5.0371 5.3410 5.3410 5.7978 5.7978 5.9919 5.9919 6.2477 6.2477 6.4275 6.4275 7.8853 7.8853 8.2626 8.2626 8.3930 8.3930 8.9319 8.9319 9.3382 9.3382 9.4625 9.4625 k =-0.2125 0.5313 0.8820 ( 6727 PWs) bands (ev): -20.8304 -20.8304 -20.8294 -20.8294 -20.6296 -20.6296 -20.6005 -20.6005 -7.5227 -7.5227 -7.4972 -7.4972 -7.4004 -7.4004 -7.3369 -7.3369 -5.6676 -5.6676 -5.5984 -5.5984 -5.5485 -5.5485 -5.4908 -5.4908 -5.4382 -5.4382 -5.3083 -5.3083 -5.1918 -5.1918 -5.1012 -5.1012 -0.4985 -0.4985 -0.4754 -0.4754 5.0202 5.0202 5.3223 5.3223 5.8001 5.8001 5.9890 5.9890 6.2392 6.2392 6.4331 6.4331 7.8634 7.8634 8.3144 8.3144 8.4038 8.4038 8.9326 8.9326 9.3352 9.3352 9.5430 9.5430 k =-0.2207 0.5519 0.8599 ( 6727 PWs) bands (ev): -20.8306 -20.8306 -20.8294 -20.8294 -20.6299 -20.6299 -20.6002 -20.6002 -7.5228 -7.5228 -7.4965 -7.4965 -7.3961 -7.3961 -7.3320 -7.3320 -5.6599 -5.6599 -5.5889 -5.5889 -5.5526 -5.5526 -5.4899 -5.4899 -5.4381 -5.4381 -5.3007 -5.3007 -5.2082 -5.2082 -5.1176 -5.1176 -0.4903 -0.4903 -0.4755 -0.4755 5.0052 5.0052 5.3058 5.3058 5.8010 5.8010 5.9881 5.9881 6.2312 6.2312 6.4386 6.4386 7.8434 7.8434 8.3639 8.3639 8.4156 8.4156 8.9271 8.9271 9.3382 9.3382 9.6181 9.6181 k =-0.2289 0.5724 0.8377 ( 6731 PWs) bands (ev): -20.8307 -20.8307 -20.8295 -20.8295 -20.6302 -20.6302 -20.6000 -20.6000 -7.5229 -7.5229 -7.4960 -7.4960 -7.3923 -7.3923 -7.3278 -7.3278 -5.6527 -5.6527 -5.5805 -5.5805 -5.5556 -5.5556 -5.4892 -5.4892 -5.4381 -5.4381 -5.2933 -5.2933 -5.2227 -5.2227 -5.1333 -5.1333 -0.4838 -0.4838 -0.4750 -0.4750 4.9922 4.9922 5.2915 5.2915 5.8008 5.8008 5.9887 5.9887 6.2240 6.2240 6.4437 6.4437 7.8258 7.8258 8.4023 8.4023 8.4358 8.4358 8.9155 8.9155 9.3479 9.3479 9.6725 9.6725 k =-0.2371 0.5930 0.8156 ( 6717 PWs) bands (ev): -20.8308 -20.8308 -20.8296 -20.8296 -20.6304 -20.6304 -20.5999 -20.5999 -7.5230 -7.5230 -7.4955 -7.4955 -7.3892 -7.3892 -7.3243 -7.3243 -5.6461 -5.6461 -5.5756 -5.5756 -5.5557 -5.5557 -5.4887 -5.4887 -5.4381 -5.4381 -5.2868 -5.2868 -5.2346 -5.2346 -5.1480 -5.1480 -0.4801 -0.4801 -0.4727 -0.4727 4.9814 4.9814 5.2797 5.2797 5.8000 5.8000 5.9902 5.9902 6.2178 6.2178 6.4482 6.4482 7.8110 7.8110 8.4177 8.4177 8.4751 8.4751 8.8986 8.8986 9.3643 9.3643 9.6780 9.6780 k =-0.2453 0.6135 0.7935 ( 6717 PWs) bands (ev): -20.8309 -20.8309 -20.8296 -20.8296 -20.6306 -20.6306 -20.5998 -20.5998 -7.5230 -7.5230 -7.4952 -7.4952 -7.3867 -7.3867 -7.3215 -7.3215 -5.6402 -5.6402 -5.5753 -5.5753 -5.5519 -5.5519 -5.4885 -5.4885 -5.4381 -5.4381 -5.2822 -5.2822 -5.2423 -5.2423 -5.1612 -5.1612 -0.4791 -0.4791 -0.4692 -0.4692 4.9728 4.9728 5.2703 5.2703 5.7989 5.7989 5.9922 5.9922 6.2127 6.2127 6.4518 6.4518 7.7993 7.7993 8.4243 8.4243 8.5178 8.5178 8.8780 8.8780 9.3871 9.3871 9.6457 9.6457 k =-0.2536 0.6341 0.7714 ( 6716 PWs) bands (ev): -20.8310 -20.8310 -20.8296 -20.8296 -20.6307 -20.6307 -20.5997 -20.5997 -7.5231 -7.5231 -7.4949 -7.4949 -7.3849 -7.3849 -7.3195 -7.3195 -5.6354 -5.6354 -5.5774 -5.5774 -5.5468 -5.5468 -5.4885 -5.4885 -5.4382 -5.4382 -5.2806 -5.2806 -5.2450 -5.2450 -5.1724 -5.1724 -0.4788 -0.4788 -0.4660 -0.4660 4.9666 4.9666 5.2636 5.2636 5.7978 5.7978 5.9940 5.9940 6.2089 6.2089 6.4546 6.4546 7.7907 7.7907 8.4280 8.4280 8.5554 8.5554 8.8567 8.8567 9.4149 9.4149 9.6035 9.6035 k =-0.2618 0.6546 0.7492 ( 6724 PWs) bands (ev): -20.8310 -20.8310 -20.8296 -20.8296 -20.6308 -20.6308 -20.5996 -20.5996 -7.5231 -7.5231 -7.4948 -7.4948 -7.3839 -7.3839 -7.3183 -7.3183 -5.6322 -5.6322 -5.5793 -5.5793 -5.5431 -5.5431 -5.4885 -5.4885 -5.4383 -5.4383 -5.2813 -5.2813 -5.2442 -5.2442 -5.1803 -5.1803 -0.4787 -0.4787 -0.4641 -0.4641 4.9629 4.9629 5.2595 5.2595 5.7971 5.7971 5.9952 5.9952 6.2066 6.2066 6.4563 6.4563 7.7856 7.7856 8.4299 8.4299 8.5823 8.5823 8.8396 8.8396 9.4441 9.4441 9.5641 9.5641 k =-0.2700 0.6751 0.7271 ( 6720 PWs) bands (ev): -20.8310 -20.8310 -20.8297 -20.8297 -20.6308 -20.6308 -20.5996 -20.5996 -7.5231 -7.5231 -7.4947 -7.4947 -7.3835 -7.3835 -7.3179 -7.3179 -5.6312 -5.6312 -5.5801 -5.5801 -5.5417 -5.5417 -5.4886 -5.4886 -5.4383 -5.4383 -5.2818 -5.2818 -5.2432 -5.2432 -5.1833 -5.1833 -0.4787 -0.4787 -0.4634 -0.4634 4.9616 4.9616 5.2581 5.2581 5.7968 5.7968 5.9957 5.9957 6.2058 6.2058 6.4569 6.4569 7.7839 7.7839 8.4305 8.4305 8.5925 8.5925 8.8327 8.8327 9.4606 9.4606 9.5441 9.5441 k =-0.2700 0.6751 0.7271 ( 6720 PWs) bands (ev): -20.8310 -20.8310 -20.8297 -20.8297 -20.6308 -20.6308 -20.5996 -20.5996 -7.5231 -7.5231 -7.4947 -7.4947 -7.3835 -7.3835 -7.3179 -7.3179 -5.6312 -5.6312 -5.5801 -5.5801 -5.5417 -5.5417 -5.4886 -5.4886 -5.4383 -5.4383 -5.2818 -5.2818 -5.2432 -5.2432 -5.1833 -5.1833 -0.4787 -0.4787 -0.4634 -0.4634 4.9616 4.9616 5.2581 5.2581 5.7968 5.7968 5.9957 5.9957 6.2058 6.2058 6.4569 6.4569 7.7839 7.7839 8.4305 8.4305 8.5925 8.5925 8.8327 8.8327 9.4606 9.4606 9.5441 9.5441 k =-0.2618 0.6547 0.7051 ( 6714 PWs) bands (ev): -20.8313 -20.8313 -20.8292 -20.8292 -20.6246 -20.6246 -20.6059 -20.6059 -7.5218 -7.5218 -7.4966 -7.4966 -7.3722 -7.3722 -7.3287 -7.3287 -5.6294 -5.6294 -5.5821 -5.5821 -5.5397 -5.5397 -5.4793 -5.4793 -5.4396 -5.4396 -5.2905 -5.2905 -5.2447 -5.2447 -5.1862 -5.1862 -0.4776 -0.4776 -0.4603 -0.4603 4.9481 4.9481 5.2777 5.2777 5.8014 5.8014 5.9974 5.9974 6.1861 6.1861 6.4400 6.4400 7.8101 7.8101 8.4406 8.4406 8.5722 8.5722 8.8010 8.8010 9.4773 9.4773 9.5891 9.5891 k =-0.2536 0.6342 0.6831 ( 6722 PWs) bands (ev): -20.8317 -20.8317 -20.8288 -20.8288 -20.6187 -20.6187 -20.6118 -20.6118 -7.5206 -7.5206 -7.4983 -7.4983 -7.3651 -7.3651 -7.3354 -7.3354 -5.6288 -5.6288 -5.5854 -5.5854 -5.5376 -5.5376 -5.4725 -5.4725 -5.4394 -5.4394 -5.2965 -5.2965 -5.2450 -5.2450 -5.1879 -5.1879 -0.4788 -0.4788 -0.4577 -0.4577 4.9401 4.9401 5.2996 5.2996 5.8050 5.8050 5.9979 5.9979 6.1683 6.1683 6.4265 6.4265 7.8215 7.8215 8.4529 8.4529 8.5530 8.5530 8.7688 8.7688 9.4812 9.4812 9.6297 9.6297 k =-0.2454 0.6138 0.6610 ( 6714 PWs) bands (ev): -20.8321 -20.8321 -20.8284 -20.8284 -20.6193 -20.6193 -20.6112 -20.6112 -7.5194 -7.5194 -7.4999 -7.4999 -7.3681 -7.3681 -7.3320 -7.3320 -5.6289 -5.6289 -5.5901 -5.5901 -5.5353 -5.5353 -5.4706 -5.4706 -5.4366 -5.4366 -5.2980 -5.2980 -5.2450 -5.2450 -5.1884 -5.1884 -0.4823 -0.4823 -0.4554 -0.4554 4.9378 4.9378 5.3234 5.3234 5.8072 5.8072 5.9976 5.9976 6.1526 6.1526 6.4166 6.4166 7.8177 7.8177 8.4650 8.4650 8.5367 8.5367 8.7365 8.7365 9.4724 9.4724 9.6673 9.6673 k =-0.2373 0.5933 0.6390 ( 6722 PWs) bands (ev): -20.8326 -20.8326 -20.8279 -20.8279 -20.6253 -20.6253 -20.6052 -20.6052 -7.5184 -7.5184 -7.5012 -7.5012 -7.3780 -7.3780 -7.3219 -7.3219 -5.6294 -5.6294 -5.5962 -5.5962 -5.5329 -5.5329 -5.4731 -5.4731 -5.4322 -5.4322 -5.2940 -5.2940 -5.2451 -5.2451 -5.1877 -5.1877 -0.4881 -0.4881 -0.4535 -0.4535 4.9410 4.9410 5.3489 5.3489 5.8076 5.8076 5.9970 5.9970 6.1392 6.1392 6.4101 6.4101 7.7992 7.7992 8.4698 8.4698 8.5289 8.5289 8.7044 8.7044 9.4513 9.4513 9.7029 9.7029 k =-0.2291 0.5728 0.6170 ( 6726 PWs) bands (ev): -20.8331 -20.8331 -20.8276 -20.8276 -20.6315 -20.6315 -20.5989 -20.5989 -7.5175 -7.5175 -7.5023 -7.5023 -7.3898 -7.3898 -7.3098 -7.3098 -5.6301 -5.6301 -5.6040 -5.6040 -5.5303 -5.5303 -5.4779 -5.4779 -5.4282 -5.4282 -5.2849 -5.2849 -5.2457 -5.2457 -5.1854 -5.1854 -0.4962 -0.4962 -0.4521 -0.4521 4.9497 4.9497 5.3756 5.3756 5.8056 5.8056 5.9974 5.9974 6.1283 6.1283 6.4070 6.4070 7.7675 7.7675 8.4610 8.4610 8.5342 8.5342 8.6729 8.6729 9.4188 9.4188 9.7365 9.7365 k =-0.2209 0.5524 0.5949 ( 6714 PWs) bands (ev): -20.8337 -20.8337 -20.8272 -20.8272 -20.6376 -20.6376 -20.5926 -20.5926 -7.5168 -7.5168 -7.5031 -7.5031 -7.4021 -7.4021 -7.2972 -7.2972 -5.6312 -5.6312 -5.6131 -5.6131 -5.5276 -5.5276 -5.4835 -5.4835 -5.4252 -5.4252 -5.2718 -5.2718 -5.2466 -5.2466 -5.1814 -5.1814 -0.5064 -0.5064 -0.4510 -0.4510 4.9638 4.9638 5.4030 5.4030 5.8007 5.8007 5.9995 5.9995 6.1201 6.1201 6.4074 6.4074 7.7245 7.7245 8.4434 8.4434 8.5460 8.5460 8.6425 8.6425 9.3758 9.3758 9.7653 9.7653 k =-0.2127 0.5319 0.5729 ( 6710 PWs) bands (ev): -20.8343 -20.8343 -20.8268 -20.8268 -20.6437 -20.6437 -20.5863 -20.5863 -7.5163 -7.5163 -7.5036 -7.5036 -7.4145 -7.4145 -7.2846 -7.2846 -5.6341 -5.6341 -5.6220 -5.6220 -5.5248 -5.5248 -5.4890 -5.4890 -5.4230 -5.4230 -5.2563 -5.2563 -5.2479 -5.2479 -5.1753 -5.1753 -0.5187 -0.5187 -0.4504 -0.4504 4.9828 4.9828 5.4308 5.4308 5.7925 5.7925 6.0044 6.0044 6.1149 6.1149 6.4111 6.4111 7.6723 7.6723 8.4225 8.4225 8.5581 8.5581 8.6136 8.6136 9.3236 9.3236 9.7813 9.7813 k =-0.2045 0.5115 0.5509 ( 6694 PWs) bands (ev): -20.8349 -20.8349 -20.8264 -20.8264 -20.6497 -20.6497 -20.5801 -20.5801 -7.5161 -7.5161 -7.5038 -7.5038 -7.4269 -7.4269 -7.2720 -7.2720 -5.6428 -5.6428 -5.6263 -5.6263 -5.5220 -5.5220 -5.4940 -5.4940 -5.4214 -5.4214 -5.2499 -5.2499 -5.2397 -5.2397 -5.1667 -5.1667 -0.5329 -0.5329 -0.4502 -0.4502 5.0065 5.0065 5.4584 5.4584 5.7814 5.7814 6.0125 6.0125 6.1131 6.1131 6.4180 6.4180 7.6126 7.6126 8.3999 8.3999 8.5678 8.5678 8.5864 8.5864 9.2639 9.2639 9.7716 9.7716 k =-0.1964 0.4910 0.5288 ( 6688 PWs) bands (ev): -20.8356 -20.8356 -20.8261 -20.8261 -20.6556 -20.6556 -20.5740 -20.5740 -7.5161 -7.5161 -7.5037 -7.5037 -7.4391 -7.4391 -7.2597 -7.2597 -5.6561 -5.6561 -5.6271 -5.6271 -5.5193 -5.5193 -5.4981 -5.4981 -5.4200 -5.4200 -5.2518 -5.2518 -5.2242 -5.2242 -5.1548 -5.1548 -0.5489 -0.5489 -0.4503 -0.4503 5.0341 5.0341 5.4853 5.4853 5.7679 5.7679 6.0236 6.0236 6.1150 6.1150 6.4281 6.4281 7.5473 7.5473 8.3764 8.3764 8.5608 8.5608 8.5752 8.5752 9.1982 9.1982 9.7303 9.7303 k =-0.1882 0.4706 0.5068 ( 6696 PWs) bands (ev): -20.8364 -20.8364 -20.8258 -20.8258 -20.6613 -20.6613 -20.5679 -20.5679 -7.5164 -7.5164 -7.5035 -7.5035 -7.4509 -7.4509 -7.2476 -7.2476 -5.6711 -5.6711 -5.6267 -5.6267 -5.5168 -5.5168 -5.5014 -5.5014 -5.4188 -5.4188 -5.2539 -5.2539 -5.2106 -5.2106 -5.1393 -5.1393 -0.5666 -0.5666 -0.4508 -0.4508 5.0648 5.0648 5.5111 5.5111 5.7536 5.7536 6.0370 6.0370 6.1213 6.1213 6.4411 6.4411 7.4777 7.4777 8.3522 8.3522 8.5381 8.5381 8.5791 8.5791 9.1279 9.1279 9.6664 9.6664 k =-0.1800 0.4501 0.4847 ( 6712 PWs) bands (ev): -20.8371 -20.8371 -20.8254 -20.8254 -20.6669 -20.6669 -20.5620 -20.5620 -7.5169 -7.5169 -7.5031 -7.5031 -7.4622 -7.4622 -7.2358 -7.2358 -5.6868 -5.6868 -5.6258 -5.6258 -5.5148 -5.5148 -5.5035 -5.5035 -5.4177 -5.4177 -5.2561 -5.2561 -5.1990 -5.1990 -5.1205 -5.1205 -0.5857 -0.5857 -0.4517 -0.4517 5.0974 5.0974 5.5353 5.5353 5.7402 5.7402 6.0518 6.0518 6.1328 6.1328 6.4571 6.4571 7.4052 7.4052 8.3275 8.3275 8.5178 8.5178 8.5807 8.5807 9.0545 9.0545 9.5912 9.5912 k =-0.1718 0.4296 0.4627 ( 6724 PWs) bands (ev): -20.8379 -20.8379 -20.8251 -20.8251 -20.6724 -20.6724 -20.5562 -20.5562 -7.5178 -7.5178 -7.5028 -7.5028 -7.4728 -7.4728 -7.2244 -7.2244 -5.7030 -5.7030 -5.6243 -5.6243 -5.5140 -5.5140 -5.5039 -5.5039 -5.4166 -5.4166 -5.2584 -5.2584 -5.1890 -5.1890 -5.0992 -5.0992 -0.6061 -0.6061 -0.4528 -0.4528 5.1300 5.1300 5.5578 5.5578 5.7299 5.7299 6.0668 6.0668 6.1500 6.1500 6.4757 6.4757 7.3309 7.3309 8.3023 8.3023 8.5003 8.5003 8.5802 8.5802 8.9790 8.9790 9.5114 9.5114 k =-0.1636 0.4092 0.4407 ( 6728 PWs) bands (ev): -20.8388 -20.8388 -20.8249 -20.8249 -20.6776 -20.6776 -20.5505 -20.5505 -7.5193 -7.5193 -7.5027 -7.5027 -7.4822 -7.4822 -7.2133 -7.2133 -5.7192 -5.7192 -5.6225 -5.6225 -5.5145 -5.5145 -5.5027 -5.5027 -5.4156 -5.4156 -5.2607 -5.2607 -5.1802 -5.1802 -5.0763 -5.0763 -0.6276 -0.6276 -0.4542 -0.4542 5.1602 5.1602 5.5794 5.5794 5.7248 5.7248 6.0815 6.0815 6.1728 6.1728 6.4970 6.4970 7.2560 7.2560 8.2769 8.2769 8.4858 8.4858 8.5783 8.5783 8.9025 8.9025 9.4303 9.4303 k =-0.1554 0.3887 0.4186 ( 6725 PWs) bands (ev): -20.8396 -20.8396 -20.8246 -20.8246 -20.6826 -20.6826 -20.5451 -20.5451 -7.5217 -7.5217 -7.5032 -7.5032 -7.4895 -7.4895 -7.2027 -7.2027 -5.7353 -5.7353 -5.6202 -5.6202 -5.5158 -5.5158 -5.5004 -5.5004 -5.4146 -5.4146 -5.2628 -5.2628 -5.1720 -5.1720 -5.0525 -5.0525 -0.6500 -0.6500 -0.4559 -0.4559 5.1850 5.1850 5.6019 5.6019 5.7264 5.7264 6.0958 6.0958 6.2006 6.2006 6.5206 6.5206 7.1811 7.1811 8.2512 8.2512 8.4744 8.4744 8.5754 8.5754 8.8258 8.8258 9.3497 9.3497 k =-0.1473 0.3683 0.3966 ( 6723 PWs) bands (ev): -20.8405 -20.8405 -20.8243 -20.8243 -20.6875 -20.6875 -20.5397 -20.5397 -7.5258 -7.5258 -7.5049 -7.5049 -7.4937 -7.4937 -7.1925 -7.1925 -5.7510 -5.7510 -5.6177 -5.6177 -5.5173 -5.5173 -5.4978 -5.4978 -5.4137 -5.4137 -5.2649 -5.2649 -5.1642 -5.1642 -5.0284 -5.0284 -0.6729 -0.6729 -0.4578 -0.4578 5.2013 5.2013 5.6289 5.6289 5.7346 5.7346 6.1100 6.1100 6.2323 6.2323 6.5464 6.5464 7.1073 7.1073 8.2257 8.2257 8.4664 8.4664 8.5719 8.5719 8.7497 8.7497 9.2706 9.2706 k =-0.1391 0.3478 0.3746 ( 6737 PWs) bands (ev): -20.8414 -20.8414 -20.8241 -20.8241 -20.6921 -20.6921 -20.5346 -20.5346 -7.5318 -7.5318 -7.5069 -7.5069 -7.4951 -7.4951 -7.1828 -7.1828 -5.7663 -5.7663 -5.6148 -5.6148 -5.5189 -5.5189 -5.4950 -5.4950 -5.4129 -5.4129 -5.2669 -5.2669 -5.1567 -5.1567 -5.0042 -5.0042 -0.6963 -0.6963 -0.4598 -0.4598 5.2071 5.2071 5.6638 5.6638 5.7483 5.7483 6.1244 6.1244 6.2667 6.2667 6.5741 6.5741 7.0352 7.0352 8.2004 8.2004 8.4617 8.4617 8.5680 8.5680 8.6749 8.6749 9.1937 9.1937 k =-0.1309 0.3273 0.3525 ( 6721 PWs) bands (ev): -20.8423 -20.8423 -20.8239 -20.8239 -20.6965 -20.6965 -20.5297 -20.5297 -7.5391 -7.5391 -7.5082 -7.5082 -7.4953 -7.4953 -7.1736 -7.1736 -5.7811 -5.7811 -5.6116 -5.6116 -5.5204 -5.5204 -5.4922 -5.4922 -5.4122 -5.4122 -5.2686 -5.2686 -5.1494 -5.1494 -4.9802 -4.9802 -0.7198 -0.7198 -0.4620 -0.4620 5.2024 5.2024 5.7082 5.7082 5.7661 5.7661 6.1391 6.1391 6.3028 6.3028 6.6033 6.6033 6.9656 6.9656 8.1757 8.1757 8.4605 8.4605 8.5627 8.5627 8.6032 8.6032 9.1194 9.1194 k =-0.1227 0.3069 0.3305 ( 6729 PWs) bands (ev): -20.8431 -20.8431 -20.8237 -20.8237 -20.7006 -20.7006 -20.5250 -20.5250 -7.5470 -7.5470 -7.5090 -7.5090 -7.4951 -7.4951 -7.1649 -7.1649 -5.7952 -5.7952 -5.6082 -5.6082 -5.5218 -5.5218 -5.4895 -5.4895 -5.4117 -5.4117 -5.2702 -5.2702 -5.1422 -5.1422 -4.9568 -4.9568 -0.7433 -0.7433 -0.4644 -0.4644 5.1890 5.1890 5.7614 5.7614 5.7869 5.7869 6.1542 6.1542 6.3395 6.3395 6.6339 6.6339 6.8992 6.8992 8.1520 8.1520 8.4627 8.4627 8.5259 8.5259 8.5651 8.5651 9.0479 9.0479 k =-0.1145 0.2864 0.3085 ( 6735 PWs) bands (ev): -20.8440 -20.8440 -20.8235 -20.8235 -20.7045 -20.7045 -20.5206 -20.5206 -7.5549 -7.5549 -7.5093 -7.5093 -7.4948 -7.4948 -7.1568 -7.1568 -5.8086 -5.8086 -5.6046 -5.6046 -5.5232 -5.5232 -5.4869 -5.4869 -5.4112 -5.4112 -5.2717 -5.2717 -5.1353 -5.1353 -4.9340 -4.9340 -0.7665 -0.7665 -0.4668 -0.4668 5.1693 5.1693 5.8085 5.8085 5.8229 5.8229 6.1699 6.1699 6.3758 6.3758 6.6651 6.6651 6.8371 6.8371 8.1296 8.1296 8.4575 8.4575 8.4693 8.4693 8.5603 8.5603 8.9794 8.9794 k =-0.1064 0.2660 0.2864 ( 6719 PWs) bands (ev): -20.8449 -20.8449 -20.8233 -20.8233 -20.7082 -20.7082 -20.5164 -20.5164 -7.5627 -7.5627 -7.5094 -7.5094 -7.4944 -7.4944 -7.1491 -7.1491 -5.8212 -5.8212 -5.6008 -5.6008 -5.5246 -5.5246 -5.4844 -5.4844 -5.4109 -5.4109 -5.2729 -5.2729 -5.1285 -5.1285 -4.9121 -4.9121 -0.7892 -0.7892 -0.4692 -0.4692 5.1455 5.1455 5.8331 5.8331 5.8876 5.8876 6.1861 6.1861 6.4103 6.4103 6.6964 6.6964 6.7810 6.7810 8.1089 8.1089 8.3921 8.3921 8.4775 8.4775 8.5573 8.5573 8.9141 8.9141 k =-0.0982 0.2455 0.2644 ( 6729 PWs) bands (ev): -20.8457 -20.8457 -20.8232 -20.8232 -20.7116 -20.7116 -20.5124 -20.5124 -7.5701 -7.5701 -7.5093 -7.5093 -7.4940 -7.4940 -7.1421 -7.1421 -5.8330 -5.8330 -5.5969 -5.5969 -5.5258 -5.5258 -5.4822 -5.4822 -5.4107 -5.4107 -5.2740 -5.2740 -5.1220 -5.1220 -4.8911 -4.8911 -0.8112 -0.8112 -0.4716 -0.4716 5.1194 5.1194 5.8584 5.8584 5.9552 5.9552 6.2033 6.2033 6.4409 6.4409 6.7189 6.7189 6.7415 6.7415 8.0904 8.0904 8.3287 8.3287 8.4893 8.4893 8.5548 8.5548 8.8519 8.8519 k =-0.0900 0.2250 0.2424 ( 6725 PWs) bands (ev): -20.8466 -20.8466 -20.8230 -20.8230 -20.7147 -20.7147 -20.5088 -20.5088 -7.5771 -7.5771 -7.5090 -7.5090 -7.4936 -7.4936 -7.1356 -7.1356 -5.8439 -5.8439 -5.5930 -5.5930 -5.5270 -5.5270 -5.4801 -5.4801 -5.4107 -5.4107 -5.2749 -5.2749 -5.1158 -5.1158 -4.8713 -4.8713 -0.8323 -0.8323 -0.4740 -0.4740 5.0923 5.0923 5.8844 5.8844 6.0224 6.0224 6.2218 6.2218 6.4641 6.4641 6.6907 6.6907 6.7640 6.7640 8.0745 8.0745 8.2684 8.2684 8.5037 8.5037 8.5529 8.5529 8.7928 8.7928 k =-0.0818 0.2046 0.2203 ( 6741 PWs) bands (ev): -20.8473 -20.8473 -20.8229 -20.8229 -20.7176 -20.7176 -20.5054 -20.5054 -7.5836 -7.5836 -7.5087 -7.5087 -7.4933 -7.4933 -7.1296 -7.1296 -5.8540 -5.8540 -5.5891 -5.5891 -5.5281 -5.5281 -5.4783 -5.4783 -5.4107 -5.4107 -5.2756 -5.2756 -5.1099 -5.1099 -4.8527 -4.8527 -0.8523 -0.8523 -0.4764 -0.4764 5.0654 5.0654 5.9108 5.9108 6.0858 6.0858 6.2426 6.2426 6.4742 6.4742 6.6715 6.6715 6.7949 6.7949 8.0615 8.0615 8.2115 8.2115 8.5201 8.5202 8.5514 8.5514 8.7368 8.7368 k =-0.0736 0.1841 0.1983 ( 6741 PWs) bands (ev): -20.8481 -20.8481 -20.8228 -20.8228 -20.7202 -20.7202 -20.5023 -20.5023 -7.5895 -7.5895 -7.5083 -7.5083 -7.4930 -7.4930 -7.1242 -7.1242 -5.8632 -5.8632 -5.5852 -5.5852 -5.5292 -5.5292 -5.4767 -5.4767 -5.4109 -5.4109 -5.2761 -5.2761 -5.1044 -5.1044 -4.8355 -4.8355 -0.8710 -0.8710 -0.4786 -0.4786 5.0394 5.0394 5.9372 5.9372 6.1416 6.1416 6.2666 6.2666 6.4679 6.4679 6.6739 6.6739 6.8259 6.8259 8.0516 8.0516 8.1582 8.1582 8.5361 8.5361 8.5521 8.5521 8.6837 8.6837 k =-0.0655 0.1637 0.1763 ( 6745 PWs) bands (ev): -20.8488 -20.8488 -20.8227 -20.8227 -20.7225 -20.7225 -20.4995 -20.4995 -7.5949 -7.5949 -7.5079 -7.5079 -7.4928 -7.4928 -7.1194 -7.1194 -5.8715 -5.8715 -5.5815 -5.5815 -5.5301 -5.5301 -5.4754 -5.4754 -5.4110 -5.4110 -5.2766 -5.2766 -5.0994 -5.0994 -4.8197 -4.8197 -0.8882 -0.8882 -0.4807 -0.4807 5.0148 5.0148 5.9629 5.9629 6.1866 6.1866 6.2934 6.2934 6.4508 6.4508 6.6947 6.6947 6.8566 6.8566 8.0448 8.0448 8.1090 8.1090 8.5415 8.5415 8.5636 8.5636 8.6340 8.6340 k =-0.0573 0.1432 0.1542 ( 6741 PWs) bands (ev): -20.8494 -20.8494 -20.8226 -20.8226 -20.7246 -20.7246 -20.4971 -20.4971 -7.5997 -7.5997 -7.5075 -7.5075 -7.4926 -7.4926 -7.1151 -7.1151 -5.8788 -5.8788 -5.5779 -5.5779 -5.5310 -5.5310 -5.4743 -5.4743 -5.4112 -5.4112 -5.2769 -5.2769 -5.0948 -5.0948 -4.8056 -4.8056 -0.9038 -0.9038 -0.4826 -0.4826 4.9923 4.9923 5.9875 5.9875 6.2211 6.2211 6.3180 6.3180 6.4323 6.4323 6.7267 6.7267 6.8874 6.8874 8.0408 8.0408 8.0640 8.0640 8.5367 8.5367 8.5821 8.5821 8.5900 8.5900 k =-0.0491 0.1228 0.1322 ( 6729 PWs) bands (ev): -20.8499 -20.8499 -20.8225 -20.8225 -20.7263 -20.7263 -20.4949 -20.4949 -7.6039 -7.6039 -7.5071 -7.5071 -7.4925 -7.4925 -7.1115 -7.1115 -5.8851 -5.8851 -5.5746 -5.5746 -5.5317 -5.5317 -5.4735 -5.4735 -5.4114 -5.4114 -5.2771 -5.2771 -5.0907 -5.0907 -4.7932 -4.7932 -0.9176 -0.9176 -0.4843 -0.4843 4.9721 4.9721 6.0103 6.0103 6.2485 6.2485 6.3315 6.3315 6.4211 6.4211 6.7645 6.7645 6.9187 6.9187 8.0235 8.0235 8.0397 8.0397 8.5169 8.5169 8.5614 8.5614 8.6012 8.6012 k =-0.0409 0.1023 0.1102 ( 6721 PWs) bands (ev): -20.8504 -20.8504 -20.8224 -20.8224 -20.7278 -20.7278 -20.4931 -20.4931 -7.6074 -7.6074 -7.5067 -7.5067 -7.4924 -7.4924 -7.1084 -7.1084 -5.8905 -5.8905 -5.5717 -5.5717 -5.5323 -5.5323 -5.4729 -5.4729 -5.4116 -5.4116 -5.2773 -5.2773 -5.0872 -5.0872 -4.7825 -4.7825 -0.9295 -0.9295 -0.4859 -0.4859 4.9545 4.9545 6.0305 6.0305 6.2723 6.2723 6.3298 6.3298 6.4197 6.4197 6.8036 6.8036 6.9511 6.9511 7.9882 7.9882 8.0402 8.0402 8.4798 8.4798 8.5524 8.5524 8.6179 8.6179 k =-0.0327 0.0818 0.0881 ( 6717 PWs) bands (ev): -20.8508 -20.8508 -20.8224 -20.8224 -20.7291 -20.7291 -20.4915 -20.4915 -7.6104 -7.6104 -7.5064 -7.5064 -7.4923 -7.4923 -7.1058 -7.1058 -5.8949 -5.8949 -5.5692 -5.5692 -5.5329 -5.5329 -5.4725 -5.4725 -5.4118 -5.4118 -5.2774 -5.2774 -5.0843 -5.0843 -4.7736 -4.7736 -0.9394 -0.9394 -0.4871 -0.4871 4.9398 4.9398 6.0478 6.0478 6.2934 6.2934 6.3207 6.3207 6.4210 6.4210 6.8394 6.8394 6.9848 6.9848 7.9583 7.9583 8.0420 8.0420 8.4400 8.4400 8.5490 8.5490 8.6306 8.6306 k =-0.0245 0.0614 0.0661 ( 6705 PWs) bands (ev): -20.8511 -20.8511 -20.8223 -20.8223 -20.7300 -20.7300 -20.4904 -20.4904 -7.6126 -7.6126 -7.5061 -7.5061 -7.4923 -7.4923 -7.1038 -7.1038 -5.8984 -5.8984 -5.5671 -5.5671 -5.5333 -5.5333 -5.4722 -5.4722 -5.4120 -5.4120 -5.2774 -5.2774 -5.0820 -5.0820 -4.7667 -4.7667 -0.9472 -0.9472 -0.4881 -0.4881 4.9282 4.9282 6.0615 6.0615 6.3019 6.3019 6.3225 6.3225 6.4188 6.4188 6.8684 6.8684 7.0180 7.0180 7.9344 7.9344 8.0445 8.0445 8.4035 8.4035 8.5471 8.5471 8.6381 8.6382 k =-0.0164 0.0409 0.0441 ( 6707 PWs) bands (ev): -20.8514 -20.8514 -20.8223 -20.8223 -20.7307 -20.7307 -20.4895 -20.4895 -7.6143 -7.6143 -7.5059 -7.5059 -7.4923 -7.4923 -7.1024 -7.1024 -5.9009 -5.9009 -5.5656 -5.5656 -5.5336 -5.5336 -5.4721 -5.4721 -5.4121 -5.4121 -5.2775 -5.2775 -5.0803 -5.0803 -4.7617 -4.7617 -0.9529 -0.9529 -0.4889 -0.4889 4.9199 4.9199 6.0714 6.0714 6.2950 6.2950 6.3414 6.3414 6.4115 6.4115 6.8891 6.8891 7.0470 7.0470 7.9168 7.9168 8.0468 8.0468 8.3738 8.3738 8.5458 8.5458 8.6411 8.6411 k =-0.0082 0.0205 0.0220 ( 6699 PWs) bands (ev): -20.8515 -20.8515 -20.8223 -20.8223 -20.7311 -20.7311 -20.4890 -20.4890 -7.6153 -7.6153 -7.5058 -7.5058 -7.4922 -7.4922 -7.1016 -7.1016 -5.9023 -5.9023 -5.5647 -5.5647 -5.5338 -5.5338 -5.4720 -5.4720 -5.4121 -5.4121 -5.2775 -5.2775 -5.0793 -5.0793 -4.7587 -4.7587 -0.9563 -0.9563 -0.4893 -0.4893 4.9148 4.9148 6.0773 6.0773 6.2894 6.2894 6.3607 6.3607 6.3999 6.3999 6.9013 6.9013 7.0670 7.0670 7.9060 7.9060 8.0484 8.0484 8.3542 8.3542 8.5451 8.5451 8.6415 8.6415 k = 0.0000 0.0000 0.0000 ( 6691 PWs) bands (ev): -20.8516 -20.8516 -20.8223 -20.8223 -20.7312 -20.7312 -20.4888 -20.4888 -7.6156 -7.6156 -7.5057 -7.5057 -7.4922 -7.4922 -7.1013 -7.1013 -5.9028 -5.9028 -5.5644 -5.5644 -5.5338 -5.5338 -5.4720 -5.4720 -5.4122 -5.4122 -5.2775 -5.2775 -5.0790 -5.0790 -4.7577 -4.7577 -0.9574 -0.9574 -0.4894 -0.4894 4.9131 4.9131 6.0793 6.0793 6.2875 6.2875 6.3730 6.3730 6.3903 6.3903 6.9053 6.9053 7.0741 7.0741 7.9024 7.9024 8.0490 8.0490 8.3473 8.3473 8.5448 8.5448 8.6415 8.6415 k = 0.0000 0.0000 0.0000 ( 6691 PWs) bands (ev): -20.8516 -20.8516 -20.8223 -20.8223 -20.7312 -20.7312 -20.4888 -20.4888 -7.6156 -7.6156 -7.5057 -7.5057 -7.4922 -7.4922 -7.1013 -7.1013 -5.9028 -5.9028 -5.5644 -5.5644 -5.5338 -5.5338 -5.4720 -5.4720 -5.4122 -5.4122 -5.2775 -5.2775 -5.0790 -5.0790 -4.7577 -4.7577 -0.9574 -0.9574 -0.4894 -0.4894 4.9131 4.9131 6.0793 6.0793 6.2875 6.2875 6.3730 6.3730 6.3903 6.3903 6.9053 6.9053 7.0741 7.0741 7.9024 7.9024 8.0490 8.0490 8.3473 8.3473 8.5448 8.5448 8.6415 8.6415 k = 0.0278 0.0111 0.0000 ( 6699 PWs) bands (ev): -20.8515 -20.8515 -20.8223 -20.8223 -20.7312 -20.7312 -20.4888 -20.4888 -7.6156 -7.6156 -7.5069 -7.5069 -7.4909 -7.4909 -7.1014 -7.1014 -5.9029 -5.9029 -5.5653 -5.5653 -5.5325 -5.5325 -5.4722 -5.4722 -5.4119 -5.4119 -5.2776 -5.2776 -5.0794 -5.0794 -4.7577 -4.7577 -0.9566 -0.9566 -0.4900 -0.4900 4.9144 4.9144 6.0783 6.0783 6.2682 6.2682 6.3717 6.3717 6.4077 6.4077 6.9066 6.9066 7.0755 7.0755 7.9026 7.9026 8.0395 8.0395 8.3591 8.3591 8.5397 8.5397 8.6448 8.6448 k = 0.0556 0.0222 0.0000 ( 6723 PWs) bands (ev): -20.8514 -20.8514 -20.8225 -20.8225 -20.7312 -20.7312 -20.4888 -20.4888 -7.6156 -7.6156 -7.5097 -7.5097 -7.4879 -7.4879 -7.1016 -7.1016 -5.9029 -5.9029 -5.5678 -5.5678 -5.5290 -5.5290 -5.4727 -5.4727 -5.4110 -5.4110 -5.2779 -5.2779 -5.0808 -5.0808 -4.7577 -4.7577 -0.9541 -0.9541 -0.4919 -0.4919 4.9181 4.9181 6.0751 6.0751 6.2289 6.2289 6.3677 6.3677 6.4415 6.4415 6.9101 6.9101 7.0797 7.0797 7.9030 7.9030 8.0149 8.0149 8.3908 8.3908 8.5250 8.5250 8.6548 8.6548 k = 0.0833 0.0333 0.0000 ( 6727 PWs) bands (ev): -20.8511 -20.8511 -20.8229 -20.8229 -20.7311 -20.7311 -20.4888 -20.4888 -7.6156 -7.6156 -7.5130 -7.5130 -7.4841 -7.4841 -7.1020 -7.1020 -5.9031 -5.9031 -5.5712 -5.5712 -5.5240 -5.5240 -5.4736 -5.4736 -5.4096 -5.4096 -5.2784 -5.2784 -5.0830 -5.0830 -4.7577 -4.7577 -0.9500 -0.9500 -0.4949 -0.4949 4.9241 4.9241 6.0700 6.0700 6.1850 6.1850 6.3613 6.3613 6.4766 6.4766 6.9151 6.9151 7.0864 7.0864 7.9036 7.9036 7.9817 7.9817 8.4355 8.4355 8.5027 8.5027 8.6715 8.6715 k = 0.1111 0.0444 0.0000 ( 6727 PWs) bands (ev): -20.8508 -20.8508 -20.8233 -20.8233 -20.7310 -20.7310 -20.4888 -20.4888 -7.6156 -7.6156 -7.5164 -7.5164 -7.4801 -7.4801 -7.1026 -7.1026 -5.9032 -5.9032 -5.5748 -5.5748 -5.5181 -5.5181 -5.4747 -5.4747 -5.4077 -5.4077 -5.2790 -5.2790 -5.0860 -5.0860 -4.7578 -4.7578 -0.9444 -0.9444 -0.4990 -0.4990 4.9321 4.9321 6.0630 6.0630 6.1416 6.1416 6.3528 6.3528 6.5086 6.5086 6.9205 6.9205 7.0952 7.0952 7.9045 7.9045 7.9449 7.9449 8.4760 8.4760 8.4882 8.4882 8.6949 8.6949 k = 0.1389 0.0555-0.0000 ( 6730 PWs) bands (ev): -20.8503 -20.8503 -20.8239 -20.8239 -20.7309 -20.7309 -20.4888 -20.4888 -7.6156 -7.6156 -7.5198 -7.5198 -7.4759 -7.4759 -7.1033 -7.1033 -5.9034 -5.9034 -5.5784 -5.5784 -5.5116 -5.5116 -5.4760 -5.4760 -5.4055 -5.4055 -5.2799 -5.2799 -5.0898 -5.0898 -4.7579 -4.7579 -0.9373 -0.9373 -0.5043 -0.5043 4.9416 4.9416 6.0537 6.0537 6.1015 6.1015 6.3426 6.3426 6.5359 6.5359 6.9249 6.9249 7.1058 7.1058 7.9036 7.9036 7.9093 7.9093 8.4480 8.4480 8.5459 8.5459 8.7246 8.7246 k = 0.1667 0.0667-0.0000 ( 6726 PWs) bands (ev): -20.8498 -20.8498 -20.8245 -20.8245 -20.7307 -20.7307 -20.4888 -20.4888 -7.6156 -7.6156 -7.5230 -7.5230 -7.4718 -7.4718 -7.1041 -7.1041 -5.9037 -5.9037 -5.5819 -5.5819 -5.5047 -5.5047 -5.4775 -5.4775 -5.4030 -5.4030 -5.2809 -5.2809 -5.0943 -5.0943 -4.7580 -4.7580 -0.9289 -0.9289 -0.5106 -0.5106 4.9523 4.9523 6.0407 6.0407 6.0683 6.0683 6.3312 6.3312 6.5577 6.5577 6.9268 6.9268 7.1176 7.1176 7.8702 7.8702 7.9073 7.9073 8.4218 8.4218 8.6066 8.6066 8.7606 8.7606 k = 0.1944 0.0778 0.0000 ( 6718 PWs) bands (ev): -20.8492 -20.8492 -20.8253 -20.8253 -20.7306 -20.7306 -20.4888 -20.4888 -7.6156 -7.6156 -7.5261 -7.5261 -7.4677 -7.4677 -7.1050 -7.1050 -5.9039 -5.9039 -5.5851 -5.5851 -5.4976 -5.4976 -5.4790 -5.4790 -5.4002 -5.4002 -5.2820 -5.2820 -5.0993 -5.0993 -4.7581 -4.7581 -0.9193 -0.9193 -0.5178 -0.5178 4.9635 4.9635 6.0204 6.0204 6.0471 6.0471 6.3191 6.3191 6.5733 6.5733 6.9252 6.9252 7.1303 7.1303 7.8352 7.8352 7.9087 7.9087 8.4000 8.4000 8.6691 8.6691 8.8026 8.8026 k = 0.2222 0.0889 0.0000 ( 6722 PWs) bands (ev): -20.8485 -20.8485 -20.8262 -20.8262 -20.7304 -20.7304 -20.4888 -20.4888 -7.6157 -7.6157 -7.5289 -7.5289 -7.4637 -7.4637 -7.1060 -7.1060 -5.9042 -5.9042 -5.5881 -5.5881 -5.4903 -5.4903 -5.4805 -5.4805 -5.3973 -5.3973 -5.2832 -5.2832 -5.1047 -5.1047 -4.7582 -4.7582 -0.9087 -0.9087 -0.5259 -0.5259 4.9746 4.9746 5.9983 5.9983 6.0338 6.0338 6.3066 6.3066 6.5821 6.5821 6.9196 6.9196 7.1433 7.1433 7.8023 7.8023 7.9102 7.9102 8.3842 8.3842 8.7322 8.7322 8.8502 8.8502 k = 0.2500 0.1000 0.0000 ( 6730 PWs) bands (ev): -20.8477 -20.8477 -20.8271 -20.8271 -20.7302 -20.7302 -20.4888 -20.4888 -7.6157 -7.6157 -7.5315 -7.5315 -7.4599 -7.4599 -7.1070 -7.1070 -5.9045 -5.9045 -5.5908 -5.5908 -5.4831 -5.4831 -5.4820 -5.4820 -5.3944 -5.3944 -5.2846 -5.2846 -5.1105 -5.1105 -4.7583 -4.7583 -0.8973 -0.8973 -0.5347 -0.5347 4.9850 4.9850 5.9816 5.9816 6.0227 6.0227 6.2941 6.2941 6.5833 6.5833 6.9108 6.9108 7.1562 7.1562 7.7720 7.7720 7.9119 7.9119 8.3750 8.3750 8.7952 8.7952 8.9031 8.9031 k = 0.2778 0.1111-0.0000 ( 6734 PWs) bands (ev): -20.8469 -20.8469 -20.8281 -20.8281 -20.7301 -20.7301 -20.4888 -20.4888 -7.6157 -7.6157 -7.5339 -7.5339 -7.4564 -7.4564 -7.1081 -7.1081 -5.9048 -5.9048 -5.5932 -5.5932 -5.4834 -5.4834 -5.4760 -5.4760 -5.3915 -5.3915 -5.2860 -5.2860 -5.1164 -5.1164 -4.7584 -4.7584 -0.8853 -0.8853 -0.5441 -0.5441 4.9942 4.9942 5.9724 5.9724 6.0125 6.0125 6.2821 6.2821 6.5759 6.5759 6.9000 6.9000 7.1686 7.1686 7.7444 7.7444 7.9135 7.9135 8.3723 8.3723 8.8568 8.8568 8.9608 8.9608 k = 0.3056 0.1222-0.0000 ( 6758 PWs) bands (ev): -20.8460 -20.8460 -20.8292 -20.8292 -20.7299 -20.7299 -20.4889 -20.4889 -7.6157 -7.6157 -7.5361 -7.5361 -7.4531 -7.4531 -7.1091 -7.1091 -5.9051 -5.9051 -5.5954 -5.5954 -5.4847 -5.4847 -5.4692 -5.4692 -5.3887 -5.3887 -5.2874 -5.2874 -5.1223 -5.1223 -4.7585 -4.7585 -0.8731 -0.8731 -0.5539 -0.5539 5.0017 5.0017 5.9714 5.9714 6.0031 6.0031 6.2708 6.2708 6.5592 6.5592 6.8891 6.8891 7.1803 7.1803 7.7199 7.7199 7.9151 7.9151 8.3752 8.3752 8.9160 8.9160 9.0229 9.0229 k = 0.3333 0.1333-0.0000 ( 6750 PWs) bands (ev): -20.8450 -20.8450 -20.8304 -20.8304 -20.7298 -20.7298 -20.4888 -20.4888 -7.6157 -7.6157 -7.5379 -7.5379 -7.4502 -7.4502 -7.1100 -7.1100 -5.9054 -5.9054 -5.5972 -5.5972 -5.4858 -5.4858 -5.4628 -5.4628 -5.3861 -5.3861 -5.2887 -5.2887 -5.1280 -5.1280 -4.7586 -4.7586 -0.8609 -0.8609 -0.5637 -0.5637 5.0075 5.0075 5.9789 5.9789 5.9945 5.9945 6.2606 6.2606 6.5333 6.5333 6.8796 6.8796 7.1909 7.1909 7.6984 7.6984 7.9166 7.9166 8.3822 8.3822 8.9717 8.9717 9.0886 9.0886 k = 0.3611 0.1444-0.0000 ( 6758 PWs) bands (ev): -20.8439 -20.8439 -20.8316 -20.8316 -20.7296 -20.7296 -20.4888 -20.4888 -7.6157 -7.6157 -7.5395 -7.5395 -7.4476 -7.4476 -7.1109 -7.1109 -5.9056 -5.9056 -5.5988 -5.5988 -5.4868 -5.4868 -5.4570 -5.4570 -5.3837 -5.3837 -5.2900 -5.2900 -5.1333 -5.1333 -4.7587 -4.7587 -0.8491 -0.8491 -0.5733 -0.5733 5.0115 5.0115 5.9870 5.9870 5.9942 5.9942 6.2515 6.2515 6.4994 6.4994 6.8724 6.8724 7.2003 7.2003 7.6801 7.6801 7.9180 7.9180 8.3918 8.3918 9.0225 9.0225 9.1571 9.1571 k = 0.3889 0.1555 0.0000 ( 6738 PWs) bands (ev): -20.8428 -20.8428 -20.8328 -20.8328 -20.7295 -20.7295 -20.4888 -20.4888 -7.6157 -7.6157 -7.5408 -7.5408 -7.4454 -7.4454 -7.1117 -7.1117 -5.9058 -5.9058 -5.6000 -5.6000 -5.4877 -5.4877 -5.4520 -5.4520 -5.3816 -5.3816 -5.2912 -5.2912 -5.1380 -5.1380 -4.7588 -4.7588 -0.8383 -0.8383 -0.5823 -0.5823 5.0140 5.0140 5.9806 5.9806 6.0162 6.0162 6.2438 6.2438 6.4599 6.4599 6.8675 6.8675 7.2081 7.2081 7.6651 7.6651 7.9192 7.9192 8.4024 8.4024 9.0669 9.0669 9.2268 9.2268 k = 0.4167 0.1666 0.0000 ( 6738 PWs) bands (ev): -20.8417 -20.8417 -20.8340 -20.8340 -20.7294 -20.7294 -20.4888 -20.4888 -7.6157 -7.6157 -7.5418 -7.5418 -7.4437 -7.4437 -7.1123 -7.1123 -5.9060 -5.9060 -5.6010 -5.6010 -5.4883 -5.4883 -5.4478 -5.4478 -5.3799 -5.3799 -5.2921 -5.2921 -5.1418 -5.1418 -4.7588 -4.7588 -0.8289 -0.8289 -0.5902 -0.5902 5.0154 5.0154 5.9755 5.9755 6.0430 6.0430 6.2378 6.2378 6.4181 6.4181 6.8644 6.8644 7.2144 7.2144 7.6533 7.6533 7.9202 7.9202 8.4124 8.4124 9.1034 9.1034 9.2951 9.2951 k = 0.4444 0.1777 0.0000 ( 6746 PWs) bands (ev): -20.8405 -20.8405 -20.8353 -20.8353 -20.7293 -20.7293 -20.4888 -20.4888 -7.6158 -7.6158 -7.5426 -7.5426 -7.4425 -7.4425 -7.1127 -7.1127 -5.9061 -5.9061 -5.6017 -5.6017 -5.4888 -5.4888 -5.4448 -5.4448 -5.3786 -5.3786 -5.2929 -5.2929 -5.1448 -5.1448 -4.7589 -4.7589 -0.8216 -0.8216 -0.5964 -0.5964 5.0161 5.0161 5.9718 5.9718 6.0711 6.0711 6.2333 6.2333 6.3784 6.3784 6.8626 6.8626 7.2190 7.2190 7.6449 7.6449 7.9209 7.9209 8.4206 8.4206 9.1308 9.1308 9.3574 9.3574 k = 0.4722 0.1888 0.0000 ( 6770 PWs) bands (ev): -20.8394 -20.8394 -20.8364 -20.8364 -20.7293 -20.7293 -20.4889 -20.4889 -7.6158 -7.6158 -7.5430 -7.5430 -7.4417 -7.4417 -7.1130 -7.1130 -5.9062 -5.9062 -5.6021 -5.6021 -5.4891 -5.4891 -5.4429 -5.4429 -5.3779 -5.3779 -5.2933 -5.2933 -5.1466 -5.1466 -4.7589 -4.7589 -0.8169 -0.8169 -0.6004 -0.6004 5.0163 5.0163 5.9696 5.9696 6.0944 6.0944 6.2306 6.2306 6.3478 6.3478 6.8617 6.8617 7.2218 7.2218 7.6398 7.6398 7.9213 7.9213 8.4259 8.4259 9.1477 9.1477 9.4046 9.4046 k = 0.5000 0.2000 0.0000 ( 6774 PWs) bands (ev): -20.8387 -20.8387 -20.8371 -20.8371 -20.7293 -20.7293 -20.4889 -20.4889 -7.6158 -7.6158 -7.5432 -7.5432 -7.4415 -7.4415 -7.1131 -7.1131 -5.9062 -5.9062 -5.6022 -5.6022 -5.4892 -5.4892 -5.4422 -5.4422 -5.3776 -5.3776 -5.2935 -5.2935 -5.1472 -5.1472 -4.7589 -4.7589 -0.8153 -0.8153 -0.6018 -0.6018 5.0164 5.0164 5.9688 5.9688 6.1040 6.1040 6.2297 6.2297 6.3357 6.3357 6.8615 6.8615 7.2227 7.2227 7.6381 7.6381 7.9215 7.9215 8.4277 8.4277 9.1534 9.1534 9.4231 9.4231 k = 0.5000 0.2000 0.0000 ( 6774 PWs) bands (ev): -20.8387 -20.8387 -20.8371 -20.8371 -20.7293 -20.7293 -20.4889 -20.4889 -7.6158 -7.6158 -7.5432 -7.5432 -7.4415 -7.4415 -7.1131 -7.1131 -5.9062 -5.9062 -5.6022 -5.6022 -5.4892 -5.4892 -5.4422 -5.4422 -5.3776 -5.3776 -5.2935 -5.2935 -5.1472 -5.1472 -4.7589 -4.7589 -0.8153 -0.8153 -0.6018 -0.6018 5.0164 5.0164 5.9688 5.9688 6.1040 6.1040 6.2297 6.2297 6.3357 6.3357 6.8615 6.8615 7.2227 7.2227 7.6381 7.6381 7.9215 7.9215 8.4277 8.4277 9.1534 9.1534 9.4231 9.4231 k = 0.4918 0.2205 0.0221 ( 6770 PWs) bands (ev): -20.8387 -20.8387 -20.8371 -20.8371 -20.7292 -20.7292 -20.4890 -20.4890 -7.6154 -7.6154 -7.5431 -7.5431 -7.4416 -7.4416 -7.1134 -7.1134 -5.9057 -5.9057 -5.6022 -5.6022 -5.4895 -5.4895 -5.4420 -5.4420 -5.3782 -5.3782 -5.2933 -5.2933 -5.1473 -5.1473 -4.7599 -4.7599 -0.8144 -0.8144 -0.6014 -0.6014 5.0181 5.0181 5.9548 5.9548 6.1015 6.1015 6.2450 6.2450 6.3374 6.3374 6.8555 6.8555 7.2117 7.2117 7.6506 7.6506 7.9253 7.9253 8.4297 8.4297 9.1534 9.1534 9.4224 9.4224 k = 0.4836 0.2410 0.0442 ( 6762 PWs) bands (ev): -20.8386 -20.8386 -20.8370 -20.8370 -20.7288 -20.7288 -20.4895 -20.4895 -7.6144 -7.6144 -7.5430 -7.5430 -7.4419 -7.4419 -7.1142 -7.1142 -5.9042 -5.9042 -5.6021 -5.6021 -5.4905 -5.4905 -5.4415 -5.4415 -5.3801 -5.3801 -5.2926 -5.2926 -5.1475 -5.1475 -4.7628 -4.7628 -0.8116 -0.8116 -0.6004 -0.6004 5.0231 5.0231 5.9187 5.9187 6.0970 6.0970 6.2817 6.2817 6.3422 6.3422 6.8379 6.8379 7.1828 7.1828 7.6841 7.6841 7.9367 7.9367 8.4356 8.4356 9.1528 9.1528 9.4201 9.4201 k = 0.4754 0.2616 0.0664 ( 6758 PWs) bands (ev): -20.8385 -20.8385 -20.8368 -20.8368 -20.7281 -20.7281 -20.4904 -20.4904 -7.6127 -7.6127 -7.5427 -7.5427 -7.4424 -7.4424 -7.1156 -7.1156 -5.9017 -5.9017 -5.6020 -5.6020 -5.4920 -5.4920 -5.4406 -5.4406 -5.3830 -5.3830 -5.2917 -5.2917 -5.1478 -5.1478 -4.7676 -4.7676 -0.8070 -0.8070 -0.5986 -0.5986 5.0314 5.0314 5.8710 5.8710 6.0925 6.0925 6.3269 6.3269 6.3496 6.3496 6.8102 6.8102 7.1441 7.1441 7.7311 7.7311 7.9553 7.9553 8.4450 8.4450 9.1503 9.1503 9.4157 9.4157 k = 0.4671 0.2821 0.0885 ( 6752 PWs) bands (ev): -20.8384 -20.8384 -20.8366 -20.8366 -20.7272 -20.7272 -20.4916 -20.4916 -7.6104 -7.6104 -7.5424 -7.5424 -7.4432 -7.4432 -7.1176 -7.1176 -5.8981 -5.8981 -5.6017 -5.6017 -5.4941 -5.4941 -5.4395 -5.4395 -5.3871 -5.3871 -5.2904 -5.2904 -5.1484 -5.1484 -4.7744 -4.7744 -0.8007 -0.8007 -0.5962 -0.5962 5.0428 5.0428 5.8182 5.8182 6.0877 6.0877 6.3578 6.3578 6.3733 6.3733 6.7755 6.7755 7.1019 7.1019 7.7855 7.7855 7.9806 7.9806 8.4572 8.4572 9.1434 9.1434 9.4089 9.4089 k = 0.4589 0.3027 0.1106 ( 6748 PWs) bands (ev): -20.8383 -20.8383 -20.8363 -20.8363 -20.7261 -20.7261 -20.4931 -20.4931 -7.6074 -7.6074 -7.5420 -7.5420 -7.4441 -7.4441 -7.1201 -7.1201 -5.8936 -5.8936 -5.6015 -5.6015 -5.4965 -5.4965 -5.4383 -5.4383 -5.3919 -5.3919 -5.2890 -5.2890 -5.1490 -5.1490 -4.7829 -4.7829 -0.7926 -0.7926 -0.5931 -0.5931 5.0572 5.0572 5.7639 5.7639 6.0824 6.0824 6.3641 6.3641 6.4157 6.4157 6.7398 6.7398 7.0596 7.0596 7.8435 7.8435 8.0122 8.0122 8.4715 8.4715 9.1293 9.1293 9.4002 9.4002 k = 0.4507 0.3232 0.1327 ( 6740 PWs) bands (ev): -20.8381 -20.8381 -20.8360 -20.8360 -20.7247 -20.7247 -20.4949 -20.4949 -7.6038 -7.6038 -7.5414 -7.5414 -7.4453 -7.4453 -7.1232 -7.1232 -5.8881 -5.8881 -5.6011 -5.6011 -5.4993 -5.4993 -5.4369 -5.4369 -5.3976 -5.3976 -5.2875 -5.2875 -5.1499 -5.1499 -4.7933 -4.7933 -0.7830 -0.7830 -0.5894 -0.5894 5.0744 5.0744 5.7098 5.7098 6.0764 6.0764 6.3616 6.3616 6.4522 6.4522 6.7121 6.7121 7.0187 7.0187 7.9034 7.9034 8.0494 8.0494 8.4869 8.4869 9.1064 9.1064 9.3894 9.3894 k = 0.4425 0.3437 0.1549 ( 6734 PWs) bands (ev): -20.8379 -20.8379 -20.8356 -20.8356 -20.7230 -20.7230 -20.4971 -20.4971 -7.5995 -7.5995 -7.5408 -7.5408 -7.4466 -7.4466 -7.1268 -7.1268 -5.8816 -5.8816 -5.6007 -5.6007 -5.5023 -5.5023 -5.4356 -5.4356 -5.4039 -5.4039 -5.2860 -5.2860 -5.1508 -5.1508 -4.8054 -4.8054 -0.7718 -0.7718 -0.5852 -0.5852 5.0939 5.0939 5.6572 5.6572 6.0696 6.0696 6.3417 6.3417 6.4833 6.4833 6.7009 6.7009 6.9798 6.9798 7.9641 7.9641 8.0917 8.0917 8.5028 8.5028 9.0758 9.0758 9.3723 9.3723 k = 0.4343 0.3643 0.1770 ( 6734 PWs) bands (ev): -20.8377 -20.8377 -20.8352 -20.8352 -20.7210 -20.7210 -20.4996 -20.4996 -7.5947 -7.5947 -7.5400 -7.5400 -7.4481 -7.4481 -7.1310 -7.1310 -5.8741 -5.8741 -5.6002 -5.6002 -5.5056 -5.5056 -5.4343 -5.4343 -5.4107 -5.4107 -5.2845 -5.2845 -5.1520 -5.1520 -4.8191 -4.8191 -0.7592 -0.7592 -0.5804 -0.5804 5.1155 5.1155 5.6066 5.6066 6.0620 6.0620 6.3006 6.3006 6.5127 6.5127 6.7069 6.7069 6.9431 6.9431 8.0252 8.0252 8.1387 8.1387 8.5182 8.5182 9.0406 9.0406 9.3443 9.3443 k = 0.4261 0.3848 0.1991 ( 6726 PWs) bands (ev): -20.8374 -20.8374 -20.8347 -20.8347 -20.7188 -20.7188 -20.5024 -20.5024 -7.5893 -7.5893 -7.5391 -7.5391 -7.4498 -7.4498 -7.1358 -7.1358 -5.8656 -5.8656 -5.5996 -5.5996 -5.5089 -5.5089 -5.4331 -5.4331 -5.4180 -5.4180 -5.2831 -5.2831 -5.1533 -5.1533 -4.8344 -4.8344 -0.7453 -0.7453 -0.5751 -0.5751 5.1385 5.1385 5.5588 5.5588 6.0537 6.0537 6.2427 6.2427 6.5426 6.5426 6.7234 6.7234 6.9093 6.9093 8.0863 8.0863 8.1899 8.1899 8.5328 8.5328 9.0044 9.0044 9.3108 9.3108 k = 0.4179 0.4054 0.2212 ( 6722 PWs) bands (ev): -20.8371 -20.8371 -20.8342 -20.8342 -20.7163 -20.7163 -20.5055 -20.5055 -7.5833 -7.5833 -7.5380 -7.5380 -7.4517 -7.4517 -7.1411 -7.1411 -5.8563 -5.8563 -5.5989 -5.5989 -5.5123 -5.5123 -5.4321 -5.4321 -5.4254 -5.4254 -5.2817 -5.2817 -5.1548 -5.1548 -4.8512 -4.8512 -0.7303 -0.7303 -0.5694 -0.5694 5.1623 5.1623 5.5142 5.5142 6.0447 6.0447 6.1753 6.1753 6.5716 6.5716 6.7442 6.7442 6.8795 6.8795 8.1470 8.1470 8.2452 8.2452 8.5467 8.5467 8.9696 8.9696 9.2769 9.2769 k = 0.4096 0.4259 0.2434 ( 6716 PWs) bands (ev): -20.8368 -20.8368 -20.8338 -20.8338 -20.7135 -20.7135 -20.5089 -20.5089 -7.5769 -7.5769 -7.5367 -7.5367 -7.4537 -7.4537 -7.1470 -7.1470 -5.8459 -5.8459 -5.5981 -5.5981 -5.5158 -5.5158 -5.4342 -5.4342 -5.4300 -5.4300 -5.2804 -5.2804 -5.1564 -5.1564 -4.8693 -4.8693 -0.7143 -0.7143 -0.5634 -0.5634 5.1860 5.1860 5.4733 5.4733 6.0346 6.0346 6.1042 6.1042 6.5954 6.5954 6.7678 6.7678 6.8551 6.8551 8.2065 8.2065 8.3042 8.3042 8.5605 8.5605 8.9377 8.9377 9.2448 9.2448 k = 0.4014 0.4465 0.2655 ( 6698 PWs) bands (ev): -20.8365 -20.8365 -20.8333 -20.8333 -20.7105 -20.7105 -20.5126 -20.5126 -7.5702 -7.5702 -7.5351 -7.5351 -7.4558 -7.4558 -7.1534 -7.1534 -5.8347 -5.8347 -5.5972 -5.5972 -5.5193 -5.5193 -5.4418 -5.4418 -5.4296 -5.4296 -5.2791 -5.2791 -5.1582 -5.1582 -4.8886 -4.8886 -0.6975 -0.6975 -0.5571 -0.5571 5.2080 5.2080 5.4367 5.4367 6.0157 6.0157 6.0410 6.0410 6.6078 6.6078 6.7968 6.7968 6.8367 6.8367 8.2631 8.2631 8.3668 8.3668 8.5759 8.5759 8.9094 8.9094 9.2150 9.2150 k = 0.3932 0.4670 0.2876 ( 6714 PWs) bands (ev): -20.8362 -20.8362 -20.8329 -20.8329 -20.7072 -20.7072 -20.5166 -20.5166 -7.5633 -7.5633 -7.5329 -7.5329 -7.4580 -7.4580 -7.1604 -7.1604 -5.8226 -5.8226 -5.5963 -5.5963 -5.5227 -5.5227 -5.4498 -5.4498 -5.4290 -5.4290 -5.2779 -5.2779 -5.1602 -5.1602 -4.9091 -4.9091 -0.6801 -0.6801 -0.5505 -0.5505 5.2267 5.2267 5.4053 5.4053 5.9556 5.9556 6.0212 6.0212 6.6052 6.6052 6.8218 6.8218 6.8360 6.8360 8.3143 8.3143 8.4329 8.4329 8.5958 8.5958 8.8845 8.8845 9.1876 9.1876 k = 0.3850 0.4875 0.3097 ( 6710 PWs) bands (ev): -20.8358 -20.8358 -20.8324 -20.8324 -20.7036 -20.7036 -20.5208 -20.5208 -7.5566 -7.5566 -7.5300 -7.5300 -7.4604 -7.4604 -7.1679 -7.1679 -5.8097 -5.8097 -5.5952 -5.5952 -5.5261 -5.5261 -5.4578 -5.4578 -5.4284 -5.4284 -5.2767 -5.2767 -5.1625 -5.1625 -4.9305 -4.9305 -0.6622 -0.6622 -0.5438 -0.5438 5.2395 5.2395 5.3798 5.3798 5.8909 5.8909 6.0110 6.0110 6.5898 6.5898 6.8097 6.8097 6.8834 6.8834 8.3566 8.3566 8.5022 8.5022 8.6241 8.6241 8.8628 8.8628 9.1624 9.1624 k = 0.3768 0.5081 0.3318 ( 6714 PWs) bands (ev): -20.8354 -20.8354 -20.8320 -20.8320 -20.6998 -20.6998 -20.5253 -20.5253 -7.5506 -7.5506 -7.5258 -7.5258 -7.4628 -7.4628 -7.1760 -7.1760 -5.7959 -5.7959 -5.5940 -5.5940 -5.5294 -5.5294 -5.4657 -5.4657 -5.4280 -5.4280 -5.2756 -5.2756 -5.1649 -5.1649 -4.9528 -4.9528 -0.6441 -0.6441 -0.5369 -0.5369 5.2442 5.2442 5.3601 5.3601 5.8333 5.8333 6.0021 6.0021 6.5662 6.5662 6.7954 6.7954 6.9389 6.9389 8.3871 8.3871 8.5744 8.5744 8.6640 8.6640 8.8436 8.8436 9.1392 9.1392 k = 0.3686 0.5286 0.3540 ( 6716 PWs) bands (ev): -20.8350 -20.8350 -20.8316 -20.8316 -20.6957 -20.6957 -20.5300 -20.5300 -7.5457 -7.5457 -7.5200 -7.5200 -7.4653 -7.4653 -7.1846 -7.1846 -5.7815 -5.7815 -5.5927 -5.5927 -5.5326 -5.5326 -5.4734 -5.4734 -5.4278 -5.4278 -5.2744 -5.2744 -5.1675 -5.1675 -4.9758 -4.9758 -0.6259 -0.6259 -0.5300 -0.5300 5.2410 5.2410 5.3436 5.3436 5.7862 5.7862 5.9941 5.9941 6.5381 6.5381 6.7779 6.7779 7.0003 7.0003 8.4061 8.4061 8.6491 8.6491 8.7155 8.7155 8.8266 8.8266 9.1177 9.1177 k = 0.3604 0.5492 0.3761 ( 6712 PWs) bands (ev): -20.8346 -20.8346 -20.8313 -20.8313 -20.6913 -20.6913 -20.5350 -20.5350 -7.5420 -7.5420 -7.5124 -7.5124 -7.4679 -7.4679 -7.1936 -7.1936 -5.7664 -5.7664 -5.5913 -5.5913 -5.5357 -5.5357 -5.4807 -5.4807 -5.4278 -5.4278 -5.2733 -5.2733 -5.1703 -5.1703 -4.9993 -4.9993 -0.6079 -0.6079 -0.5231 -0.5231 5.2326 5.2326 5.3249 5.3249 5.7524 5.7524 5.9870 5.9870 6.5078 6.5078 6.7568 6.7568 7.0661 7.0661 8.4160 8.4160 8.7241 8.7241 8.7750 8.7750 8.8142 8.8142 9.0974 9.0974 k = 0.3521 0.5697 0.3982 ( 6702 PWs) bands (ev): -20.8342 -20.8342 -20.8310 -20.8310 -20.6868 -20.6868 -20.5401 -20.5401 -7.5392 -7.5392 -7.5033 -7.5033 -7.4705 -7.4705 -7.2032 -7.2032 -5.7508 -5.7508 -5.5899 -5.5899 -5.5385 -5.5385 -5.4877 -5.4877 -5.4279 -5.4279 -5.2721 -5.2721 -5.1735 -5.1735 -5.0232 -5.0232 -0.5903 -0.5903 -0.5164 -0.5164 5.2225 5.2225 5.2994 5.2994 5.7329 5.7329 5.9811 5.9811 6.4767 6.4767 6.7323 6.7323 7.1352 7.1352 8.4202 8.4202 8.7744 8.7744 8.8203 8.8203 8.8494 8.8494 9.0780 9.0780 k = 0.3439 0.5902 0.4203 ( 6690 PWs) bands (ev): -20.8337 -20.8337 -20.8307 -20.8307 -20.6819 -20.6819 -20.5454 -20.5454 -7.5370 -7.5370 -7.4933 -7.4933 -7.4731 -7.4731 -7.2132 -7.2132 -5.7348 -5.7348 -5.5883 -5.5883 -5.5412 -5.5412 -5.4941 -5.4941 -5.4282 -5.4282 -5.2709 -5.2709 -5.1770 -5.1770 -5.0471 -5.0471 -0.5733 -0.5733 -0.5097 -0.5097 5.2133 5.2133 5.2665 5.2665 5.7260 5.7260 5.9767 5.9767 6.4455 6.4455 6.7050 6.7050 7.2067 7.2067 8.4211 8.4211 8.7664 8.7664 8.8933 8.8933 8.9203 8.9203 9.0593 9.0593 k = 0.3357 0.6108 0.4425 ( 6688 PWs) bands (ev): -20.8333 -20.8333 -20.8305 -20.8305 -20.6769 -20.6769 -20.5510 -20.5510 -7.5350 -7.5350 -7.4825 -7.4825 -7.4757 -7.4757 -7.2237 -7.2237 -5.7187 -5.7187 -5.5867 -5.5867 -5.5435 -5.5435 -5.4998 -5.4998 -5.4286 -5.4286 -5.2697 -5.2697 -5.1809 -5.1809 -5.0709 -5.0709 -0.5571 -0.5571 -0.5032 -0.5032 5.2060 5.2060 5.2280 5.2280 5.7282 5.7282 5.9739 5.9739 6.4147 6.4147 6.6758 6.6758 7.2798 7.2798 8.4203 8.4203 8.7503 8.7503 8.9728 8.9728 8.9926 8.9926 9.0433 9.0433 k = 0.3275 0.6313 0.4646 ( 6698 PWs) bands (ev): -20.8328 -20.8328 -20.8304 -20.8304 -20.6717 -20.6717 -20.5567 -20.5567 -7.5333 -7.5333 -7.4783 -7.4783 -7.4711 -7.4711 -7.2346 -7.2346 -5.7026 -5.7026 -5.5851 -5.5851 -5.5455 -5.5455 -5.5046 -5.5046 -5.4292 -5.4292 -5.2685 -5.2685 -5.1854 -5.1854 -5.0940 -5.0940 -0.5419 -0.5419 -0.4970 -0.4970 5.1865 5.1865 5.2017 5.2017 5.7359 5.7359 5.9728 5.9728 6.3847 6.3847 6.6452 6.6452 7.3537 7.3537 8.4187 8.4187 8.7325 8.7325 9.0126 9.0126 9.0541 9.0541 9.0787 9.0787 k = 0.3193 0.6519 0.4867 ( 6718 PWs) bands (ev): -20.8324 -20.8324 -20.8303 -20.8303 -20.6663 -20.6663 -20.5625 -20.5625 -7.5317 -7.5317 -7.4809 -7.4809 -7.4592 -7.4592 -7.2458 -7.2458 -5.6870 -5.6870 -5.5835 -5.5835 -5.5470 -5.5470 -5.5083 -5.5083 -5.4300 -5.4300 -5.2674 -5.2674 -5.1909 -5.1909 -5.1159 -5.1159 -0.5279 -0.5279 -0.4910 -0.4910 5.1450 5.1450 5.2002 5.2002 5.7462 5.7462 5.9736 5.9736 6.3555 6.3555 6.6143 6.6143 7.4273 7.4273 8.4172 8.4172 8.7137 8.7137 8.9939 8.9939 9.1318 9.1318 9.1537 9.1537 k = 0.3111 0.6724 0.5088 ( 6724 PWs) bands (ev): -20.8319 -20.8319 -20.8303 -20.8303 -20.6607 -20.6607 -20.5685 -20.5685 -7.5302 -7.5302 -7.4834 -7.4834 -7.4470 -7.4470 -7.2574 -7.2574 -5.6723 -5.6723 -5.5819 -5.5819 -5.5477 -5.5477 -5.5107 -5.5107 -5.4310 -5.4310 -5.2664 -5.2664 -5.1979 -5.1979 -5.1357 -5.1357 -0.5153 -0.5153 -0.4854 -0.4854 5.1049 5.1049 5.2020 5.2020 5.7571 5.7571 5.9760 5.9760 6.3274 6.3274 6.5836 6.5836 7.4996 7.4996 8.4161 8.4161 8.6944 8.6944 8.9716 8.9716 9.2062 9.2062 9.2293 9.2293 k = 0.3028 0.6929 0.5310 ( 6732 PWs) bands (ev): -20.8315 -20.8315 -20.8303 -20.8303 -20.6550 -20.6550 -20.5745 -20.5745 -7.5287 -7.5287 -7.4858 -7.4858 -7.4345 -7.4345 -7.2693 -7.2693 -5.6593 -5.6593 -5.5805 -5.5805 -5.5477 -5.5477 -5.5113 -5.5113 -5.4321 -5.4321 -5.2657 -5.2657 -5.2072 -5.2072 -5.1521 -5.1521 -0.5043 -0.5043 -0.4801 -0.4801 5.0676 5.0676 5.2070 5.2070 5.7674 5.7674 5.9797 5.9797 6.3004 6.3004 6.5540 6.5540 7.5693 7.5693 8.4158 8.4158 8.6745 8.6745 8.9473 8.9473 9.2753 9.2753 9.3026 9.3026 k = 0.2946 0.7135 0.5531 ( 6724 PWs) bands (ev): -20.8310 -20.8310 -20.8304 -20.8304 -20.6491 -20.6491 -20.5807 -20.5807 -7.5273 -7.5273 -7.4882 -7.4882 -7.4217 -7.4217 -7.2814 -7.2814 -5.6484 -5.6484 -5.5794 -5.5794 -5.5469 -5.5469 -5.5095 -5.5095 -5.4334 -5.4334 -5.2659 -5.2659 -5.2185 -5.2185 -5.1645 -5.1645 -0.4950 -0.4950 -0.4752 -0.4752 5.0340 5.0340 5.2153 5.2153 5.7766 5.7766 5.9841 5.9841 6.2747 6.2747 6.5260 6.5260 7.6346 7.6346 8.4167 8.4167 8.6542 8.6542 8.9210 8.9210 9.3371 9.3371 9.3718 9.3718 k = 0.2864 0.7340 0.5752 ( 6720 PWs) bands (ev): -20.8306 -20.8306 -20.8306 -20.8306 -20.6431 -20.6431 -20.5870 -20.5870 -7.5259 -7.5259 -7.4905 -7.4905 -7.4089 -7.4089 -7.2936 -7.2936 -5.6401 -5.6401 -5.5789 -5.5789 -5.5454 -5.5454 -5.5050 -5.5050 -5.4349 -5.4349 -5.2679 -5.2679 -5.2302 -5.2302 -5.1731 -5.1731 -0.4876 -0.4876 -0.4708 -0.4708 5.0049 5.0049 5.2266 5.2266 5.7845 5.7845 5.9887 5.9887 6.2503 6.2503 6.5002 6.5002 7.6937 7.6937 8.4190 8.4190 8.6337 8.6337 8.8931 8.8931 9.3896 9.3896 9.4355 9.4355 k = 0.2782 0.7546 0.5973 ( 6728 PWs) bands (ev): -20.8308 -20.8308 -20.8301 -20.8301 -20.6370 -20.6370 -20.5933 -20.5933 -7.5245 -7.5245 -7.4927 -7.4927 -7.3960 -7.3960 -7.3059 -7.3059 -5.6345 -5.6345 -5.5790 -5.5790 -5.5436 -5.5436 -5.4978 -5.4978 -5.4366 -5.4366 -5.2732 -5.2732 -5.2389 -5.2389 -5.1791 -5.1791 -0.4821 -0.4821 -0.4669 -0.4669 4.9806 4.9806 5.2410 5.2410 5.7912 5.7912 5.9927 5.9927 6.2273 6.2273 6.4770 6.4770 7.7443 7.7443 8.4234 8.4234 8.6131 8.6131 8.8635 8.8635 9.4312 9.4312 9.4930 9.4930 k = 0.2700 0.7751 0.6195 ( 6720 PWs) bands (ev): -20.8310 -20.8310 -20.8297 -20.8297 -20.6308 -20.6308 -20.5996 -20.5996 -7.5231 -7.5231 -7.4947 -7.4947 -7.3835 -7.3835 -7.3179 -7.3179 -5.6312 -5.6312 -5.5801 -5.5801 -5.5417 -5.5417 -5.4886 -5.4886 -5.4383 -5.4383 -5.2818 -5.2818 -5.2432 -5.2432 -5.1833 -5.1833 -0.4787 -0.4787 -0.4634 -0.4634 4.9616 4.9616 5.2581 5.2581 5.7968 5.7968 5.9957 5.9957 6.2058 6.2058 6.4569 6.4569 7.7839 7.7839 8.4305 8.4305 8.5925 8.5925 8.8327 8.8327 9.4606 9.4606 9.5441 9.5441 k = 0.2700 0.7751 0.6195 ( 6720 PWs) bands (ev): -20.8310 -20.8310 -20.8297 -20.8297 -20.6308 -20.6308 -20.5996 -20.5996 -7.5231 -7.5231 -7.4947 -7.4947 -7.3835 -7.3835 -7.3179 -7.3179 -5.6312 -5.6312 -5.5801 -5.5801 -5.5417 -5.5417 -5.4886 -5.4886 -5.4383 -5.4383 -5.2818 -5.2818 -5.2432 -5.2432 -5.1833 -5.1833 -0.4787 -0.4787 -0.4634 -0.4634 4.9616 4.9616 5.2581 5.2581 5.7968 5.7968 5.9957 5.9957 6.2058 6.2058 6.4569 6.4569 7.7839 7.7839 8.4305 8.4305 8.5925 8.5925 8.8327 8.8327 9.4606 9.4606 9.5441 9.5441 k = 0.2400 0.7696 0.6254 ( 6713 PWs) bands (ev): -20.8311 -20.8311 -20.8295 -20.8295 -20.6291 -20.6291 -20.6013 -20.6013 -7.5227 -7.5227 -7.4953 -7.4953 -7.3803 -7.3803 -7.3209 -7.3209 -5.6304 -5.6304 -5.5812 -5.5812 -5.5407 -5.5407 -5.4856 -5.4856 -5.4389 -5.4389 -5.2845 -5.2845 -5.2436 -5.2436 -5.1843 -5.1843 -0.4784 -0.4784 -0.4624 -0.4624 4.9577 4.9577 5.2629 5.2629 5.7991 5.7991 5.9972 5.9972 6.1991 6.1991 6.4508 6.4508 7.7930 7.7930 8.4342 8.4342 8.5861 8.5861 8.8240 8.8240 9.4642 9.4642 9.5549 9.5549 k = 0.2100 0.7640 0.6314 ( 6710 PWs) bands (ev): -20.8313 -20.8313 -20.8293 -20.8293 -20.6274 -20.6274 -20.6030 -20.6030 -7.5223 -7.5223 -7.4959 -7.4959 -7.3773 -7.3773 -7.3238 -7.3238 -5.6294 -5.6294 -5.5837 -5.5837 -5.5389 -5.5389 -5.4824 -5.4824 -5.4395 -5.4395 -5.2875 -5.2875 -5.2435 -5.2435 -5.1853 -5.1853 -0.4784 -0.4784 -0.4612 -0.4612 4.9549 4.9549 5.2669 5.2669 5.8032 5.8032 6.0004 6.0004 6.1902 6.1902 6.4431 6.4431 7.8024 7.8024 8.4404 8.4404 8.5788 8.5788 8.8154 8.8154 9.4628 9.4628 9.5597 9.5597 k = 0.1800 0.7585 0.6374 ( 6716 PWs) bands (ev): -20.8314 -20.8314 -20.8292 -20.8292 -20.6257 -20.6257 -20.6047 -20.6047 -7.5218 -7.5218 -7.4966 -7.4966 -7.3744 -7.3744 -7.3265 -7.3265 -5.6280 -5.6280 -5.5872 -5.5872 -5.5365 -5.5365 -5.4792 -5.4792 -5.4400 -5.4400 -5.2908 -5.2908 -5.2428 -5.2428 -5.1863 -5.1863 -0.4787 -0.4787 -0.4601 -0.4601 4.9530 4.9530 5.2701 5.2701 5.8088 5.8088 6.0054 6.0054 6.1791 6.1791 6.4343 6.4343 7.8116 7.8116 8.4484 8.4484 8.5713 8.5713 8.8075 8.8075 9.4574 9.4574 9.5568 9.5569 k = 0.1500 0.7529 0.6434 ( 6714 PWs) bands (ev): -20.8315 -20.8315 -20.8290 -20.8290 -20.6241 -20.6241 -20.6064 -20.6064 -7.5213 -7.5213 -7.4973 -7.4973 -7.3718 -7.3718 -7.3289 -7.3289 -5.6264 -5.6264 -5.5912 -5.5912 -5.5339 -5.5339 -5.4765 -5.4765 -5.4403 -5.4403 -5.2942 -5.2942 -5.2418 -5.2418 -5.1874 -5.1874 -0.4790 -0.4790 -0.4591 -0.4591 4.9518 4.9518 5.2723 5.2723 5.8155 5.8155 6.0123 6.0123 6.1661 6.1661 6.4252 6.4252 7.8202 7.8202 8.4575 8.4575 8.5646 8.5646 8.8007 8.8007 9.4496 9.4496 9.5462 9.5462 k = 0.1200 0.7473 0.6494 ( 6711 PWs) bands (ev): -20.8317 -20.8317 -20.8289 -20.8289 -20.6224 -20.6224 -20.6081 -20.6081 -7.5208 -7.5208 -7.4980 -7.4980 -7.3695 -7.3695 -7.3311 -7.3311 -5.6244 -5.6244 -5.5955 -5.5955 -5.5312 -5.5312 -5.4745 -5.4745 -5.4402 -5.4402 -5.2974 -5.2974 -5.2407 -5.2407 -5.1884 -5.1884 -0.4793 -0.4793 -0.4582 -0.4582 4.9513 4.9513 5.2736 5.2736 5.8226 5.8226 6.0212 6.0212 6.1513 6.1513 6.4166 6.4166 7.8278 7.8278 8.4663 8.4663 8.5596 8.5596 8.7951 8.7951 9.4408 9.4408 9.5299 9.5299 k = 0.0900 0.7418 0.6553 ( 6712 PWs) bands (ev): -20.8318 -20.8318 -20.8287 -20.8287 -20.6208 -20.6208 -20.6097 -20.6097 -7.5204 -7.5204 -7.4986 -7.4986 -7.3675 -7.3675 -7.3329 -7.3329 -5.6221 -5.6221 -5.5998 -5.5998 -5.5288 -5.5288 -5.4732 -5.4732 -5.4397 -5.4397 -5.3002 -5.3002 -5.2396 -5.2396 -5.1892 -5.1892 -0.4796 -0.4796 -0.4576 -0.4576 4.9512 4.9512 5.2743 5.2743 5.8293 5.8293 6.0321 6.0321 6.1352 6.1352 6.4091 6.4091 7.8341 7.8341 8.4736 8.4736 8.5568 8.5568 8.7908 8.7908 9.4324 9.4324 9.5117 9.5117 k = 0.0600 0.7362 0.6613 ( 6705 PWs) bands (ev): -20.8318 -20.8318 -20.8287 -20.8287 -20.6192 -20.6192 -20.6113 -20.6113 -7.5201 -7.5201 -7.4990 -7.4990 -7.3660 -7.3660 -7.3343 -7.3343 -5.6195 -5.6195 -5.6039 -5.6039 -5.5269 -5.5269 -5.4726 -5.4726 -5.4391 -5.4391 -5.3023 -5.3023 -5.2387 -5.2387 -5.1899 -5.1899 -0.4798 -0.4798 -0.4571 -0.4571 4.9513 4.9513 5.2745 5.2745 5.8348 5.8348 6.0446 6.0446 6.1185 6.1185 6.4034 6.4034 7.8388 7.8388 8.4785 8.4785 8.5561 8.5561 8.7877 8.7877 9.4256 9.4256 9.4954 9.4954 k = 0.0300 0.7307 0.6673 ( 6703 PWs) bands (ev): -20.8319 -20.8319 -20.8286 -20.8286 -20.6178 -20.6178 -20.6127 -20.6127 -7.5199 -7.5199 -7.4993 -7.4993 -7.3651 -7.3651 -7.3352 -7.3352 -5.6169 -5.6169 -5.6075 -5.6075 -5.5257 -5.5257 -5.4723 -5.4723 -5.4386 -5.4386 -5.3037 -5.3037 -5.2381 -5.2381 -5.1904 -5.1904 -0.4800 -0.4800 -0.4568 -0.4568 4.9514 4.9514 5.2745 5.2745 5.8384 5.8384 6.0576 6.0576 6.1028 6.1028 6.3998 6.3998 7.8416 7.8416 8.4810 8.4810 8.5566 8.5566 8.7859 8.7859 9.4212 9.4212 9.4842 9.4842 k = 0.0000 0.7251 0.6733 ( 6690 PWs) bands (ev): -20.8319 -20.8319 -20.8286 -20.8286 -20.6172 -20.6172 -20.6133 -20.6133 -7.5198 -7.5198 -7.4994 -7.4994 -7.3647 -7.3647 -7.3355 -7.3355 -5.6153 -5.6153 -5.6094 -5.6094 -5.5252 -5.5252 -5.4722 -5.4722 -5.4384 -5.4384 -5.3042 -5.3042 -5.2379 -5.2379 -5.1905 -5.1905 -0.4800 -0.4800 -0.4567 -0.4567 4.9515 4.9515 5.2745 5.2745 5.8396 5.8396 6.0652 6.0652 6.0943 6.0943 6.3985 6.3985 7.8426 7.8426 8.4818 8.4818 8.5569 8.5569 8.7853 8.7853 9.4197 9.4197 9.4802 9.4802 k = 0.0000 0.7251 0.6733 ( 6690 PWs) bands (ev): -20.8319 -20.8319 -20.8286 -20.8286 -20.6172 -20.6172 -20.6133 -20.6133 -7.5198 -7.5198 -7.4994 -7.4994 -7.3647 -7.3647 -7.3355 -7.3355 -5.6153 -5.6153 -5.6094 -5.6094 -5.5252 -5.5252 -5.4722 -5.4722 -5.4384 -5.4384 -5.3042 -5.3042 -5.2379 -5.2379 -5.1905 -5.1905 -0.4800 -0.4800 -0.4567 -0.4567 4.9515 4.9515 5.2745 5.2745 5.8396 5.8396 6.0652 6.0652 6.0943 6.0943 6.3985 6.3985 7.8426 7.8426 8.4818 8.4818 8.5569 8.5569 8.7853 8.7853 9.4197 9.4197 9.4802 9.4802 k = 0.0081 0.7050 0.6950 ( 6704 PWs) bands (ev): -20.8319 -20.8319 -20.8286 -20.8286 -20.6172 -20.6172 -20.6133 -20.6133 -7.5198 -7.5198 -7.4995 -7.4995 -7.3651 -7.3651 -7.3359 -7.3359 -5.6184 -5.6184 -5.6072 -5.6072 -5.5261 -5.5261 -5.4724 -5.4724 -5.4383 -5.4383 -5.3039 -5.3039 -5.2379 -5.2379 -5.1881 -5.1881 -0.4800 -0.4800 -0.4574 -0.4574 4.9528 4.9528 5.2760 5.2760 5.8399 5.8399 6.0586 6.0586 6.1007 6.1007 6.3983 6.3983 7.8438 7.8438 8.4802 8.4802 8.5484 8.5484 8.7954 8.7954 9.3689 9.3689 9.5311 9.5311 k = 0.0161 0.6848 0.7167 ( 6702 PWs) bands (ev): -20.8318 -20.8318 -20.8286 -20.8286 -20.6172 -20.6172 -20.6133 -20.6133 -7.5198 -7.5198 -7.4996 -7.4996 -7.3663 -7.3663 -7.3369 -7.3369 -5.6239 -5.6239 -5.6044 -5.6044 -5.5284 -5.5284 -5.4728 -5.4728 -5.4381 -5.4381 -5.3036 -5.3036 -5.2370 -5.2370 -5.1814 -5.1814 -0.4800 -0.4800 -0.4594 -0.4594 4.9570 4.9570 5.2804 5.2804 5.8407 5.8407 6.0457 6.0457 6.1131 6.1131 6.3977 6.3977 7.8475 7.8475 8.4724 8.4724 8.5302 8.5302 8.8213 8.8213 9.2977 9.2977 9.6020 9.6020 k = 0.0242 0.6646 0.7384 ( 6702 PWs) bands (ev): -20.8318 -20.8318 -20.8286 -20.8286 -20.6171 -20.6171 -20.6133 -20.6133 -7.5198 -7.5198 -7.4998 -7.4998 -7.3683 -7.3683 -7.3387 -7.3387 -5.6302 -5.6302 -5.6030 -5.6030 -5.5313 -5.5313 -5.4737 -5.4737 -5.4378 -5.4378 -5.3042 -5.3042 -5.2332 -5.2332 -5.1716 -5.1716 -0.4800 -0.4800 -0.4628 -0.4628 4.9638 4.9638 5.2877 5.2877 5.8418 5.8418 6.0315 6.0315 6.1266 6.1266 6.3968 6.3968 7.8536 7.8536 8.4495 8.4495 8.5180 8.5180 8.8561 8.8561 9.2267 9.2267 9.6703 9.6703 k = 0.0323 0.6445 0.7602 ( 6706 PWs) bands (ev): -20.8317 -20.8317 -20.8285 -20.8285 -20.6171 -20.6171 -20.6133 -20.6133 -7.5198 -7.5198 -7.5001 -7.5001 -7.3710 -7.3710 -7.3411 -7.3411 -5.6370 -5.6370 -5.6036 -5.6036 -5.5339 -5.5339 -5.4749 -5.4749 -5.4373 -5.4373 -5.3066 -5.3066 -5.2256 -5.2256 -5.1598 -5.1598 -0.4802 -0.4802 -0.4673 -0.4673 4.9733 4.9733 5.2979 5.2979 5.8432 5.8432 6.0172 6.0172 6.1400 6.1400 6.3955 6.3955 7.8620 7.8620 8.4121 8.4121 8.5157 8.5157 8.8947 8.8947 9.1584 9.1584 9.7295 9.7295 k = 0.0403 0.6243 0.7819 ( 6714 PWs) bands (ev): -20.8316 -20.8316 -20.8285 -20.8285 -20.6170 -20.6170 -20.6134 -20.6134 -7.5197 -7.5197 -7.5005 -7.5005 -7.3745 -7.3745 -7.3442 -7.3442 -5.6442 -5.6442 -5.6063 -5.6063 -5.5354 -5.5354 -5.4766 -5.4766 -5.4368 -5.4368 -5.3106 -5.3106 -5.2141 -5.2141 -5.1466 -5.1466 -0.4811 -0.4811 -0.4724 -0.4724 4.9854 4.9854 5.3107 5.3107 5.8446 5.8446 6.0035 6.0035 6.1531 6.1531 6.3942 6.3942 7.8725 7.8725 8.3677 8.3677 8.5180 8.5180 8.9336 8.9336 9.0947 9.0947 9.7701 9.7701 k = 0.0484 0.6041 0.8036 ( 6722 PWs) bands (ev): -20.8314 -20.8314 -20.8284 -20.8284 -20.6169 -20.6169 -20.6134 -20.6134 -7.5197 -7.5197 -7.5009 -7.5009 -7.3786 -7.3786 -7.3479 -7.3479 -5.6520 -5.6520 -5.6109 -5.6109 -5.5354 -5.5354 -5.4785 -5.4785 -5.4364 -5.4364 -5.3158 -5.3158 -5.1997 -5.1997 -5.1323 -5.1323 -0.4846 -0.4846 -0.4761 -0.4761 4.9999 4.9999 5.3261 5.3261 5.8456 5.8456 5.9908 5.9908 6.1656 6.1656 6.3930 6.3930 7.8851 7.8851 8.3203 8.3203 8.5216 8.5216 8.9640 8.9640 9.0437 9.0437 9.7812 9.7812 k = 0.0565 0.5840 0.8253 ( 6708 PWs) bands (ev): -20.8313 -20.8313 -20.8284 -20.8284 -20.6168 -20.6168 -20.6134 -20.6134 -7.5197 -7.5197 -7.5014 -7.5014 -7.3834 -7.3834 -7.3521 -7.3521 -5.6602 -5.6602 -5.6170 -5.6170 -5.5342 -5.5342 -5.4807 -5.4807 -5.4361 -5.4361 -5.3216 -5.3216 -5.1830 -5.1830 -5.1172 -5.1172 -0.4919 -0.4919 -0.4771 -0.4771 5.0167 5.0167 5.3439 5.3439 5.8458 5.8458 5.9797 5.9797 6.1774 6.1774 6.3920 6.3920 7.8993 7.8993 8.2715 8.2715 8.5252 8.5252 8.9484 8.9484 9.0427 9.0427 9.7625 9.7625 k = 0.0645 0.5638 0.8470 ( 6714 PWs) bands (ev): -20.8311 -20.8311 -20.8283 -20.8283 -20.6167 -20.6167 -20.6134 -20.6134 -7.5197 -7.5197 -7.5020 -7.5020 -7.3887 -7.3887 -7.3569 -7.3569 -5.6689 -5.6689 -5.6237 -5.6237 -5.5320 -5.5320 -5.4831 -5.4831 -5.4359 -5.4359 -5.3276 -5.3276 -5.1648 -5.1648 -5.1015 -5.1015 -0.5010 -0.5010 -0.4772 -0.4772 5.0357 5.0357 5.3638 5.3638 5.8450 5.8450 5.9707 5.9707 6.1885 6.1885 6.3916 6.3916 7.9150 7.9150 8.2224 8.2224 8.5279 8.5279 8.9015 8.9015 9.0763 9.0763 9.7230 9.7230 k = 0.0726 0.5436 0.8688 ( 6702 PWs) bands (ev): -20.8309 -20.8309 -20.8282 -20.8282 -20.6165 -20.6165 -20.6134 -20.6134 -7.5198 -7.5198 -7.5026 -7.5026 -7.3945 -7.3945 -7.3621 -7.3621 -5.6781 -5.6781 -5.6304 -5.6304 -5.5293 -5.5293 -5.4855 -5.4855 -5.4359 -5.4359 -5.3336 -5.3336 -5.1456 -5.1456 -5.0854 -5.0854 -0.5114 -0.5114 -0.4770 -0.4770 5.0566 5.0566 5.3856 5.3856 5.8427 5.8427 5.9641 5.9641 6.1987 6.1987 6.3918 6.3918 7.9317 7.9317 8.1733 8.1733 8.5289 8.5289 8.8539 8.8539 9.1130 9.1130 9.6712 9.6712 k = 0.0806 0.5235 0.8905 ( 6708 PWs) bands (ev): -20.8307 -20.8307 -20.8281 -20.8281 -20.6164 -20.6164 -20.6135 -20.6135 -7.5198 -7.5198 -7.5033 -7.5033 -7.4008 -7.4008 -7.3677 -7.3677 -5.6876 -5.6876 -5.6369 -5.6369 -5.5262 -5.5262 -5.4880 -5.4880 -5.4362 -5.4362 -5.3395 -5.3395 -5.1258 -5.1258 -5.0689 -5.0689 -0.5226 -0.5226 -0.4767 -0.4767 5.0793 5.0793 5.4090 5.4090 5.8390 5.8390 5.9602 5.9602 6.2079 6.2079 6.3929 6.3929 7.9488 7.9488 8.1249 8.1249 8.5275 8.5275 8.8107 8.8107 9.1455 9.1455 9.6186 9.6187 k = 0.0887 0.5033 0.9122 ( 6704 PWs) bands (ev): -20.8305 -20.8305 -20.8281 -20.8281 -20.6163 -20.6163 -20.6135 -20.6135 -7.5199 -7.5199 -7.5040 -7.5040 -7.4075 -7.4075 -7.3736 -7.3736 -5.6975 -5.6975 -5.6429 -5.6429 -5.5230 -5.5230 -5.4905 -5.4905 -5.4366 -5.4366 -5.3451 -5.3451 -5.1056 -5.1056 -5.0523 -5.0523 -0.5346 -0.5346 -0.4764 -0.4764 5.1034 5.1034 5.4334 5.4334 5.8344 5.8344 5.9586 5.9586 6.2163 6.2163 6.3950 6.3950 7.9656 7.9656 8.0775 8.0775 8.5231 8.5231 8.7733 8.7733 9.1690 9.1690 9.5752 9.5752 k = 0.0968 0.4831 0.9339 ( 6696 PWs) bands (ev): -20.8302 -20.8302 -20.8280 -20.8280 -20.6161 -20.6161 -20.6135 -20.6135 -7.5200 -7.5200 -7.5048 -7.5048 -7.4145 -7.4145 -7.3798 -7.3798 -5.7074 -5.7074 -5.6482 -5.6482 -5.5198 -5.5198 -5.4929 -5.4929 -5.4374 -5.4374 -5.3505 -5.3505 -5.0853 -5.0853 -5.0356 -5.0356 -0.5472 -0.5472 -0.4760 -0.4760 5.1289 5.1289 5.4583 5.4583 5.8296 5.8296 5.9590 5.9590 6.2237 6.2237 6.3981 6.3981 7.9802 7.9802 8.0327 8.0327 8.5152 8.5152 8.7424 8.7424 9.1779 9.1779 9.5353 9.5353 k = 0.1048 0.4630 0.9556 ( 6700 PWs) bands (ev): -20.8300 -20.8300 -20.8279 -20.8279 -20.6160 -20.6160 -20.6135 -20.6135 -7.5202 -7.5202 -7.5055 -7.5055 -7.4217 -7.4217 -7.3862 -7.3862 -5.7172 -5.7172 -5.6529 -5.6529 -5.5167 -5.5167 -5.4951 -5.4951 -5.4383 -5.4383 -5.3556 -5.3556 -5.0650 -5.0650 -5.0189 -5.0189 -0.5603 -0.5603 -0.4756 -0.4756 5.1553 5.1553 5.4832 5.4832 5.8254 5.8254 5.9609 5.9609 6.2304 6.2304 6.4024 6.4024 7.9749 7.9749 8.0080 8.0080 8.5033 8.5033 8.7188 8.7188 9.1698 9.1698 9.4886 9.4886 k = 0.1129 0.4428 0.9774 ( 6700 PWs) bands (ev): -20.8297 -20.8297 -20.8278 -20.8278 -20.6158 -20.6158 -20.6136 -20.6136 -7.5205 -7.5205 -7.5062 -7.5062 -7.4290 -7.4290 -7.3928 -7.3928 -5.7269 -5.7269 -5.6570 -5.6570 -5.5139 -5.5139 -5.4972 -5.4972 -5.4394 -5.4394 -5.3603 -5.3603 -5.0451 -5.0451 -5.0024 -5.0024 -0.5736 -0.5736 -0.4752 -0.4752 5.1823 5.1823 5.5073 5.5073 5.8229 5.8229 5.9637 5.9637 6.2365 6.2365 6.4076 6.4076 7.9356 7.9356 8.0167 8.0167 8.4873 8.4873 8.7029 8.7029 9.1481 9.1481 9.4413 9.4413 k = 0.1210 0.4226 0.9991 ( 6704 PWs) bands (ev): -20.8295 -20.8295 -20.8277 -20.8277 -20.6156 -20.6156 -20.6136 -20.6136 -7.5209 -7.5209 -7.5068 -7.5068 -7.4364 -7.4364 -7.3994 -7.3994 -5.7363 -5.7363 -5.6606 -5.6606 -5.5116 -5.5116 -5.4990 -5.4990 -5.4407 -5.4407 -5.3647 -5.3647 -5.0256 -5.0256 -4.9862 -4.9862 -0.5871 -0.5871 -0.4748 -0.4748 5.2097 5.2097 5.5296 5.5296 5.8227 5.8227 5.9672 5.9672 6.2423 6.2423 6.4137 6.4137 7.8936 7.8936 8.0276 8.0276 8.4671 8.4671 8.6948 8.6948 9.1187 9.1187 9.3957 9.3957 k = 0.1290 0.4025 1.0208 ( 6712 PWs) bands (ev): -20.8292 -20.8292 -20.8276 -20.8276 -20.6155 -20.6155 -20.6136 -20.6136 -7.5214 -7.5214 -7.5074 -7.5074 -7.4438 -7.4438 -7.4060 -7.4060 -5.7453 -5.7453 -5.6636 -5.6636 -5.5099 -5.5099 -5.5003 -5.5003 -5.4420 -5.4420 -5.3687 -5.3687 -5.0067 -5.0067 -4.9704 -4.9704 -0.6007 -0.6007 -0.4744 -0.4744 5.2371 5.2371 5.5495 5.5495 5.8257 5.8257 5.9713 5.9713 6.2479 6.2479 6.4203 6.4203 7.8525 7.8525 8.0369 8.0369 8.4431 8.4431 8.6945 8.6945 9.0869 9.0869 9.3526 9.3526 k = 0.1371 0.3823 1.0425 ( 6716 PWs) bands (ev): -20.8290 -20.8290 -20.8275 -20.8275 -20.6153 -20.6153 -20.6136 -20.6136 -7.5221 -7.5221 -7.5078 -7.5078 -7.4511 -7.4511 -7.4125 -7.4125 -5.7538 -5.7538 -5.6661 -5.6661 -5.5093 -5.5093 -5.5009 -5.5009 -5.4433 -5.4433 -5.3725 -5.3725 -4.9885 -4.9885 -4.9551 -4.9551 -0.6141 -0.6141 -0.4740 -0.4740 5.2641 5.2641 5.5662 5.5662 5.8321 5.8321 5.9759 5.9759 6.2537 6.2537 6.4272 6.4272 7.8129 7.8129 8.0442 8.0442 8.4156 8.4156 8.7013 8.7013 9.0557 9.0557 9.3124 9.3124 k = 0.1452 0.3621 1.0642 ( 6714 PWs) bands (ev): -20.8287 -20.8287 -20.8274 -20.8274 -20.6151 -20.6151 -20.6137 -20.6137 -7.5229 -7.5229 -7.5081 -7.5081 -7.4582 -7.4582 -7.4189 -7.4189 -5.7618 -5.7618 -5.6682 -5.6682 -5.5096 -5.5096 -5.5007 -5.5007 -5.4444 -5.4444 -5.3759 -5.3759 -4.9710 -4.9710 -4.9404 -4.9404 -0.6272 -0.6272 -0.4736 -0.4736 5.2903 5.2903 5.5797 5.5797 5.8416 5.8416 5.9813 5.9813 6.2598 6.2598 6.4342 6.4342 7.7751 7.7751 8.0497 8.0497 8.3854 8.3854 8.7144 8.7144 9.0267 9.0267 9.2757 9.2757 k = 0.1532 0.3420 1.0859 ( 6706 PWs) bands (ev): -20.8285 -20.8285 -20.8273 -20.8273 -20.6150 -20.6150 -20.6137 -20.6137 -7.5239 -7.5239 -7.5083 -7.5083 -7.4650 -7.4650 -7.4251 -7.4251 -5.7692 -5.7692 -5.6699 -5.6699 -5.5105 -5.5105 -5.5004 -5.5004 -5.4453 -5.4453 -5.3791 -5.3791 -4.9545 -4.9545 -4.9264 -4.9264 -0.6400 -0.6400 -0.4732 -0.4732 5.3154 5.3154 5.5900 5.5900 5.8533 5.8533 5.9880 5.9880 6.2666 6.2666 6.4409 6.4409 7.7392 7.7392 8.0539 8.0539 8.3533 8.3533 8.7323 8.7323 9.0003 9.0003 9.2430 9.2430 k = 0.1613 0.3218 1.1077 ( 6706 PWs) bands (ev): -20.8282 -20.8282 -20.8272 -20.8272 -20.6148 -20.6148 -20.6137 -20.6137 -7.5251 -7.5251 -7.5083 -7.5083 -7.4714 -7.4714 -7.4310 -7.4310 -5.7761 -5.7761 -5.6712 -5.6712 -5.5116 -5.5116 -5.5002 -5.5002 -5.4458 -5.4458 -5.3821 -5.3821 -4.9390 -4.9390 -4.9131 -4.9131 -0.6522 -0.6522 -0.4728 -0.4728 5.3390 5.3390 5.5979 5.5979 5.8656 5.8656 5.9965 5.9965 6.2740 6.2740 6.4470 6.4470 7.7054 7.7054 8.0573 8.0573 8.3201 8.3201 8.7534 8.7534 8.9768 8.9768 9.2147 9.2147 k = 0.1694 0.3016 1.1294 ( 6712 PWs) bands (ev): -20.8280 -20.8280 -20.8271 -20.8271 -20.6147 -20.6147 -20.6138 -20.6138 -7.5263 -7.5263 -7.5084 -7.5084 -7.4774 -7.4774 -7.4367 -7.4367 -5.7823 -5.7823 -5.6722 -5.6722 -5.5127 -5.5127 -5.5004 -5.5004 -5.4460 -5.4460 -5.3848 -5.3848 -4.9246 -4.9246 -4.9007 -4.9007 -0.6638 -0.6638 -0.4725 -0.4725 5.3606 5.3606 5.6041 5.6041 5.8770 5.8770 6.0073 6.0073 6.2824 6.2824 6.4523 6.4523 7.6738 7.6738 8.0603 8.0603 8.2869 8.2869 8.7761 8.7761 8.9560 8.9560 9.1914 9.1914 k = 0.1774 0.2815 1.1511 ( 6712 PWs) bands (ev): -20.8278 -20.8278 -20.8271 -20.8271 -20.6145 -20.6145 -20.6138 -20.6138 -7.5276 -7.5276 -7.5084 -7.5084 -7.4828 -7.4828 -7.4420 -7.4420 -5.7880 -5.7880 -5.6730 -5.6730 -5.5137 -5.5137 -5.5011 -5.5011 -5.4459 -5.4459 -5.3873 -5.3873 -4.9114 -4.9114 -4.8892 -4.8892 -0.6747 -0.6747 -0.4722 -0.4722 5.3800 5.3800 5.6094 5.6094 5.8862 5.8862 6.0206 6.0206 6.2918 6.2918 6.4566 6.4566 7.6445 7.6445 8.0634 8.0634 8.2543 8.2543 8.7985 8.7985 8.9378 8.9378 9.1738 9.1738 k = 0.1855 0.2613 1.1728 ( 6708 PWs) bands (ev): -20.8276 -20.8276 -20.8270 -20.8270 -20.6144 -20.6144 -20.6138 -20.6138 -7.5289 -7.5289 -7.5086 -7.5086 -7.4875 -7.4875 -7.4469 -7.4469 -5.7931 -5.7931 -5.6735 -5.6735 -5.5146 -5.5146 -5.5021 -5.5021 -5.4454 -5.4454 -5.3897 -5.3897 -4.8993 -4.8993 -4.8787 -4.8787 -0.6847 -0.6847 -0.4719 -0.4719 5.3970 5.3970 5.6144 5.6144 5.8927 5.8927 6.0357 6.0357 6.3024 6.3024 6.4595 6.4595 7.6178 7.6178 8.0667 8.0667 8.2233 8.2233 8.8186 8.8186 8.9219 8.9219 9.1623 9.1623 k = 0.1935 0.2411 1.1945 ( 6716 PWs) bands (ev): -20.8274 -20.8274 -20.8269 -20.8269 -20.6143 -20.6143 -20.6138 -20.6138 -7.5302 -7.5302 -7.5091 -7.5091 -7.4913 -7.4913 -7.4514 -7.4514 -5.7976 -5.7976 -5.6738 -5.6738 -5.5153 -5.5153 -5.5034 -5.5034 -5.4446 -5.4446 -5.3918 -5.3918 -4.8886 -4.8886 -4.8692 -4.8692 -0.6938 -0.6938 -0.4717 -0.4717 5.4114 5.4114 5.6194 5.6194 5.8969 5.8969 6.0517 6.0517 6.3141 6.3141 6.4609 6.4609 7.5937 7.5937 8.0704 8.0704 8.1944 8.1944 8.8352 8.8352 8.9082 8.9082 9.1573 9.1573 k = 0.2016 0.2210 1.2163 ( 6714 PWs) bands (ev): -20.8272 -20.8272 -20.8269 -20.8269 -20.6142 -20.6142 -20.6138 -20.6138 -7.5315 -7.5315 -7.5099 -7.5099 -7.4940 -7.4940 -7.4555 -7.4555 -5.8014 -5.8014 -5.6740 -5.6740 -5.5158 -5.5158 -5.5049 -5.5049 -5.4436 -5.4436 -5.3938 -5.3938 -4.8792 -4.8792 -4.8609 -4.8609 -0.7018 -0.7018 -0.4714 -0.4714 5.4232 5.4232 5.6245 5.6245 5.8992 5.8992 6.0674 6.0674 6.3271 6.3271 6.4605 6.4605 7.5724 7.5724 8.0743 8.0743 8.1682 8.1682 8.8473 8.8473 8.8965 8.8965 9.1582 9.1582 k = 0.2097 0.2008 1.2380 ( 6722 PWs) bands (ev): -20.8271 -20.8271 -20.8268 -20.8268 -20.6141 -20.6141 -20.6139 -20.6139 -7.5327 -7.5327 -7.5112 -7.5112 -7.4957 -7.4957 -7.4591 -7.4591 -5.8047 -5.8047 -5.6740 -5.6740 -5.5160 -5.5160 -5.5066 -5.5066 -5.4426 -5.4426 -5.3955 -5.3955 -4.8712 -4.8712 -4.8538 -4.8538 -0.7088 -0.7088 -0.4713 -0.4713 5.4325 5.4325 5.6296 5.6296 5.9002 5.9002 6.0817 6.0817 6.3410 6.3410 6.4582 6.4582 7.5541 7.5541 8.0782 8.0782 8.1452 8.1452 8.8551 8.8551 8.8868 8.8868 9.1638 9.1638 k = 0.2177 0.1806 1.2597 ( 6722 PWs) bands (ev): -20.8270 -20.8270 -20.8268 -20.8268 -20.6140 -20.6140 -20.6139 -20.6139 -7.5337 -7.5337 -7.5126 -7.5126 -7.4966 -7.4966 -7.4622 -7.4622 -5.8074 -5.8074 -5.6740 -5.6740 -5.5161 -5.5161 -5.5082 -5.5082 -5.4415 -5.4415 -5.3970 -5.3970 -4.8646 -4.8646 -4.8478 -4.8478 -0.7145 -0.7145 -0.4711 -0.4711 5.4396 5.4396 5.6345 5.6345 5.9004 5.9004 6.0941 6.0941 6.3556 6.3556 6.4539 6.4539 7.5389 7.5389 8.0820 8.0820 8.1259 8.1259 8.8594 8.8594 8.8790 8.8790 9.1721 9.1721 k = 0.2258 0.1605 1.2814 ( 6728 PWs) bands (ev): -20.8269 -20.8269 -20.8267 -20.8267 -20.6140 -20.6140 -20.6139 -20.6139 -7.5345 -7.5345 -7.5140 -7.5140 -7.4969 -7.4969 -7.4646 -7.4646 -5.8094 -5.8094 -5.6740 -5.6740 -5.5160 -5.5160 -5.5098 -5.5098 -5.4406 -5.4406 -5.3983 -5.3983 -4.8595 -4.8595 -4.8432 -4.8432 -0.7191 -0.7191 -0.4710 -0.4710 5.4447 5.4447 5.6388 5.6388 5.9001 5.9001 6.1039 6.1039 6.3706 6.3706 6.4476 6.4476 7.5269 7.5269 8.0854 8.0854 8.1105 8.1105 8.8612 8.8612 8.8732 8.8732 9.1811 9.1811 k = 0.2339 0.1403 1.3031 ( 6734 PWs) bands (ev): -20.8268 -20.8268 -20.8267 -20.8267 -20.6139 -20.6139 -20.6139 -20.6139 -7.5352 -7.5352 -7.5152 -7.5152 -7.4969 -7.4969 -7.4665 -7.4665 -5.8109 -5.8109 -5.6739 -5.6739 -5.5156 -5.5156 -5.5112 -5.5112 -5.4399 -5.4399 -5.3992 -5.3992 -4.8558 -4.8558 -4.8398 -4.8398 -0.7223 -0.7223 -0.4709 -0.4709 5.4482 5.4482 5.6421 5.6421 5.8997 5.8997 6.1110 6.1110 6.3853 6.3853 6.4395 6.4395 7.5183 7.5183 8.0880 8.0880 8.0993 8.0993 8.8614 8.8614 8.8692 8.8692 9.1888 9.1888 k = 0.2419 0.1201 1.3249 ( 6734 PWs) bands (ev): -20.8268 -20.8268 -20.8267 -20.8267 -20.6139 -20.6139 -20.6139 -20.6139 -7.5355 -7.5355 -7.5159 -7.5159 -7.4968 -7.4968 -7.4676 -7.4676 -5.8118 -5.8118 -5.6739 -5.6739 -5.5151 -5.5151 -5.5124 -5.5124 -5.4394 -5.4394 -5.3998 -5.3998 -4.8536 -4.8536 -4.8378 -4.8378 -0.7243 -0.7243 -0.4708 -0.4708 5.4502 5.4502 5.6443 5.6443 5.8994 5.8994 6.1153 6.1153 6.3987 6.3987 6.4302 6.4302 7.5131 7.5131 8.0895 8.0895 8.0926 8.0926 8.8610 8.8610 8.8671 8.8671 9.1940 9.1940 k = 0.2500 0.1000 1.3466 ( 6732 PWs) bands (ev): -20.8268 -20.8268 -20.8267 -20.8267 -20.6139 -20.6139 -20.6139 -20.6139 -7.5357 -7.5357 -7.5162 -7.5162 -7.4968 -7.4968 -7.4680 -7.4680 -5.8121 -5.8121 -5.6739 -5.6739 -5.5148 -5.5148 -5.5130 -5.5130 -5.4392 -5.4392 -5.4000 -5.4000 -4.8528 -4.8528 -4.8371 -4.8371 -0.7250 -0.7250 -0.4708 -0.4708 5.4508 5.4508 5.6450 5.6450 5.8993 5.8993 6.1167 6.1167 6.4061 6.4061 6.4242 6.4242 7.5113 7.5113 8.0896 8.0896 8.0909 8.0909 8.8607 8.8607 8.8665 8.8665 9.1958 9.1958 k = 0.2500 0.1000 1.3466 ( 6732 PWs) bands (ev): -20.8268 -20.8268 -20.8267 -20.8267 -20.6139 -20.6139 -20.6139 -20.6139 -7.5357 -7.5357 -7.5162 -7.5162 -7.4968 -7.4968 -7.4680 -7.4680 -5.8121 -5.8121 -5.6739 -5.6739 -5.5148 -5.5148 -5.5130 -5.5130 -5.4392 -5.4392 -5.4000 -5.4000 -4.8528 -4.8528 -4.8371 -4.8371 -0.7250 -0.7250 -0.4708 -0.4708 5.4508 5.4508 5.6450 5.6450 5.8993 5.8993 6.1167 6.1167 6.4061 6.4061 6.4242 6.4242 7.5113 7.5113 8.0896 8.0896 8.0909 8.0909 8.8607 8.8607 8.8665 8.8665 9.1958 9.1958 k = 0.2750 0.1100 1.3358 ( 6740 PWs) bands (ev): -20.8268 -20.8268 -20.8267 -20.8267 -20.6140 -20.6140 -20.6139 -20.6139 -7.5356 -7.5356 -7.5162 -7.5162 -7.4968 -7.4968 -7.4679 -7.4679 -5.8121 -5.8121 -5.6739 -5.6739 -5.5175 -5.5175 -5.5101 -5.5101 -5.4395 -5.4395 -5.3998 -5.3998 -4.8529 -4.8529 -4.8372 -4.8372 -0.7249 -0.7249 -0.4708 -0.4708 5.4504 5.4504 5.6452 5.6452 5.8982 5.8982 6.1173 6.1173 6.4047 6.4047 6.4268 6.4268 7.5099 7.5099 8.0515 8.0515 8.1315 8.1315 8.8420 8.8420 8.8831 8.8831 9.1968 9.1968 k = 0.3000 0.1200 1.3250 ( 6739 PWs) bands (ev): -20.8268 -20.8268 -20.8267 -20.8267 -20.6140 -20.6140 -20.6138 -20.6138 -7.5356 -7.5356 -7.5160 -7.5160 -7.4968 -7.4968 -7.4678 -7.4678 -5.8120 -5.8120 -5.6738 -5.6738 -5.5207 -5.5207 -5.5063 -5.5063 -5.4405 -5.4405 -5.3994 -5.3994 -4.8532 -4.8532 -4.8375 -4.8375 -0.7247 -0.7247 -0.4708 -0.4708 5.4491 5.4491 5.6459 5.6459 5.8951 5.8951 6.1191 6.1191 6.4020 6.4020 6.4331 6.4331 7.5059 7.5059 8.0154 8.0154 8.1752 8.1752 8.8187 8.8187 8.9000 8.9000 9.1994 9.1994 k = 0.3250 0.1300 1.3143 ( 6731 PWs) bands (ev): -20.8268 -20.8268 -20.8267 -20.8267 -20.6141 -20.6141 -20.6137 -20.6137 -7.5355 -7.5355 -7.5158 -7.5158 -7.4969 -7.4969 -7.4675 -7.4675 -5.8118 -5.8118 -5.6737 -5.6737 -5.5236 -5.5236 -5.5025 -5.5025 -5.4420 -5.4420 -5.3988 -5.3988 -4.8536 -4.8536 -4.8379 -4.8379 -0.7244 -0.7244 -0.4707 -0.4707 5.4469 5.4469 5.6469 5.6469 5.8899 5.8899 6.1222 6.1222 6.3995 6.3995 6.4413 6.4413 7.4998 7.4998 7.9831 7.9831 8.2203 8.2203 8.7927 8.7927 8.9155 8.9155 9.2028 9.2028 k = 0.3500 0.1400 1.3035 ( 6719 PWs) bands (ev): -20.8268 -20.8268 -20.8267 -20.8267 -20.6142 -20.6142 -20.6136 -20.6136 -7.5354 -7.5354 -7.5156 -7.5156 -7.4970 -7.4970 -7.4672 -7.4672 -5.8115 -5.8115 -5.6736 -5.6736 -5.5262 -5.5262 -5.4987 -5.4987 -5.4439 -5.4439 -5.3980 -5.3980 -4.8542 -4.8542 -4.8385 -4.8385 -0.7240 -0.7240 -0.4705 -0.4705 5.4439 5.4439 5.6482 5.6482 5.8829 5.8829 6.1264 6.1264 6.3976 6.3976 6.4506 6.4506 7.4923 7.4923 7.9547 7.9547 8.2665 8.2665 8.7641 8.7641 8.9299 8.9299 9.2060 9.2060 k = 0.3750 0.1500 1.2927 ( 6713 PWs) bands (ev): -20.8268 -20.8268 -20.8267 -20.8267 -20.6144 -20.6144 -20.6134 -20.6134 -7.5352 -7.5352 -7.5153 -7.5153 -7.4971 -7.4971 -7.4668 -7.4668 -5.8112 -5.8112 -5.6734 -5.6734 -5.5284 -5.5284 -5.4950 -5.4950 -5.4461 -5.4461 -5.3972 -5.3972 -4.8551 -4.8551 -4.8392 -4.8392 -0.7234 -0.7234 -0.4703 -0.4703 5.4402 5.4402 5.6496 5.6496 5.8748 5.8748 6.1314 6.1314 6.3961 6.3961 6.4603 6.4603 7.4844 7.4844 7.9307 7.9307 8.3132 8.3132 8.7329 8.7329 8.9431 8.9431 9.2080 9.2080 k = 0.4000 0.1600 1.2820 ( 6707 PWs) bands (ev): -20.8268 -20.8268 -20.8267 -20.8267 -20.6146 -20.6146 -20.6132 -20.6132 -7.5350 -7.5350 -7.5149 -7.5149 -7.4972 -7.4972 -7.4663 -7.4663 -5.8108 -5.8108 -5.6733 -5.6733 -5.5303 -5.5303 -5.4916 -5.4916 -5.4483 -5.4483 -5.3963 -5.3963 -4.8561 -4.8561 -4.8401 -4.8401 -0.7227 -0.7227 -0.4701 -0.4701 5.4360 5.4360 5.6509 5.6509 5.8660 5.8660 6.1368 6.1368 6.3949 6.3949 6.4697 6.4697 7.4773 7.4773 7.9115 7.9115 8.3602 8.3602 8.6992 8.6992 8.9552 8.9552 9.2080 9.2080 k = 0.4250 0.1700 1.2712 ( 6705 PWs) bands (ev): -20.8268 -20.8268 -20.8268 -20.8268 -20.6149 -20.6149 -20.6129 -20.6129 -7.5347 -7.5347 -7.5145 -7.5145 -7.4974 -7.4974 -7.4657 -7.4657 -5.8103 -5.8103 -5.6731 -5.6731 -5.5317 -5.5317 -5.4887 -5.4887 -5.4504 -5.4504 -5.3955 -5.3955 -4.8574 -4.8574 -4.8410 -4.8410 -0.7218 -0.7218 -0.4699 -0.4699 5.4315 5.4315 5.6520 5.6520 5.8573 5.8573 6.1422 6.1422 6.3939 6.3939 6.4781 6.4781 7.4719 7.4719 7.8972 7.8972 8.4068 8.4068 8.6630 8.6630 8.9664 8.9664 9.2052 9.2052 k = 0.4500 0.1800 1.2604 ( 6700 PWs) bands (ev): -20.8268 -20.8268 -20.8268 -20.8268 -20.6152 -20.6152 -20.6126 -20.6126 -7.5343 -7.5343 -7.5140 -7.5140 -7.4975 -7.4975 -7.4650 -7.4650 -5.8097 -5.8097 -5.6730 -5.6730 -5.5328 -5.5328 -5.4866 -5.4866 -5.4521 -5.4521 -5.3947 -5.3947 -4.8590 -4.8590 -4.8420 -4.8420 -0.7208 -0.7208 -0.4696 -0.4696 5.4269 5.4269 5.6527 5.6527 5.8490 5.8490 6.1471 6.1471 6.3927 6.3927 6.4848 6.4848 7.4691 7.4691 7.8882 7.8882 8.4527 8.4527 8.6247 8.6247 8.9766 8.9766 9.1992 9.1992 k = 0.4750 0.1900 1.2497 ( 6698 PWs) bands (ev): -20.8269 -20.8269 -20.8268 -20.8268 -20.6155 -20.6155 -20.6123 -20.6123 -7.5340 -7.5340 -7.5135 -7.5135 -7.4977 -7.4977 -7.4642 -7.4642 -5.8090 -5.8090 -5.6728 -5.6728 -5.5333 -5.5333 -5.4854 -5.4854 -5.4531 -5.4531 -5.3941 -5.3941 -4.8609 -4.8609 -4.8429 -4.8429 -0.7197 -0.7197 -0.4694 -0.4694 5.4223 5.4223 5.6529 5.6529 5.8417 5.8417 6.1514 6.1514 6.3911 6.3911 6.4895 6.4895 7.4697 7.4697 7.8846 7.8846 8.4968 8.4968 8.5849 8.5849 8.9860 8.9860 9.1897 9.1897 k = 0.5000 0.2000 1.2389 ( 6696 PWs) bands (ev): -20.8269 -20.8269 -20.8268 -20.8268 -20.6159 -20.6159 -20.6119 -20.6119 -7.5336 -7.5336 -7.5130 -7.5130 -7.4978 -7.4978 -7.4633 -7.4633 -5.8083 -5.8083 -5.6728 -5.6728 -5.5335 -5.5335 -5.4853 -5.4853 -5.4533 -5.4533 -5.3935 -5.3935 -4.8631 -4.8631 -4.8439 -4.8439 -0.7183 -0.7183 -0.4692 -0.4692 5.4179 5.4179 5.6527 5.6527 5.8356 5.8356 6.1546 6.1546 6.3889 6.3889 6.4919 6.4919 7.4738 7.4738 7.8863 7.8863 8.5267 8.5267 8.5557 8.5557 8.9944 8.9944 9.1773 9.1773 k = 0.5000 0.2000 1.2389 ( 6696 PWs) bands (ev): -20.8269 -20.8269 -20.8268 -20.8268 -20.6159 -20.6159 -20.6119 -20.6119 -7.5336 -7.5336 -7.5130 -7.5130 -7.4978 -7.4978 -7.4633 -7.4633 -5.8083 -5.8083 -5.6728 -5.6728 -5.5335 -5.5335 -5.4853 -5.4853 -5.4533 -5.4533 -5.3935 -5.3935 -4.8631 -4.8631 -4.8439 -4.8439 -0.7183 -0.7183 -0.4692 -0.4692 5.4179 5.4179 5.6527 5.6527 5.8356 5.8356 6.1546 6.1546 6.3889 6.3889 6.4919 6.4919 7.4738 7.4738 7.8863 7.8863 8.5267 8.5267 8.5557 8.5557 8.9944 8.9944 9.1773 9.1773 k = 0.5000 0.2000 1.2079 ( 6692 PWs) bands (ev): -20.8270 -20.8270 -20.8268 -20.8268 -20.6172 -20.6172 -20.6107 -20.6107 -7.5324 -7.5324 -7.5114 -7.5114 -7.4981 -7.4981 -7.4600 -7.4600 -5.8057 -5.8057 -5.6725 -5.6725 -5.5331 -5.5331 -5.4866 -5.4866 -5.4526 -5.4526 -5.3917 -5.3917 -4.8716 -4.8716 -4.8464 -4.8464 -0.7136 -0.7136 -0.4688 -0.4688 5.4039 5.4039 5.6513 5.6513 5.8189 5.8189 6.1622 6.1622 6.3806 6.3806 6.4959 6.4959 7.4933 7.4933 7.9011 7.9011 8.5074 8.5074 8.5720 8.5720 9.0206 9.0206 9.1330 9.1330 k = 0.5000 0.2000 1.1770 ( 6688 PWs) bands (ev): -20.8272 -20.8272 -20.8269 -20.8269 -20.6188 -20.6188 -20.6091 -20.6091 -7.5311 -7.5311 -7.5099 -7.5099 -7.4982 -7.4982 -7.4557 -7.4557 -5.8025 -5.8025 -5.6723 -5.6723 -5.5327 -5.5327 -5.4882 -5.4882 -5.4518 -5.4518 -5.3897 -5.3897 -4.8827 -4.8827 -4.8487 -4.8487 -0.7079 -0.7079 -0.4683 -0.4683 5.3866 5.3866 5.6498 5.6498 5.8008 5.8008 6.1695 6.1695 6.3720 6.3720 6.4996 6.4996 7.5169 7.5169 7.9191 7.9191 8.4842 8.4842 8.5921 8.5921 9.0528 9.0528 9.0814 9.0814 k = 0.5000 0.2000 1.1460 ( 6682 PWs) bands (ev): -20.8273 -20.8273 -20.8269 -20.8269 -20.6207 -20.6207 -20.6073 -20.6073 -7.5298 -7.5298 -7.5087 -7.5087 -7.4979 -7.4979 -7.4501 -7.4501 -5.7986 -5.7986 -5.6719 -5.6719 -5.5321 -5.5321 -5.4898 -5.4898 -5.4509 -5.4509 -5.3872 -5.3872 -4.8963 -4.8963 -4.8509 -4.8509 -0.7012 -0.7012 -0.4680 -0.4680 5.3667 5.3667 5.6464 5.6464 5.7834 5.7834 6.1763 6.1763 6.3639 6.3639 6.5025 6.5025 7.5443 7.5443 7.9403 7.9403 8.4574 8.4574 8.6161 8.6161 9.0219 9.0219 9.0940 9.0940 k = 0.5000 0.2000 1.1150 ( 6678 PWs) bands (ev): -20.8275 -20.8275 -20.8269 -20.8269 -20.6229 -20.6229 -20.6052 -20.6052 -7.5285 -7.5285 -7.5082 -7.5082 -7.4971 -7.4971 -7.4433 -7.4433 -5.7942 -5.7942 -5.6716 -5.6716 -5.5315 -5.5315 -5.4916 -5.4916 -5.4500 -5.4500 -5.3845 -5.3845 -4.9118 -4.9118 -4.8532 -4.8532 -0.6936 -0.6936 -0.4678 -0.4678 5.3451 5.3451 5.6385 5.6385 5.7697 5.7697 6.1824 6.1824 6.3566 6.3566 6.5037 6.5037 7.5751 7.5751 7.9643 7.9643 8.4268 8.4268 8.6436 8.6436 8.9604 8.9604 9.1404 9.1404 k = 0.5000 0.2000 1.0840 ( 6692 PWs) bands (ev): -20.8278 -20.8278 -20.8270 -20.8270 -20.6254 -20.6254 -20.6028 -20.6028 -7.5273 -7.5273 -7.5082 -7.5082 -7.4959 -7.4959 -7.4351 -7.4351 -5.7893 -5.7893 -5.6712 -5.6712 -5.5308 -5.5308 -5.4932 -5.4932 -5.4492 -5.4492 -5.3814 -5.3814 -4.9292 -4.9292 -4.8556 -4.8556 -0.6853 -0.6853 -0.4680 -0.4680 5.3228 5.3228 5.6229 5.6229 5.7632 5.7632 6.1879 6.1879 6.3506 6.3506 6.5026 6.5026 7.6091 7.6091 7.9909 7.9909 8.3919 8.3919 8.6745 8.6745 8.8978 8.8978 9.1937 9.1937 k = 0.5000 0.2000 1.0531 ( 6698 PWs) bands (ev): -20.8280 -20.8280 -20.8271 -20.8271 -20.6282 -20.6282 -20.6001 -20.6001 -7.5262 -7.5262 -7.5086 -7.5086 -7.4945 -7.4945 -7.4256 -7.4256 -5.7838 -5.7838 -5.6707 -5.6707 -5.5301 -5.5301 -5.4948 -5.4948 -5.4483 -5.4483 -5.3780 -5.3780 -4.9480 -4.9480 -4.8581 -4.8581 -0.6763 -0.6763 -0.4685 -0.4685 5.3007 5.3007 5.5987 5.5987 5.7651 5.7651 6.1929 6.1929 6.3461 6.3461 6.4987 6.4987 7.6460 7.6460 8.0198 8.0198 8.3519 8.3519 8.7079 8.7079 8.8372 8.8372 9.2534 9.2534 k = 0.5000 0.2000 1.0221 ( 6708 PWs) bands (ev): -20.8283 -20.8283 -20.8271 -20.8271 -20.6312 -20.6312 -20.5972 -20.5972 -7.5252 -7.5252 -7.5093 -7.5093 -7.4932 -7.4932 -7.4150 -7.4150 -5.7779 -5.7779 -5.6701 -5.6701 -5.5293 -5.5293 -5.4962 -5.4962 -5.4475 -5.4475 -5.3744 -5.3744 -4.9679 -4.9679 -4.8608 -4.8608 -0.6669 -0.6669 -0.4696 -0.4696 5.2796 5.2796 5.5677 5.5677 5.7739 5.7739 6.1970 6.1970 6.3434 6.3434 6.4920 6.4920 7.6857 7.6857 8.0507 8.0507 8.3056 8.3056 8.7393 8.7393 8.7855 8.7855 9.3192 9.3192 k = 0.5000 0.2000 0.9911 ( 6712 PWs) bands (ev): -20.8286 -20.8286 -20.8272 -20.8272 -20.6344 -20.6344 -20.5940 -20.5940 -7.5244 -7.5244 -7.5100 -7.5100 -7.4920 -7.4920 -7.4033 -7.4033 -5.7717 -5.7717 -5.6695 -5.6695 -5.5286 -5.5286 -5.4974 -5.4974 -5.4467 -5.4467 -5.3704 -5.3704 -4.9888 -4.9888 -4.8635 -4.8635 -0.6571 -0.6571 -0.4713 -0.4713 5.2605 5.2605 5.5324 5.5324 5.7877 5.7877 6.1999 6.1999 6.3425 6.3425 6.4827 6.4827 7.7280 7.7280 8.0835 8.0835 8.2521 8.2521 8.7194 8.7194 8.7938 8.7938 9.3901 9.3901 k = 0.5000 0.2000 0.9601 ( 6704 PWs) bands (ev): -20.8290 -20.8290 -20.8273 -20.8273 -20.6378 -20.6378 -20.5906 -20.5906 -7.5239 -7.5239 -7.5108 -7.5108 -7.4909 -7.4909 -7.3907 -7.3907 -5.7653 -5.7653 -5.6687 -5.6687 -5.5280 -5.5280 -5.4982 -5.4982 -5.4461 -5.4461 -5.3661 -5.3661 -5.0103 -5.0103 -4.8664 -4.8664 -0.6471 -0.6471 -0.4738 -0.4738 5.2438 5.2438 5.4948 5.4948 5.8052 5.8052 6.2008 6.2008 6.3431 6.3431 6.4718 6.4718 7.7728 7.7728 8.1178 8.1178 8.1910 8.1910 8.6767 8.6767 8.8344 8.8344 9.4646 9.4646 k = 0.5000 0.2000 0.9292 ( 6708 PWs) bands (ev): -20.8293 -20.8293 -20.8274 -20.8274 -20.6414 -20.6414 -20.5870 -20.5870 -7.5237 -7.5237 -7.5115 -7.5115 -7.4898 -7.4898 -7.3773 -7.3773 -5.7589 -5.7589 -5.6677 -5.6677 -5.5274 -5.5274 -5.4988 -5.4988 -5.4455 -5.4455 -5.3615 -5.3615 -5.0320 -5.0320 -4.8693 -4.8693 -0.6370 -0.6370 -0.4771 -0.4771 5.2302 5.2302 5.4565 5.4565 5.8254 5.8254 6.1993 6.1993 6.3444 6.3444 6.4609 6.4609 7.8199 7.8199 8.1220 8.1220 8.1543 8.1543 8.6388 8.6388 8.8792 8.8792 9.5403 9.5403 k = 0.5000 0.2000 0.8982 ( 6698 PWs) bands (ev): -20.8297 -20.8297 -20.8276 -20.8276 -20.6452 -20.6452 -20.5833 -20.5833 -7.5239 -7.5239 -7.5122 -7.5122 -7.4888 -7.4888 -7.3634 -7.3634 -5.7528 -5.7528 -5.6663 -5.6663 -5.5270 -5.5270 -5.4989 -5.4989 -5.4449 -5.4449 -5.3564 -5.3564 -5.0536 -5.0536 -4.8722 -4.8722 -0.6270 -0.6270 -0.4814 -0.4814 5.2199 5.2199 5.4186 5.4186 5.8477 5.8477 6.1948 6.1948 6.3442 6.3442 6.4529 6.4529 7.8692 7.8692 8.0480 8.0480 8.1912 8.1912 8.6065 8.6065 8.9263 8.9263 9.6133 9.6133 k = 0.5000 0.2000 0.8672 ( 6696 PWs) bands (ev): -20.8301 -20.8301 -20.8277 -20.8277 -20.6491 -20.6491 -20.5793 -20.5793 -7.5244 -7.5244 -7.5128 -7.5128 -7.4877 -7.4877 -7.3491 -7.3491 -5.7473 -5.7473 -5.6644 -5.6644 -5.5268 -5.5268 -5.4988 -5.4988 -5.4444 -5.4444 -5.3510 -5.3510 -5.0749 -5.0749 -4.8750 -4.8750 -0.6173 -0.6173 -0.4867 -0.4867 5.2133 5.2133 5.3822 5.3822 5.8718 5.8718 6.1874 6.1874 6.3396 6.3396 6.4511 6.4511 7.9195 7.9195 7.9701 7.9701 8.2295 8.2295 8.5787 8.5787 8.9752 8.9752 9.6772 9.6772 k = 0.5000 0.2000 0.8363 ( 6704 PWs) bands (ev): -20.8305 -20.8305 -20.8279 -20.8279 -20.6531 -20.6531 -20.5752 -20.5752 -7.5253 -7.5253 -7.5136 -7.5136 -7.4866 -7.4866 -7.3345 -7.3345 -5.7429 -5.7429 -5.6618 -5.6618 -5.5268 -5.5268 -5.4983 -5.4983 -5.4438 -5.4438 -5.3450 -5.3450 -5.0955 -5.0955 -4.8778 -4.8778 -0.6080 -0.6080 -0.4931 -0.4931 5.2105 5.2105 5.3479 5.3479 5.8971 5.8971 6.1770 6.1770 6.3295 6.3295 6.4574 6.4574 7.8853 7.8853 7.9754 7.9754 8.2689 8.2689 8.5542 8.5542 9.0252 9.0252 9.7226 9.7226 k = 0.5000 0.2000 0.8053 ( 6688 PWs) bands (ev): -20.8309 -20.8309 -20.8281 -20.8281 -20.6572 -20.6572 -20.5710 -20.5710 -7.5265 -7.5265 -7.5145 -7.5145 -7.4853 -7.4853 -7.3198 -7.3198 -5.7398 -5.7398 -5.6582 -5.6582 -5.5269 -5.5269 -5.4974 -5.4974 -5.4432 -5.4432 -5.3386 -5.3386 -5.1151 -5.1151 -4.8804 -4.8804 -0.5993 -0.5993 -0.5007 -0.5007 5.2115 5.2115 5.3165 5.3165 5.9234 5.9234 6.1640 6.1640 6.3155 6.3155 6.4707 6.4707 7.8019 7.8019 8.0300 8.0300 8.3092 8.3092 8.5319 8.5319 9.0757 9.0757 9.7364 9.7364 k = 0.5000 0.2000 0.7743 ( 6704 PWs) bands (ev): -20.8313 -20.8313 -20.8283 -20.8283 -20.6614 -20.6614 -20.5667 -20.5667 -7.5280 -7.5280 -7.5156 -7.5156 -7.4838 -7.4838 -7.3051 -7.3051 -5.7384 -5.7384 -5.6538 -5.6538 -5.5272 -5.5272 -5.4964 -5.4964 -5.4424 -5.4424 -5.3316 -5.3316 -5.1334 -5.1334 -4.8829 -4.8829 -0.5912 -0.5912 -0.5093 -0.5093 5.2162 5.2162 5.2885 5.2885 5.9498 5.9498 6.1494 6.1494 6.2998 6.2998 6.4888 6.4888 7.7172 7.7172 8.0864 8.0864 8.3504 8.3504 8.5109 8.5109 9.1258 9.1258 9.7009 9.7009 k = 0.5000 0.2000 0.7433 ( 6700 PWs) bands (ev): -20.8317 -20.8317 -20.8285 -20.8285 -20.6657 -20.6657 -20.5623 -20.5623 -7.5298 -7.5298 -7.5170 -7.5170 -7.4821 -7.4821 -7.2906 -7.2906 -5.7389 -5.7389 -5.6484 -5.6484 -5.5277 -5.5277 -5.4950 -5.4950 -5.4415 -5.4415 -5.3241 -5.3241 -5.1502 -5.1502 -4.8850 -4.8850 -0.5841 -0.5841 -0.5190 -0.5190 5.2242 5.2242 5.2644 5.2644 5.9751 5.9751 6.1350 6.1350 6.2843 6.2843 6.5100 6.5100 7.6325 7.6325 8.1440 8.1440 8.3923 8.3923 8.4907 8.4907 9.1747 9.1747 9.6386 9.6386 k = 0.5000 0.2000 0.7124 ( 6700 PWs) bands (ev): -20.8321 -20.8321 -20.8288 -20.8288 -20.6699 -20.6699 -20.5578 -20.5578 -7.5318 -7.5318 -7.5187 -7.5187 -7.4803 -7.4803 -7.2762 -7.2762 -5.7412 -5.7412 -5.6423 -5.6423 -5.5282 -5.5282 -5.4934 -5.4934 -5.4403 -5.4403 -5.3161 -5.3161 -5.1652 -5.1652 -4.8868 -4.8868 -0.5780 -0.5780 -0.5297 -0.5297 5.2350 5.2350 5.2445 5.2445 5.9966 5.9966 6.1246 6.1246 6.2697 6.2697 6.5331 6.5331 7.5486 7.5486 8.2024 8.2024 8.4347 8.4347 8.4708 8.4708 9.2208 9.2208 9.5694 9.5694 k = 0.5000 0.2000 0.6814 ( 6700 PWs) bands (ev): -20.8326 -20.8326 -20.8291 -20.8291 -20.6742 -20.6742 -20.5533 -20.5533 -7.5341 -7.5341 -7.5205 -7.5205 -7.4783 -7.4783 -7.2623 -7.2623 -5.7453 -5.7453 -5.6359 -5.6359 -5.5289 -5.5289 -5.4913 -5.4913 -5.4390 -5.4390 -5.3077 -5.3077 -5.1783 -5.1783 -4.8881 -4.8881 -0.5733 -0.5733 -0.5409 -0.5409 5.2290 5.2290 5.2480 5.2480 6.0096 6.0096 6.1244 6.1244 6.2565 6.2565 6.5572 6.5572 7.4661 7.4661 8.2611 8.2611 8.4508 8.4508 8.4777 8.4777 9.2617 9.2617 9.4979 9.4979 k = 0.5000 0.2000 0.6504 ( 6700 PWs) bands (ev): -20.8330 -20.8330 -20.8294 -20.8294 -20.6784 -20.6784 -20.5488 -20.5488 -7.5368 -7.5368 -7.5224 -7.5224 -7.4761 -7.4761 -7.2487 -7.2487 -5.7510 -5.7510 -5.6295 -5.6295 -5.5294 -5.5294 -5.4887 -5.4887 -5.4376 -5.4376 -5.2993 -5.2993 -5.1893 -5.1893 -4.8889 -4.8889 -0.5714 -0.5714 -0.5515 -0.5515 5.2181 5.2181 5.2622 5.2622 6.0117 6.0117 6.1380 6.1380 6.2448 6.2448 6.5815 6.5815 7.3854 7.3854 8.3193 8.3193 8.4317 8.4317 8.5203 8.5203 9.2906 9.2906 9.4301 9.4301 k = 0.5000 0.2000 0.6195 ( 6698 PWs) bands (ev): -20.8334 -20.8334 -20.8297 -20.8297 -20.6825 -20.6825 -20.5443 -20.5443 -7.5398 -7.5398 -7.5244 -7.5244 -7.4739 -7.4739 -7.2357 -7.2357 -5.7581 -5.7581 -5.6233 -5.6233 -5.5298 -5.5298 -5.4856 -5.4856 -5.4361 -5.4361 -5.2911 -5.2911 -5.1978 -5.1978 -4.8890 -4.8890 -0.5765 -0.5765 -0.5569 -0.5569 5.2117 5.2117 5.2767 5.2767 6.0076 6.0076 6.1617 6.1617 6.2355 6.2355 6.6052 6.6052 7.3071 7.3071 8.3723 8.3723 8.4172 8.4172 8.5622 8.5622 9.2823 9.2823 9.3747 9.3747 k = 0.5000 0.2000 0.5885 ( 6710 PWs) bands (ev): -20.8339 -20.8339 -20.8301 -20.8301 -20.6866 -20.6866 -20.5398 -20.5398 -7.5433 -7.5433 -7.5263 -7.5263 -7.4716 -7.4716 -7.2232 -7.2232 -5.7664 -5.7664 -5.6178 -5.6178 -5.5299 -5.5299 -5.4819 -5.4819 -5.4347 -5.4347 -5.2838 -5.2838 -5.2035 -5.2035 -4.8883 -4.8883 -0.5887 -0.5887 -0.5572 -0.5572 5.2096 5.2096 5.2902 5.2902 6.0041 6.0041 6.1862 6.1862 6.2329 6.2329 6.6276 6.6276 7.2316 7.2316 8.3806 8.3806 8.4463 8.4463 8.6021 8.6021 9.2240 9.2240 9.2936 9.2936 k = 0.5000 0.2000 0.5575 ( 6706 PWs) bands (ev): -20.8343 -20.8343 -20.8305 -20.8305 -20.6906 -20.6906 -20.5354 -20.5354 -7.5473 -7.5473 -7.5281 -7.5281 -7.4692 -7.4692 -7.2114 -7.2114 -5.7757 -5.7757 -5.6130 -5.6130 -5.5296 -5.5296 -5.4775 -5.4775 -5.4333 -5.4333 -5.2780 -5.2780 -5.2060 -5.2060 -4.8867 -4.8867 -0.6034 -0.6034 -0.5567 -0.5567 5.2112 5.2112 5.3021 5.3021 6.0055 6.0055 6.1951 6.1951 6.2504 6.2504 6.6480 6.6480 7.1594 7.1594 8.3618 8.3618 8.5012 8.5012 8.6380 8.6380 9.1490 9.1490 9.2080 9.2080 k = 0.5000 0.2000 0.5265 ( 6712 PWs) bands (ev): -20.8347 -20.8347 -20.8309 -20.8309 -20.6945 -20.6945 -20.5311 -20.5311 -7.5516 -7.5516 -7.5298 -7.5298 -7.4668 -7.4668 -7.2002 -7.2002 -5.7857 -5.7857 -5.6091 -5.6091 -5.5287 -5.5287 -5.4726 -5.4726 -5.4320 -5.4320 -5.2743 -5.2743 -5.2051 -5.2051 -4.8841 -4.8841 -0.6192 -0.6192 -0.5566 -0.5566 5.2152 5.2152 5.3124 5.3124 6.0143 6.0143 6.1905 6.1905 6.2846 6.2846 6.6656 6.6656 7.0909 7.0909 8.3400 8.3400 8.5575 8.5575 8.6657 8.6657 9.0718 9.0718 9.1287 9.1287 k = 0.5000 0.2000 0.4956 ( 6714 PWs) bands (ev): -20.8351 -20.8351 -20.8314 -20.8314 -20.6982 -20.6982 -20.5268 -20.5268 -7.5562 -7.5562 -7.5314 -7.5314 -7.4644 -7.4644 -7.1897 -7.1897 -5.7962 -5.7962 -5.6060 -5.6060 -5.5274 -5.5274 -5.4670 -5.4670 -5.4310 -5.4310 -5.2727 -5.2727 -5.2013 -5.2013 -4.8803 -4.8803 -0.6356 -0.6356 -0.5573 -0.5573 5.2196 5.2196 5.3225 5.3225 6.0318 6.0318 6.1827 6.1827 6.3243 6.3243 6.6796 6.6796 7.0269 7.0269 8.3169 8.3169 8.6129 8.6129 8.6773 8.6773 8.9969 8.9969 9.0642 9.0642 k = 0.5000 0.2000 0.4646 ( 6706 PWs) bands (ev): -20.8355 -20.8355 -20.8318 -20.8318 -20.7018 -20.7018 -20.5227 -20.5227 -7.5612 -7.5612 -7.5329 -7.5329 -7.4621 -7.4621 -7.1799 -7.1799 -5.8070 -5.8070 -5.6037 -5.6037 -5.5255 -5.5255 -5.4611 -5.4611 -5.4301 -5.4301 -5.2728 -5.2728 -5.1954 -5.1954 -4.8752 -4.8752 -0.6523 -0.6523 -0.5587 -0.5587 5.2212 5.2212 5.3351 5.3351 6.0580 6.0580 6.1743 6.1743 6.3661 6.3661 6.6894 6.6894 6.9683 6.9683 8.2928 8.2928 8.6542 8.6542 8.6751 8.6751 8.9259 8.9259 9.0262 9.0262 k = 0.5000 0.2000 0.4336 ( 6706 PWs) bands (ev): -20.8359 -20.8359 -20.8323 -20.8323 -20.7052 -20.7052 -20.5188 -20.5188 -7.5663 -7.5663 -7.5342 -7.5342 -7.4598 -7.4598 -7.1709 -7.1709 -5.8178 -5.8178 -5.6022 -5.6022 -5.5232 -5.5232 -5.4548 -5.4548 -5.4294 -5.4294 -5.2738 -5.2738 -5.1885 -5.1885 -4.8689 -4.8689 -0.6691 -0.6691 -0.5609 -0.5609 5.2174 5.2174 5.3533 5.3533 6.0922 6.0922 6.1659 6.1659 6.4085 6.4085 6.6944 6.6944 6.9161 6.9161 8.2675 8.2675 8.6110 8.6110 8.7256 8.7256 8.8583 8.8583 9.0209 9.0209 k = 0.5000 0.2000 0.4026 ( 6710 PWs) bands (ev): -20.8362 -20.8362 -20.8328 -20.8328 -20.7084 -20.7084 -20.5150 -20.5150 -7.5715 -7.5715 -7.5354 -7.5354 -7.4575 -7.4575 -7.1625 -7.1625 -5.8286 -5.8286 -5.6012 -5.6012 -5.5205 -5.5205 -5.4484 -5.4484 -5.4286 -5.4286 -5.2753 -5.2753 -5.1814 -5.1814 -4.8613 -4.8613 -0.6857 -0.6857 -0.5637 -0.5637 5.2074 5.2074 5.3786 5.3786 6.1318 6.1318 6.1587 6.1587 6.4493 6.4493 6.6950 6.6950 6.8719 6.8719 8.2410 8.2410 8.5411 8.5411 8.7806 8.7806 8.7945 8.7945 9.0398 9.0398 k = 0.5000 0.2000 0.3717 ( 6714 PWs) bands (ev): -20.8366 -20.8366 -20.8333 -20.8333 -20.7115 -20.7115 -20.5114 -20.5114 -7.5767 -7.5767 -7.5366 -7.5366 -7.4554 -7.4554 -7.1549 -7.1549 -5.8390 -5.8390 -5.6007 -5.6007 -5.5176 -5.5176 -5.4424 -5.4424 -5.4276 -5.4276 -5.2770 -5.2770 -5.1746 -5.1746 -4.8526 -4.8526 -0.7021 -0.7021 -0.5670 -0.5670 5.1922 5.1922 5.4108 5.4108 6.1471 6.1471 6.1806 6.1806 6.4846 6.4846 6.6937 6.6937 6.8373 6.8373 8.2131 8.2131 8.4593 8.4593 8.7354 8.7354 8.8372 8.8372 9.0721 9.0721 k = 0.5000 0.2000 0.3407 ( 6716 PWs) bands (ev): -20.8369 -20.8369 -20.8338 -20.8338 -20.7143 -20.7143 -20.5080 -20.5080 -7.5819 -7.5819 -7.5376 -7.5376 -7.4533 -7.4533 -7.1479 -7.1479 -5.8490 -5.8490 -5.6004 -5.6004 -5.5145 -5.5145 -5.4378 -5.4378 -5.4254 -5.4254 -5.2788 -5.2788 -5.1686 -5.1686 -4.8430 -4.8430 -0.7180 -0.7180 -0.5706 -0.5706 5.1736 5.1736 5.4488 5.4488 6.1401 6.1401 6.2272 6.2272 6.5082 6.5082 6.6952 6.6952 6.8144 6.8144 8.1839 8.1839 8.3723 8.3723 8.6819 8.6819 8.8956 8.8956 9.1108 9.1108 k = 0.5000 0.2000 0.3097 ( 6720 PWs) bands (ev): -20.8372 -20.8372 -20.8343 -20.8343 -20.7168 -20.7168 -20.5048 -20.5048 -7.5870 -7.5870 -7.5386 -7.5386 -7.4514 -7.4514 -7.1416 -7.1416 -5.8584 -5.8584 -5.6004 -5.6004 -5.5113 -5.5113 -5.4355 -5.4355 -5.4211 -5.4211 -5.2806 -5.2806 -5.1634 -5.1634 -4.8326 -4.8326 -0.7332 -0.7332 -0.5746 -0.5746 5.1531 5.1531 5.4919 5.4919 6.1328 6.1328 6.2736 6.2736 6.5143 6.5143 6.7018 6.7018 6.8078 6.8078 8.1535 8.1535 8.2837 8.2837 8.6341 8.6341 8.9568 8.9568 9.1522 9.1522 k = 0.5000 0.2000 0.2788 ( 6724 PWs) bands (ev): -20.8375 -20.8375 -20.8347 -20.8347 -20.7192 -20.7192 -20.5019 -20.5019 -7.5919 -7.5919 -7.5394 -7.5394 -7.4496 -7.4496 -7.1360 -7.1360 -5.8672 -5.8672 -5.6005 -5.6005 -5.5082 -5.5082 -5.4350 -5.4350 -5.4153 -5.4153 -5.2824 -5.2824 -5.1591 -5.1591 -4.8218 -4.8218 -0.7475 -0.7475 -0.5786 -0.5786 5.1318 5.1318 5.5394 5.5394 6.1258 6.1258 6.3154 6.3154 6.5051 6.5051 6.7065 6.7065 6.8249 6.8249 8.1221 8.1221 8.1955 8.1955 8.5922 8.5922 9.0213 9.0213 9.1872 9.1872 k = 0.5000 0.2000 0.2478 ( 6726 PWs) bands (ev): -20.8377 -20.8377 -20.8352 -20.8352 -20.7213 -20.7213 -20.4992 -20.4992 -7.5964 -7.5964 -7.5402 -7.5402 -7.4480 -7.4480 -7.1311 -7.1311 -5.8752 -5.8752 -5.6008 -5.6008 -5.5050 -5.5050 -5.4354 -5.4354 -5.4090 -5.4090 -5.2841 -5.2841 -5.1556 -5.1556 -4.8109 -4.8109 -0.7608 -0.7608 -0.5827 -0.5827 5.1108 5.1108 5.5904 5.5904 6.1194 6.1194 6.3479 6.3479 6.4871 6.4871 6.7077 6.7077 6.8638 6.8638 8.0891 8.0891 8.1102 8.1102 8.5559 8.5559 9.0896 9.0896 9.1784 9.1784 k = 0.5000 0.2000 0.2168 ( 6734 PWs) bands (ev): -20.8379 -20.8379 -20.8356 -20.8356 -20.7232 -20.7232 -20.4969 -20.4969 -7.6007 -7.6007 -7.5409 -7.5409 -7.4465 -7.4465 -7.1268 -7.1268 -5.8823 -5.8823 -5.6010 -5.6010 -5.5019 -5.5019 -5.4363 -5.4363 -5.4028 -5.4028 -5.2858 -5.2858 -5.1530 -5.1530 -4.8004 -4.8004 -0.7730 -0.7730 -0.5866 -0.5866 5.0907 5.0907 5.6443 5.6443 6.1135 6.1135 6.3669 6.3669 6.4645 6.4645 6.7133 6.7133 6.9151 6.9151 8.0230 8.0230 8.0608 8.0608 8.5248 8.5248 9.1566 9.1566 9.1753 9.1753 k = 0.5000 0.2000 0.1858 ( 6730 PWs) bands (ev): -20.8381 -20.8381 -20.8360 -20.8360 -20.7248 -20.7248 -20.4948 -20.4948 -7.6045 -7.6045 -7.5415 -7.5415 -7.4452 -7.4452 -7.1231 -7.1231 -5.8886 -5.8886 -5.6013 -5.6013 -5.4990 -5.4990 -5.4373 -5.4373 -5.3969 -5.3969 -5.2875 -5.2875 -5.1510 -5.1510 -4.7904 -4.7904 -0.7838 -0.7838 -0.5903 -0.5903 5.0723 5.0723 5.7003 5.7003 6.1083 6.1083 6.3719 6.3719 6.4374 6.4374 6.7290 6.7290 6.9718 6.9718 7.9429 7.9429 8.0298 8.0298 8.4986 8.4986 9.1611 9.1611 9.2411 9.2411 k = 0.5000 0.2000 0.1549 ( 6742 PWs) bands (ev): -20.8383 -20.8383 -20.8363 -20.8363 -20.7262 -20.7262 -20.4930 -20.4930 -7.6078 -7.6078 -7.5420 -7.5420 -7.4441 -7.4441 -7.1200 -7.1200 -5.8939 -5.8939 -5.6015 -5.6015 -5.4963 -5.4963 -5.4385 -5.4385 -5.3915 -5.3915 -5.2890 -5.2890 -5.1496 -5.1496 -4.7814 -4.7814 -0.7932 -0.7932 -0.5936 -0.5936 5.0560 5.0560 5.7575 5.7575 6.1040 6.1040 6.3673 6.3673 6.4044 6.4044 6.7542 6.7542 7.0300 7.0300 7.8670 7.8670 8.0011 8.0011 8.4768 8.4768 9.1575 9.1575 9.3195 9.3195 k = 0.5000 0.2000 0.1239 ( 6754 PWs) bands (ev): -20.8384 -20.8384 -20.8366 -20.8366 -20.7273 -20.7273 -20.4915 -20.4915 -7.6106 -7.6106 -7.5424 -7.5424 -7.4432 -7.4432 -7.1175 -7.1175 -5.8983 -5.8983 -5.6018 -5.6018 -5.4940 -5.4940 -5.4396 -5.4396 -5.3868 -5.3868 -5.2905 -5.2905 -5.1486 -5.1486 -4.7737 -4.7737 -0.8010 -0.8010 -0.5964 -0.5964 5.0421 5.0421 5.8146 5.8146 6.1008 6.1008 6.3585 6.3585 6.3655 6.3655 6.7843 6.7843 7.0865 7.0865 7.7971 7.7971 7.9752 7.9752 8.4591 8.4591 9.1552 9.1552 9.3745 9.3745 k = 0.5000 0.2000 0.0929 ( 6754 PWs) bands (ev): -20.8385 -20.8385 -20.8368 -20.8368 -20.7282 -20.7282 -20.4903 -20.4903 -7.6128 -7.6128 -7.5427 -7.5427 -7.4424 -7.4424 -7.1156 -7.1156 -5.9017 -5.9017 -5.6020 -5.6020 -5.4920 -5.4920 -5.4407 -5.4407 -5.3829 -5.3829 -5.2917 -5.2917 -5.1479 -5.1479 -4.7673 -4.7673 -0.8072 -0.8072 -0.5987 -0.5987 5.0310 5.0310 5.8695 5.8695 6.0990 6.0990 6.3225 6.3225 6.3496 6.3496 6.8141 6.8141 7.1384 7.1384 7.7352 7.7352 7.9531 7.9531 8.4454 8.4454 9.1540 9.1540 9.3984 9.3984 k = 0.5000 0.2000 0.0619 ( 6766 PWs) bands (ev): -20.8386 -20.8386 -20.8370 -20.8370 -20.7288 -20.7288 -20.4895 -20.4895 -7.6145 -7.6145 -7.5430 -7.5430 -7.4419 -7.4419 -7.1142 -7.1142 -5.9042 -5.9042 -5.6021 -5.6021 -5.4905 -5.4905 -5.4415 -5.4415 -5.3800 -5.3800 -5.2927 -5.2927 -5.1475 -5.1475 -4.7627 -4.7627 -0.8117 -0.8117 -0.6004 -0.6004 5.0229 5.0229 5.9186 5.9186 6.0992 6.0992 6.2799 6.2799 6.3421 6.3421 6.8390 6.8390 7.1818 7.1818 7.6847 7.6847 7.9360 7.9360 8.4356 8.4356 9.1535 9.1535 9.4146 9.4146 k = 0.5000 0.2000 0.0310 ( 6770 PWs) bands (ev): -20.8387 -20.8387 -20.8371 -20.8371 -20.7292 -20.7292 -20.4890 -20.4890 -7.6154 -7.6154 -7.5431 -7.5431 -7.4416 -7.4416 -7.1134 -7.1134 -5.9057 -5.9057 -5.6022 -5.6022 -5.4895 -5.4895 -5.4420 -5.4420 -5.3782 -5.3782 -5.2933 -5.2933 -5.1473 -5.1473 -4.7599 -4.7599 -0.8144 -0.8144 -0.6014 -0.6014 5.0180 5.0180 5.9549 5.9549 6.1019 6.1019 6.2446 6.2446 6.3373 6.3373 6.8556 6.8556 7.2118 7.2118 7.6505 7.6505 7.9252 7.9252 8.4297 8.4297 9.1534 9.1534 9.4220 9.4220 k = 0.5000 0.2000 0.0000 ( 6774 PWs) bands (ev): -20.8387 -20.8387 -20.8371 -20.8371 -20.7293 -20.7293 -20.4889 -20.4889 -7.6158 -7.6158 -7.5432 -7.5432 -7.4415 -7.4415 -7.1131 -7.1131 -5.9062 -5.9062 -5.6022 -5.6022 -5.4892 -5.4892 -5.4422 -5.4422 -5.3776 -5.3776 -5.2935 -5.2935 -5.1472 -5.1472 -4.7589 -4.7589 -0.8153 -0.8153 -0.6018 -0.6018 5.0164 5.0164 5.9688 5.9688 6.1040 6.1040 6.2297 6.2297 6.3357 6.3357 6.8615 6.8615 7.2227 7.2227 7.6381 7.6381 7.9215 7.9215 8.4277 8.4277 9.1534 9.1534 9.4231 9.4231 k = 0.0000 0.0000 1.3466 ( 6702 PWs) bands (ev): -20.8268 -20.8268 -20.8267 -20.8267 -20.6139 -20.6139 -20.6139 -20.6139 -7.5360 -7.5360 -7.5156 -7.5156 -7.4970 -7.4970 -7.4680 -7.4680 -5.8122 -5.8122 -5.6732 -5.6732 -5.5338 -5.5338 -5.4828 -5.4828 -5.4547 -5.4547 -5.3962 -5.3962 -4.8528 -4.8528 -4.8372 -4.8372 -0.7256 -0.7256 -0.4701 -0.4701 5.4390 5.4390 5.6562 5.6562 5.8658 5.8658 6.1378 6.1378 6.4046 6.4046 6.4842 6.4842 7.4425 7.4425 7.8626 7.8626 8.5310 8.5310 8.5598 8.5598 8.9533 8.9533 9.2493 9.2493 k = 0.0278 0.0111 1.3466 ( 6706 PWs) bands (ev): -20.8268 -20.8268 -20.8267 -20.8267 -20.6139 -20.6139 -20.6139 -20.6139 -7.5360 -7.5360 -7.5156 -7.5156 -7.4970 -7.4970 -7.4680 -7.4680 -5.8122 -5.8122 -5.6732 -5.6732 -5.5335 -5.5335 -5.4837 -5.4837 -5.4540 -5.4540 -5.3963 -5.3963 -4.8528 -4.8528 -4.8372 -4.8372 -0.7256 -0.7256 -0.4701 -0.4701 5.4393 5.4393 5.6559 5.6559 5.8666 5.8666 6.1373 6.1373 6.4045 6.4045 6.4824 6.4824 7.4446 7.4446 7.8658 7.8658 8.4942 8.4942 8.5946 8.5946 8.9522 8.9522 9.2477 9.2477 k = 0.0556 0.0222 1.3466 ( 6702 PWs) bands (ev): -20.8268 -20.8268 -20.8267 -20.8267 -20.6139 -20.6139 -20.6139 -20.6139 -7.5360 -7.5360 -7.5157 -7.5157 -7.4970 -7.4970 -7.4680 -7.4680 -5.8122 -5.8122 -5.6732 -5.6732 -5.5327 -5.5327 -5.4859 -5.4859 -5.4522 -5.4522 -5.3966 -5.3966 -4.8528 -4.8528 -4.8372 -4.8372 -0.7255 -0.7255 -0.4702 -0.4702 5.4403 5.4403 5.6550 5.6550 5.8692 5.8692 6.1359 6.1359 6.4045 6.4045 6.4772 6.4772 7.4507 7.4507 7.8751 7.8751 8.4445 8.4445 8.6381 8.6381 8.9491 8.9491 9.2431 9.2431 k = 0.0833 0.0333 1.3466 ( 6702 PWs) bands (ev): -20.8268 -20.8268 -20.8267 -20.8267 -20.6139 -20.6139 -20.6139 -20.6139 -7.5359 -7.5359 -7.5158 -7.5158 -7.4970 -7.4970 -7.4680 -7.4680 -5.8122 -5.8122 -5.6733 -5.6733 -5.5313 -5.5313 -5.4892 -5.4892 -5.4498 -5.4498 -5.3971 -5.3971 -4.8528 -4.8528 -4.8372 -4.8372 -0.7255 -0.7255 -0.4703 -0.4703 5.4418 5.4418 5.6535 5.6535 5.8732 5.8732 6.1335 6.1335 6.4043 6.4043 6.4692 6.4692 7.4600 7.4600 7.8905 7.8905 8.3930 8.3930 8.6796 8.6796 8.9439 8.9439 9.2360 9.2360 k = 0.1111 0.0444 1.3466 ( 6720 PWs) bands (ev): -20.8268 -20.8268 -20.8267 -20.8267 -20.6139 -20.6139 -20.6139 -20.6139 -7.5359 -7.5359 -7.5158 -7.5158 -7.4969 -7.4969 -7.4680 -7.4680 -5.8122 -5.8122 -5.6735 -5.6735 -5.5295 -5.5295 -5.4930 -5.4930 -5.4472 -5.4472 -5.3976 -5.3976 -4.8528 -4.8528 -4.8372 -4.8372 -0.7254 -0.7254 -0.4704 -0.4704 5.4437 5.4437 5.6518 5.6518 5.8784 5.8784 6.1304 6.1304 6.4043 6.4043 6.4596 6.4596 7.4713 7.4713 7.9117 7.9117 8.3408 8.3408 8.7182 8.7182 8.9365 8.9365 9.2273 9.2273 k = 0.1389 0.0555 1.3466 ( 6732 PWs) bands (ev): -20.8268 -20.8268 -20.8267 -20.8267 -20.6139 -20.6139 -20.6139 -20.6139 -7.5358 -7.5358 -7.5159 -7.5159 -7.4969 -7.4969 -7.4680 -7.4680 -5.8121 -5.8121 -5.6736 -5.6736 -5.5271 -5.5271 -5.4971 -5.4971 -5.4447 -5.4447 -5.3983 -5.3983 -4.8528 -4.8528 -4.8372 -4.8372 -0.7252 -0.7252 -0.4705 -0.4705 5.4458 5.4458 5.6498 5.6498 5.8841 5.8841 6.1268 6.1268 6.4043 6.4043 6.4494 6.4494 7.4832 7.4832 7.9383 7.9383 8.2885 8.2885 8.7538 8.7538 8.9269 8.9269 9.2180 9.2180 k = 0.1667 0.0667 1.3466 ( 6726 PWs) bands (ev): -20.8268 -20.8268 -20.8267 -20.8267 -20.6139 -20.6139 -20.6139 -20.6139 -7.5358 -7.5358 -7.5160 -7.5160 -7.4968 -7.4968 -7.4680 -7.4680 -5.8121 -5.8121 -5.6737 -5.6737 -5.5244 -5.5244 -5.5014 -5.5014 -5.4424 -5.4424 -5.3989 -5.3989 -4.8528 -4.8528 -4.8372 -4.8372 -0.7251 -0.7251 -0.4706 -0.4706 5.4478 5.4478 5.6479 5.6479 5.8898 5.8898 6.1231 6.1231 6.4046 6.4046 6.4397 6.4397 7.4944 7.4944 7.9699 7.9699 8.2367 8.2367 8.7861 8.7861 8.9148 8.9148 9.2093 9.2093 k = 0.1944 0.0778 1.3466 ( 6744 PWs) bands (ev): -20.8268 -20.8268 -20.8267 -20.8267 -20.6139 -20.6139 -20.6139 -20.6139 -7.5357 -7.5357 -7.5161 -7.5161 -7.4968 -7.4968 -7.4680 -7.4680 -5.8121 -5.8121 -5.6738 -5.6738 -5.5212 -5.5212 -5.5056 -5.5056 -5.4407 -5.4407 -5.3995 -5.3995 -4.8528 -4.8528 -4.8372 -4.8372 -0.7251 -0.7251 -0.4707 -0.4707 5.4494 5.4494 5.6464 5.6464 5.8948 5.8948 6.1198 6.1198 6.4052 6.4052 6.4317 6.4317 7.5034 7.5034 8.0060 8.0060 8.1861 8.1861 8.8153 8.8153 8.9002 8.9002 9.2021 9.2021 k = 0.2222 0.0889 1.3466 ( 6744 PWs) bands (ev): -20.8268 -20.8268 -20.8267 -20.8267 -20.6139 -20.6139 -20.6139 -20.6139 -7.5357 -7.5357 -7.5162 -7.5162 -7.4968 -7.4968 -7.4680 -7.4680 -5.8121 -5.8121 -5.6739 -5.6739 -5.5177 -5.5177 -5.5098 -5.5098 -5.4396 -5.4396 -5.3998 -5.3998 -4.8528 -4.8528 -4.8372 -4.8372 -0.7250 -0.7250 -0.4708 -0.4708 5.4505 5.4505 5.6453 5.6453 5.8981 5.8981 6.1176 6.1176 6.4058 6.4058 6.4262 6.4262 7.5093 7.5093 8.0462 8.0462 8.1372 8.1372 8.8412 8.8412 8.8831 8.8831 9.1975 9.1975 k = 0.2500 0.1000 1.3466 ( 6732 PWs) bands (ev): -20.8268 -20.8268 -20.8267 -20.8267 -20.6139 -20.6139 -20.6139 -20.6139 -7.5357 -7.5357 -7.5162 -7.5162 -7.4968 -7.4968 -7.4680 -7.4680 -5.8121 -5.8121 -5.6739 -5.6739 -5.5148 -5.5148 -5.5130 -5.5130 -5.4392 -5.4392 -5.4000 -5.4000 -4.8528 -4.8528 -4.8371 -4.8371 -0.7250 -0.7250 -0.4708 -0.4708 5.4508 5.4508 5.6450 5.6450 5.8993 5.8993 6.1167 6.1167 6.4061 6.4061 6.4242 6.4242 7.5113 7.5113 8.0896 8.0896 8.0909 8.0909 8.8607 8.8607 8.8665 8.8665 9.1958 9.1958 Writing output data file Ba2Sb.save init_run : 0.39s CPU 0.56s WALL ( 1 calls) electrons : 436.85s CPU 440.26s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.07s CPU 0.12s WALL ( 1 calls) Called by electrons: c_bands : 436.84s CPU 440.25s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.02s WALL ( 1 calls) newd : 0.10s CPU 0.11s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.05s WALL ( 264 calls) cegterg : 405.56s CPU 408.31s WALL ( 474 calls) Called by sum_band: Called by *egterg: h_psi : 317.62s CPU 320.51s WALL ( 7251 calls) s_psi : 8.96s CPU 8.94s WALL ( 7251 calls) g_psi : 0.22s CPU 0.20s WALL ( 6513 calls) cdiaghg : 84.20s CPU 84.33s WALL ( 6777 calls) cegterg:over : 8.85s CPU 8.98s WALL ( 6513 calls) cegterg:upda : 5.66s CPU 5.81s WALL ( 6513 calls) cegterg:last : 3.73s CPU 3.76s WALL ( 1241 calls) cdiaghg:chol : 3.71s CPU 3.65s WALL ( 6777 calls) cdiaghg:inve : 2.03s CPU 2.03s WALL ( 6777 calls) cdiaghg:para : 4.82s CPU 4.82s WALL ( 13554 calls) Called by h_psi: h_psi:vloc : 299.58s CPU 302.61s WALL ( 7251 calls) h_psi:vnl : 17.87s CPU 17.71s WALL ( 7251 calls) add_vuspsi : 9.64s CPU 9.45s WALL ( 7251 calls) General routines calbec : 8.20s CPU 8.24s WALL ( 7251 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.01s CPU 0.00s WALL ( 4 calls) fftw : 284.94s CPU 287.87s WALL ( 810580 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.16s CPU 0.22s WALL ( 528 calls) Parallel routines fft_scatter : 117.79s CPU 119.77s WALL ( 810603 calls) PWSCF : 7m46.89s CPU 8m12.23s WALL This run was terminated on: 22:38:55 30Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=