Program PWSCF v.5.1.1 starts on 12Jun2016 at 16:57:26 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 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: ./ZnSiAs2.save/ file Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 70 46 13 1862 973 148 Max 71 47 14 1866 990 150 Sum 3397 2211 635 89479 47197 7143 bravais-lattice index = 14 lattice parameter (alat) = 12.7534 a.u. unit-cell volume = 1156.5455 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 45.0000 Ry charge density cutoff = 276.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.753372 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.655734 celldm(5)= -0.655734 celldm(6)= 0.311469 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.311469 0.950256 0.000000 ) a(3) = ( -0.655734 -0.475128 0.586742 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.327773 0.852164 ) b(2) = ( 0.000000 1.052348 0.852164 ) b(3) = ( 0.000000 0.000000 1.704328 ) PseudoPot. # 1 for As read from file: /home/autes/Pseudo/As.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 91883ac77fc8b4c49e33555c42516b17 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 1209 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Zn read from file: /home/autes/Pseudo/Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 8d14e5a70806ad8c3d477ea097862760 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1201 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Si read from file: /home/autes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 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 As 5.00 74.92160 As( 1.00) Zn 12.00 65.40900 Zn( 1.00) Si 4.00 28.08550 Si( 1.00) 2 Sym. Ops. (no inversion) found ( 1 have fractional translation) 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 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( 1 0 0 ) f =( 0.2500000 ) ( 0 1 0 ) ( -0.2500000 ) ( -1 -1 -1 ) ( -0.5000000 ) cart. s( 2) = ( 1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.2933708 ) double point group C_s (m) there are 4 classes and 2 irreducible representations the character table: E -E s -s G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E s -s G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 s 2 -E -1 -s -2 Cartesian axes number of k points= 278 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035971 k( 2) = ( 0.0000000 0.0000000 0.0213041), wk = 0.0035971 k( 3) = ( 0.0000000 0.0000000 0.0426082), wk = 0.0035971 k( 4) = ( 0.0000000 0.0000000 0.0639123), wk = 0.0035971 k( 5) = ( 0.0000000 0.0000000 0.0852164), wk = 0.0035971 k( 6) = ( 0.0000000 0.0000000 0.1065205), wk = 0.0035971 k( 7) = ( 0.0000000 0.0000000 0.1278246), wk = 0.0035971 k( 8) = ( 0.0000000 0.0000000 0.1491287), wk = 0.0035971 k( 9) = ( 0.0000000 0.0000000 0.1704328), wk = 0.0035971 k( 10) = ( 0.0000000 0.0000000 0.1917369), wk = 0.0035971 k( 11) = ( 0.0000000 0.0000000 0.2130410), wk = 0.0035971 k( 12) = ( 0.0000000 0.0000000 0.2343451), wk = 0.0035971 k( 13) = ( 0.0000000 0.0000000 0.2556492), wk = 0.0035971 k( 14) = ( 0.0000000 0.0000000 0.2769533), wk = 0.0035971 k( 15) = ( 0.0000000 0.0000000 0.2982574), wk = 0.0035971 k( 16) = ( 0.0000000 0.0000000 0.3195615), wk = 0.0035971 k( 17) = ( 0.0000000 0.0000000 0.3408656), wk = 0.0035971 k( 18) = ( 0.0000000 0.0000000 0.3621697), wk = 0.0035971 k( 19) = ( 0.0000000 0.0000000 0.3834738), wk = 0.0035971 k( 20) = ( 0.0000000 0.0000000 0.4047779), wk = 0.0035971 k( 21) = ( 0.0000000 0.0000000 0.4260820), wk = 0.0035971 k( 22) = ( 0.0000000 0.0000000 0.4473861), wk = 0.0035971 k( 23) = ( 0.0000000 0.0000000 0.4686902), wk = 0.0035971 k( 24) = ( 0.0000000 0.0000000 0.4899943), wk = 0.0035971 k( 25) = ( 0.0000000 0.0000000 0.5112984), wk = 0.0035971 k( 26) = ( 0.0000000 0.0000000 0.5326025), wk = 0.0035971 k( 27) = ( 0.0000000 0.0000000 0.5539066), wk = 0.0035971 k( 28) = ( 0.0000000 0.0000000 0.5752107), wk = 0.0035971 k( 29) = ( 0.0000000 0.0000000 0.5965148), wk = 0.0035971 k( 30) = ( 0.0000000 0.0000000 0.6178189), wk = 0.0035971 k( 31) = ( 0.0000000 0.0000000 0.6391230), wk = 0.0035971 k( 32) = ( 0.0000000 0.0000000 0.6604271), wk = 0.0035971 k( 33) = ( 0.0000000 0.0000000 0.6817312), wk = 0.0035971 k( 34) = ( 0.0000000 0.0000000 0.7030353), wk = 0.0035971 k( 35) = ( 0.0000000 0.0000000 0.7243394), wk = 0.0035971 k( 36) = ( 0.0000000 0.0000000 0.7456435), wk = 0.0035971 k( 37) = ( 0.0000000 0.0000000 0.7669476), wk = 0.0035971 k( 38) = ( 0.0000000 0.0000000 0.7882517), wk = 0.0035971 k( 39) = ( 0.0000000 0.0000000 0.8095558), wk = 0.0035971 k( 40) = ( 0.0000000 0.0000000 0.8308599), wk = 0.0035971 k( 41) = ( 0.0000000 0.0000000 0.8521640), wk = 0.0035971 k( 42) = ( 0.0000000 0.0000000 0.8521640), wk = 0.0035971 k( 43) = ( -0.0119320 0.0164676 0.8521640), wk = 0.0035971 k( 44) = ( -0.0238640 0.0329352 0.8521640), wk = 0.0035971 k( 45) = ( -0.0357960 0.0494028 0.8521640), wk = 0.0035971 k( 46) = ( -0.0477280 0.0658704 0.8521640), wk = 0.0035971 k( 47) = ( -0.0596600 0.0823380 0.8521640), wk = 0.0035971 k( 48) = ( -0.0715920 0.0988056 0.8521640), wk = 0.0035971 k( 49) = ( -0.0835240 0.1152732 0.8521640), wk = 0.0035971 k( 50) = ( -0.0954560 0.1317408 0.8521640), wk = 0.0035971 k( 51) = ( -0.1073879 0.1482084 0.8521640), wk = 0.0035971 k( 52) = ( -0.1193199 0.1646760 0.8521640), wk = 0.0035971 k( 53) = ( -0.1312519 0.1811435 0.8521640), wk = 0.0035971 k( 54) = ( -0.1312519 0.1811435 0.8521640), wk = 0.0035971 k( 55) = ( -0.1400317 0.1932606 0.8372004), wk = 0.0035971 k( 56) = ( -0.1488114 0.2053777 0.8222369), wk = 0.0035971 k( 57) = ( -0.1575911 0.2174948 0.8072734), wk = 0.0035971 k( 58) = ( -0.1663708 0.2296118 0.7923099), wk = 0.0035971 k( 59) = ( -0.1751505 0.2417289 0.7773464), wk = 0.0035971 k( 60) = ( -0.1839302 0.2538460 0.7623829), wk = 0.0035971 k( 61) = ( -0.1927099 0.2659630 0.7474194), wk = 0.0035971 k( 62) = ( -0.2014897 0.2780801 0.7324558), wk = 0.0035971 k( 63) = ( -0.2102694 0.2901972 0.7174923), wk = 0.0035971 k( 64) = ( -0.2190491 0.3023142 0.7025288), wk = 0.0035971 k( 65) = ( -0.2278288 0.3144313 0.6875653), wk = 0.0035971 k( 66) = ( -0.2366085 0.3265484 0.6726018), wk = 0.0035971 k( 67) = ( -0.2453882 0.3386654 0.6576383), wk = 0.0035971 k( 68) = ( -0.2541680 0.3507825 0.6426748), wk = 0.0035971 k( 69) = ( -0.2629477 0.3628996 0.6277112), wk = 0.0035971 k( 70) = ( -0.2717274 0.3750167 0.6127477), wk = 0.0035971 k( 71) = ( -0.2805071 0.3871337 0.5977842), wk = 0.0035971 k( 72) = ( -0.2892868 0.3992508 0.5828207), wk = 0.0035971 k( 73) = ( -0.2980665 0.4113679 0.5678572), wk = 0.0035971 k( 74) = ( -0.3068462 0.4234849 0.5528937), wk = 0.0035971 k( 75) = ( -0.3156260 0.4356020 0.5379302), wk = 0.0035971 k( 76) = ( -0.3156260 0.4356020 0.5379302), wk = 0.0035971 k( 77) = ( -0.3068586 0.4235019 0.5229877), wk = 0.0035971 k( 78) = ( -0.2980912 0.4114019 0.5080451), wk = 0.0035971 k( 79) = ( -0.2893238 0.3993018 0.4931027), wk = 0.0035971 k( 80) = ( -0.2805564 0.3872018 0.4781601), wk = 0.0035971 k( 81) = ( -0.2717890 0.3751017 0.4632176), wk = 0.0035971 k( 82) = ( -0.2630216 0.3630017 0.4482751), wk = 0.0035971 k( 83) = ( -0.2542543 0.3509016 0.4333326), wk = 0.0035971 k( 84) = ( -0.2454869 0.3388016 0.4183901), wk = 0.0035971 k( 85) = ( -0.2367195 0.3267015 0.4034476), wk = 0.0035971 k( 86) = ( -0.2279521 0.3146014 0.3885051), wk = 0.0035971 k( 87) = ( -0.2191847 0.3025014 0.3735626), wk = 0.0035971 k( 88) = ( -0.2104173 0.2904013 0.3586201), wk = 0.0035971 k( 89) = ( -0.2016499 0.2783013 0.3436776), wk = 0.0035971 k( 90) = ( -0.1928825 0.2662012 0.3287351), wk = 0.0035971 k( 91) = ( -0.1841152 0.2541012 0.3137926), wk = 0.0035971 k( 92) = ( -0.1753478 0.2420011 0.2988501), wk = 0.0035971 k( 93) = ( -0.1665804 0.2299011 0.2839076), wk = 0.0035971 k( 94) = ( -0.1578130 0.2178010 0.2689651), wk = 0.0035971 k( 95) = ( -0.1490456 0.2057009 0.2540226), wk = 0.0035971 k( 96) = ( -0.1402782 0.1936009 0.2390801), wk = 0.0035971 k( 97) = ( -0.1315108 0.1815008 0.2241376), wk = 0.0035971 k( 98) = ( -0.1227434 0.1694008 0.2091951), wk = 0.0035971 k( 99) = ( -0.1139760 0.1573007 0.1942525), wk = 0.0035971 k( 100) = ( -0.1052087 0.1452007 0.1793101), wk = 0.0035971 k( 101) = ( -0.0964413 0.1331006 0.1643676), wk = 0.0035971 k( 102) = ( -0.0876739 0.1210006 0.1494250), wk = 0.0035971 k( 103) = ( -0.0789065 0.1089005 0.1344825), wk = 0.0035971 k( 104) = ( -0.0701391 0.0968004 0.1195400), wk = 0.0035971 k( 105) = ( -0.0613717 0.0847004 0.1045975), wk = 0.0035971 k( 106) = ( -0.0526043 0.0726003 0.0896550), wk = 0.0035971 k( 107) = ( -0.0438369 0.0605003 0.0747125), wk = 0.0035971 k( 108) = ( -0.0350695 0.0484002 0.0597700), wk = 0.0035971 k( 109) = ( -0.0263022 0.0363002 0.0448275), wk = 0.0035971 k( 110) = ( -0.0175348 0.0242001 0.0298850), wk = 0.0035971 k( 111) = ( -0.0087674 0.0121001 0.0149425), wk = 0.0035971 k( 112) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035971 k( 113) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035971 k( 114) = ( 0.0172414 0.0124927 0.0000000), wk = 0.0035971 k( 115) = ( 0.0344828 0.0249853 0.0000000), wk = 0.0035971 k( 116) = ( 0.0517241 0.0374780 0.0000000), wk = 0.0035971 k( 117) = ( 0.0689655 0.0499706 0.0000000), wk = 0.0035971 k( 118) = ( 0.0862069 0.0624633 0.0000000), wk = 0.0035971 k( 119) = ( 0.1034483 0.0749560 0.0000000), wk = 0.0035971 k( 120) = ( 0.1206897 0.0874486 0.0000000), wk = 0.0035971 k( 121) = ( 0.1379310 0.0999413 0.0000000), wk = 0.0035971 k( 122) = ( 0.1551724 0.1124339 0.0000000), wk = 0.0035971 k( 123) = ( 0.1724138 0.1249266 0.0000000), wk = 0.0035971 k( 124) = ( 0.1896552 0.1374192 0.0000000), wk = 0.0035971 k( 125) = ( 0.2068966 0.1499119 0.0000000), wk = 0.0035971 k( 126) = ( 0.2241379 0.1624046 0.0000000), wk = 0.0035971 k( 127) = ( 0.2413793 0.1748972 0.0000000), wk = 0.0035971 k( 128) = ( 0.2586207 0.1873899 0.0000000), wk = 0.0035971 k( 129) = ( 0.2758621 0.1998825 0.0000000), wk = 0.0035971 k( 130) = ( 0.2931034 0.2123752 0.0000000), wk = 0.0035971 k( 131) = ( 0.3103448 0.2248679 0.0000000), wk = 0.0035971 k( 132) = ( 0.3275862 0.2373605 0.0000000), wk = 0.0035971 k( 133) = ( 0.3448276 0.2498532 0.0000000), wk = 0.0035971 k( 134) = ( 0.3620690 0.2623458 0.0000000), wk = 0.0035971 k( 135) = ( 0.3793103 0.2748385 0.0000000), wk = 0.0035971 k( 136) = ( 0.3965517 0.2873311 0.0000000), wk = 0.0035971 k( 137) = ( 0.4137931 0.2998238 0.0000000), wk = 0.0035971 k( 138) = ( 0.4310345 0.3123165 0.0000000), wk = 0.0035971 k( 139) = ( 0.4482759 0.3248091 0.0000000), wk = 0.0035971 k( 140) = ( 0.4655172 0.3373018 0.0000000), wk = 0.0035971 k( 141) = ( 0.4827586 0.3497944 0.0000000), wk = 0.0035971 k( 142) = ( 0.5000000 0.3622871 0.0000000), wk = 0.0035971 k( 143) = ( 0.5000000 0.3622871 0.0000000), wk = 0.0035971 k( 144) = ( 0.4912203 0.3744042 0.0149635), wk = 0.0035971 k( 145) = ( 0.4824406 0.3865212 0.0299270), wk = 0.0035971 k( 146) = ( 0.4736609 0.3986383 0.0448905), wk = 0.0035971 k( 147) = ( 0.4648811 0.4107554 0.0598541), wk = 0.0035971 k( 148) = ( 0.4561014 0.4228724 0.0748176), wk = 0.0035971 k( 149) = ( 0.4473217 0.4349895 0.0897811), wk = 0.0035971 k( 150) = ( 0.4385420 0.4471066 0.1047446), wk = 0.0035971 k( 151) = ( 0.4297623 0.4592237 0.1197081), wk = 0.0035971 k( 152) = ( 0.4209826 0.4713407 0.1346716), wk = 0.0035971 k( 153) = ( 0.4122028 0.4834578 0.1496352), wk = 0.0035971 k( 154) = ( 0.4034231 0.4955749 0.1645987), wk = 0.0035971 k( 155) = ( 0.3946434 0.5076919 0.1795622), wk = 0.0035971 k( 156) = ( 0.3858637 0.5198090 0.1945257), wk = 0.0035971 k( 157) = ( 0.3770840 0.5319261 0.2094892), wk = 0.0035971 k( 158) = ( 0.3683043 0.5440431 0.2244527), wk = 0.0035971 k( 159) = ( 0.3595245 0.5561602 0.2394162), wk = 0.0035971 k( 160) = ( 0.3507448 0.5682773 0.2543798), wk = 0.0035971 k( 161) = ( 0.3419651 0.5803943 0.2693433), wk = 0.0035971 k( 162) = ( 0.3331854 0.5925114 0.2843068), wk = 0.0035971 k( 163) = ( 0.3244057 0.6046285 0.2992703), wk = 0.0035971 k( 164) = ( 0.3156260 0.6167456 0.3142338), wk = 0.0035971 k( 165) = ( 0.3156260 0.6167456 0.3142338), wk = 0.0035971 k( 166) = ( 0.2970597 0.6114178 0.3208131), wk = 0.0035971 k( 167) = ( 0.2784935 0.6060901 0.3273924), wk = 0.0035971 k( 168) = ( 0.2599273 0.6007623 0.3339717), wk = 0.0035971 k( 169) = ( 0.2413610 0.5954345 0.3405510), wk = 0.0035971 k( 170) = ( 0.2227948 0.5901068 0.3471303), wk = 0.0035971 k( 171) = ( 0.2042286 0.5847790 0.3537096), wk = 0.0035971 k( 172) = ( 0.1856623 0.5794513 0.3602889), wk = 0.0035971 k( 173) = ( 0.1670961 0.5741235 0.3668682), wk = 0.0035971 k( 174) = ( 0.1485299 0.5687958 0.3734475), wk = 0.0035971 k( 175) = ( 0.1299636 0.5634680 0.3800269), wk = 0.0035971 k( 176) = ( 0.1113974 0.5581403 0.3866062), wk = 0.0035971 k( 177) = ( 0.0928312 0.5528125 0.3931855), wk = 0.0035971 k( 178) = ( 0.0742649 0.5474848 0.3997648), wk = 0.0035971 k( 179) = ( 0.0556987 0.5421570 0.4063441), wk = 0.0035971 k( 180) = ( 0.0371325 0.5368293 0.4129234), wk = 0.0035971 k( 181) = ( 0.0185662 0.5315015 0.4195027), wk = 0.0035971 k( 182) = ( 0.0000000 0.5261738 0.4260820), wk = 0.0035971 k( 183) = ( 0.0000000 0.5261738 0.4260820), wk = 0.0035971 k( 184) = ( 0.0086207 0.5142762 0.4407745), wk = 0.0035971 k( 185) = ( 0.0172414 0.5023786 0.4554670), wk = 0.0035971 k( 186) = ( 0.0258621 0.4904810 0.4701594), wk = 0.0035971 k( 187) = ( 0.0344828 0.4785834 0.4848519), wk = 0.0035971 k( 188) = ( 0.0431035 0.4666858 0.4995444), wk = 0.0035971 k( 189) = ( 0.0517241 0.4547882 0.5142369), wk = 0.0035971 k( 190) = ( 0.0603448 0.4428906 0.5289294), wk = 0.0035971 k( 191) = ( 0.0689655 0.4309930 0.5436218), wk = 0.0035971 k( 192) = ( 0.0775862 0.4190954 0.5583143), wk = 0.0035971 k( 193) = ( 0.0862069 0.4071978 0.5730068), wk = 0.0035971 k( 194) = ( 0.0948276 0.3953002 0.5876993), wk = 0.0035971 k( 195) = ( 0.1034483 0.3834026 0.6023918), wk = 0.0035971 k( 196) = ( 0.1120690 0.3715050 0.6170843), wk = 0.0035971 k( 197) = ( 0.1206897 0.3596075 0.6317767), wk = 0.0035971 k( 198) = ( 0.1293103 0.3477099 0.6464692), wk = 0.0035971 k( 199) = ( 0.1379310 0.3358123 0.6611617), wk = 0.0035971 k( 200) = ( 0.1465517 0.3239147 0.6758542), wk = 0.0035971 k( 201) = ( 0.1551724 0.3120171 0.6905467), wk = 0.0035971 k( 202) = ( 0.1637931 0.3001195 0.7052391), wk = 0.0035971 k( 203) = ( 0.1724138 0.2882219 0.7199316), wk = 0.0035971 k( 204) = ( 0.1810345 0.2763243 0.7346241), wk = 0.0035971 k( 205) = ( 0.1896552 0.2644267 0.7493166), wk = 0.0035971 k( 206) = ( 0.1982759 0.2525291 0.7640091), wk = 0.0035971 k( 207) = ( 0.2068966 0.2406315 0.7787016), wk = 0.0035971 k( 208) = ( 0.2155172 0.2287339 0.7933940), wk = 0.0035971 k( 209) = ( 0.2241379 0.2168363 0.8080865), wk = 0.0035971 k( 210) = ( 0.2327586 0.2049387 0.8227790), wk = 0.0035971 k( 211) = ( 0.2413793 0.1930411 0.8374715), wk = 0.0035971 k( 212) = ( 0.2500000 0.1811435 0.8521640), wk = 0.0035971 k( 213) = ( 0.2500000 0.1811435 0.8521640), wk = 0.0035971 k( 214) = ( 0.2638889 0.1912071 0.8397364), wk = 0.0035971 k( 215) = ( 0.2777778 0.2012706 0.8273088), wk = 0.0035971 k( 216) = ( 0.2916667 0.2113341 0.8148813), wk = 0.0035971 k( 217) = ( 0.3055556 0.2213977 0.8024537), wk = 0.0035971 k( 218) = ( 0.3194444 0.2314612 0.7900261), wk = 0.0035971 k( 219) = ( 0.3333333 0.2415247 0.7775985), wk = 0.0035971 k( 220) = ( 0.3472222 0.2515883 0.7651709), wk = 0.0035971 k( 221) = ( 0.3611111 0.2616518 0.7527434), wk = 0.0035971 k( 222) = ( 0.3750000 0.2717153 0.7403158), wk = 0.0035971 k( 223) = ( 0.3888889 0.2817789 0.7278882), wk = 0.0035971 k( 224) = ( 0.4027778 0.2918424 0.7154606), wk = 0.0035971 k( 225) = ( 0.4166667 0.3019059 0.7030331), wk = 0.0035971 k( 226) = ( 0.4305556 0.3119694 0.6906055), wk = 0.0035971 k( 227) = ( 0.4444444 0.3220330 0.6781779), wk = 0.0035971 k( 228) = ( 0.4583333 0.3320965 0.6657503), wk = 0.0035971 k( 229) = ( 0.4722222 0.3421600 0.6533228), wk = 0.0035971 k( 230) = ( 0.4861111 0.3522236 0.6408952), wk = 0.0035971 k( 231) = ( 0.5000000 0.3622871 0.6284676), wk = 0.0035971 k( 232) = ( 0.5000000 0.3622871 0.6284676), wk = 0.0035971 k( 233) = ( 0.5000000 0.3622871 0.6075187), wk = 0.0035971 k( 234) = ( 0.5000000 0.3622871 0.5865698), wk = 0.0035971 k( 235) = ( 0.5000000 0.3622871 0.5656209), wk = 0.0035971 k( 236) = ( 0.5000000 0.3622871 0.5446719), wk = 0.0035971 k( 237) = ( 0.5000000 0.3622871 0.5237230), wk = 0.0035971 k( 238) = ( 0.5000000 0.3622871 0.5027741), wk = 0.0035971 k( 239) = ( 0.5000000 0.3622871 0.4818252), wk = 0.0035971 k( 240) = ( 0.5000000 0.3622871 0.4608762), wk = 0.0035971 k( 241) = ( 0.5000000 0.3622871 0.4399273), wk = 0.0035971 k( 242) = ( 0.5000000 0.3622871 0.4189784), wk = 0.0035971 k( 243) = ( 0.5000000 0.3622871 0.3980295), wk = 0.0035971 k( 244) = ( 0.5000000 0.3622871 0.3770806), wk = 0.0035971 k( 245) = ( 0.5000000 0.3622871 0.3561316), wk = 0.0035971 k( 246) = ( 0.5000000 0.3622871 0.3351827), wk = 0.0035971 k( 247) = ( 0.5000000 0.3622871 0.3142338), wk = 0.0035971 k( 248) = ( 0.5000000 0.3622871 0.2932849), wk = 0.0035971 k( 249) = ( 0.5000000 0.3622871 0.2723360), wk = 0.0035971 k( 250) = ( 0.5000000 0.3622871 0.2513870), wk = 0.0035971 k( 251) = ( 0.5000000 0.3622871 0.2304381), wk = 0.0035971 k( 252) = ( 0.5000000 0.3622871 0.2094892), wk = 0.0035971 k( 253) = ( 0.5000000 0.3622871 0.1885403), wk = 0.0035971 k( 254) = ( 0.5000000 0.3622871 0.1675914), wk = 0.0035971 k( 255) = ( 0.5000000 0.3622871 0.1466424), wk = 0.0035971 k( 256) = ( 0.5000000 0.3622871 0.1256935), wk = 0.0035971 k( 257) = ( 0.5000000 0.3622871 0.1047446), wk = 0.0035971 k( 258) = ( 0.5000000 0.3622871 0.0837957), wk = 0.0035971 k( 259) = ( 0.5000000 0.3622871 0.0628468), wk = 0.0035971 k( 260) = ( 0.5000000 0.3622871 0.0418978), wk = 0.0035971 k( 261) = ( 0.5000000 0.3622871 0.0209489), wk = 0.0035971 k( 262) = ( 0.5000000 0.3622871 0.0000000), wk = 0.0035971 k( 263) = ( 0.0000000 0.0000000 0.8521640), wk = 0.0035971 k( 264) = ( 0.0166667 0.0120762 0.8521640), wk = 0.0035971 k( 265) = ( 0.0333333 0.0241525 0.8521640), wk = 0.0035971 k( 266) = ( 0.0500000 0.0362287 0.8521640), wk = 0.0035971 k( 267) = ( 0.0666667 0.0483049 0.8521640), wk = 0.0035971 k( 268) = ( 0.0833333 0.0603812 0.8521640), wk = 0.0035971 k( 269) = ( 0.1000000 0.0724574 0.8521640), wk = 0.0035971 k( 270) = ( 0.1166667 0.0845337 0.8521640), wk = 0.0035971 k( 271) = ( 0.1333333 0.0966099 0.8521640), wk = 0.0035971 k( 272) = ( 0.1500000 0.1086861 0.8521640), wk = 0.0035971 k( 273) = ( 0.1666667 0.1207624 0.8521640), wk = 0.0035971 k( 274) = ( 0.1833333 0.1328386 0.8521640), wk = 0.0035971 k( 275) = ( 0.2000000 0.1449148 0.8521640), wk = 0.0035971 k( 276) = ( 0.2166667 0.1569911 0.8521640), wk = 0.0035971 k( 277) = ( 0.2333333 0.1690673 0.8521640), wk = 0.0035971 k( 278) = ( 0.2500000 0.1811435 0.8521640), wk = 0.0035971 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035971 k( 2) = ( 0.0000000 0.0000000 0.0125000), wk = 0.0035971 k( 3) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0035971 k( 4) = ( 0.0000000 0.0000000 0.0375000), wk = 0.0035971 k( 5) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0035971 k( 6) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0035971 k( 7) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0035971 k( 8) = ( 0.0000000 0.0000000 0.0875000), wk = 0.0035971 k( 9) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0035971 k( 10) = ( 0.0000000 0.0000000 0.1125000), wk = 0.0035971 k( 11) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0035971 k( 12) = ( 0.0000000 0.0000000 0.1375000), wk = 0.0035971 k( 13) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0035971 k( 14) = ( 0.0000000 0.0000000 0.1625000), wk = 0.0035971 k( 15) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0035971 k( 16) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0035971 k( 17) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0035971 k( 18) = ( 0.0000000 0.0000000 0.2125000), wk = 0.0035971 k( 19) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0035971 k( 20) = ( 0.0000000 0.0000000 0.2375000), wk = 0.0035971 k( 21) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0035971 k( 22) = ( 0.0000000 0.0000000 0.2625000), wk = 0.0035971 k( 23) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0035971 k( 24) = ( 0.0000000 0.0000000 0.2875000), wk = 0.0035971 k( 25) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0035971 k( 26) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0035971 k( 27) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0035971 k( 28) = ( 0.0000000 0.0000000 0.3375000), wk = 0.0035971 k( 29) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0035971 k( 30) = ( 0.0000000 0.0000000 0.3625000), wk = 0.0035971 k( 31) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0035971 k( 32) = ( 0.0000000 0.0000000 0.3875000), wk = 0.0035971 k( 33) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0035971 k( 34) = ( 0.0000000 0.0000000 0.4125000), wk = 0.0035971 k( 35) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0035971 k( 36) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0035971 k( 37) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0035971 k( 38) = ( 0.0000000 0.0000000 0.4625000), wk = 0.0035971 k( 39) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0035971 k( 40) = ( 0.0000000 0.0000000 0.4875000), wk = 0.0035971 k( 41) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035971 k( 42) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035971 k( 43) = ( -0.0119320 0.0119320 0.5000000), wk = 0.0035971 k( 44) = ( -0.0238640 0.0238640 0.5000000), wk = 0.0035971 k( 45) = ( -0.0357960 0.0357960 0.5000000), wk = 0.0035971 k( 46) = ( -0.0477280 0.0477280 0.5000000), wk = 0.0035971 k( 47) = ( -0.0596600 0.0596600 0.5000000), wk = 0.0035971 k( 48) = ( -0.0715920 0.0715920 0.5000000), wk = 0.0035971 k( 49) = ( -0.0835240 0.0835240 0.5000000), wk = 0.0035971 k( 50) = ( -0.0954560 0.0954560 0.5000000), wk = 0.0035971 k( 51) = ( -0.1073879 0.1073880 0.5000000), wk = 0.0035971 k( 52) = ( -0.1193199 0.1193200 0.5000000), wk = 0.0035971 k( 53) = ( -0.1312519 0.1312519 0.5000000), wk = 0.0035971 k( 54) = ( -0.1312519 0.1312519 0.5000000), wk = 0.0035971 k( 55) = ( -0.1400317 0.1400317 0.4912203), wk = 0.0035971 k( 56) = ( -0.1488114 0.1488114 0.4824406), wk = 0.0035971 k( 57) = ( -0.1575911 0.1575911 0.4736609), wk = 0.0035971 k( 58) = ( -0.1663708 0.1663708 0.4648811), wk = 0.0035971 k( 59) = ( -0.1751505 0.1751505 0.4561014), wk = 0.0035971 k( 60) = ( -0.1839302 0.1839302 0.4473217), wk = 0.0035971 k( 61) = ( -0.1927099 0.1927100 0.4385420), wk = 0.0035971 k( 62) = ( -0.2014897 0.2014897 0.4297623), wk = 0.0035971 k( 63) = ( -0.2102694 0.2102694 0.4209826), wk = 0.0035971 k( 64) = ( -0.2190491 0.2190491 0.4122028), wk = 0.0035971 k( 65) = ( -0.2278288 0.2278288 0.4034231), wk = 0.0035971 k( 66) = ( -0.2366085 0.2366085 0.3946434), wk = 0.0035971 k( 67) = ( -0.2453882 0.2453882 0.3858637), wk = 0.0035971 k( 68) = ( -0.2541680 0.2541680 0.3770840), wk = 0.0035971 k( 69) = ( -0.2629477 0.2629477 0.3683043), wk = 0.0035971 k( 70) = ( -0.2717274 0.2717274 0.3595246), wk = 0.0035971 k( 71) = ( -0.2805071 0.2805071 0.3507448), wk = 0.0035971 k( 72) = ( -0.2892868 0.2892868 0.3419651), wk = 0.0035971 k( 73) = ( -0.2980665 0.2980665 0.3331854), wk = 0.0035971 k( 74) = ( -0.3068462 0.3068462 0.3244057), wk = 0.0035971 k( 75) = ( -0.3156260 0.3156260 0.3156260), wk = 0.0035971 k( 76) = ( -0.3156260 0.3156260 0.3156260), wk = 0.0035971 k( 77) = ( -0.3068586 0.3068586 0.3068586), wk = 0.0035971 k( 78) = ( -0.2980912 0.2980912 0.2980912), wk = 0.0035971 k( 79) = ( -0.2893238 0.2893238 0.2893238), wk = 0.0035971 k( 80) = ( -0.2805564 0.2805564 0.2805564), wk = 0.0035971 k( 81) = ( -0.2717890 0.2717890 0.2717890), wk = 0.0035971 k( 82) = ( -0.2630216 0.2630216 0.2630216), wk = 0.0035971 k( 83) = ( -0.2542543 0.2542543 0.2542543), wk = 0.0035971 k( 84) = ( -0.2454869 0.2454869 0.2454869), wk = 0.0035971 k( 85) = ( -0.2367195 0.2367195 0.2367195), wk = 0.0035971 k( 86) = ( -0.2279521 0.2279521 0.2279521), wk = 0.0035971 k( 87) = ( -0.2191847 0.2191847 0.2191847), wk = 0.0035971 k( 88) = ( -0.2104173 0.2104173 0.2104173), wk = 0.0035971 k( 89) = ( -0.2016499 0.2016499 0.2016499), wk = 0.0035971 k( 90) = ( -0.1928825 0.1928825 0.1928825), wk = 0.0035971 k( 91) = ( -0.1841152 0.1841152 0.1841152), wk = 0.0035971 k( 92) = ( -0.1753478 0.1753478 0.1753478), wk = 0.0035971 k( 93) = ( -0.1665804 0.1665804 0.1665804), wk = 0.0035971 k( 94) = ( -0.1578130 0.1578130 0.1578130), wk = 0.0035971 k( 95) = ( -0.1490456 0.1490456 0.1490456), wk = 0.0035971 k( 96) = ( -0.1402782 0.1402782 0.1402782), wk = 0.0035971 k( 97) = ( -0.1315108 0.1315108 0.1315108), wk = 0.0035971 k( 98) = ( -0.1227434 0.1227434 0.1227434), wk = 0.0035971 k( 99) = ( -0.1139760 0.1139760 0.1139760), wk = 0.0035971 k( 100) = ( -0.1052087 0.1052087 0.1052087), wk = 0.0035971 k( 101) = ( -0.0964413 0.0964413 0.0964413), wk = 0.0035971 k( 102) = ( -0.0876739 0.0876739 0.0876739), wk = 0.0035971 k( 103) = ( -0.0789065 0.0789065 0.0789065), wk = 0.0035971 k( 104) = ( -0.0701391 0.0701391 0.0701391), wk = 0.0035971 k( 105) = ( -0.0613717 0.0613717 0.0613717), wk = 0.0035971 k( 106) = ( -0.0526043 0.0526043 0.0526043), wk = 0.0035971 k( 107) = ( -0.0438369 0.0438369 0.0438369), wk = 0.0035971 k( 108) = ( -0.0350695 0.0350696 0.0350695), wk = 0.0035971 k( 109) = ( -0.0263022 0.0263022 0.0263022), wk = 0.0035971 k( 110) = ( -0.0175348 0.0175348 0.0175348), wk = 0.0035971 k( 111) = ( -0.0087674 0.0087674 0.0087674), wk = 0.0035971 k( 112) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035971 k( 113) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035971 k( 114) = ( 0.0172414 0.0172414 -0.0172414), wk = 0.0035971 k( 115) = ( 0.0344828 0.0344828 -0.0344828), wk = 0.0035971 k( 116) = ( 0.0517241 0.0517241 -0.0517241), wk = 0.0035971 k( 117) = ( 0.0689655 0.0689655 -0.0689655), wk = 0.0035971 k( 118) = ( 0.0862069 0.0862069 -0.0862069), wk = 0.0035971 k( 119) = ( 0.1034483 0.1034483 -0.1034483), wk = 0.0035971 k( 120) = ( 0.1206897 0.1206897 -0.1206897), wk = 0.0035971 k( 121) = ( 0.1379310 0.1379310 -0.1379310), wk = 0.0035971 k( 122) = ( 0.1551724 0.1551724 -0.1551724), wk = 0.0035971 k( 123) = ( 0.1724138 0.1724138 -0.1724138), wk = 0.0035971 k( 124) = ( 0.1896552 0.1896552 -0.1896552), wk = 0.0035971 k( 125) = ( 0.2068966 0.2068966 -0.2068966), wk = 0.0035971 k( 126) = ( 0.2241379 0.2241379 -0.2241379), wk = 0.0035971 k( 127) = ( 0.2413793 0.2413793 -0.2413793), wk = 0.0035971 k( 128) = ( 0.2586207 0.2586207 -0.2586207), wk = 0.0035971 k( 129) = ( 0.2758621 0.2758621 -0.2758621), wk = 0.0035971 k( 130) = ( 0.2931034 0.2931034 -0.2931034), wk = 0.0035971 k( 131) = ( 0.3103448 0.3103448 -0.3103448), wk = 0.0035971 k( 132) = ( 0.3275862 0.3275862 -0.3275862), wk = 0.0035971 k( 133) = ( 0.3448276 0.3448276 -0.3448276), wk = 0.0035971 k( 134) = ( 0.3620690 0.3620690 -0.3620690), wk = 0.0035971 k( 135) = ( 0.3793103 0.3793103 -0.3793103), wk = 0.0035971 k( 136) = ( 0.3965517 0.3965517 -0.3965517), wk = 0.0035971 k( 137) = ( 0.4137931 0.4137931 -0.4137931), wk = 0.0035971 k( 138) = ( 0.4310345 0.4310345 -0.4310345), wk = 0.0035971 k( 139) = ( 0.4482759 0.4482759 -0.4482759), wk = 0.0035971 k( 140) = ( 0.4655172 0.4655172 -0.4655172), wk = 0.0035971 k( 141) = ( 0.4827586 0.4827586 -0.4827586), wk = 0.0035971 k( 142) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0035971 k( 143) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0035971 k( 144) = ( 0.4912203 0.5087797 -0.4912203), wk = 0.0035971 k( 145) = ( 0.4824406 0.5175594 -0.4824406), wk = 0.0035971 k( 146) = ( 0.4736609 0.5263392 -0.4736609), wk = 0.0035971 k( 147) = ( 0.4648811 0.5351189 -0.4648811), wk = 0.0035971 k( 148) = ( 0.4561014 0.5438986 -0.4561014), wk = 0.0035971 k( 149) = ( 0.4473217 0.5526783 -0.4473217), wk = 0.0035971 k( 150) = ( 0.4385420 0.5614580 -0.4385420), wk = 0.0035971 k( 151) = ( 0.4297623 0.5702377 -0.4297623), wk = 0.0035971 k( 152) = ( 0.4209826 0.5790174 -0.4209826), wk = 0.0035971 k( 153) = ( 0.4122028 0.5877972 -0.4122028), wk = 0.0035971 k( 154) = ( 0.4034231 0.5965769 -0.4034231), wk = 0.0035971 k( 155) = ( 0.3946434 0.6053566 -0.3946434), wk = 0.0035971 k( 156) = ( 0.3858637 0.6141363 -0.3858637), wk = 0.0035971 k( 157) = ( 0.3770840 0.6229160 -0.3770840), wk = 0.0035971 k( 158) = ( 0.3683043 0.6316957 -0.3683043), wk = 0.0035971 k( 159) = ( 0.3595245 0.6404755 -0.3595245), wk = 0.0035971 k( 160) = ( 0.3507448 0.6492552 -0.3507448), wk = 0.0035971 k( 161) = ( 0.3419651 0.6580349 -0.3419651), wk = 0.0035971 k( 162) = ( 0.3331854 0.6668146 -0.3331854), wk = 0.0035971 k( 163) = ( 0.3244057 0.6755943 -0.3244057), wk = 0.0035971 k( 164) = ( 0.3156260 0.6843740 -0.3156260), wk = 0.0035971 k( 165) = ( 0.3156260 0.6843740 -0.3156260), wk = 0.0035971 k( 166) = ( 0.2970597 0.6735285 -0.2970597), wk = 0.0035971 k( 167) = ( 0.2784935 0.6626830 -0.2784935), wk = 0.0035971 k( 168) = ( 0.2599273 0.6518374 -0.2599273), wk = 0.0035971 k( 169) = ( 0.2413610 0.6409919 -0.2413610), wk = 0.0035971 k( 170) = ( 0.2227948 0.6301464 -0.2227948), wk = 0.0035971 k( 171) = ( 0.2042286 0.6193008 -0.2042286), wk = 0.0035971 k( 172) = ( 0.1856623 0.6084553 -0.1856623), wk = 0.0035971 k( 173) = ( 0.1670961 0.5976098 -0.1670961), wk = 0.0035971 k( 174) = ( 0.1485299 0.5867643 -0.1485299), wk = 0.0035971 k( 175) = ( 0.1299636 0.5759187 -0.1299636), wk = 0.0035971 k( 176) = ( 0.1113974 0.5650732 -0.1113974), wk = 0.0035971 k( 177) = ( 0.0928312 0.5542277 -0.0928312), wk = 0.0035971 k( 178) = ( 0.0742649 0.5433821 -0.0742649), wk = 0.0035971 k( 179) = ( 0.0556987 0.5325366 -0.0556987), wk = 0.0035971 k( 180) = ( 0.0371325 0.5216911 -0.0371325), wk = 0.0035971 k( 181) = ( 0.0185662 0.5108455 -0.0185662), wk = 0.0035971 k( 182) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0035971 k( 183) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0035971 k( 184) = ( 0.0086207 0.4913793 0.0086207), wk = 0.0035971 k( 185) = ( 0.0172414 0.4827586 0.0172414), wk = 0.0035971 k( 186) = ( 0.0258621 0.4741379 0.0258621), wk = 0.0035971 k( 187) = ( 0.0344828 0.4655172 0.0344828), wk = 0.0035971 k( 188) = ( 0.0431035 0.4568966 0.0431034), wk = 0.0035971 k( 189) = ( 0.0517241 0.4482759 0.0517241), wk = 0.0035971 k( 190) = ( 0.0603448 0.4396552 0.0603448), wk = 0.0035971 k( 191) = ( 0.0689655 0.4310345 0.0689655), wk = 0.0035971 k( 192) = ( 0.0775862 0.4224138 0.0775862), wk = 0.0035971 k( 193) = ( 0.0862069 0.4137931 0.0862069), wk = 0.0035971 k( 194) = ( 0.0948276 0.4051724 0.0948276), wk = 0.0035971 k( 195) = ( 0.1034483 0.3965517 0.1034483), wk = 0.0035971 k( 196) = ( 0.1120690 0.3879310 0.1120690), wk = 0.0035971 k( 197) = ( 0.1206897 0.3793103 0.1206897), wk = 0.0035971 k( 198) = ( 0.1293103 0.3706897 0.1293103), wk = 0.0035971 k( 199) = ( 0.1379310 0.3620690 0.1379310), wk = 0.0035971 k( 200) = ( 0.1465517 0.3534483 0.1465517), wk = 0.0035971 k( 201) = ( 0.1551724 0.3448276 0.1551724), wk = 0.0035971 k( 202) = ( 0.1637931 0.3362069 0.1637931), wk = 0.0035971 k( 203) = ( 0.1724138 0.3275862 0.1724138), wk = 0.0035971 k( 204) = ( 0.1810345 0.3189655 0.1810345), wk = 0.0035971 k( 205) = ( 0.1896552 0.3103448 0.1896552), wk = 0.0035971 k( 206) = ( 0.1982759 0.3017241 0.1982759), wk = 0.0035971 k( 207) = ( 0.2068966 0.2931035 0.2068966), wk = 0.0035971 k( 208) = ( 0.2155172 0.2844828 0.2155172), wk = 0.0035971 k( 209) = ( 0.2241379 0.2758621 0.2241379), wk = 0.0035971 k( 210) = ( 0.2327586 0.2672414 0.2327586), wk = 0.0035971 k( 211) = ( 0.2413793 0.2586207 0.2413793), wk = 0.0035971 k( 212) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0035971 k( 213) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0035971 k( 214) = ( 0.2638889 0.2638889 0.2288193), wk = 0.0035971 k( 215) = ( 0.2777778 0.2777778 0.2076387), wk = 0.0035971 k( 216) = ( 0.2916667 0.2916667 0.1864580), wk = 0.0035971 k( 217) = ( 0.3055556 0.3055556 0.1652773), wk = 0.0035971 k( 218) = ( 0.3194444 0.3194444 0.1440967), wk = 0.0035971 k( 219) = ( 0.3333333 0.3333333 0.1229160), wk = 0.0035971 k( 220) = ( 0.3472222 0.3472222 0.1017354), wk = 0.0035971 k( 221) = ( 0.3611111 0.3611111 0.0805547), wk = 0.0035971 k( 222) = ( 0.3750000 0.3750000 0.0593740), wk = 0.0035971 k( 223) = ( 0.3888889 0.3888889 0.0381934), wk = 0.0035971 k( 224) = ( 0.4027778 0.4027778 0.0170127), wk = 0.0035971 k( 225) = ( 0.4166667 0.4166667 -0.0041680), wk = 0.0035971 k( 226) = ( 0.4305556 0.4305556 -0.0253486), wk = 0.0035971 k( 227) = ( 0.4444444 0.4444444 -0.0465293), wk = 0.0035971 k( 228) = ( 0.4583333 0.4583333 -0.0677100), wk = 0.0035971 k( 229) = ( 0.4722222 0.4722222 -0.0888906), wk = 0.0035971 k( 230) = ( 0.4861111 0.4861111 -0.1100713), wk = 0.0035971 k( 231) = ( 0.5000000 0.5000000 -0.1312519), wk = 0.0035971 k( 232) = ( 0.5000000 0.5000000 -0.1312519), wk = 0.0035971 k( 233) = ( 0.5000000 0.5000000 -0.1435435), wk = 0.0035971 k( 234) = ( 0.5000000 0.5000000 -0.1558351), wk = 0.0035971 k( 235) = ( 0.5000000 0.5000000 -0.1681267), wk = 0.0035971 k( 236) = ( 0.5000000 0.5000000 -0.1804184), wk = 0.0035971 k( 237) = ( 0.5000000 0.5000000 -0.1927100), wk = 0.0035971 k( 238) = ( 0.5000000 0.5000000 -0.2050016), wk = 0.0035971 k( 239) = ( 0.5000000 0.5000000 -0.2172931), wk = 0.0035971 k( 240) = ( 0.5000000 0.5000000 -0.2295848), wk = 0.0035971 k( 241) = ( 0.5000000 0.5000000 -0.2418764), wk = 0.0035971 k( 242) = ( 0.5000000 0.5000000 -0.2541680), wk = 0.0035971 k( 243) = ( 0.5000000 0.5000000 -0.2664596), wk = 0.0035971 k( 244) = ( 0.5000000 0.5000000 -0.2787512), wk = 0.0035971 k( 245) = ( 0.5000000 0.5000000 -0.2910428), wk = 0.0035971 k( 246) = ( 0.5000000 0.5000000 -0.3033344), wk = 0.0035971 k( 247) = ( 0.5000000 0.5000000 -0.3156260), wk = 0.0035971 k( 248) = ( 0.5000000 0.5000000 -0.3279176), wk = 0.0035971 k( 249) = ( 0.5000000 0.5000000 -0.3402092), wk = 0.0035971 k( 250) = ( 0.5000000 0.5000000 -0.3525008), wk = 0.0035971 k( 251) = ( 0.5000000 0.5000000 -0.3647924), wk = 0.0035971 k( 252) = ( 0.5000000 0.5000000 -0.3770840), wk = 0.0035971 k( 253) = ( 0.5000000 0.5000000 -0.3893756), wk = 0.0035971 k( 254) = ( 0.5000000 0.5000000 -0.4016672), wk = 0.0035971 k( 255) = ( 0.5000000 0.5000000 -0.4139588), wk = 0.0035971 k( 256) = ( 0.5000000 0.5000000 -0.4262504), wk = 0.0035971 k( 257) = ( 0.5000000 0.5000000 -0.4385420), wk = 0.0035971 k( 258) = ( 0.5000000 0.5000000 -0.4508336), wk = 0.0035971 k( 259) = ( 0.5000000 0.5000000 -0.4631252), wk = 0.0035971 k( 260) = ( 0.5000000 0.5000000 -0.4754168), wk = 0.0035971 k( 261) = ( 0.5000000 0.5000000 -0.4877084), wk = 0.0035971 k( 262) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0035971 k( 263) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035971 k( 264) = ( 0.0166667 0.0166667 0.4833333), wk = 0.0035971 k( 265) = ( 0.0333333 0.0333333 0.4666667), wk = 0.0035971 k( 266) = ( 0.0500000 0.0500000 0.4500000), wk = 0.0035971 k( 267) = ( 0.0666667 0.0666667 0.4333333), wk = 0.0035971 k( 268) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0035971 k( 269) = ( 0.1000000 0.1000000 0.4000000), wk = 0.0035971 k( 270) = ( 0.1166667 0.1166667 0.3833333), wk = 0.0035971 k( 271) = ( 0.1333333 0.1333333 0.3666667), wk = 0.0035971 k( 272) = ( 0.1500000 0.1500000 0.3500000), wk = 0.0035971 k( 273) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0035971 k( 274) = ( 0.1833333 0.1833333 0.3166667), wk = 0.0035971 k( 275) = ( 0.2000000 0.2000000 0.3000000), wk = 0.0035971 k( 276) = ( 0.2166667 0.2166667 0.2833333), wk = 0.0035971 k( 277) = ( 0.2333333 0.2333333 0.2666667), wk = 0.0035971 k( 278) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0035971 Dense grid: 89479 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 47197 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.24 Mb ( 256, 62) NL pseudopotentials 0.38 Mb ( 128, 192) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.01 Mb ( 1863) G-vector shells 0.01 Mb ( 859) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.97 Mb ( 256, 248) Each subspace H/S matrix 0.94 Mb ( 248, 248) Each matrix 0.36 Mb ( 192, 2, 62) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./ZnSiAs2.save/charge-density.dat Starting wfc are 84 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 45.4 secs Computing kpt #: 2 total cpu time spent up to now is 48.7 secs Computing kpt #: 3 total cpu time spent up to now is 52.1 secs Computing kpt #: 4 total cpu time spent up to now is 55.3 secs Computing kpt #: 5 total cpu time spent up to now is 58.5 secs Computing kpt #: 6 total cpu time spent up to now is 61.7 secs Computing kpt #: 7 total cpu time spent up to now is 64.8 secs Computing kpt #: 8 total cpu time spent up to now is 68.3 secs Computing kpt #: 9 total cpu time spent up to now is 71.8 secs Computing kpt #: 10 total cpu time spent up to now is 75.2 secs Computing kpt #: 11 total cpu time spent up to now is 78.7 secs Computing kpt #: 12 total cpu time spent up to now is 82.1 secs Computing kpt #: 13 total cpu time spent up to now is 85.6 secs Computing kpt #: 14 total cpu time spent up to now is 89.1 secs Computing kpt #: 15 total cpu time spent up to now is 92.7 secs Computing kpt #: 16 total cpu time spent up to now is 96.3 secs Computing kpt #: 17 total cpu time spent up to now is 100.9 secs Computing kpt #: 18 total cpu time spent up to now is 105.0 secs Computing kpt #: 19 total cpu time spent up to now is 109.5 secs Computing kpt #: 20 total cpu time spent up to now is 113.4 secs Computing kpt #: 21 total cpu time spent up to now is 117.2 secs Computing kpt #: 22 total cpu time spent up to now is 120.9 secs Computing kpt #: 23 total cpu time spent up to now is 125.0 secs Computing kpt #: 24 total cpu time spent up to now is 129.0 secs Computing kpt #: 25 total cpu time spent up to now is 132.7 secs Computing kpt #: 26 total cpu time spent up to now is 136.7 secs Computing kpt #: 27 total cpu time spent up to now is 140.5 secs Computing kpt #: 28 total cpu time spent up to now is 144.3 secs Computing kpt #: 29 total cpu time spent up to now is 148.1 secs Computing kpt #: 30 total cpu time spent up to now is 151.9 secs Computing kpt #: 31 total cpu time spent up to now is 155.8 secs Computing kpt #: 32 total cpu time spent up to now is 159.6 secs Computing kpt #: 33 total cpu time spent up to now is 163.5 secs Computing kpt #: 34 total cpu time spent up to now is 167.5 secs Computing kpt #: 35 total cpu time spent up to now is 171.3 secs Computing kpt #: 36 total cpu time spent up to now is 175.1 secs Computing kpt #: 37 total cpu time spent up to now is 179.0 secs Computing kpt #: 38 total cpu time spent up to now is 182.8 secs Computing kpt #: 39 total cpu time spent up to now is 186.6 secs Computing kpt #: 40 total cpu time spent up to now is 190.3 secs Computing kpt #: 41 total cpu time spent up to now is 193.9 secs Computing kpt #: 42 total cpu time spent up to now is 197.5 secs Computing kpt #: 43 total cpu time spent up to now is 201.0 secs Computing kpt #: 44 total cpu time spent up to now is 204.7 secs Computing kpt #: 45 total cpu time spent up to now is 208.4 secs Computing kpt #: 46 total cpu time spent up to now is 212.1 secs Computing kpt #: 47 total cpu time spent up to now is 215.9 secs Computing kpt #: 48 total cpu time spent up to now is 219.4 secs Computing kpt #: 49 total cpu time spent up to now is 223.1 secs Computing kpt #: 50 total cpu time spent up to now is 227.0 secs Computing kpt #: 51 total cpu time spent up to now is 230.5 secs Computing kpt #: 52 total cpu time spent up to now is 234.1 secs Computing kpt #: 53 total cpu time spent up to now is 237.8 secs Computing kpt #: 54 total cpu time spent up to now is 241.4 secs Computing kpt #: 55 total cpu time spent up to now is 245.0 secs Computing kpt #: 56 total cpu time spent up to now is 248.7 secs Computing kpt #: 57 total cpu time spent up to now is 252.3 secs Computing kpt #: 58 total cpu time spent up to now is 256.0 secs Computing kpt #: 59 total cpu time spent up to now is 259.5 secs Computing kpt #: 60 total cpu time spent up to now is 263.1 secs Computing kpt #: 61 total cpu time spent up to now is 267.0 secs Computing kpt #: 62 total cpu time spent up to now is 270.6 secs Computing kpt #: 63 total cpu time spent up to now is 274.1 secs Computing kpt #: 64 total cpu time spent up to now is 277.6 secs Computing kpt #: 65 total cpu time spent up to now is 281.0 secs Computing kpt #: 66 total cpu time spent up to now is 284.5 secs Computing kpt #: 67 total cpu time spent up to now is 288.2 secs Computing kpt #: 68 total cpu time spent up to now is 291.8 secs Computing kpt #: 69 total cpu time spent up to now is 295.5 secs Computing kpt #: 70 total cpu time spent up to now is 299.1 secs Computing kpt #: 71 total cpu time spent up to now is 302.8 secs Computing kpt #: 72 total cpu time spent up to now is 306.5 secs Computing kpt #: 73 total cpu time spent up to now is 310.3 secs Computing kpt #: 74 total cpu time spent up to now is 314.1 secs Computing kpt #: 75 total cpu time spent up to now is 318.0 secs Computing kpt #: 76 total cpu time spent up to now is 321.6 secs Computing kpt #: 77 total cpu time spent up to now is 325.2 secs Computing kpt #: 78 total cpu time spent up to now is 329.2 secs Computing kpt #: 79 total cpu time spent up to now is 333.2 secs Computing kpt #: 80 total cpu time spent up to now is 337.3 secs Computing kpt #: 81 total cpu time spent up to now is 342.2 secs Computing kpt #: 82 total cpu time spent up to now is 346.6 secs Computing kpt #: 83 total cpu time spent up to now is 351.0 secs Computing kpt #: 84 total cpu time spent up to now is 354.8 secs Computing kpt #: 85 total cpu time spent up to now is 358.7 secs Computing kpt #: 86 total cpu time spent up to now is 362.4 secs Computing kpt #: 87 total cpu time spent up to now is 366.3 secs Computing kpt #: 88 total cpu time spent up to now is 369.9 secs Computing kpt #: 89 total cpu time spent up to now is 373.5 secs Computing kpt #: 90 total cpu time spent up to now is 377.1 secs Computing kpt #: 91 total cpu time spent up to now is 380.7 secs Computing kpt #: 92 total cpu time spent up to now is 384.4 secs Computing kpt #: 93 total cpu time spent up to now is 388.2 secs Computing kpt #: 94 total cpu time spent up to now is 392.0 secs Computing kpt #: 95 total cpu time spent up to now is 395.6 secs Computing kpt #: 96 total cpu time spent up to now is 399.8 secs Computing kpt #: 97 total cpu time spent up to now is 405.0 secs Computing kpt #: 98 total cpu time spent up to now is 408.8 secs Computing kpt #: 99 total cpu time spent up to now is 412.4 secs Computing kpt #: 100 total cpu time spent up to now is 416.1 secs Computing kpt #: 101 total cpu time spent up to now is 419.7 secs Computing kpt #: 102 total cpu time spent up to now is 423.3 secs Computing kpt #: 103 total cpu time spent up to now is 426.8 secs Computing kpt #: 104 total cpu time spent up to now is 430.6 secs Computing kpt #: 105 total cpu time spent up to now is 434.1 secs Computing kpt #: 106 total cpu time spent up to now is 437.2 secs Computing kpt #: 107 total cpu time spent up to now is 440.4 secs Computing kpt #: 108 total cpu time spent up to now is 443.7 secs Computing kpt #: 109 total cpu time spent up to now is 446.9 secs Computing kpt #: 110 total cpu time spent up to now is 450.1 secs Computing kpt #: 111 total cpu time spent up to now is 453.3 secs Computing kpt #: 112 total cpu time spent up to now is 457.1 secs Computing kpt #: 113 total cpu time spent up to now is 460.5 secs Computing kpt #: 114 total cpu time spent up to now is 464.0 secs Computing kpt #: 115 total cpu time spent up to now is 467.4 secs Computing kpt #: 116 total cpu time spent up to now is 471.2 secs Computing kpt #: 117 total cpu time spent up to now is 474.9 secs Computing kpt #: 118 total cpu time spent up to now is 478.4 secs Computing kpt #: 119 total cpu time spent up to now is 482.0 secs Computing kpt #: 120 total cpu time spent up to now is 486.5 secs Computing kpt #: 121 total cpu time spent up to now is 490.2 secs Computing kpt #: 122 total cpu time spent up to now is 494.0 secs Computing kpt #: 123 total cpu time spent up to now is 497.6 secs Computing kpt #: 124 total cpu time spent up to now is 501.2 secs Computing kpt #: 125 total cpu time spent up to now is 504.8 secs Computing kpt #: 126 total cpu time spent up to now is 508.3 secs Computing kpt #: 127 total cpu time spent up to now is 511.9 secs Computing kpt #: 128 total cpu time spent up to now is 515.5 secs Computing kpt #: 129 total cpu time spent up to now is 519.2 secs Computing kpt #: 130 total cpu time spent up to now is 522.8 secs Computing kpt #: 131 total cpu time spent up to now is 526.5 secs Computing kpt #: 132 total cpu time spent up to now is 530.0 secs Computing kpt #: 133 total cpu time spent up to now is 533.7 secs Computing kpt #: 134 total cpu time spent up to now is 537.3 secs Computing kpt #: 135 total cpu time spent up to now is 540.7 secs Computing kpt #: 136 total cpu time spent up to now is 544.1 secs Computing kpt #: 137 total cpu time spent up to now is 547.6 secs Computing kpt #: 138 total cpu time spent up to now is 551.5 secs Computing kpt #: 139 total cpu time spent up to now is 554.9 secs Computing kpt #: 140 total cpu time spent up to now is 558.4 secs Computing kpt #: 141 total cpu time spent up to now is 562.1 secs Computing kpt #: 142 total cpu time spent up to now is 565.8 secs Computing kpt #: 143 total cpu time spent up to now is 569.2 secs Computing kpt #: 144 total cpu time spent up to now is 573.8 secs Computing kpt #: 145 total cpu time spent up to now is 578.4 secs Computing kpt #: 146 total cpu time spent up to now is 582.8 secs Computing kpt #: 147 total cpu time spent up to now is 587.2 secs Computing kpt #: 148 total cpu time spent up to now is 591.7 secs Computing kpt #: 149 total cpu time spent up to now is 596.2 secs Computing kpt #: 150 total cpu time spent up to now is 600.6 secs Computing kpt #: 151 total cpu time spent up to now is 604.6 secs Computing kpt #: 152 total cpu time spent up to now is 608.3 secs Computing kpt #: 153 total cpu time spent up to now is 612.6 secs Computing kpt #: 154 total cpu time spent up to now is 617.0 secs Computing kpt #: 155 total cpu time spent up to now is 621.4 secs Computing kpt #: 156 total cpu time spent up to now is 625.9 secs Computing kpt #: 157 total cpu time spent up to now is 630.2 secs Computing kpt #: 158 total cpu time spent up to now is 635.6 secs Computing kpt #: 159 total cpu time spent up to now is 639.7 secs Computing kpt #: 160 total cpu time spent up to now is 643.3 secs Computing kpt #: 161 total cpu time spent up to now is 646.9 secs Computing kpt #: 162 total cpu time spent up to now is 650.5 secs Computing kpt #: 163 total cpu time spent up to now is 654.3 secs Computing kpt #: 164 total cpu time spent up to now is 658.2 secs Computing kpt #: 165 total cpu time spent up to now is 662.0 secs Computing kpt #: 166 total cpu time spent up to now is 665.9 secs Computing kpt #: 167 total cpu time spent up to now is 669.9 secs Computing kpt #: 168 total cpu time spent up to now is 673.9 secs Computing kpt #: 169 total cpu time spent up to now is 678.0 secs Computing kpt #: 170 total cpu time spent up to now is 682.3 secs Computing kpt #: 171 total cpu time spent up to now is 686.2 secs Computing kpt #: 172 total cpu time spent up to now is 690.5 secs Computing kpt #: 173 total cpu time spent up to now is 694.5 secs Computing kpt #: 174 total cpu time spent up to now is 699.1 secs Computing kpt #: 175 total cpu time spent up to now is 703.5 secs Computing kpt #: 176 total cpu time spent up to now is 707.3 secs Computing kpt #: 177 total cpu time spent up to now is 711.7 secs Computing kpt #: 178 total cpu time spent up to now is 716.2 secs Computing kpt #: 179 total cpu time spent up to now is 720.8 secs Computing kpt #: 180 total cpu time spent up to now is 725.3 secs Computing kpt #: 181 total cpu time spent up to now is 729.7 secs Computing kpt #: 182 total cpu time spent up to now is 734.0 secs Computing kpt #: 183 total cpu time spent up to now is 738.5 secs Computing kpt #: 184 total cpu time spent up to now is 742.5 secs Computing kpt #: 185 total cpu time spent up to now is 746.6 secs Computing kpt #: 186 total cpu time spent up to now is 751.3 secs Computing kpt #: 187 total cpu time spent up to now is 756.4 secs Computing kpt #: 188 total cpu time spent up to now is 761.5 secs Computing kpt #: 189 total cpu time spent up to now is 765.6 secs Computing kpt #: 190 total cpu time spent up to now is 769.8 secs Computing kpt #: 191 total cpu time spent up to now is 773.9 secs Computing kpt #: 192 total cpu time spent up to now is 778.0 secs Computing kpt #: 193 total cpu time spent up to now is 782.2 secs Computing kpt #: 194 total cpu time spent up to now is 786.1 secs Computing kpt #: 195 total cpu time spent up to now is 790.1 secs Computing kpt #: 196 total cpu time spent up to now is 793.8 secs Computing kpt #: 197 total cpu time spent up to now is 797.6 secs Computing kpt #: 198 total cpu time spent up to now is 801.3 secs Computing kpt #: 199 total cpu time spent up to now is 805.0 secs Computing kpt #: 200 total cpu time spent up to now is 809.1 secs Computing kpt #: 201 total cpu time spent up to now is 812.7 secs Computing kpt #: 202 total cpu time spent up to now is 816.4 secs Computing kpt #: 203 total cpu time spent up to now is 820.0 secs Computing kpt #: 204 total cpu time spent up to now is 823.6 secs Computing kpt #: 205 total cpu time spent up to now is 827.2 secs Computing kpt #: 206 total cpu time spent up to now is 830.9 secs Computing kpt #: 207 total cpu time spent up to now is 834.5 secs Computing kpt #: 208 total cpu time spent up to now is 838.1 secs Computing kpt #: 209 total cpu time spent up to now is 841.7 secs Computing kpt #: 210 total cpu time spent up to now is 845.2 secs Computing kpt #: 211 total cpu time spent up to now is 848.9 secs Computing kpt #: 212 total cpu time spent up to now is 852.6 secs Computing kpt #: 213 total cpu time spent up to now is 856.2 secs Computing kpt #: 214 total cpu time spent up to now is 859.8 secs Computing kpt #: 215 total cpu time spent up to now is 863.4 secs Computing kpt #: 216 total cpu time spent up to now is 867.2 secs Computing kpt #: 217 total cpu time spent up to now is 871.0 secs Computing kpt #: 218 total cpu time spent up to now is 874.5 secs Computing kpt #: 219 total cpu time spent up to now is 878.1 secs Computing kpt #: 220 total cpu time spent up to now is 881.9 secs Computing kpt #: 221 total cpu time spent up to now is 885.4 secs Computing kpt #: 222 total cpu time spent up to now is 889.0 secs Computing kpt #: 223 total cpu time spent up to now is 892.5 secs Computing kpt #: 224 total cpu time spent up to now is 896.1 secs Computing kpt #: 225 total cpu time spent up to now is 899.6 secs Computing kpt #: 226 total cpu time spent up to now is 903.1 secs Computing kpt #: 227 total cpu time spent up to now is 906.6 secs Computing kpt #: 228 total cpu time spent up to now is 910.1 secs Computing kpt #: 229 total cpu time spent up to now is 913.9 secs Computing kpt #: 230 total cpu time spent up to now is 917.8 secs Computing kpt #: 231 total cpu time spent up to now is 921.4 secs Computing kpt #: 232 total cpu time spent up to now is 925.0 secs Computing kpt #: 233 total cpu time spent up to now is 928.6 secs Computing kpt #: 234 total cpu time spent up to now is 932.6 secs Computing kpt #: 235 total cpu time spent up to now is 936.1 secs Computing kpt #: 236 total cpu time spent up to now is 939.8 secs Computing kpt #: 237 total cpu time spent up to now is 943.4 secs Computing kpt #: 238 total cpu time spent up to now is 946.9 secs Computing kpt #: 239 total cpu time spent up to now is 950.5 secs Computing kpt #: 240 total cpu time spent up to now is 954.2 secs Computing kpt #: 241 total cpu time spent up to now is 957.8 secs Computing kpt #: 242 total cpu time spent up to now is 961.8 secs Computing kpt #: 243 total cpu time spent up to now is 966.4 secs Computing kpt #: 244 total cpu time spent up to now is 970.8 secs Computing kpt #: 245 total cpu time spent up to now is 975.0 secs Computing kpt #: 246 total cpu time spent up to now is 979.5 secs Computing kpt #: 247 total cpu time spent up to now is 983.6 secs Computing kpt #: 248 total cpu time spent up to now is 988.1 secs Computing kpt #: 249 total cpu time spent up to now is 992.6 secs Computing kpt #: 250 total cpu time spent up to now is 997.2 secs Computing kpt #: 251 total cpu time spent up to now is 1004.0 secs Computing kpt #: 252 total cpu time spent up to now is 1008.8 secs Computing kpt #: 253 total cpu time spent up to now is 1013.2 secs Computing kpt #: 254 total cpu time spent up to now is 1017.6 secs Computing kpt #: 255 total cpu time spent up to now is 1022.3 secs Computing kpt #: 256 total cpu time spent up to now is 1026.7 secs Computing kpt #: 257 total cpu time spent up to now is 1031.2 secs Computing kpt #: 258 total cpu time spent up to now is 1035.6 secs Computing kpt #: 259 total cpu time spent up to now is 1040.4 secs Computing kpt #: 260 total cpu time spent up to now is 1045.0 secs Computing kpt #: 261 total cpu time spent up to now is 1049.6 secs Computing kpt #: 262 total cpu time spent up to now is 1052.9 secs Computing kpt #: 263 total cpu time spent up to now is 1056.6 secs Computing kpt #: 264 total cpu time spent up to now is 1060.2 secs Computing kpt #: 265 total cpu time spent up to now is 1063.8 secs Computing kpt #: 266 total cpu time spent up to now is 1067.5 secs Computing kpt #: 267 total cpu time spent up to now is 1071.3 secs Computing kpt #: 268 total cpu time spent up to now is 1075.1 secs Computing kpt #: 269 total cpu time spent up to now is 1078.8 secs Computing kpt #: 270 total cpu time spent up to now is 1082.5 secs Computing kpt #: 271 total cpu time spent up to now is 1086.8 secs Computing kpt #: 272 total cpu time spent up to now is 1090.5 secs Computing kpt #: 273 total cpu time spent up to now is 1094.2 secs Computing kpt #: 274 total cpu time spent up to now is 1098.1 secs Computing kpt #: 275 total cpu time spent up to now is 1102.2 secs Computing kpt #: 276 total cpu time spent up to now is 1105.7 secs Computing kpt #: 277 total cpu time spent up to now is 1109.5 secs Computing kpt #: 278 total cpu time spent up to now is 1113.0 secs ethr = 1.92E-11, avg # of iterations = 30.5 total cpu time spent up to now is 1113.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5903 PWs) bands (ev): -6.7712 -6.7712 -4.3011 -4.3011 -4.2987 -4.2987 -4.2978 -4.2978 -2.2127 -2.2127 -0.6139 -0.6139 -0.5850 -0.5850 -0.4998 -0.4998 -0.4476 -0.4476 -0.3086 -0.3086 -0.2594 -0.2594 -0.2201 -0.2201 -0.1281 -0.1281 -0.1124 -0.1124 -0.0890 -0.0890 -0.0015 -0.0015 1.5889 1.5889 2.1628 2.1628 2.1675 2.1675 2.4280 2.4280 2.8638 2.8638 4.0154 4.0154 4.0835 4.0835 6.1080 6.1080 6.3682 6.3682 6.4556 6.4556 7.5739 7.5739 7.6102 7.6102 8.1487 8.1487 9.3656 9.3656 9.4137 9.4137 k = 0.0000 0.0000 0.0213 ( 5900 PWs) bands (ev): -6.7702 -6.7702 -4.3041 -4.3022 -4.3005 -4.2995 -4.2979 -4.2971 -2.2112 -2.2109 -0.6154 -0.6125 -0.5876 -0.5832 -0.5011 -0.4988 -0.4536 -0.4417 -0.3106 -0.3068 -0.2623 -0.2598 -0.2261 -0.2120 -0.1370 -0.1196 -0.1136 -0.1110 -0.0898 -0.0893 -0.0079 0.0095 1.5873 1.5905 2.1534 2.1561 2.1710 2.1739 2.4269 2.4407 2.8635 2.8678 4.0116 4.0175 4.0822 4.0831 6.0946 6.1035 6.3553 6.3572 6.4458 6.4537 7.5790 7.5807 7.6282 7.6290 8.1529 8.1578 9.3643 9.3688 9.4131 9.4155 k = 0.0000 0.0000 0.0426 ( 5896 PWs) bands (ev): -6.7673 -6.7672 -4.3100 -4.3084 -4.3032 -4.3028 -4.2978 -4.2967 -2.2061 -2.2057 -0.6171 -0.6114 -0.5910 -0.5823 -0.5026 -0.4981 -0.4595 -0.4362 -0.3130 -0.3055 -0.2689 -0.2618 -0.2288 -0.2039 -0.1457 -0.1177 -0.1099 -0.1097 -0.0910 -0.0902 -0.0090 0.0238 1.5856 1.5920 2.1388 2.1472 2.1758 2.1762 2.4379 2.4627 2.8669 2.8752 4.0045 4.0173 4.0803 4.0830 6.0597 6.0795 6.3191 6.3292 6.4292 6.4410 7.5951 7.5986 7.6788 7.6810 8.1705 8.1804 9.3650 9.3730 9.4138 9.4190 k = 0.0000 0.0000 0.0639 ( 5892 PWs) bands (ev): -6.7623 -6.7622 -4.3192 -4.3179 -4.3083 -4.3081 -4.2978 -4.2967 -2.1978 -2.1971 -0.6189 -0.6105 -0.5950 -0.5822 -0.5043 -0.4981 -0.4648 -0.4311 -0.3156 -0.3050 -0.2777 -0.2647 -0.2290 -0.1966 -0.1539 -0.1210 -0.1089 -0.1054 -0.0913 -0.0897 -0.0048 0.0402 1.5837 1.5931 2.1241 2.1382 2.1746 2.1796 2.4596 2.4917 2.8731 2.8847 3.9920 4.0119 4.0818 4.0867 5.9974 6.0292 6.2717 6.2953 6.4091 6.4209 7.6203 7.6258 7.7530 7.7575 8.2027 8.2176 9.3676 9.3774 9.4165 9.4249 k = 0.0000 0.0000 0.0852 ( 5894 PWs) bands (ev): -6.7554 -6.7553 -4.3318 -4.3306 -4.3156 -4.3155 -4.2979 -4.2969 -2.1862 -2.1853 -0.6211 -0.6104 -0.5991 -0.5828 -0.5062 -0.4990 -0.4692 -0.4267 -0.3186 -0.3064 -0.2856 -0.2677 -0.2281 -0.1906 -0.1617 -0.1261 -0.1082 -0.1055 -0.0921 -0.0839 0.0035 0.0576 1.5812 1.5932 2.1115 2.1303 2.1717 2.1834 2.4896 2.5258 2.8807 2.8950 3.9743 4.0001 4.0898 4.0958 5.9066 5.9476 6.2269 6.2638 6.3861 6.3953 7.6520 7.6595 7.8413 7.8490 8.2510 8.2706 9.3709 9.3810 9.4227 9.4343 k = 0.0000 0.0000 0.1065 ( 5886 PWs) bands (ev): -6.7464 -6.7463 -4.3476 -4.3465 -4.3248 -4.3247 -4.2982 -4.2974 -2.1716 -2.1705 -0.6236 -0.6124 -0.6020 -0.5840 -0.5082 -0.5011 -0.4722 -0.4232 -0.3217 -0.3111 -0.2898 -0.2707 -0.2268 -0.1859 -0.1689 -0.1324 -0.1078 -0.1068 -0.0924 -0.0768 0.0147 0.0753 1.5776 1.5919 2.1026 2.1250 2.1696 2.1879 2.5254 2.5634 2.8881 2.9044 3.9541 3.9847 4.1042 4.1103 5.7931 5.8392 6.1866 6.2349 6.3613 6.3662 7.6873 7.6965 7.9357 7.9476 8.3167 8.3406 9.3735 9.3834 9.4342 9.4479 k = 0.0000 0.0000 0.1278 ( 5892 PWs) bands (ev): -6.7356 -6.7354 -4.3665 -4.3655 -4.3359 -4.3358 -4.2987 -4.2980 -2.1540 -2.1528 -0.6265 -0.6175 -0.6027 -0.5858 -0.5104 -0.5044 -0.4737 -0.4206 -0.3250 -0.3184 -0.2905 -0.2734 -0.2258 -0.1823 -0.1755 -0.1393 -0.1081 -0.1078 -0.0921 -0.0701 0.0275 0.0924 1.5725 1.5883 2.0986 2.1235 2.1704 2.1939 2.5652 2.6035 2.8936 2.9111 3.9350 3.9695 4.1236 4.1292 5.6644 5.7136 6.1458 6.2042 6.3359 6.3364 7.7239 7.7344 8.0305 8.0473 8.4006 8.4281 9.3744 9.3846 9.4519 9.4659 k = 0.0000 0.0000 0.1491 ( 5890 PWs) bands (ev): -6.7227 -6.7226 -4.3882 -4.3872 -4.3486 -4.3485 -4.2995 -4.2988 -2.1338 -2.1324 -0.6299 -0.6245 -0.6022 -0.5879 -0.5129 -0.5086 -0.4740 -0.4191 -0.3285 -0.3258 -0.2897 -0.2759 -0.2251 -0.1815 -0.1797 -0.1463 -0.1091 -0.1082 -0.0913 -0.0642 0.0407 0.1083 1.5657 1.5821 2.1006 2.1264 2.1751 2.2017 2.6075 2.6453 2.8959 2.9139 3.9203 3.9582 4.1468 4.1517 5.5265 5.5780 6.1000 6.1667 6.3078 6.3130 7.7602 7.7715 8.1216 8.1440 8.5020 8.5322 9.3735 9.3851 9.4757 9.4882 k = 0.0000 0.0000 0.1704 ( 5882 PWs) bands (ev): -6.7080 -6.7078 -4.4125 -4.4115 -4.3630 -4.3628 -4.3006 -4.2999 -2.1110 -2.1096 -0.6339 -0.6325 -0.6013 -0.5902 -0.5155 -0.5130 -0.4735 -0.4188 -0.3322 -0.3319 -0.2881 -0.2780 -0.2249 -0.1866 -0.1779 -0.1530 -0.1098 -0.1091 -0.0898 -0.0594 0.0536 0.1224 1.5569 1.5730 2.1093 2.1341 2.1848 2.2112 2.6516 2.6879 2.8946 2.9124 3.9129 3.9537 4.1727 4.1766 5.3837 5.4376 6.0471 6.1197 6.2839 6.2918 7.7956 7.8072 8.2063 8.2346 8.6194 8.6512 9.3715 9.3855 9.5048 9.5144 k = 0.0000 0.0000 0.1917 ( 5894 PWs) bands (ev): -6.6914 -6.6912 -4.4391 -4.4381 -4.3787 -4.3786 -4.3020 -4.3014 -2.0860 -2.0845 -0.6413 -0.6387 -0.6002 -0.5926 -0.5183 -0.5175 -0.4725 -0.4197 -0.3373 -0.3354 -0.2860 -0.2798 -0.2254 -0.1909 -0.1767 -0.1594 -0.1104 -0.1104 -0.0880 -0.0556 0.0651 0.1342 1.5460 1.5608 2.1254 2.1458 2.1999 2.2212 2.6963 2.7305 2.8909 2.9075 3.9146 3.9576 4.2002 4.2027 5.2396 5.2961 5.9867 6.0630 6.2639 6.2727 7.8301 7.8415 8.2832 8.3172 8.7497 8.7820 9.3695 9.3870 9.5383 9.5443 k = 0.0000 0.0000 0.2130 ( 5908 PWs) bands (ev): -6.6729 -6.6726 -4.4677 -4.4667 -4.3957 -4.3956 -4.3039 -4.3032 -2.0589 -2.0575 -0.6506 -0.6441 -0.5990 -0.5950 -0.5218 -0.5213 -0.4711 -0.4215 -0.3413 -0.3388 -0.2837 -0.2813 -0.2265 -0.1942 -0.1762 -0.1653 -0.1121 -0.1109 -0.0858 -0.0530 0.0749 0.1434 1.5333 1.5459 2.1491 2.1596 2.2214 2.2299 2.7408 2.7719 2.8878 2.9017 3.9262 3.9708 4.2273 4.2280 5.0973 5.1571 5.9196 5.9981 6.2466 6.2551 7.8640 7.8749 8.3516 8.3909 8.8886 8.9194 9.3694 9.3924 9.5752 9.5774 k = 0.0000 0.0000 0.2343 ( 5900 PWs) bands (ev): -6.6525 -6.6523 -4.4981 -4.4971 -4.4138 -4.4136 -4.3062 -4.3056 -2.0299 -2.0286 -0.6602 -0.6501 -0.5978 -0.5971 -0.5257 -0.5243 -0.4696 -0.4243 -0.3442 -0.3421 -0.2825 -0.2810 -0.2283 -0.1966 -0.1764 -0.1704 -0.1141 -0.1114 -0.0833 -0.0514 0.0825 0.1498 1.5188 1.5285 2.1725 2.1807 2.2349 2.2501 2.7836 2.8098 2.8912 2.8992 3.9474 3.9930 4.2492 4.2508 4.9611 5.0247 5.8468 5.9267 6.2308 6.2384 7.8976 7.9080 8.4114 8.4554 9.0278 9.0535 9.3770 9.4092 9.6133 9.6146 k = 0.0000 0.0000 0.2556 ( 5904 PWs) bands (ev): -6.6304 -6.6301 -4.5300 -4.5290 -4.4328 -4.4326 -4.3091 -4.3085 -1.9993 -1.9981 -0.6701 -0.6568 -0.5990 -0.5965 -0.5293 -0.5274 -0.4679 -0.4277 -0.3465 -0.3452 -0.2834 -0.2781 -0.2304 -0.1984 -0.1786 -0.1735 -0.1164 -0.1119 -0.0806 -0.0508 0.0877 0.1531 1.5027 1.5089 2.1812 2.2186 2.2350 2.2868 2.8224 2.8412 2.9064 2.9081 3.9773 4.0233 4.2606 4.2643 4.8381 4.9054 5.7694 5.8501 6.2156 6.2222 7.9315 7.9411 8.4633 8.5111 9.1469 9.1621 9.4095 9.4566 9.6512 9.6558 k = 0.0000 0.0000 0.2770 ( 5908 PWs) bands (ev): -6.6064 -6.6061 -4.5632 -4.5621 -4.4524 -4.4522 -4.3126 -4.3120 -1.9671 -1.9662 -0.6803 -0.6640 -0.6007 -0.5952 -0.5325 -0.5306 -0.4662 -0.4315 -0.3484 -0.3481 -0.2842 -0.2751 -0.2328 -0.1996 -0.1829 -0.1745 -0.1192 -0.1124 -0.0776 -0.0513 0.0903 0.1534 1.4853 1.4875 2.1830 2.2206 2.2700 2.3315 2.8559 2.8693 2.9284 2.9390 4.0145 4.0605 4.2527 4.2563 4.7404 4.8092 5.6884 5.7697 6.2005 6.2059 7.9659 7.9747 8.5078 8.5584 9.2120 9.2199 9.4974 9.5563 9.6906 9.6981 k = 0.0000 0.0000 0.2983 ( 5910 PWs) bands (ev): -6.5808 -6.5804 -4.5974 -4.5964 -4.4726 -4.4724 -4.3169 -4.3163 -1.9337 -1.9330 -0.6905 -0.6717 -0.6022 -0.5939 -0.5353 -0.5337 -0.4645 -0.4357 -0.3508 -0.3500 -0.2847 -0.2718 -0.2352 -0.2005 -0.1875 -0.1750 -0.1222 -0.1130 -0.0746 -0.0527 0.0904 0.1508 1.4643 1.4665 2.1765 2.2009 2.3251 2.3839 2.8892 2.9028 2.9629 2.9770 4.0574 4.1030 4.2126 4.2145 4.6827 4.7474 5.6050 5.6863 6.1851 6.1894 8.0011 8.0090 8.5459 8.5983 9.2276 9.2365 9.6312 9.6936 9.7313 9.7408 k = 0.0000 0.0000 0.3196 ( 5910 PWs) bands (ev): -6.5534 -6.5531 -4.6325 -4.6314 -4.4932 -4.4929 -4.3220 -4.3213 -1.8990 -1.8987 -0.7008 -0.6796 -0.6035 -0.5926 -0.5377 -0.5368 -0.4627 -0.4402 -0.3534 -0.3517 -0.2851 -0.2684 -0.2376 -0.2012 -0.1920 -0.1756 -0.1256 -0.1137 -0.0714 -0.0551 0.0881 0.1457 1.4395 1.4463 2.1621 2.1729 2.3878 2.4433 2.9298 2.9462 3.0031 3.0174 4.1042 4.1254 4.1434 4.1549 4.6676 4.7235 5.5202 5.6013 6.1693 6.1725 8.0371 8.0441 8.5783 8.6315 9.2212 9.2331 9.7668 9.7696 9.7928 9.8422 k = 0.0000 0.0000 0.3409 ( 5902 PWs) bands (ev): -6.5245 -6.5241 -4.6682 -4.6671 -4.5139 -4.5136 -4.3279 -4.3273 -1.8635 -1.8633 -0.7111 -0.6879 -0.6046 -0.5912 -0.5398 -0.5398 -0.4610 -0.4448 -0.3557 -0.3533 -0.2853 -0.2649 -0.2398 -0.2017 -0.1964 -0.1762 -0.1293 -0.1146 -0.0683 -0.0582 0.0836 0.1382 1.4130 1.4246 2.1397 2.1416 2.4571 2.5089 2.9805 2.9979 3.0454 3.0598 4.0224 4.0470 4.1556 4.2014 4.6817 4.7283 5.4356 5.5157 6.1530 6.1551 8.0740 8.0802 8.6055 8.6587 9.2051 9.2198 9.8082 9.8177 9.9171 9.9772 k = 0.0000 0.0000 0.3622 ( 5910 PWs) bands (ev): -6.4939 -6.4935 -4.7044 -4.7033 -4.5347 -4.5344 -4.3348 -4.3342 -1.8275 -1.8267 -0.7214 -0.6963 -0.6055 -0.5898 -0.5428 -0.5417 -0.4594 -0.4497 -0.3578 -0.3551 -0.2853 -0.2615 -0.2418 -0.2022 -0.2007 -0.1770 -0.1332 -0.1157 -0.0652 -0.0620 0.0773 0.1287 1.3848 1.4012 2.1043 2.1178 2.5321 2.5798 3.0383 3.0497 3.0899 3.1093 3.9070 3.9410 4.2078 4.2529 4.7111 4.7495 5.3529 5.4309 6.1361 6.1372 8.1120 8.1171 8.6282 8.6805 9.1831 9.2001 9.8435 9.8538 10.0263 10.0812 k = 0.0000 0.0000 0.3835 ( 5918 PWs) bands (ev): -6.4618 -6.4613 -4.7409 -4.7398 -4.5552 -4.5549 -4.3428 -4.3421 -1.7908 -1.7893 -0.7316 -0.7049 -0.6064 -0.5884 -0.5457 -0.5433 -0.4579 -0.4547 -0.3597 -0.3572 -0.2853 -0.2583 -0.2435 -0.2050 -0.2026 -0.1777 -0.1374 -0.1170 -0.0664 -0.0622 0.0695 0.1176 1.3546 1.3759 2.0697 2.0934 2.6116 2.6545 3.0876 3.0899 3.1457 3.1755 3.7929 3.8350 4.2610 4.3054 4.7468 4.7768 5.2752 5.3491 6.1187 6.1187 8.1508 8.1549 8.6466 8.6974 9.1565 9.1754 9.8735 9.8832 10.1009 10.1021 k = 0.0000 0.0000 0.4048 ( 5916 PWs) bands (ev): -6.4283 -6.4278 -4.7777 -4.7765 -4.5755 -4.5751 -4.3518 -4.3511 -1.7534 -1.7511 -0.7419 -0.7136 -0.6071 -0.5869 -0.5486 -0.5447 -0.4597 -0.4564 -0.3615 -0.3594 -0.2852 -0.2556 -0.2445 -0.2092 -0.2031 -0.1786 -0.1416 -0.1186 -0.0713 -0.0593 0.0603 0.1053 1.3227 1.3484 2.0383 2.0708 2.6937 2.7309 3.1075 3.1199 3.2221 3.2569 3.6901 3.7388 4.3140 4.3579 4.7824 4.8014 5.2076 5.2735 6.0998 6.1008 8.1905 8.1934 8.6609 8.7096 9.1262 9.1463 9.8951 9.9037 10.0863 10.1403 k = 0.0000 0.0000 0.4261 ( 5912 PWs) bands (ev): -6.3934 -6.3928 -4.8145 -4.8134 -4.5952 -4.5948 -4.3619 -4.3612 -1.7156 -1.7124 -0.7521 -0.7223 -0.6077 -0.5854 -0.5513 -0.5458 -0.4648 -0.4550 -0.3630 -0.3620 -0.2850 -0.2540 -0.2444 -0.2133 -0.2034 -0.1794 -0.1460 -0.1205 -0.0765 -0.0567 0.0503 0.0921 1.2892 1.3188 2.0119 2.0520 2.7749 2.8048 3.1083 3.1273 3.3117 3.3482 3.6106 3.6624 4.3662 4.4095 4.8111 4.8132 5.1587 5.2095 6.0803 6.0824 8.2307 8.2323 8.6712 8.7173 9.0923 9.1130 9.9051 9.9121 10.0769 10.1358 k = 0.0000 0.0000 0.4474 ( 5904 PWs) bands (ev): -6.3571 -6.3565 -4.8514 -4.8502 -4.6143 -4.6138 -4.3732 -4.3725 -1.6775 -1.6731 -0.7624 -0.7312 -0.6082 -0.5839 -0.5540 -0.5469 -0.4700 -0.4537 -0.3648 -0.3644 -0.2847 -0.2538 -0.2428 -0.2175 -0.2038 -0.1802 -0.1504 -0.1228 -0.0819 -0.0545 0.0397 0.0784 1.2544 1.2875 1.9919 2.0380 2.8460 2.8660 3.0922 3.1136 3.4098 3.4460 3.5667 3.6155 4.4164 4.4595 4.8020 4.8236 5.1382 5.1661 6.0606 6.0638 8.2711 8.2712 8.6772 8.7203 9.0550 9.0756 9.9016 9.9067 10.0744 10.1297 k = 0.0000 0.0000 0.4687 ( 5894 PWs) bands (ev): -6.3196 -6.3190 -4.8882 -4.8870 -4.6326 -4.6321 -4.3857 -4.3849 -1.6390 -1.6334 -0.7727 -0.7402 -0.6086 -0.5824 -0.5566 -0.5478 -0.4750 -0.4525 -0.3680 -0.3656 -0.2844 -0.2546 -0.2404 -0.2217 -0.2040 -0.1811 -0.1547 -0.1254 -0.0875 -0.0528 0.0288 0.0646 1.2190 1.2548 1.9788 2.0298 2.8788 2.8856 3.0849 3.1049 3.5144 3.5439 3.5615 3.6057 4.4638 4.5071 4.7671 4.8115 5.1472 5.1521 6.0407 6.0450 8.3094 8.3112 8.6788 8.7186 9.0146 9.0343 9.8859 9.8880 10.0758 10.1272 k = 0.0000 0.0000 0.4900 ( 5880 PWs) bands (ev): -6.2810 -6.2803 -4.9248 -4.9236 -4.6499 -4.6494 -4.3994 -4.3986 -1.6004 -1.5935 -0.7831 -0.7493 -0.6089 -0.5809 -0.5591 -0.5486 -0.4800 -0.4513 -0.3715 -0.3666 -0.2841 -0.2557 -0.2377 -0.2259 -0.2041 -0.1819 -0.1590 -0.1283 -0.0931 -0.0517 0.0177 0.0509 1.1837 1.2216 1.9729 2.0277 2.8372 2.8405 3.1230 3.1356 3.5854 3.5956 3.6251 3.6733 4.5068 4.5518 4.7198 4.7770 5.1660 5.1762 6.0208 6.0262 8.3459 8.3501 8.6754 8.7116 8.9716 8.9894 9.8576 9.8602 10.0777 10.1262 k = 0.0000 0.0000 0.5113 ( 5898 PWs) bands (ev): -6.2413 -6.2406 -4.9614 -4.9601 -4.6662 -4.6657 -4.4142 -4.4134 -1.5617 -1.5533 -0.7936 -0.7586 -0.6092 -0.5794 -0.5616 -0.5494 -0.4848 -0.4503 -0.3755 -0.3676 -0.2838 -0.2571 -0.2352 -0.2303 -0.2041 -0.1827 -0.1630 -0.1314 -0.0988 -0.0514 0.0068 0.0375 1.1494 1.1888 1.9742 2.0316 2.7474 2.7575 3.1850 3.1868 3.6285 3.6307 3.7395 3.7839 4.5423 4.5929 4.6733 4.7315 5.1977 5.2159 6.0011 6.0075 8.3790 8.3864 8.6663 8.6987 8.9270 8.9418 9.8177 9.8262 10.0786 10.1253 k = 0.0000 0.0000 0.5326 ( 5896 PWs) bands (ev): -6.2007 -6.1999 -4.9977 -4.9964 -4.6813 -4.6808 -4.4301 -4.4293 -1.5231 -1.5130 -0.8044 -0.7681 -0.6094 -0.5779 -0.5640 -0.5502 -0.4894 -0.4492 -0.3799 -0.3685 -0.2835 -0.2584 -0.2346 -0.2328 -0.2039 -0.1833 -0.1669 -0.1347 -0.1044 -0.0519 -0.0040 0.0247 1.1168 1.1576 1.9822 2.0415 2.6417 2.6572 3.2365 3.2449 3.6741 3.6906 3.8575 3.9012 4.5588 4.6295 4.6458 4.6860 5.2386 5.2607 5.9818 5.9892 8.4060 8.4175 8.6506 8.6794 8.8832 8.8934 9.7700 9.7850 10.0783 10.1242 k = 0.0000 0.0000 0.5539 ( 5896 PWs) bands (ev): -6.1592 -6.1584 -5.0339 -5.0326 -4.6951 -4.6945 -4.4471 -4.4462 -1.4847 -1.4727 -0.8153 -0.7778 -0.6095 -0.5765 -0.5664 -0.5509 -0.4936 -0.4482 -0.3848 -0.3695 -0.2832 -0.2596 -0.2390 -0.2309 -0.2034 -0.1839 -0.1704 -0.1380 -0.1099 -0.0532 -0.0144 0.0126 1.0870 1.1287 1.9966 2.0570 2.5304 2.5503 3.2760 3.2914 3.7328 3.7611 3.9784 4.0220 4.5458 4.6419 4.6528 4.6673 5.2836 5.3077 5.9630 5.9714 8.4222 8.4389 8.6273 8.6527 8.8441 8.8480 9.7165 9.7376 10.0777 10.1233 k = 0.0000 0.0000 0.5752 ( 5896 PWs) bands (ev): -6.1169 -6.1161 -5.0699 -5.0686 -4.7075 -4.7069 -4.4650 -4.4641 -1.4466 -1.4326 -0.8266 -0.7879 -0.6095 -0.5750 -0.5688 -0.5516 -0.4974 -0.4471 -0.3902 -0.3705 -0.2830 -0.2607 -0.2434 -0.2293 -0.2026 -0.1844 -0.1737 -0.1413 -0.1152 -0.0556 -0.0245 0.0013 1.0607 1.1033 2.0169 2.0780 2.4178 2.4413 3.3017 3.3195 3.8024 3.8382 4.1010 4.1451 4.5276 4.6169 4.6741 4.6934 5.3301 5.3551 5.9451 5.9544 8.4212 8.4433 8.5951 8.6179 8.8125 8.8159 9.6595 9.6858 10.0775 10.1231 k = 0.0000 0.0000 0.5965 ( 5896 PWs) bands (ev): -6.0740 -6.0731 -5.1058 -5.1045 -4.7184 -4.7177 -4.4838 -4.4829 -1.4089 -1.3928 -0.8382 -0.7984 -0.6094 -0.5735 -0.5711 -0.5523 -0.5007 -0.4459 -0.3962 -0.3716 -0.2828 -0.2616 -0.2477 -0.2281 -0.2014 -0.1847 -0.1766 -0.1443 -0.1204 -0.0587 -0.0344 -0.0092 1.0386 1.0821 2.0427 2.1038 2.3060 2.3324 3.3124 3.3280 3.8782 3.9174 4.2241 4.2696 4.5218 4.6065 4.6953 4.7173 5.3766 5.4020 5.9282 5.9381 8.3971 8.4223 8.5527 8.5741 8.7952 8.8045 9.6016 9.6317 10.0783 10.1240 k = 0.0000 0.0000 0.6178 ( 5896 PWs) bands (ev): -6.0306 -6.0297 -5.1417 -5.1403 -4.7276 -4.7269 -4.5033 -4.5023 -1.3718 -1.3534 -0.8503 -0.8093 -0.6092 -0.5735 -0.5721 -0.5530 -0.5034 -0.4446 -0.4027 -0.3729 -0.2827 -0.2621 -0.2519 -0.2273 -0.2001 -0.1848 -0.1793 -0.1471 -0.1254 -0.0627 -0.0440 -0.0190 1.0214 1.0658 2.0735 2.1326 2.1978 2.2251 3.3081 3.3183 3.9551 3.9940 4.3458 4.3944 4.5339 4.6160 4.7135 4.7376 5.4222 5.4477 5.9125 5.9228 8.3495 8.3744 8.4990 8.5196 8.7989 8.8108 9.5450 9.5776 10.0802 10.1260 k = 0.0000 0.0000 0.6391 ( 5890 PWs) bands (ev): -5.9869 -5.9859 -5.1775 -5.1761 -4.7351 -4.7344 -4.5232 -4.5222 -1.3354 -1.3146 -0.8628 -0.8209 -0.6089 -0.5759 -0.5707 -0.5537 -0.5054 -0.4431 -0.4096 -0.3746 -0.2827 -0.2622 -0.2559 -0.2269 -0.1987 -0.1846 -0.1816 -0.1494 -0.1301 -0.0671 -0.0534 -0.0282 1.0097 1.0550 2.0848 2.1060 2.1235 2.1735 3.2898 3.2925 4.0285 4.0645 4.4629 4.5179 4.5654 4.6475 4.7286 4.7565 5.4664 5.4918 5.8981 5.9084 8.2831 8.3055 8.4338 8.4538 8.8188 8.8307 9.4919 9.5255 10.0832 10.1291 k = 0.0000 0.0000 0.6604 ( 5892 PWs) bands (ev): -5.9428 -5.9418 -5.2135 -5.2121 -4.7409 -4.7401 -4.5436 -4.5425 -1.2998 -1.2765 -0.8760 -0.8330 -0.6085 -0.5784 -0.5694 -0.5543 -0.5068 -0.4413 -0.4170 -0.3767 -0.2827 -0.2619 -0.2596 -0.2268 -0.1972 -0.1843 -0.1836 -0.1514 -0.1344 -0.0718 -0.0625 -0.0369 1.0039 1.0502 1.9819 2.0174 2.1503 2.2119 3.2535 3.2587 4.0956 4.1270 4.5675 4.6089 4.6415 4.6997 4.7439 4.7808 5.5086 5.5339 5.8850 5.8949 8.2042 8.2235 8.3580 8.3775 8.8483 8.8589 9.4435 9.4769 10.0871 10.1329 k = 0.0000 0.0000 0.6817 ( 5880 PWs) bands (ev): -5.8986 -5.8976 -5.2496 -5.2481 -4.7447 -4.7439 -4.5640 -4.5630 -1.2653 -1.2394 -0.8898 -0.8460 -0.6080 -0.5808 -0.5681 -0.5550 -0.5074 -0.4394 -0.4246 -0.3792 -0.2827 -0.2629 -0.2610 -0.2269 -0.1959 -0.1852 -0.1837 -0.1529 -0.1383 -0.0765 -0.0716 -0.0453 1.0043 1.0516 1.8815 1.9191 2.1945 2.2553 3.2040 3.2170 4.1561 4.1824 4.6411 4.6552 4.7517 4.7694 4.7765 4.8268 5.5486 5.5740 5.8732 5.8821 8.1181 8.1344 8.2731 8.2923 8.8830 8.8917 9.4003 9.4324 10.0917 10.1374 k = 0.0000 0.0000 0.7030 ( 5878 PWs) bands (ev): -5.8545 -5.8533 -5.2860 -5.2845 -4.7467 -4.7459 -4.5844 -4.5833 -1.2318 -1.2033 -0.9044 -0.8598 -0.6073 -0.5832 -0.5669 -0.5557 -0.5072 -0.4371 -0.4325 -0.3822 -0.2827 -0.2659 -0.2597 -0.2274 -0.1947 -0.1866 -0.1828 -0.1542 -0.1416 -0.0810 -0.0804 -0.0534 1.0112 1.0595 1.7851 1.8247 2.2427 2.3026 3.1466 3.1668 4.2110 4.2323 4.6714 4.6777 4.8190 4.8522 4.8756 4.9042 5.5863 5.6118 5.8626 5.8698 8.0293 8.0430 8.1817 8.2008 8.9200 8.9266 9.3619 9.3921 10.0966 10.1423 k = 0.0000 0.0000 0.7243 ( 5870 PWs) bands (ev): -5.8104 -5.8092 -5.3227 -5.3212 -4.7467 -4.7458 -4.6044 -4.6033 -1.1996 -1.1685 -0.9198 -0.8747 -0.6065 -0.5856 -0.5657 -0.5563 -0.5062 -0.4405 -0.4345 -0.3856 -0.2826 -0.2685 -0.2578 -0.2281 -0.1939 -0.1875 -0.1817 -0.1554 -0.1439 -0.0889 -0.0850 -0.0610 1.0249 1.0739 1.6930 1.7345 2.2945 2.3534 3.0836 3.1100 4.2620 4.2789 4.6743 4.6775 4.8965 4.9410 4.9792 4.9964 5.6213 5.6473 5.8532 5.8578 7.9419 7.9536 8.0871 8.1060 8.9578 8.9624 9.3278 9.3555 10.1017 10.1472 k = 0.0000 0.0000 0.7456 ( 5890 PWs) bands (ev): -5.7666 -5.7654 -5.3598 -5.3584 -4.7447 -4.7438 -4.6239 -4.6228 -1.1686 -1.1351 -0.9362 -0.8907 -0.6056 -0.5880 -0.5647 -0.5570 -0.5044 -0.4485 -0.4316 -0.3895 -0.2825 -0.2708 -0.2556 -0.2292 -0.1934 -0.1882 -0.1803 -0.1572 -0.1449 -0.0972 -0.0885 -0.0682 1.0453 1.0950 1.6056 1.6488 2.3498 2.4075 3.0168 3.0485 4.3103 4.3234 4.6639 4.6654 4.9802 5.0297 5.0725 5.0874 5.6538 5.6803 5.8448 5.8458 7.8601 7.8705 7.9929 8.0115 8.9956 8.9979 9.2969 9.3218 10.1067 10.1519 k = 0.0000 0.0000 0.7669 ( 5876 PWs) bands (ev): -5.7232 -5.7219 -5.3975 -5.3961 -4.7407 -4.7397 -4.6425 -4.6414 -1.1391 -1.1031 -0.9536 -0.9080 -0.6044 -0.5903 -0.5636 -0.5576 -0.5019 -0.4563 -0.4283 -0.3937 -0.2821 -0.2728 -0.2528 -0.2306 -0.1931 -0.1888 -0.1786 -0.1594 -0.1444 -0.1051 -0.0910 -0.0746 1.0726 1.1228 1.5231 1.5680 2.4081 2.4645 2.9476 2.9840 4.3565 4.3665 4.6455 4.6461 5.0618 5.1137 5.1516 5.1689 5.6835 5.7107 5.8335 5.8370 7.7881 7.7979 7.9034 7.9214 9.0326 9.0326 9.2682 9.2902 10.1115 10.1564 k = 0.0000 0.0000 0.7883 ( 5878 PWs) bands (ev): -5.6802 -5.6789 -5.4358 -5.4344 -4.7347 -4.7337 -4.6602 -4.6591 -1.1109 -1.0728 -0.9722 -0.9266 -0.6032 -0.5925 -0.5627 -0.5583 -0.4985 -0.4639 -0.4247 -0.3982 -0.2815 -0.2745 -0.2498 -0.2324 -0.1928 -0.1893 -0.1767 -0.1619 -0.1425 -0.1125 -0.0927 -0.0803 1.1066 1.1570 1.4459 1.4922 2.4693 2.5242 2.8772 2.9175 4.4010 4.4085 4.6213 4.6214 5.1357 5.1882 5.2131 5.2357 5.7104 5.7382 5.8205 5.8296 7.7303 7.7401 7.8228 7.8400 9.0661 9.0685 9.2407 9.2597 10.1162 10.1509 k = 0.0000 0.0000 0.8096 ( 5870 PWs) bands (ev): -5.6378 -5.6364 -5.4748 -5.4734 -4.7267 -4.7257 -4.6766 -4.6755 -1.0842 -1.0441 -0.9919 -0.9468 -0.6017 -0.5946 -0.5619 -0.5589 -0.4944 -0.4711 -0.4207 -0.4028 -0.2808 -0.2761 -0.2466 -0.2346 -0.1924 -0.1899 -0.1746 -0.1646 -0.1396 -0.1193 -0.0934 -0.0850 1.1474 1.1977 1.3742 1.4218 2.5330 2.5862 2.8065 2.8501 4.4438 4.4492 4.5921 4.5930 5.1972 5.2488 5.2540 5.2836 5.7345 5.7624 5.8066 5.8215 7.6908 7.7012 7.7557 7.7717 9.0982 9.1032 9.2136 9.2297 10.1208 10.1430 k = 0.0000 0.0000 0.8309 ( 5882 PWs) bands (ev): -5.5960 -5.5946 -5.5145 -5.5131 -4.7168 -4.7158 -4.6917 -4.6906 -1.0590 -1.0172 -1.0129 -0.9686 -0.6002 -0.5966 -0.5611 -0.5596 -0.4896 -0.4779 -0.4165 -0.4075 -0.2799 -0.2775 -0.2433 -0.2372 -0.1920 -0.1907 -0.1724 -0.1673 -0.1357 -0.1255 -0.0929 -0.0887 1.1947 1.2447 1.3083 1.3570 2.5990 2.6502 2.7362 2.7827 4.4846 4.4885 4.5593 4.5609 5.2425 5.2726 5.2912 5.3097 5.7558 5.7829 5.7915 5.8118 7.6727 7.6843 7.7062 7.7208 9.1289 9.1365 9.1863 9.1994 10.1254 10.1362 k = 0.0000 0.0000 0.8522 ( 5892 PWs) bands (ev): -5.5549 -5.5549 -5.5535 -5.5535 -4.7051 -4.7051 -4.7040 -4.7040 -1.0353 -1.0353 -0.9921 -0.9921 -0.5984 -0.5984 -0.5603 -0.5603 -0.4841 -0.4841 -0.4121 -0.4121 -0.2788 -0.2788 -0.2402 -0.2402 -0.1914 -0.1914 -0.1699 -0.1699 -0.1310 -0.1310 -0.0914 -0.0914 1.2484 1.2484 1.2979 1.2979 2.6669 2.6669 2.7159 2.7159 4.5233 4.5233 4.5259 4.5259 5.2684 5.2684 5.3122 5.3122 5.7747 5.7747 5.7993 5.7993 7.6779 7.6779 7.6909 7.6909 9.1582 9.1582 9.1685 9.1685 10.1305 10.1305 k = 0.0000 0.0000 0.8522 ( 5892 PWs) bands (ev): -5.5549 -5.5549 -5.5535 -5.5535 -4.7051 -4.7051 -4.7040 -4.7040 -1.0353 -1.0353 -0.9921 -0.9921 -0.5984 -0.5984 -0.5603 -0.5603 -0.4841 -0.4841 -0.4121 -0.4121 -0.2788 -0.2788 -0.2402 -0.2402 -0.1914 -0.1914 -0.1699 -0.1699 -0.1310 -0.1310 -0.0914 -0.0914 1.2484 1.2484 1.2979 1.2979 2.6669 2.6669 2.7159 2.7159 4.5233 4.5233 4.5259 4.5259 5.2684 5.2684 5.3122 5.3122 5.7747 5.7747 5.7993 5.7993 7.6779 7.6779 7.6909 7.6909 9.1582 9.1582 9.1685 9.1685 10.1305 10.1305 k =-0.0119 0.0165 0.8522 ( 5880 PWs) bands (ev): -5.5550 -5.5550 -5.5536 -5.5536 -4.7054 -4.7054 -4.7043 -4.7043 -1.0350 -1.0350 -0.9919 -0.9919 -0.5987 -0.5987 -0.5598 -0.5598 -0.4846 -0.4846 -0.4107 -0.4107 -0.2790 -0.2790 -0.2394 -0.2394 -0.1932 -0.1932 -0.1680 -0.1680 -0.1301 -0.1301 -0.0898 -0.0898 1.2487 1.2487 1.2981 1.2981 2.6674 2.6674 2.7164 2.7164 4.5186 4.5186 4.5230 4.5230 5.2674 5.2674 5.3113 5.3113 5.7699 5.7699 5.7949 5.7949 7.6816 7.6816 7.6949 7.6949 9.1660 9.1660 9.1773 9.1773 10.1284 10.1284 k =-0.0239 0.0329 0.8522 ( 5868 PWs) bands (ev): -5.5554 -5.5554 -5.5540 -5.5540 -4.7061 -4.7061 -4.7050 -4.7050 -1.0343 -1.0343 -0.9914 -0.9914 -0.5994 -0.5994 -0.5586 -0.5586 -0.4859 -0.4859 -0.4068 -0.4068 -0.2795 -0.2795 -0.2372 -0.2372 -0.1973 -0.1973 -0.1642 -0.1642 -0.1268 -0.1268 -0.0853 -0.0853 1.2498 1.2498 1.2990 1.2990 2.6688 2.6688 2.7179 2.7179 4.5057 4.5057 4.5134 4.5134 5.2643 5.2643 5.3086 5.3086 5.7557 5.7557 5.7819 5.7819 7.6928 7.6928 7.7068 7.7068 9.1894 9.1894 9.2030 9.2030 10.1220 10.1220 k =-0.0358 0.0494 0.8522 ( 5862 PWs) bands (ev): -5.5562 -5.5562 -5.5548 -5.5548 -4.7073 -4.7073 -4.7062 -4.7062 -1.0332 -1.0332 -0.9905 -0.9905 -0.6004 -0.6004 -0.5569 -0.5569 -0.4874 -0.4874 -0.4011 -0.4011 -0.2802 -0.2802 -0.2340 -0.2340 -0.2019 -0.2019 -0.1610 -0.1610 -0.1202 -0.1202 -0.0778 -0.0778 1.2517 1.2517 1.3004 1.3004 2.6712 2.6712 2.7203 2.7203 4.4855 4.4855 4.4966 4.4966 5.2592 5.2592 5.3042 5.3042 5.7328 5.7328 5.7609 5.7609 7.7113 7.7113 7.7265 7.7265 9.2275 9.2275 9.2442 9.2442 10.1108 10.1108 k =-0.0477 0.0659 0.8522 ( 5872 PWs) bands (ev): -5.5573 -5.5573 -5.5559 -5.5559 -4.7088 -4.7088 -4.7077 -4.7077 -1.0316 -1.0316 -0.9895 -0.9895 -0.6016 -0.6016 -0.5552 -0.5552 -0.4885 -0.4885 -0.3943 -0.3943 -0.2808 -0.2808 -0.2303 -0.2303 -0.2059 -0.2059 -0.1594 -0.1594 -0.1098 -0.1098 -0.0673 -0.0673 1.2543 1.2543 1.3025 1.3025 2.6746 2.6746 2.7237 2.7237 4.4584 4.4584 4.4731 4.4731 5.2519 5.2519 5.2981 5.2981 5.7020 5.7020 5.7329 5.7329 7.7370 7.7370 7.7534 7.7534 9.2787 9.2787 9.2985 9.2985 10.0941 10.0941 k =-0.0597 0.0823 0.8522 ( 5876 PWs) bands (ev): -5.5588 -5.5588 -5.5574 -5.5574 -4.7105 -4.7105 -4.7094 -4.7094 -1.0298 -1.0298 -0.9882 -0.9882 -0.6027 -0.6027 -0.5539 -0.5539 -0.4887 -0.4887 -0.3870 -0.3870 -0.2811 -0.2811 -0.2271 -0.2271 -0.2087 -0.2087 -0.1590 -0.1590 -0.0957 -0.0957 -0.0539 -0.0539 1.2577 1.2577 1.3052 1.3052 2.6788 2.6788 2.7279 2.7279 4.4250 4.4250 4.4433 4.4433 5.2426 5.2426 5.2904 5.2904 5.6647 5.6647 5.6990 5.6990 7.7695 7.7695 7.7873 7.7873 9.3404 9.3404 9.3633 9.3633 10.0714 10.0714 k =-0.0716 0.0988 0.8522 ( 5886 PWs) bands (ev): -5.5607 -5.5607 -5.5593 -5.5593 -4.7123 -4.7123 -4.7112 -4.7112 -1.0277 -1.0277 -0.9868 -0.9868 -0.6037 -0.6037 -0.5532 -0.5532 -0.4877 -0.4877 -0.3799 -0.3799 -0.2809 -0.2809 -0.2257 -0.2257 -0.2091 -0.2091 -0.1594 -0.1594 -0.0784 -0.0784 -0.0375 -0.0375 1.2621 1.2621 1.3087 1.3087 2.6839 2.6839 2.7331 2.7331 4.3861 4.3861 4.4079 4.4079 5.2311 5.2311 5.2811 5.2811 5.6221 5.6221 5.6605 5.6605 7.8084 7.8084 7.8277 7.8277 9.4091 9.4091 9.4345 9.4345 10.0425 10.0425 k =-0.0835 0.1153 0.8522 ( 5884 PWs) bands (ev): -5.5633 -5.5633 -5.5619 -5.5619 -4.7139 -4.7139 -4.7128 -4.7128 -1.0255 -1.0255 -0.9853 -0.9853 -0.6045 -0.6045 -0.5533 -0.5533 -0.4855 -0.4855 -0.3733 -0.3733 -0.2802 -0.2802 -0.2267 -0.2267 -0.2068 -0.2068 -0.1602 -0.1602 -0.0582 -0.0582 -0.0182 -0.0182 1.2675 1.2675 1.3129 1.3129 2.6898 2.6898 2.7390 2.7390 4.3422 4.3422 4.3676 4.3676 5.2173 5.2173 5.2703 5.2703 5.5755 5.5755 5.6187 5.6187 7.8531 7.8531 7.8738 7.8738 9.4804 9.4804 9.5073 9.5073 10.0082 10.0082 k =-0.0955 0.1317 0.8522 ( 5884 PWs) bands (ev): -5.5664 -5.5664 -5.5651 -5.5651 -4.7152 -4.7152 -4.7141 -4.7141 -1.0232 -1.0232 -0.9838 -0.9838 -0.6051 -0.6051 -0.5540 -0.5540 -0.4824 -0.4824 -0.3676 -0.3676 -0.2790 -0.2790 -0.2289 -0.2289 -0.2032 -0.2032 -0.1611 -0.1611 -0.0354 -0.0354 0.0040 0.0040 1.2740 1.2740 1.3181 1.3181 2.6964 2.6964 2.7457 2.7457 4.2944 4.2944 4.3233 4.3233 5.2012 5.2012 5.2579 5.2579 5.5263 5.5263 5.5750 5.5750 7.9030 7.9030 7.9251 7.9251 9.5480 9.5480 9.5745 9.5745 9.9707 9.9707 k =-0.1074 0.1482 0.8522 ( 5892 PWs) bands (ev): -5.5703 -5.5703 -5.5690 -5.5690 -4.7160 -4.7160 -4.7149 -4.7149 -1.0210 -1.0210 -0.9823 -0.9823 -0.6055 -0.6055 -0.5552 -0.5552 -0.4787 -0.4787 -0.3628 -0.3628 -0.2771 -0.2771 -0.2315 -0.2315 -0.1993 -0.1993 -0.1621 -0.1621 -0.0101 -0.0101 0.0288 0.0288 1.2819 1.2819 1.3244 1.3244 2.7037 2.7037 2.7530 2.7530 4.2434 4.2434 4.2757 4.2757 5.1825 5.1825 5.2441 5.2441 5.4756 5.4756 5.5307 5.5307 7.9575 7.9575 7.9808 7.9808 9.6027 9.6027 9.6263 9.6263 9.9348 9.9348 k =-0.1193 0.1647 0.8522 ( 5892 PWs) bands (ev): -5.5751 -5.5751 -5.5737 -5.5737 -4.7161 -4.7161 -4.7150 -4.7150 -1.0189 -1.0189 -0.9810 -0.9810 -0.6056 -0.6056 -0.5567 -0.5567 -0.4746 -0.4746 -0.3591 -0.3591 -0.2748 -0.2748 -0.2341 -0.2341 -0.1955 -0.1955 -0.1630 -0.1630 0.0172 0.0172 0.0557 0.0557 1.2913 1.2913 1.3319 1.3319 2.7116 2.7116 2.7608 2.7608 4.1902 4.1902 4.2259 4.2259 5.1612 5.1612 5.2287 5.2287 5.4248 5.4248 5.4869 5.4869 8.0156 8.0156 8.0401 8.0401 9.6315 9.6315 9.6509 9.6509 9.9087 9.9087 k =-0.1313 0.1811 0.8522 ( 5896 PWs) bands (ev): -5.5807 -5.5807 -5.5793 -5.5793 -4.7153 -4.7153 -4.7141 -4.7141 -1.0169 -1.0169 -0.9798 -0.9798 -0.6056 -0.6056 -0.5583 -0.5583 -0.4705 -0.4705 -0.3563 -0.3563 -0.2721 -0.2721 -0.2366 -0.2366 -0.1920 -0.1920 -0.1637 -0.1637 0.0459 0.0459 0.0842 0.0842 1.3025 1.3025 1.3410 1.3410 2.7200 2.7200 2.7691 2.7691 4.1359 4.1359 4.1746 4.1746 5.1371 5.1371 5.2113 5.2113 5.3751 5.3751 5.4446 5.4446 8.0764 8.0764 8.1020 8.1020 9.6228 9.6228 9.6419 9.6419 9.8984 9.8984 k =-0.1313 0.1811 0.8522 ( 5896 PWs) bands (ev): -5.5807 -5.5807 -5.5793 -5.5793 -4.7153 -4.7153 -4.7141 -4.7141 -1.0169 -1.0169 -0.9798 -0.9798 -0.6056 -0.6056 -0.5583 -0.5583 -0.4705 -0.4705 -0.3563 -0.3563 -0.2721 -0.2721 -0.2366 -0.2366 -0.1920 -0.1920 -0.1637 -0.1637 0.0459 0.0459 0.0842 0.0842 1.3025 1.3025 1.3410 1.3410 2.7200 2.7200 2.7691 2.7691 4.1359 4.1359 4.1746 4.1746 5.1371 5.1371 5.2113 5.2113 5.3751 5.3751 5.4446 5.4446 8.0764 8.0764 8.1020 8.1020 9.6228 9.6228 9.6419 9.6419 9.8984 9.8984 k =-0.1400 0.1933 0.8372 ( 5894 PWs) bands (ev): -5.6069 -5.6056 -5.5642 -5.5629 -4.7282 -4.7270 -4.6990 -4.6979 -1.0280 -1.0051 -0.9903 -0.9672 -0.6059 -0.6051 -0.5617 -0.5572 -0.4709 -0.4643 -0.3560 -0.3536 -0.2710 -0.2690 -0.2397 -0.2368 -0.1903 -0.1895 -0.1655 -0.1627 0.0597 0.0686 0.1068 0.1125 1.2859 1.3221 1.3417 1.3785 2.6833 2.7340 2.7697 2.8169 4.0718 4.1094 4.1231 4.1577 5.0958 5.1092 5.1946 5.2001 5.3229 5.3351 5.4249 5.4410 8.1194 8.1318 8.1446 8.1592 9.5693 9.5882 9.6232 9.6411 9.8867 9.9096 k =-0.1488 0.2054 0.8222 ( 5890 PWs) bands (ev): -5.6323 -5.6310 -5.5502 -5.5489 -4.7408 -4.7397 -4.6803 -4.6792 -1.0393 -1.0071 -0.9884 -0.9561 -0.6062 -0.6045 -0.5649 -0.5558 -0.4715 -0.4586 -0.3562 -0.3513 -0.2699 -0.2657 -0.2426 -0.2368 -0.1889 -0.1874 -0.1667 -0.1617 0.0672 0.0834 0.1388 0.1478 1.2771 1.3106 1.3820 1.4170 2.6487 2.7008 2.8181 2.8630 4.0076 4.0505 4.1018 4.1391 5.0352 5.0528 5.1645 5.1726 5.2835 5.2896 5.4334 5.4529 8.1699 8.1916 8.1949 8.2211 9.4946 9.5169 9.6196 9.6386 9.8726 9.9199 k =-0.1576 0.2175 0.8073 ( 5885 PWs) bands (ev): -5.6568 -5.6556 -5.5386 -5.5373 -4.7532 -4.7521 -4.6594 -4.6582 -1.0506 -1.0183 -0.9786 -0.9464 -0.6066 -0.6038 -0.5679 -0.5542 -0.4721 -0.4535 -0.3568 -0.3493 -0.2691 -0.2624 -0.2452 -0.2365 -0.1881 -0.1857 -0.1672 -0.1607 0.0702 0.0918 0.1778 0.1880 1.2764 1.3069 1.4232 1.4564 2.6162 2.6694 2.8645 2.9067 3.9444 3.9897 4.0812 4.1183 4.9642 4.9823 5.0983 5.1168 5.2693 5.2733 5.4503 5.4700 8.2263 8.2506 8.2542 8.2856 9.4086 9.4328 9.6173 9.6366 9.8494 9.9007 k =-0.1664 0.2296 0.7923 ( 5886 PWs) bands (ev): -5.6804 -5.6792 -5.5292 -5.5280 -4.7652 -4.7642 -4.6364 -4.6353 -1.0620 -1.0305 -0.9691 -0.9379 -0.6069 -0.6032 -0.5705 -0.5524 -0.4730 -0.4490 -0.3577 -0.3477 -0.2684 -0.2592 -0.2474 -0.2359 -0.1880 -0.1843 -0.1669 -0.1597 0.0693 0.0955 0.2213 0.2317 1.2840 1.3110 1.4650 1.4963 2.5858 2.6400 2.9081 2.9470 3.8834 3.9299 4.0591 4.0954 4.8873 4.9053 5.0164 5.0398 5.2682 5.2740 5.4699 5.4890 8.2864 8.3103 8.3168 8.3506 9.3176 9.3422 9.6176 9.6367 9.8166 9.8663 k =-0.1752 0.2417 0.7773 ( 5879 PWs) bands (ev): -5.7029 -5.7017 -5.5219 -5.5207 -4.7769 -4.7759 -4.6117 -4.6106 -1.0733 -1.0428 -0.9606 -0.9307 -0.6072 -0.6026 -0.5728 -0.5504 -0.4739 -0.4452 -0.3587 -0.3464 -0.2680 -0.2564 -0.2491 -0.2351 -0.1884 -0.1833 -0.1659 -0.1587 0.0651 0.0955 0.2680 0.2783 1.2997 1.3230 1.5073 1.5365 2.5578 2.6127 2.9478 2.9828 3.8252 3.8720 4.0355 4.0700 4.8072 4.8249 4.9296 4.9556 5.2721 5.2781 5.4904 5.5089 8.3469 8.3692 8.3796 8.4144 9.2264 9.2501 9.6213 9.6403 9.7758 9.8234 k =-0.1839 0.2538 0.7624 ( 5885 PWs) bands (ev): -5.7244 -5.7232 -5.5164 -5.5153 -4.7882 -4.7871 -4.5856 -4.5846 -1.0847 -1.0551 -0.9529 -0.9245 -0.6075 -0.6020 -0.5747 -0.5482 -0.4751 -0.4420 -0.3598 -0.3455 -0.2680 -0.2542 -0.2501 -0.2340 -0.1891 -0.1825 -0.1644 -0.1576 0.0579 0.0921 0.3171 0.3272 1.3231 1.3424 1.5498 1.5768 2.5322 2.5876 2.9827 3.0129 3.7708 3.8165 4.0098 4.0418 4.7257 4.7435 4.8425 4.8701 5.2771 5.2827 5.5113 5.5292 8.4014 8.4208 8.4439 8.4769 9.1401 9.1616 9.6275 9.6476 9.7311 9.7757 k =-0.1927 0.2660 0.7474 ( 5881 PWs) bands (ev): -5.7447 -5.7435 -5.5125 -5.5115 -4.7990 -4.7980 -4.5587 -4.5576 -1.0960 -1.0675 -0.9460 -0.9193 -0.6079 -0.6016 -0.5762 -0.5458 -0.4763 -0.4393 -0.3609 -0.3449 -0.2685 -0.2536 -0.2495 -0.2326 -0.1900 -0.1819 -0.1626 -0.1564 0.0482 0.0858 0.3679 0.3778 1.3535 1.3690 1.5923 1.6171 2.5090 2.5647 3.0116 3.0363 3.7208 3.7638 3.9819 4.0104 4.6443 4.6624 4.7580 4.7869 5.2816 5.2872 5.5321 5.5495 8.4405 8.4582 8.5094 8.5401 9.0647 9.0827 9.6252 9.6539 9.6949 9.7330 k =-0.2015 0.2781 0.7325 ( 5883 PWs) bands (ev): -5.7638 -5.7627 -5.5100 -5.5090 -4.8093 -4.8083 -4.5312 -4.5301 -1.1072 -1.0798 -0.9400 -0.9149 -0.6082 -0.6013 -0.5774 -0.5433 -0.4776 -0.4373 -0.3619 -0.3446 -0.2695 -0.2538 -0.2479 -0.2309 -0.1909 -0.1815 -0.1607 -0.1550 0.0365 0.0771 0.4199 0.4296 1.3902 1.4019 1.6346 1.6571 2.4883 2.5439 3.0334 3.0521 3.6754 3.7140 3.9511 3.9752 4.5647 4.5831 4.6788 4.7083 5.2855 5.2910 5.5528 5.5698 8.4562 8.4722 8.5754 8.6050 9.0068 9.0206 9.5912 9.6289 9.6988 9.7236 k =-0.2103 0.2902 0.7175 ( 5881 PWs) bands (ev): -5.7817 -5.7806 -5.5087 -5.5077 -4.8190 -4.8180 -4.5037 -4.5026 -1.1183 -1.0919 -0.9345 -0.9112 -0.6086 -0.6010 -0.5783 -0.5405 -0.4790 -0.4357 -0.3628 -0.3447 -0.2709 -0.2541 -0.2463 -0.2289 -0.1917 -0.1813 -0.1590 -0.1531 0.0235 0.0665 0.4723 0.4819 1.4322 1.4406 1.6764 1.6966 2.4701 2.5255 3.0472 3.0603 3.6342 3.6666 3.9166 3.9358 4.4884 4.5074 4.6068 4.6366 5.2884 5.2940 5.5732 5.5900 8.4438 8.4574 8.6400 8.6700 8.9700 8.9828 9.5394 9.5767 9.7296 9.7481 k =-0.2190 0.3023 0.7025 ( 5887 PWs) bands (ev): -5.7983 -5.7972 -5.5083 -5.5073 -4.8282 -4.8271 -4.4764 -4.4753 -1.1290 -1.1038 -0.9297 -0.9082 -0.6090 -0.6008 -0.5790 -0.5377 -0.4804 -0.4345 -0.3636 -0.3450 -0.2729 -0.2541 -0.2450 -0.2266 -0.1925 -0.1811 -0.1577 -0.1506 0.0097 0.0544 0.5246 0.5342 1.4782 1.4844 1.7174 1.7354 2.4544 2.5092 3.0514 3.0625 3.5959 3.6206 3.8775 3.8920 4.4174 4.4369 4.5436 4.5737 5.2904 5.2963 5.5934 5.6100 8.4042 8.4163 8.7012 8.7329 8.9529 8.9694 9.4845 9.5192 9.7726 9.7887 k =-0.2278 0.3144 0.6876 ( 5890 PWs) bands (ev): -5.8136 -5.8125 -5.5085 -5.5076 -4.8366 -4.8356 -4.4500 -4.4489 -1.1395 -1.1153 -0.9254 -0.9057 -0.6093 -0.6006 -0.5796 -0.5346 -0.4819 -0.4338 -0.3643 -0.3457 -0.2751 -0.2541 -0.2440 -0.2239 -0.1931 -0.1810 -0.1568 -0.1476 -0.0045 0.0414 0.5762 0.5857 1.5263 1.5331 1.7575 1.7734 2.4414 2.4951 3.0459 3.0608 3.5581 3.5751 3.8326 3.8444 4.3534 4.3740 4.4900 4.5206 5.2917 5.2978 5.6132 5.6298 8.3452 8.3569 8.7569 8.7915 8.9515 8.9723 9.4306 9.4622 9.8251 9.8401 k =-0.2366 0.3265 0.6726 ( 5889 PWs) bands (ev): -5.8275 -5.8265 -5.5093 -5.5084 -4.8444 -4.8434 -4.4246 -4.4235 -1.1494 -1.1263 -0.9216 -0.9037 -0.6096 -0.6004 -0.5801 -0.5314 -0.4834 -0.4335 -0.3648 -0.3466 -0.2777 -0.2540 -0.2432 -0.2208 -0.1935 -0.1810 -0.1560 -0.1443 -0.0185 0.0279 0.6262 0.6357 1.5758 1.5852 1.7962 1.8105 2.4308 2.4831 3.0338 3.0552 3.5169 3.5302 3.7814 3.7940 4.2977 4.3203 4.4465 4.4777 5.2922 5.2986 5.6324 5.6492 8.2762 8.2876 8.8048 8.8434 8.9603 8.9840 9.3798 9.4080 9.8855 9.9001 k =-0.2454 0.3387 0.6576 ( 5883 PWs) bands (ev): -5.8401 -5.8390 -5.5104 -5.5096 -4.8515 -4.8505 -4.4008 -4.3997 -1.1588 -1.1368 -0.9182 -0.9022 -0.6099 -0.6001 -0.5807 -0.5281 -0.4849 -0.4334 -0.3652 -0.3478 -0.2804 -0.2539 -0.2427 -0.2174 -0.1937 -0.1809 -0.1555 -0.1407 -0.0320 0.0144 0.6741 0.6835 1.6258 1.6390 1.8333 1.8464 2.4229 2.4732 3.0181 3.0465 3.4686 3.4862 3.7256 3.7416 4.2509 4.2766 4.4129 4.4449 5.2922 5.2987 5.6511 5.6681 8.2043 8.2150 8.8425 8.8850 8.9767 9.0013 9.3335 9.3580 9.9520 9.9667 k =-0.2542 0.3508 0.6427 ( 5885 PWs) bands (ev): -5.8512 -5.8502 -5.5117 -5.5109 -4.8578 -4.8568 -4.3789 -4.3778 -1.1676 -1.1464 -0.9152 -0.9010 -0.6102 -0.5997 -0.5813 -0.5247 -0.4864 -0.4337 -0.3655 -0.3492 -0.2832 -0.2538 -0.2423 -0.2138 -0.1939 -0.1809 -0.1550 -0.1369 -0.0446 0.0012 0.7190 0.7283 1.6754 1.6925 1.8683 1.8808 2.4176 2.4653 3.0016 3.0364 3.4143 3.4403 3.6677 3.6885 4.2126 4.2425 4.3884 4.4212 5.2917 5.2984 5.6688 5.6863 8.1339 8.1437 8.8691 8.9128 9.0001 9.0229 9.2926 9.3132 10.0225 10.0377 k =-0.2629 0.3629 0.6277 ( 5885 PWs) bands (ev): -5.8609 -5.8599 -5.5131 -5.5123 -4.8634 -4.8624 -4.3592 -4.3580 -1.1754 -1.1552 -0.9126 -0.9003 -0.6104 -0.5992 -0.5819 -0.5212 -0.4879 -0.4341 -0.3656 -0.3509 -0.2859 -0.2537 -0.2421 -0.2101 -0.1940 -0.1808 -0.1547 -0.1330 -0.0562 -0.0115 0.7600 0.7693 1.7230 1.7443 1.9007 1.9134 2.4149 2.4592 2.9864 3.0270 3.3560 3.3908 3.6107 3.6368 4.1820 4.2168 4.3717 4.4054 5.2909 5.2978 5.6853 5.7032 8.0682 8.0768 8.8853 8.9273 9.0280 9.0470 9.2576 9.2744 10.0948 10.1105 k =-0.2717 0.3750 0.6127 ( 5895 PWs) bands (ev): -5.8691 -5.8681 -5.5145 -5.5137 -4.8681 -4.8671 -4.3420 -4.3408 -1.1824 -1.1630 -0.9102 -0.8998 -0.6106 -0.5987 -0.5826 -0.5178 -0.4896 -0.4346 -0.3656 -0.3527 -0.2884 -0.2537 -0.2420 -0.2063 -0.1940 -0.1807 -0.1544 -0.1291 -0.0663 -0.0234 0.7965 0.8057 1.7672 1.7925 1.9300 1.9433 2.4149 2.4549 2.9745 3.0204 3.2953 3.3380 3.5576 3.5889 4.1580 4.1979 4.3613 4.3959 5.2900 5.2969 5.7003 5.7187 8.0093 8.0165 8.8938 8.9327 9.0557 9.0712 9.2286 9.2419 10.1661 10.1824 k =-0.2805 0.3871 0.5978 ( 5897 PWs) bands (ev): -5.8759 -5.8749 -5.5157 -5.5149 -4.8720 -4.8710 -4.3275 -4.3264 -1.1882 -1.1695 -0.9082 -0.8996 -0.6108 -0.5981 -0.5834 -0.5143 -0.4912 -0.4352 -0.3654 -0.3545 -0.2906 -0.2537 -0.2419 -0.2028 -0.1939 -0.1804 -0.1542 -0.1255 -0.0748 -0.0341 0.8277 0.8367 1.8064 1.8352 1.9557 1.9697 2.4174 2.4520 2.9677 3.0183 3.2343 3.2833 3.5107 3.5468 4.1397 4.1841 4.3554 4.3911 5.2890 5.2960 5.7133 5.7323 7.9590 7.9647 8.8972 8.9331 9.0798 9.0936 9.2054 9.2159 10.2335 10.2504 k =-0.2893 0.3993 0.5828 ( 5896 PWs) bands (ev): -5.8812 -5.8802 -5.5167 -5.5160 -4.8751 -4.8741 -4.3160 -4.3149 -1.1929 -1.1747 -0.9065 -0.8996 -0.6109 -0.5976 -0.5842 -0.5111 -0.4930 -0.4358 -0.3651 -0.3562 -0.2923 -0.2537 -0.2418 -0.1997 -0.1939 -0.1801 -0.1540 -0.1224 -0.0813 -0.0434 0.8528 0.8617 1.8388 1.8708 1.9768 1.9914 2.4220 2.4501 2.9677 3.0224 3.1756 3.2292 3.4723 3.5123 4.1261 4.1744 4.3526 4.3892 5.2881 5.2951 5.7240 5.7435 7.9185 7.9228 8.8977 8.9308 9.0994 9.1129 9.1871 9.1961 10.2936 10.3111 k =-0.2981 0.4114 0.5679 ( 5897 PWs) bands (ev): -5.8849 -5.8840 -5.5174 -5.5168 -4.8773 -4.8763 -4.3077 -4.3065 -1.1963 -1.1785 -0.9051 -0.8998 -0.6110 -0.5970 -0.5848 -0.5080 -0.4949 -0.4363 -0.3646 -0.3577 -0.2937 -0.2537 -0.2418 -0.1972 -0.1939 -0.1797 -0.1539 -0.1201 -0.0855 -0.0510 0.8712 0.8800 1.8633 1.8975 1.9925 2.0076 2.4278 2.4485 2.9756 3.0335 3.1226 3.1781 3.4438 3.4866 4.1168 4.1679 4.3516 4.3889 5.2874 5.2943 5.7320 5.7518 7.8889 7.8919 8.8968 8.9279 9.1144 9.1283 9.1730 9.1818 10.3421 10.3605 k =-0.3068 0.4235 0.5529 ( 5893 PWs) bands (ev): -5.8872 -5.8862 -5.5179 -5.5172 -4.8786 -4.8776 -4.3026 -4.3015 -1.1984 -1.1809 -0.9041 -0.9001 -0.6110 -0.5967 -0.5852 -0.5056 -0.4966 -0.4366 -0.3642 -0.3588 -0.2945 -0.2537 -0.2418 -0.1955 -0.1941 -0.1794 -0.1539 -0.1189 -0.0874 -0.0560 0.8825 0.8912 1.8785 1.9142 2.0022 2.0174 2.4335 2.4467 2.9913 3.0475 3.0831 3.1333 3.4263 3.4708 4.1114 4.1642 4.3514 4.3892 5.2869 5.2938 5.7369 5.7570 7.8710 7.8729 8.8958 8.9256 9.1247 9.1392 9.1632 9.1721 10.3742 10.3936 k =-0.3156 0.4356 0.5379 ( 5891 PWs) bands (ev): -5.8880 -5.8870 -5.5181 -5.5174 -4.8790 -4.8780 -4.3009 -4.2998 -1.1991 -1.1816 -0.9038 -0.9002 -0.6110 -0.5965 -0.5854 -0.5045 -0.4974 -0.4368 -0.3640 -0.3593 -0.2947 -0.2537 -0.2417 -0.1946 -0.1944 -0.1792 -0.1538 -0.1185 -0.0880 -0.0578 0.8863 0.8949 1.8836 1.9199 2.0055 2.0206 2.4363 2.4454 3.0049 3.0425 3.0835 3.1057 3.4204 3.4654 4.1096 4.1630 4.3514 4.3893 5.2868 5.2937 5.7386 5.7588 7.8651 7.8664 8.8954 8.9247 9.1290 9.1435 9.1597 9.1678 10.3856 10.4055 k =-0.3156 0.4356 0.5379 ( 5891 PWs) bands (ev): -5.8880 -5.8870 -5.5181 -5.5174 -4.8790 -4.8780 -4.3009 -4.2998 -1.1991 -1.1816 -0.9038 -0.9002 -0.6110 -0.5965 -0.5854 -0.5045 -0.4974 -0.4368 -0.3640 -0.3593 -0.2947 -0.2537 -0.2417 -0.1946 -0.1944 -0.1792 -0.1538 -0.1185 -0.0880 -0.0578 0.8863 0.8949 1.8836 1.9199 2.0055 2.0206 2.4363 2.4454 3.0049 3.0425 3.0835 3.1057 3.4204 3.4654 4.1096 4.1630 4.3514 4.3893 5.2868 5.2937 5.7386 5.7588 7.8651 7.8664 8.8954 8.9247 9.1290 9.1435 9.1597 9.1678 10.3856 10.4055 k =-0.3069 0.4235 0.5230 ( 5895 PWs) bands (ev): -5.9064 -5.9054 -5.4836 -5.4828 -4.8896 -4.8886 -4.2992 -4.2980 -1.2185 -1.2030 -0.8957 -0.8923 -0.6126 -0.5985 -0.5856 -0.5035 -0.5014 -0.4346 -0.3647 -0.3593 -0.2932 -0.2538 -0.2445 -0.1958 -0.1952 -0.1797 -0.1517 -0.1163 -0.0844 -0.0600 0.8962 0.9074 1.8700 1.9011 2.0548 2.0678 2.4074 2.4192 2.9715 3.0088 3.0682 3.0854 3.3481 3.3952 4.1313 4.1615 4.3719 4.3893 5.3072 5.3121 5.7551 5.7744 7.8997 7.9028 8.9111 8.9364 9.1193 9.1332 9.2357 9.2431 10.4989 10.5206 k =-0.2981 0.4114 0.5080 ( 5891 PWs) bands (ev): -5.9281 -5.9272 -5.4478 -5.4471 -4.8955 -4.8946 -4.2974 -4.2962 -1.2399 -1.2264 -0.8877 -0.8843 -0.6142 -0.6003 -0.5854 -0.5100 -0.4985 -0.4326 -0.3657 -0.3596 -0.2918 -0.2535 -0.2477 -0.1976 -0.1962 -0.1789 -0.1497 -0.1139 -0.0802 -0.0618 0.8953 0.9090 1.8576 1.8829 2.1187 2.1291 2.3805 2.3948 2.9395 2.9764 3.0494 3.0620 3.2765 3.3257 4.1517 4.1594 4.4003 4.4032 5.3216 5.3244 5.7667 5.7851 7.9345 7.9397 8.9219 8.9426 9.1038 9.1161 9.3097 9.3163 10.6206 10.6440 k =-0.2893 0.3993 0.4931 ( 5907 PWs) bands (ev): -5.9531 -5.9521 -5.4110 -5.4102 -4.8969 -4.8959 -4.2958 -4.2946 -1.2632 -1.2517 -0.8796 -0.8762 -0.6158 -0.6019 -0.5849 -0.5166 -0.4960 -0.4306 -0.3667 -0.3602 -0.2906 -0.2528 -0.2509 -0.1999 -0.1974 -0.1772 -0.1481 -0.1112 -0.0755 -0.0634 0.8851 0.9012 1.8462 1.8652 2.1952 2.2022 2.3570 2.3727 2.9097 2.9470 3.0260 3.0354 3.2061 3.2573 4.1595 4.1706 4.4218 4.4422 5.3297 5.3301 5.7731 5.7906 7.9692 7.9766 8.9301 8.9456 9.0870 9.0971 9.3808 9.3868 10.7462 10.7721 k =-0.2806 0.3872 0.4782 ( 5917 PWs) bands (ev): -5.9809 -5.9800 -5.3731 -5.3722 -4.8938 -4.8929 -4.2943 -4.2930 -1.2885 -1.2789 -0.8715 -0.8679 -0.6174 -0.6032 -0.5841 -0.5231 -0.4939 -0.4285 -0.3676 -0.3611 -0.2899 -0.2539 -0.2518 -0.2024 -0.1988 -0.1748 -0.1469 -0.1083 -0.0705 -0.0649 0.8673 0.8856 1.8353 1.8479 2.2802 2.2815 2.3423 2.3539 2.8824 2.9208 2.9986 3.0060 3.1369 3.1904 4.1631 4.1884 4.4525 4.4867 5.3289 5.3309 5.7743 5.7911 8.0034 8.0130 8.9379 8.9479 9.0717 9.0792 9.4486 9.4542 10.8677 10.9005 k =-0.2718 0.3751 0.4632 ( 5913 PWs) bands (ev): -6.0112 -6.0103 -5.3341 -5.3333 -4.8868 -4.8859 -4.2929 -4.2916 -1.3157 -1.3078 -0.8633 -0.8595 -0.6190 -0.6042 -0.5830 -0.5292 -0.4922 -0.4264 -0.3684 -0.3621 -0.2898 -0.2563 -0.2506 -0.2052 -0.2001 -0.1719 -0.1461 -0.1054 -0.0663 -0.0653 0.8436 0.8640 1.8245 1.8309 2.3057 2.3340 2.3802 2.3923 2.8576 2.8982 2.9679 2.9746 3.0695 3.1251 4.1702 4.2053 4.4908 4.5355 5.3205 5.3250 5.7705 5.7867 8.0369 8.0488 8.9476 8.9520 9.0603 9.0650 9.5128 9.5180 10.9378 10.9642 k =-0.2630 0.3630 0.4483 ( 5925 PWs) bands (ev): -6.0436 -6.0428 -5.2943 -5.2934 -4.8761 -4.8753 -4.2917 -4.2903 -1.3448 -1.3385 -0.8549 -0.8509 -0.6205 -0.6050 -0.5817 -0.5347 -0.4910 -0.4243 -0.3690 -0.3633 -0.2905 -0.2579 -0.2494 -0.2081 -0.2014 -0.1687 -0.1456 -0.1025 -0.0676 -0.0600 0.8156 0.8379 1.8134 1.8138 2.2953 2.3216 2.4808 2.4890 2.8348 2.8792 2.9347 2.9424 3.0043 3.0622 4.1801 4.2216 4.5352 4.5880 5.3047 5.3119 5.7620 5.7780 8.0697 8.0836 8.9599 8.9607 9.0541 9.0561 9.5725 9.5775 10.9074 10.9213 k =-0.2543 0.3509 0.4333 ( 5919 PWs) bands (ev): -6.0777 -6.0769 -5.2536 -5.2527 -4.8622 -4.8614 -4.2905 -4.2892 -1.3756 -1.3708 -0.8464 -0.8420 -0.6219 -0.6054 -0.5805 -0.5393 -0.4902 -0.4221 -0.3694 -0.3646 -0.2916 -0.2587 -0.2480 -0.2111 -0.2027 -0.1653 -0.1454 -0.0998 -0.0689 -0.0546 0.7844 0.8083 1.7966 1.8015 2.2859 2.3109 2.5870 2.5931 2.8139 2.8641 2.9001 2.9104 2.9430 3.0024 4.1919 4.2370 4.5847 4.6437 5.2817 5.2914 5.7494 5.7658 8.1018 8.1176 8.9731 8.9784 9.0540 9.0544 9.6265 9.6315 10.8326 10.8450 k =-0.2455 0.3388 0.4184 ( 5923 PWs) bands (ev): -6.1131 -6.1123 -5.2122 -5.2113 -4.8454 -4.8447 -4.2895 -4.2882 -1.4080 -1.4044 -0.8377 -0.8328 -0.6232 -0.6056 -0.5795 -0.5427 -0.4898 -0.4199 -0.3696 -0.3661 -0.2932 -0.2588 -0.2466 -0.2142 -0.2038 -0.1618 -0.1455 -0.0974 -0.0702 -0.0494 0.7508 0.7764 1.7792 1.7886 2.2801 2.3025 2.6931 2.6953 2.7966 2.8533 2.8653 2.8746 2.8946 2.9486 4.2045 4.2508 4.6383 4.7024 5.2515 5.2638 5.7339 5.7511 8.1337 8.1509 8.9925 9.0011 9.0597 9.0617 9.6735 9.6784 10.7328 10.7457 k =-0.2367 0.3267 0.4034 ( 5899 PWs) bands (ev): -6.1494 -6.1486 -5.1701 -5.1691 -4.8262 -4.8255 -4.2886 -4.2873 -1.4418 -1.4394 -0.8287 -0.8233 -0.6243 -0.6054 -0.5789 -0.5446 -0.4898 -0.4178 -0.3697 -0.3675 -0.2947 -0.2585 -0.2452 -0.2172 -0.2048 -0.1582 -0.1458 -0.0953 -0.0716 -0.0442 0.7157 0.7428 1.7617 1.7748 2.2778 2.2960 2.7431 2.7773 2.7946 2.8318 2.8510 2.8612 2.8731 2.9177 4.2166 4.2624 4.6953 4.7636 5.2144 5.2293 5.7164 5.7354 8.1658 8.1840 9.0184 9.0280 9.0742 9.0763 9.7113 9.7162 10.6182 10.6320 k =-0.2280 0.3146 0.3885 ( 5899 PWs) bands (ev): -6.1862 -6.1854 -5.1274 -5.1264 -4.8049 -4.8042 -4.2879 -4.2866 -1.4769 -1.4755 -0.8196 -0.8135 -0.6253 -0.6050 -0.5788 -0.5450 -0.4901 -0.4157 -0.3695 -0.3690 -0.2961 -0.2579 -0.2440 -0.2201 -0.2058 -0.1547 -0.1463 -0.0937 -0.0731 -0.0394 0.6796 0.7082 1.7443 1.7599 2.2785 2.2905 2.7196 2.7580 2.7753 2.8120 2.8412 2.8519 2.9641 2.9776 4.2271 4.2706 4.7553 4.8273 5.1712 5.1885 5.6984 5.7201 8.1985 8.2173 9.0506 9.0579 9.0980 9.0987 9.7371 9.7421 10.4966 10.5114 k =-0.2192 0.3025 0.3736 ( 5901 PWs) bands (ev): -6.2232 -6.2225 -5.0843 -5.0833 -4.7819 -4.7813 -4.2873 -4.2860 -1.5131 -1.5125 -0.8103 -0.8033 -0.6261 -0.6044 -0.5791 -0.5440 -0.4907 -0.4139 -0.3705 -0.3692 -0.2970 -0.2574 -0.2431 -0.2226 -0.2065 -0.1513 -0.1469 -0.0923 -0.0747 -0.0350 0.6429 0.6729 1.7270 1.7444 2.2812 2.2852 2.6773 2.7228 2.7343 2.7870 2.8354 2.8435 3.0824 3.0891 4.2348 4.2746 4.8176 4.8932 5.1224 5.1420 5.6814 5.7068 8.2323 8.2513 9.0883 9.0897 9.1266 9.1331 9.7467 9.7519 10.3756 10.3909 k =-0.2104 0.2904 0.3586 ( 5901 PWs) bands (ev): -6.2602 -6.2595 -5.0408 -5.0398 -4.7576 -4.7569 -4.2869 -4.2855 -1.5503 -1.5502 -0.8007 -0.7928 -0.6268 -0.6036 -0.5796 -0.5417 -0.4915 -0.4123 -0.3718 -0.3687 -0.2975 -0.2569 -0.2429 -0.2243 -0.2071 -0.1480 -0.1476 -0.0914 -0.0765 -0.0310 0.6059 0.6374 1.7101 1.7284 2.2789 2.2845 2.6282 2.6878 2.6955 2.7630 2.8358 2.8405 3.2056 3.2107 4.2386 4.2734 4.8819 4.9611 5.0690 5.0910 5.6669 5.6971 8.2677 8.2865 9.1245 9.1306 9.1617 9.1750 9.7342 9.7399 10.2630 10.2783 k =-0.2016 0.2783 0.3437 ( 5901 PWs) bands (ev): -6.2968 -6.2962 -4.9971 -4.9960 -4.7321 -4.7314 -4.2866 -4.2852 -1.5887 -1.5881 -0.7908 -0.7820 -0.6273 -0.6025 -0.5800 -0.5385 -0.4925 -0.4111 -0.3729 -0.3680 -0.2974 -0.2566 -0.2436 -0.2250 -0.2075 -0.1485 -0.1448 -0.0907 -0.0783 -0.0275 0.5689 0.6019 1.6939 1.7123 2.2707 2.2870 2.5785 2.6406 2.6740 2.7445 2.8397 2.8419 3.3311 3.3357 4.2377 4.2664 4.9467 5.0113 5.0315 5.0375 5.6563 5.6923 8.3047 8.3232 9.1628 9.1761 9.2024 9.2215 9.6931 9.6997 10.1672 10.1818 k =-0.1929 0.2662 0.3287 ( 5901 PWs) bands (ev): -6.3329 -6.3324 -4.9532 -4.9521 -4.7058 -4.7052 -4.2864 -4.2851 -1.6275 -1.6264 -0.7808 -0.7708 -0.6276 -0.6013 -0.5802 -0.5346 -0.4936 -0.4103 -0.3738 -0.3672 -0.2967 -0.2566 -0.2455 -0.2244 -0.2078 -0.1494 -0.1417 -0.0904 -0.0803 -0.0246 0.5320 0.5667 1.6785 1.6965 2.2599 2.2871 2.5304 2.5946 2.6585 2.7323 2.8462 2.8470 3.4577 3.4622 4.2314 4.2532 4.9523 4.9706 5.0240 5.1025 5.6510 5.6936 8.3434 8.3613 9.2048 9.2233 9.2479 9.2700 9.6204 9.6282 10.0931 10.1062 k =-0.1841 0.2541 0.3138 ( 5905 PWs) bands (ev): -6.3683 -6.3678 -4.9093 -4.9083 -4.6789 -4.6783 -4.2864 -4.2850 -1.6665 -1.6651 -0.7704 -0.7592 -0.6278 -0.6000 -0.5800 -0.5302 -0.4946 -0.4099 -0.3743 -0.3660 -0.2954 -0.2568 -0.2481 -0.2228 -0.2078 -0.1505 -0.1387 -0.0903 -0.0824 -0.0223 0.4955 0.5317 1.6642 1.6811 2.2461 2.2835 2.4845 2.5503 2.6496 2.7260 2.8549 2.8550 3.5844 3.5888 4.2198 4.2340 4.8922 4.9159 5.0893 5.1755 5.6517 5.7017 8.3835 8.4007 9.2494 9.2702 9.2966 9.3172 9.5225 9.5301 10.0377 10.0490 k =-0.1753 0.2420 0.2989 ( 5901 PWs) bands (ev): -6.4029 -6.4024 -4.8656 -4.8645 -4.6517 -4.6512 -4.2864 -4.2851 -1.7056 -1.7039 -0.7599 -0.7474 -0.6279 -0.5987 -0.5793 -0.5254 -0.4956 -0.4099 -0.3746 -0.3646 -0.2934 -0.2572 -0.2512 -0.2205 -0.2076 -0.1516 -0.1358 -0.0904 -0.0846 -0.0206 0.4593 0.4974 1.6512 1.6665 2.2296 2.2757 2.4411 2.5084 2.6475 2.7248 2.8653 2.8656 3.7097 3.7140 4.2030 4.2093 4.8332 4.8585 5.1592 5.2497 5.6590 5.7170 8.4243 8.4409 9.2929 9.3124 9.3476 9.3517 9.4164 9.4197 9.9942 10.0046 k =-0.1666 0.2299 0.2839 ( 5905 PWs) bands (ev): -6.4364 -6.4359 -4.8222 -4.8211 -4.6245 -4.6239 -4.2866 -4.2853 -1.7445 -1.7426 -0.7492 -0.7353 -0.6278 -0.5973 -0.5780 -0.5205 -0.4966 -0.4103 -0.3745 -0.3629 -0.2909 -0.2578 -0.2546 -0.2176 -0.2073 -0.1528 -0.1331 -0.0907 -0.0869 -0.0196 0.4238 0.4636 1.6395 1.6529 2.2108 2.2639 2.4005 2.4688 2.6512 2.7277 2.8774 2.8776 3.8318 3.8356 4.1800 4.1821 4.7782 4.8043 5.2303 5.3251 5.6730 5.7394 8.4647 8.4806 9.2624 9.2846 9.3480 9.3556 9.4005 9.4125 9.9420 9.9698 k =-0.1578 0.2178 0.2690 ( 5905 PWs) bands (ev): -6.4687 -6.4682 -4.7792 -4.7781 -4.5973 -4.5967 -4.2869 -4.2856 -1.7831 -1.7810 -0.7383 -0.7229 -0.6277 -0.5960 -0.5761 -0.5155 -0.4973 -0.4110 -0.3742 -0.3607 -0.2880 -0.2584 -0.2581 -0.2143 -0.2068 -0.1541 -0.1304 -0.0911 -0.0894 -0.0193 0.3888 0.4305 1.6292 1.6404 2.1905 2.2491 2.3628 2.4319 2.6592 2.7332 2.8904 2.8906 3.9474 3.9496 4.1476 4.1585 4.7314 4.7575 5.3021 5.4012 5.6935 5.7683 8.5028 8.5179 9.1430 9.1622 9.3726 9.3784 9.4412 9.4535 9.8050 9.8590 k =-0.1490 0.2057 0.2540 ( 5901 PWs) bands (ev): -6.4997 -6.4993 -4.7368 -4.7357 -4.5705 -4.5699 -4.2873 -4.2860 -1.8212 -1.8190 -0.7272 -0.7105 -0.6275 -0.5947 -0.5737 -0.5106 -0.4979 -0.4118 -0.3736 -0.3581 -0.2848 -0.2617 -0.2588 -0.2105 -0.2063 -0.1554 -0.1277 -0.0918 -0.0917 -0.0196 0.3544 0.3982 1.6205 1.6291 2.1696 2.2324 2.3280 2.3977 2.6695 2.7398 2.9034 2.9044 4.0468 4.0503 4.1140 4.1368 4.6999 4.7248 5.3741 5.4780 5.7199 5.8033 8.5347 8.5491 9.0228 9.0413 9.3705 9.3838 9.4709 9.5046 9.6613 9.7060 k =-0.1403 0.1936 0.2391 ( 5897 PWs) bands (ev): -6.5294 -6.5290 -4.6952 -4.6941 -4.5441 -4.5435 -4.2877 -4.2864 -1.8587 -1.8564 -0.7161 -0.6980 -0.6271 -0.5936 -0.5706 -0.5059 -0.4983 -0.4127 -0.3728 -0.3550 -0.2819 -0.2653 -0.2587 -0.2063 -0.2057 -0.1568 -0.1252 -0.0943 -0.0923 -0.0206 0.3208 0.3667 1.6132 1.6191 2.1487 2.2150 2.2964 2.3663 2.6801 2.7459 2.9160 2.9180 4.0779 4.0867 4.1345 4.1490 4.6944 4.7160 5.4460 5.5551 5.7514 5.8436 8.5525 8.5662 8.9142 8.9323 9.3447 9.3578 9.4617 9.5318 9.5646 9.5775 k =-0.1315 0.1815 0.2241 ( 5909 PWs) bands (ev): -6.5576 -6.5573 -4.6545 -4.6534 -4.5185 -4.5179 -4.2883 -4.2870 -1.8953 -1.8930 -0.7051 -0.6856 -0.6266 -0.5927 -0.5671 -0.5014 -0.4984 -0.4136 -0.3719 -0.3513 -0.2796 -0.2688 -0.2575 -0.2051 -0.2018 -0.1583 -0.1227 -0.0969 -0.0931 -0.0222 0.2879 0.3359 1.6075 1.6104 2.1287 2.1978 2.2679 2.3377 2.6893 2.7501 2.9275 2.9308 4.0461 4.0690 4.1846 4.1865 4.7260 4.7423 5.5176 5.6322 5.7872 5.8881 8.5407 8.5541 8.8312 8.8488 9.2996 9.3101 9.3446 9.4044 9.5787 9.6026 k =-0.1227 0.1694 0.2092 ( 5899 PWs) bands (ev): -6.5843 -6.5840 -4.6149 -4.6139 -4.4936 -4.4930 -4.2888 -4.2875 -1.9308 -1.9285 -0.6941 -0.6735 -0.6260 -0.5918 -0.5630 -0.4982 -0.4973 -0.4144 -0.3708 -0.3470 -0.2786 -0.2722 -0.2546 -0.2044 -0.1968 -0.1598 -0.1202 -0.0994 -0.0938 -0.0245 0.2559 0.3061 1.6031 1.6032 2.1102 2.1816 2.2427 2.3118 2.6952 2.7511 2.9371 2.9421 4.0170 4.0472 4.1969 4.2015 4.7961 4.8064 5.5886 5.7089 5.8264 5.9362 8.4855 8.4992 8.7834 8.7993 9.2106 9.2447 9.2537 9.2661 9.6090 9.6365 k =-0.1140 0.1573 0.1943 ( 5903 PWs) bands (ev): -6.6094 -6.6091 -4.5767 -4.5757 -4.4698 -4.4692 -4.2894 -4.2882 -1.9651 -1.9629 -0.6833 -0.6619 -0.6253 -0.5912 -0.5583 -0.4978 -0.4936 -0.4150 -0.3693 -0.3420 -0.2787 -0.2755 -0.2503 -0.2037 -0.1915 -0.1614 -0.1178 -0.1018 -0.0946 -0.0275 0.2247 0.2771 1.5970 1.6001 2.0937 2.1671 2.2207 2.2888 2.6966 2.7478 2.9443 2.9511 3.9926 4.0282 4.1856 4.1941 4.8941 4.8998 5.6585 5.7849 5.8682 5.9867 8.3983 8.4123 8.7515 8.7650 9.0792 9.1287 9.1994 9.2031 9.6333 9.6602 k =-0.1052 0.1452 0.1793 ( 5917 PWs) bands (ev): -6.6329 -6.6326 -4.5401 -4.5390 -4.4472 -4.4465 -4.2901 -4.2888 -1.9980 -1.9958 -0.6728 -0.6509 -0.6244 -0.5907 -0.5533 -0.4973 -0.4904 -0.4154 -0.3675 -0.3365 -0.2797 -0.2787 -0.2450 -0.2029 -0.1858 -0.1629 -0.1155 -0.1040 -0.0954 -0.0311 0.1943 0.2490 1.5922 1.5982 2.0798 2.1546 2.2020 2.2685 2.6924 2.7394 2.9485 2.9573 3.9738 4.0134 4.1638 4.1743 5.0085 5.0110 5.7270 5.8597 5.9118 6.0389 8.2989 8.3128 8.7069 8.7176 8.9532 8.9999 9.1706 9.1715 9.6474 9.6711 k =-0.0964 0.1331 0.1644 ( 5921 PWs) bands (ev): -6.6546 -6.6543 -4.5052 -4.5042 -4.4258 -4.4251 -4.2907 -4.2895 -2.0293 -2.0272 -0.6627 -0.6408 -0.6233 -0.5903 -0.5478 -0.4967 -0.4876 -0.4157 -0.3651 -0.3303 -0.2817 -0.2810 -0.2393 -0.2019 -0.1801 -0.1641 -0.1135 -0.1057 -0.0962 -0.0352 0.1651 0.2218 1.5884 1.5971 2.0688 2.1446 2.1865 2.2509 2.6821 2.7257 2.9493 2.9602 3.9611 4.0036 4.1393 4.1503 5.1317 5.1318 5.7939 5.9321 5.9570 6.0918 8.1977 8.2113 8.6369 8.6450 8.8336 8.8775 9.1645 9.1662 9.6497 9.6682 k =-0.0877 0.1210 0.1494 ( 5905 PWs) bands (ev): -6.6746 -6.6743 -4.4722 -4.4713 -4.4058 -4.4051 -4.2914 -4.2901 -2.0587 -2.0568 -0.6531 -0.6318 -0.6218 -0.5898 -0.5419 -0.4961 -0.4851 -0.4158 -0.3618 -0.3237 -0.2845 -0.2823 -0.2339 -0.2001 -0.1753 -0.1639 -0.1124 -0.1064 -0.0970 -0.0400 0.1369 0.1956 1.5857 1.5966 2.0613 2.1374 2.1743 2.2358 2.6656 2.7065 2.9466 2.9595 3.9545 3.9987 4.1162 4.1271 5.2574 5.2591 5.8589 5.9950 6.0096 6.1445 8.0995 8.1125 8.5442 8.5503 8.7213 8.7623 9.1771 9.1804 9.6401 9.6527 k =-0.0789 0.1089 0.1345 ( 5903 PWs) bands (ev): -6.6927 -6.6925 -4.4415 -4.4406 -4.3873 -4.3866 -4.2920 -4.2908 -2.0862 -2.0844 -0.6444 -0.6243 -0.6200 -0.5892 -0.5359 -0.4956 -0.4830 -0.4162 -0.3575 -0.3169 -0.2870 -0.2835 -0.2294 -0.1972 -0.1738 -0.1603 -0.1128 -0.1056 -0.0978 -0.0454 0.1100 0.1702 1.5838 1.5965 2.0576 2.1329 2.1652 2.2231 2.6433 2.6824 2.9405 2.9553 3.9535 3.9980 4.0967 4.1071 5.3846 5.3879 5.9218 6.0415 6.0753 6.1960 8.0066 8.0189 8.4364 8.4412 8.6171 8.6550 9.2013 9.2054 9.6204 9.6268 k =-0.0701 0.0968 0.1195 ( 5895 PWs) bands (ev): -6.7091 -6.7089 -4.4132 -4.4124 -4.3705 -4.3697 -4.2927 -4.2914 -2.1114 -2.1098 -0.6368 -0.6183 -0.6175 -0.5883 -0.5297 -0.4953 -0.4809 -0.4169 -0.3519 -0.3102 -0.2889 -0.2844 -0.2264 -0.1927 -0.1751 -0.1536 -0.1138 -0.1037 -0.0987 -0.0514 0.0846 0.1458 1.5827 1.5966 2.0578 2.1313 2.1592 2.2124 2.6162 2.6542 2.9316 2.9477 3.9570 4.0006 4.0821 4.0915 5.5109 5.5158 5.9824 6.0846 6.1401 6.2453 7.9205 7.9319 8.3201 8.3240 8.5217 8.5562 9.2308 9.2350 9.5929 9.5938 k =-0.0614 0.0847 0.1046 ( 5883 PWs) bands (ev): -6.7235 -6.7234 -4.3876 -4.3868 -4.3554 -4.3545 -4.2933 -4.2920 -2.1343 -2.1328 -0.6308 -0.6141 -0.6141 -0.5870 -0.5236 -0.4952 -0.4788 -0.4182 -0.3451 -0.3043 -0.2897 -0.2845 -0.2250 -0.1867 -0.1776 -0.1456 -0.1149 -0.1016 -0.0995 -0.0580 0.0611 0.1224 1.5822 1.5965 2.0621 2.1322 2.1564 2.2036 2.5853 2.6227 2.9204 2.9373 3.9640 4.0051 4.0726 4.0808 5.6336 5.6405 6.0410 6.1259 6.2011 6.2915 7.8423 7.8526 8.2000 8.2034 8.4357 8.4667 9.2618 9.2655 9.5571 9.5604 k =-0.0526 0.0726 0.0897 ( 5901 PWs) bands (ev): -6.7361 -6.7360 -4.3648 -4.3642 -4.3421 -4.3412 -4.2940 -4.2926 -2.1546 -2.1532 -0.6263 -0.6116 -0.6097 -0.5855 -0.5179 -0.4954 -0.4764 -0.4203 -0.3376 -0.3011 -0.2879 -0.2838 -0.2250 -0.1810 -0.1795 -0.1371 -0.1157 -0.1005 -0.0994 -0.0653 0.0398 0.1001 1.5822 1.5962 2.0704 2.1351 2.1567 2.1963 2.5522 2.5892 2.9079 2.9249 3.9729 4.0098 4.0684 4.0747 5.7498 5.7591 6.0981 6.1659 6.2576 6.3336 7.7728 7.7819 8.0798 8.0828 8.3598 8.3870 9.2916 9.2945 9.5200 9.5259 k =-0.0438 0.0605 0.0747 ( 5893 PWs) bands (ev): -6.7468 -6.7467 -4.3451 -4.3446 -4.3306 -4.3296 -4.2946 -4.2932 -2.1720 -2.1709 -0.6232 -0.6104 -0.6047 -0.5840 -0.5128 -0.4958 -0.4733 -0.4232 -0.3298 -0.3009 -0.2830 -0.2815 -0.2259 -0.1852 -0.1715 -0.1285 -0.1162 -0.1016 -0.0972 -0.0731 0.0214 0.0788 1.5827 1.5956 2.0825 2.1392 2.1600 2.1901 2.5186 2.5549 2.8953 2.9114 3.9825 4.0138 4.0686 4.0726 5.8554 5.8676 6.1549 6.2054 6.3086 6.3706 7.7128 7.7206 7.9631 7.9657 8.2947 8.3178 9.3187 9.3201 9.4853 9.4918 k =-0.0351 0.0484 0.0598 ( 5897 PWs) bands (ev): -6.7556 -6.7555 -4.3287 -4.3284 -4.3210 -4.3199 -4.2952 -4.2938 -2.1866 -2.1857 -0.6208 -0.6102 -0.5996 -0.5828 -0.5086 -0.4963 -0.4695 -0.4268 -0.3229 -0.3021 -0.2773 -0.2771 -0.2272 -0.1903 -0.1632 -0.1207 -0.1162 -0.1028 -0.0951 -0.0810 0.0066 0.0588 1.5835 1.5947 2.0978 2.1438 2.1655 2.1847 2.4866 2.5211 2.8837 2.8980 3.9918 4.0165 4.0718 4.0735 5.9455 5.9607 6.2123 6.2457 6.3537 6.4017 7.6629 7.6693 7.8539 7.8560 8.2409 8.2598 9.3408 9.3415 9.4556 9.4609 k =-0.0263 0.0363 0.0448 ( 5899 PWs) bands (ev): -6.7624 -6.7624 -4.3159 -4.3158 -4.3129 -4.3121 -4.2960 -4.2945 -2.1980 -2.1973 -0.6188 -0.6106 -0.5950 -0.5822 -0.5053 -0.4971 -0.4648 -0.4312 -0.3174 -0.3035 -0.2714 -0.2712 -0.2284 -0.1966 -0.1546 -0.1158 -0.1151 -0.1049 -0.0930 -0.0875 -0.0037 0.0403 1.5845 1.5935 2.1154 2.1487 2.1714 2.1798 2.4586 2.4895 2.8739 2.8856 3.9999 4.0180 4.0762 4.0763 6.0158 6.0323 6.2694 6.2875 6.3920 6.4263 7.6237 7.6286 7.7571 7.7589 8.1991 8.2135 9.3552 9.3586 9.4335 9.4356 k =-0.0175 0.0242 0.0299 ( 5899 PWs) bands (ev): -6.7673 -6.7673 -4.3082 -4.3065 -4.3061 -4.3054 -4.2968 -4.2954 -2.2063 -2.2058 -0.6170 -0.6114 -0.5909 -0.5823 -0.5029 -0.4979 -0.4594 -0.4362 -0.3135 -0.3051 -0.2659 -0.2649 -0.2285 -0.2040 -0.1458 -0.1149 -0.1137 -0.1089 -0.0912 -0.0899 -0.0087 0.0237 1.5858 1.5920 2.1339 2.1539 2.1749 2.1752 2.4376 2.4619 2.8670 2.8753 4.0067 4.0183 4.0796 4.0802 6.0652 6.0794 6.3203 6.3274 6.4230 6.4440 7.5956 7.5989 7.6793 7.6805 8.1696 8.1793 9.3623 9.3677 9.4193 9.4206 k =-0.0088 0.0121 0.0149 ( 5897 PWs) bands (ev): -6.7703 -6.7702 -4.3038 -4.3018 -4.3011 -4.3001 -4.2977 -4.2966 -2.2112 -2.2109 -0.6154 -0.6125 -0.5876 -0.5833 -0.5011 -0.4988 -0.4536 -0.4418 -0.3107 -0.3068 -0.2617 -0.2603 -0.2260 -0.2121 -0.1370 -0.1195 -0.1137 -0.1110 -0.0897 -0.0893 -0.0078 0.0094 1.5873 1.5905 2.1513 2.1591 2.1701 2.1740 2.4268 2.4405 2.8635 2.8678 4.0118 4.0175 4.0823 4.0828 6.0953 6.1034 6.3558 6.3571 6.4450 6.4543 7.5790 7.5806 7.6280 7.6287 8.1527 8.1576 9.3641 9.3683 9.4136 9.4155 k = 0.0000 0.0000 0.0000 ( 5903 PWs) bands (ev): -6.7712 -6.7712 -4.3011 -4.3011 -4.2987 -4.2987 -4.2978 -4.2978 -2.2127 -2.2127 -0.6139 -0.6139 -0.5850 -0.5850 -0.4998 -0.4998 -0.4476 -0.4476 -0.3086 -0.3086 -0.2594 -0.2594 -0.2201 -0.2201 -0.1281 -0.1281 -0.1124 -0.1124 -0.0890 -0.0890 -0.0015 -0.0015 1.5889 1.5889 2.1628 2.1628 2.1675 2.1675 2.4280 2.4280 2.8638 2.8638 4.0154 4.0154 4.0835 4.0835 6.1080 6.1080 6.3682 6.3682 6.4556 6.4556 7.5739 7.5739 7.6102 7.6102 8.1487 8.1487 9.3656 9.3656 9.4137 9.4137 k = 0.0000 0.0000 0.0000 ( 5903 PWs) bands (ev): -6.7712 -6.7712 -4.3011 -4.3011 -4.2987 -4.2987 -4.2978 -4.2978 -2.2127 -2.2127 -0.6139 -0.6139 -0.5850 -0.5850 -0.4998 -0.4998 -0.4476 -0.4476 -0.3086 -0.3086 -0.2594 -0.2594 -0.2201 -0.2201 -0.1281 -0.1281 -0.1124 -0.1124 -0.0890 -0.0890 -0.0015 -0.0015 1.5889 1.5889 2.1628 2.1628 2.1675 2.1675 2.4280 2.4280 2.8638 2.8638 4.0154 4.0154 4.0835 4.0835 6.1080 6.1080 6.3682 6.3682 6.4556 6.4556 7.5739 7.5739 7.6102 7.6102 8.1487 8.1487 9.3656 9.3656 9.4137 9.4137 k = 0.0172 0.0125 0.0000 ( 5907 PWs) bands (ev): -6.7701 -6.7701 -4.3048 -4.3048 -4.2994 -4.2994 -4.2979 -4.2979 -2.2087 -2.2087 -0.6138 -0.6138 -0.5850 -0.5850 -0.5003 -0.5003 -0.4475 -0.4475 -0.3083 -0.3083 -0.2613 -0.2613 -0.2194 -0.2194 -0.1291 -0.1291 -0.1121 -0.1121 -0.0892 -0.0892 -0.0007 -0.0007 1.5884 1.5884 2.1643 2.1643 2.1690 2.1690 2.4303 2.4303 2.8672 2.8672 4.0169 4.0169 4.0850 4.0850 6.1017 6.1017 6.3635 6.3635 6.4376 6.4376 7.5750 7.5750 7.6307 7.6307 8.1513 8.1513 9.3684 9.3684 9.4157 9.4157 k = 0.0345 0.0250 0.0000 ( 5906 PWs) bands (ev): -6.7669 -6.7669 -4.3176 -4.3176 -4.2998 -4.2998 -4.2982 -4.2982 -2.1968 -2.1968 -0.6135 -0.6135 -0.5851 -0.5851 -0.5018 -0.5018 -0.4474 -0.4474 -0.3076 -0.3076 -0.2664 -0.2664 -0.2179 -0.2179 -0.1318 -0.1318 -0.1114 -0.1114 -0.0899 -0.0899 0.0017 0.0017 1.5871 1.5871 2.1685 2.1685 2.1737 2.1737 2.4371 2.4371 2.8773 2.8773 4.0213 4.0213 4.0893 4.0893 6.0825 6.0825 6.3496 6.3496 6.3880 6.3880 7.5782 7.5782 7.6884 7.6884 8.1589 8.1589 9.3762 9.3762 9.4213 9.4213 k = 0.0517 0.0375 0.0000 ( 5914 PWs) bands (ev): -6.7614 -6.7614 -4.3386 -4.3386 -4.3003 -4.3003 -4.2987 -4.2987 -2.1773 -2.1773 -0.6131 -0.6131 -0.5853 -0.5853 -0.5043 -0.5043 -0.4471 -0.4471 -0.3065 -0.3065 -0.2738 -0.2738 -0.2162 -0.2162 -0.1355 -0.1355 -0.1109 -0.1109 -0.0910 -0.0910 0.0053 0.0053 1.5852 1.5852 2.1756 2.1756 2.1813 2.1813 2.4484 2.4484 2.8939 2.8939 4.0285 4.0285 4.0966 4.0966 6.0486 6.0486 6.3173 6.3173 6.3269 6.3269 7.5836 7.5836 7.7746 7.7746 8.1717 8.1717 9.3877 9.3877 9.4292 9.4292 k = 0.0690 0.0500 0.0000 ( 5926 PWs) bands (ev): -6.7538 -6.7538 -4.3673 -4.3673 -4.3010 -4.3010 -4.2993 -4.2993 -2.1508 -2.1508 -0.6125 -0.6125 -0.5856 -0.5856 -0.5077 -0.5077 -0.4468 -0.4468 -0.3051 -0.3051 -0.2828 -0.2828 -0.2148 -0.2148 -0.1396 -0.1396 -0.1107 -0.1107 -0.0926 -0.0926 0.0099 0.0099 1.5830 1.5830 2.1855 2.1855 2.1920 2.1920 2.4639 2.4639 2.9167 2.9167 4.0386 4.0386 4.1066 4.1066 5.9969 5.9969 6.2380 6.2380 6.2959 6.2959 7.5912 7.5912 7.8803 7.8803 8.1894 8.1894 9.4004 9.4004 9.4372 9.4372 k = 0.0862 0.0625 0.0000 ( 5926 PWs) bands (ev): -6.7440 -6.7440 -4.4030 -4.4030 -4.3018 -4.3018 -4.3001 -4.3001 -2.1182 -2.1182 -0.6119 -0.6119 -0.5860 -0.5860 -0.5121 -0.5121 -0.4466 -0.4466 -0.3045 -0.3045 -0.2916 -0.2916 -0.2140 -0.2140 -0.1436 -0.1436 -0.1109 -0.1109 -0.0945 -0.0945 0.0150 0.0150 1.5809 1.5809 2.1981 2.1981 2.2055 2.2055 2.4836 2.4836 2.9453 2.9453 4.0515 4.0515 4.1194 4.1194 5.9241 5.9241 6.1606 6.1606 6.2575 6.2575 7.6011 7.6011 7.9985 7.9985 8.2120 8.2120 9.4104 9.4104 9.4419 9.4419 k = 0.1034 0.0750 0.0000 ( 5918 PWs) bands (ev): -6.7321 -6.7321 -4.4449 -4.4449 -4.3027 -4.3027 -4.3011 -4.3011 -2.0801 -2.0801 -0.6113 -0.6113 -0.5867 -0.5867 -0.5173 -0.5173 -0.4464 -0.4464 -0.3095 -0.3095 -0.2950 -0.2950 -0.2140 -0.2140 -0.1473 -0.1473 -0.1115 -0.1115 -0.0967 -0.0967 0.0204 0.0204 1.5793 1.5793 2.2134 2.2134 2.2218 2.2218 2.5070 2.5070 2.9792 2.9792 4.0670 4.0670 4.1349 4.1349 5.8304 5.8304 6.0902 6.0902 6.2124 6.2124 7.6133 7.6133 8.1238 8.1238 8.2394 8.2394 9.4118 9.4118 9.4391 9.4391 k = 0.1207 0.0874 0.0000 ( 5918 PWs) bands (ev): -6.7180 -6.7180 -4.4922 -4.4922 -4.3038 -4.3038 -4.3022 -4.3022 -2.0376 -2.0376 -0.6111 -0.6111 -0.5877 -0.5877 -0.5231 -0.5231 -0.4465 -0.4465 -0.3198 -0.3198 -0.2928 -0.2928 -0.2147 -0.2147 -0.1505 -0.1505 -0.1125 -0.1125 -0.0992 -0.0992 0.0257 0.0257 1.5789 1.5789 2.2314 2.2314 2.2408 2.2408 2.5339 2.5339 3.0177 3.0177 4.0850 4.0850 4.1528 4.1528 5.7212 5.7212 6.0254 6.0254 6.1617 6.1617 7.6279 7.6279 8.2517 8.2517 8.2718 8.2718 9.3869 9.3869 9.4158 9.4158 k = 0.1379 0.0999 0.0000 ( 5902 PWs) bands (ev): -6.7017 -6.7017 -4.5441 -4.5441 -4.3050 -4.3050 -4.3035 -4.3035 -1.9914 -1.9914 -0.6116 -0.6116 -0.5890 -0.5890 -0.5293 -0.5293 -0.4468 -0.4468 -0.3312 -0.3312 -0.2889 -0.2889 -0.2163 -0.2163 -0.1530 -0.1530 -0.1137 -0.1137 -0.1019 -0.1019 0.0307 0.0307 1.5800 1.5800 2.2518 2.2518 2.2623 2.2623 2.5638 2.5638 3.0605 3.0605 4.1054 4.1054 4.1731 4.1731 5.6026 5.6026 5.9631 5.9631 6.1062 6.1062 7.6449 7.6449 8.3080 8.3080 8.3791 8.3791 9.3286 9.3286 9.3830 9.3830 k = 0.1552 0.1124 0.0000 ( 5886 PWs) bands (ev): -6.6833 -6.6833 -4.6000 -4.6000 -4.3064 -4.3064 -4.3049 -4.3049 -1.9424 -1.9424 -0.6136 -0.6136 -0.5903 -0.5903 -0.5353 -0.5353 -0.4474 -0.4474 -0.3424 -0.3424 -0.2841 -0.2841 -0.2185 -0.2185 -0.1549 -0.1549 -0.1153 -0.1153 -0.1047 -0.1047 0.0354 0.0354 1.5832 1.5832 2.2746 2.2746 2.2862 2.2862 2.5963 2.5963 3.1068 3.1068 4.1280 4.1280 4.1956 4.1956 5.4789 5.4789 5.9013 5.9013 6.0471 6.0471 7.6643 7.6643 8.3489 8.3489 8.4993 8.4993 9.2695 9.2695 9.3339 9.3339 k = 0.1724 0.1249 0.0000 ( 5890 PWs) bands (ev): -6.6628 -6.6628 -4.6591 -4.6591 -4.3078 -4.3078 -4.3064 -4.3064 -1.8914 -1.8914 -0.6185 -0.6185 -0.5911 -0.5911 -0.5405 -0.5405 -0.4486 -0.4486 -0.3532 -0.3532 -0.2788 -0.2788 -0.2212 -0.2212 -0.1561 -0.1561 -0.1173 -0.1173 -0.1075 -0.1075 0.0395 0.0395 1.5889 1.5889 2.2997 2.2997 2.3123 2.3123 2.6309 2.6309 3.1561 3.1561 4.1525 4.1525 4.2201 4.2201 5.3530 5.3530 5.8391 5.8391 5.9852 5.9852 7.6863 7.6863 8.3939 8.3939 8.6038 8.6038 9.2223 9.2223 9.2660 9.2660 k = 0.1897 0.1374 0.0000 ( 5890 PWs) bands (ev): -6.6401 -6.6401 -4.7209 -4.7209 -4.3093 -4.3093 -4.3079 -4.3079 -1.8390 -1.8390 -0.6269 -0.6269 -0.5910 -0.5910 -0.5444 -0.5444 -0.4502 -0.4502 -0.3633 -0.3633 -0.2730 -0.2730 -0.2243 -0.2243 -0.1568 -0.1568 -0.1194 -0.1194 -0.1102 -0.1102 0.0430 0.0430 1.5977 1.5977 2.3269 2.3269 2.3405 2.3405 2.6670 2.6670 3.2078 3.2078 4.1787 4.1787 4.2461 4.2461 5.2269 5.2269 5.7764 5.7764 5.9214 5.9214 7.7109 7.7109 8.4427 8.4427 8.6771 8.6771 9.1777 9.1777 9.1966 9.1966 k = 0.2069 0.1499 0.0000 ( 5882 PWs) bands (ev): -6.6153 -6.6153 -4.7847 -4.7847 -4.3109 -4.3109 -4.3096 -4.3096 -1.7859 -1.7859 -0.6391 -0.6391 -0.5901 -0.5901 -0.5469 -0.5469 -0.4523 -0.4523 -0.3726 -0.3726 -0.2671 -0.2671 -0.2274 -0.2274 -0.1569 -0.1569 -0.1219 -0.1219 -0.1126 -0.1126 0.0459 0.0459 1.6099 1.6099 2.3559 2.3559 2.3705 2.3705 2.7039 2.7039 3.2615 3.2615 4.2063 4.2063 4.2735 4.2735 5.1017 5.1017 5.7138 5.7138 5.8566 5.8566 7.7379 7.7379 8.4947 8.4947 8.7024 8.7024 9.0823 9.0823 9.1000 9.1000 k = 0.2241 0.1624 0.0000 ( 5890 PWs) bands (ev): -6.5885 -6.5885 -4.8502 -4.8502 -4.3125 -4.3125 -4.3113 -4.3113 -1.7327 -1.7327 -0.6544 -0.6544 -0.5885 -0.5885 -0.5481 -0.5481 -0.4549 -0.4549 -0.3812 -0.3812 -0.2614 -0.2614 -0.2301 -0.2301 -0.1565 -0.1565 -0.1244 -0.1244 -0.1147 -0.1147 0.0481 0.0481 1.6258 1.6258 2.3866 2.3866 2.4020 2.4020 2.7407 2.7407 3.3165 3.3165 4.2348 4.2348 4.3016 4.3016 4.9788 4.9788 5.6516 5.6516 5.7917 5.7917 7.7675 7.7675 8.5493 8.5493 8.6809 8.6809 8.9771 8.9771 8.9943 8.9943 k = 0.2414 0.1749 0.0000 ( 5874 PWs) bands (ev): -6.5596 -6.5596 -4.9169 -4.9169 -4.3142 -4.3142 -4.3130 -4.3130 -1.6798 -1.6798 -0.6722 -0.6722 -0.5865 -0.5865 -0.5482 -0.5482 -0.4580 -0.4580 -0.3892 -0.3892 -0.2565 -0.2565 -0.2319 -0.2319 -0.1557 -0.1557 -0.1270 -0.1270 -0.1162 -0.1162 0.0496 0.0496 1.6458 1.6458 2.4188 2.4188 2.4349 2.4349 2.7767 2.7767 3.3722 3.3722 4.2639 4.2639 4.3301 4.3301 4.8592 4.8592 5.5907 5.5907 5.7275 5.7275 7.7995 7.7995 8.6049 8.6049 8.6304 8.6304 8.8668 8.8668 8.8834 8.8834 k = 0.2586 0.1874 0.0000 ( 5882 PWs) bands (ev): -6.5286 -6.5286 -4.9845 -4.9845 -4.3159 -4.3159 -4.3147 -4.3147 -1.6277 -1.6277 -0.6920 -0.6920 -0.5842 -0.5842 -0.5475 -0.5475 -0.4615 -0.4615 -0.3967 -0.3967 -0.2534 -0.2534 -0.2322 -0.2322 -0.1548 -0.1548 -0.1294 -0.1294 -0.1170 -0.1170 0.0504 0.0504 1.6702 1.6702 2.4521 2.4521 2.4689 2.4689 2.8105 2.8105 3.4282 3.4282 4.2930 4.2930 4.3581 4.3581 4.7439 4.7439 5.5318 5.5318 5.6649 5.6649 7.8337 7.8337 8.5655 8.5655 8.6586 8.6586 8.7548 8.7548 8.7706 8.7706 k = 0.2759 0.1999 0.0000 ( 5890 PWs) bands (ev): -6.4956 -6.4956 -5.0526 -5.0526 -4.3175 -4.3175 -4.3164 -4.3164 -1.5767 -1.5767 -0.7133 -0.7133 -0.5816 -0.5816 -0.5462 -0.5462 -0.4653 -0.4653 -0.4039 -0.4039 -0.2524 -0.2524 -0.2308 -0.2308 -0.1539 -0.1539 -0.1315 -0.1315 -0.1167 -0.1167 0.0505 0.0505 1.6990 1.6990 2.4863 2.4863 2.5036 2.5036 2.8412 2.8412 3.4840 3.4840 4.3215 4.3215 4.3847 4.3847 4.6346 4.6346 5.4759 5.4759 5.6048 5.6048 7.8701 7.8701 8.4947 8.4947 8.6394 8.6394 8.6550 8.6550 8.7112 8.7112 k = 0.2931 0.2124 0.0000 ( 5902 PWs) bands (ev): -6.4605 -6.4605 -5.1210 -5.1210 -4.3191 -4.3191 -4.3181 -4.3181 -1.5270 -1.5270 -0.7359 -0.7359 -0.5789 -0.5789 -0.5444 -0.5444 -0.4695 -0.4695 -0.4109 -0.4109 -0.2530 -0.2530 -0.2284 -0.2284 -0.1533 -0.1533 -0.1333 -0.1333 -0.1148 -0.1148 0.0499 0.0499 1.7326 1.7326 2.5210 2.5210 2.5387 2.5387 2.8672 2.8672 3.5388 3.5388 4.3489 4.3489 4.4070 4.4070 4.5343 4.5343 5.4238 5.4238 5.5479 5.5479 7.9080 7.9080 8.4221 8.4221 8.5296 8.5296 8.5445 8.5445 8.7360 8.7360 k = 0.3103 0.2249 0.0000 ( 5894 PWs) bands (ev): -6.4235 -6.4235 -5.1893 -5.1893 -4.3207 -4.3207 -4.3197 -4.3197 -1.4789 -1.4789 -0.7595 -0.7595 -0.5759 -0.5759 -0.5422 -0.5422 -0.4738 -0.4738 -0.4178 -0.4178 -0.2540 -0.2540 -0.2262 -0.2262 -0.1531 -0.1531 -0.1348 -0.1348 -0.1108 -0.1108 0.0486 0.0486 1.7710 1.7710 2.5559 2.5559 2.5738 2.5738 2.8869 2.8869 3.5924 3.5924 4.3742 4.3742 4.4040 4.4040 4.4647 4.4647 5.3766 5.3766 5.4952 5.4952 7.9470 7.9470 8.3501 8.3501 8.4221 8.4221 8.4365 8.4365 8.7211 8.7211 k = 0.3276 0.2374 0.0000 ( 5890 PWs) bands (ev): -6.3845 -6.3845 -5.2574 -5.2574 -4.3222 -4.3222 -4.3213 -4.3213 -1.4324 -1.4324 -0.7839 -0.7839 -0.5727 -0.5727 -0.5396 -0.5396 -0.4783 -0.4783 -0.4247 -0.4247 -0.2551 -0.2551 -0.2248 -0.2248 -0.1534 -0.1534 -0.1364 -0.1364 -0.1049 -0.1049 0.0467 0.0467 1.8141 1.8141 2.5904 2.5904 2.6085 2.6085 2.8987 2.8987 3.6440 3.6440 4.3349 4.3349 4.3976 4.3976 4.4661 4.4661 5.3353 5.3353 5.4473 5.4473 7.9857 7.9857 8.2795 8.2795 8.3192 8.3192 8.3339 8.3339 8.6667 8.6667 k = 0.3448 0.2499 0.0000 ( 5878 PWs) bands (ev): -6.3436 -6.3436 -5.3252 -5.3252 -4.3236 -4.3236 -4.3228 -4.3228 -1.3877 -1.3877 -0.8089 -0.8089 -0.5693 -0.5693 -0.5366 -0.5366 -0.4828 -0.4828 -0.4316 -0.4316 -0.2559 -0.2559 -0.2243 -0.2243 -0.1538 -0.1538 -0.1379 -0.1379 -0.0972 -0.0972 0.0441 0.0441 1.8620 1.8620 2.6242 2.6242 2.6423 2.6423 2.9011 2.9011 3.6933 3.6933 4.2609 4.2609 4.4173 4.4173 4.4792 4.4792 5.3007 5.3007 5.4050 5.4050 8.0221 8.0221 8.2076 8.2076 8.2228 8.2228 8.2410 8.2410 8.5982 8.5982 k = 0.3621 0.2623 0.0000 ( 5878 PWs) bands (ev): -6.3007 -6.3007 -5.3923 -5.3923 -4.3249 -4.3249 -4.3241 -4.3241 -1.3448 -1.3448 -0.8345 -0.8345 -0.5657 -0.5657 -0.5335 -0.5335 -0.4874 -0.4874 -0.4385 -0.4385 -0.2563 -0.2563 -0.2248 -0.2248 -0.1543 -0.1543 -0.1395 -0.1395 -0.0883 -0.0883 0.0408 0.0408 1.9146 1.9146 2.6565 2.6565 2.6747 2.6747 2.8927 2.8927 3.7397 3.7397 4.1959 4.1959 4.4334 4.4334 4.4896 4.4896 5.2734 5.2734 5.3687 5.3687 8.0523 8.0523 8.1258 8.1258 8.1345 8.1345 8.1684 8.1684 8.5350 8.5350 k = 0.3793 0.2748 0.0000 ( 5870 PWs) bands (ev): -6.2560 -6.2560 -5.4588 -5.4588 -4.3260 -4.3260 -4.3254 -4.3254 -1.3037 -1.3037 -0.8605 -0.8605 -0.5620 -0.5620 -0.5302 -0.5302 -0.4919 -0.4919 -0.4455 -0.4455 -0.2562 -0.2562 -0.2261 -0.2261 -0.1546 -0.1546 -0.1412 -0.1412 -0.0785 -0.0785 0.0369 0.0369 1.9716 1.9716 2.6866 2.6866 2.7051 2.7051 2.8729 2.8729 3.7828 3.7828 4.1420 4.1420 4.4456 4.4456 4.4956 4.4956 5.2536 5.2536 5.3387 5.3387 8.0436 8.0436 8.0516 8.0516 8.0696 8.0696 8.1134 8.1134 8.4899 8.4899 k = 0.3966 0.2873 0.0000 ( 5858 PWs) bands (ev): -6.2094 -6.2094 -5.5243 -5.5243 -4.3271 -4.3271 -4.3265 -4.3265 -1.2643 -1.2643 -0.8871 -0.8871 -0.5581 -0.5581 -0.5269 -0.5269 -0.4962 -0.4962 -0.4524 -0.4524 -0.2557 -0.2557 -0.2280 -0.2280 -0.1546 -0.1546 -0.1427 -0.1427 -0.0682 -0.0682 0.0323 0.0323 2.0327 2.0327 2.7130 2.7130 2.7328 2.7328 2.8428 2.8428 3.8222 3.8222 4.0990 4.0990 4.4540 4.4540 4.4972 4.4972 5.2409 5.2409 5.3148 5.3148 7.9692 7.9692 7.9765 7.9765 8.0538 8.0538 8.0823 8.0823 8.4717 8.4717 k = 0.4138 0.2998 0.0000 ( 5878 PWs) bands (ev): -6.1611 -6.1611 -5.5889 -5.5889 -4.3280 -4.3280 -4.3275 -4.3275 -1.2265 -1.2265 -0.9142 -0.9142 -0.5541 -0.5541 -0.5239 -0.5239 -0.4999 -0.4999 -0.4593 -0.4593 -0.2548 -0.2548 -0.2304 -0.2304 -0.1545 -0.1545 -0.1443 -0.1443 -0.0577 -0.0577 0.0271 0.0271 2.0976 2.0976 2.7307 2.7307 2.7573 2.7573 2.8074 2.8074 3.8577 3.8577 4.0658 4.0658 4.4592 4.4592 4.4950 4.4950 5.2345 5.2345 5.2963 5.2963 7.9040 7.9040 7.9104 7.9104 8.0169 8.0169 8.0628 8.0628 8.4827 8.4827 k = 0.4310 0.3123 0.0000 ( 5894 PWs) bands (ev): -6.1109 -6.1109 -5.6524 -5.6524 -4.3287 -4.3287 -4.3283 -4.3283 -1.1903 -1.1903 -0.9418 -0.9418 -0.5499 -0.5499 -0.5220 -0.5220 -0.5023 -0.5023 -0.4660 -0.4660 -0.2535 -0.2535 -0.2331 -0.2331 -0.1542 -0.1542 -0.1459 -0.1459 -0.0473 -0.0473 0.0211 0.0211 2.1659 2.1659 2.7174 2.7174 2.7778 2.7778 2.7902 2.7902 3.8890 3.8890 4.0407 4.0407 4.4619 4.4619 4.4903 4.4903 5.2330 5.2330 5.2824 5.2824 7.8493 7.8493 7.8546 7.8546 7.9852 7.9852 8.0353 8.0353 8.5171 8.5171 k = 0.4483 0.3248 0.0000 ( 5894 PWs) bands (ev): -6.0591 -6.0591 -5.7147 -5.7147 -4.3293 -4.3293 -4.3290 -4.3290 -1.1555 -1.1555 -0.9699 -0.9699 -0.5456 -0.5456 -0.5222 -0.5222 -0.5022 -0.5022 -0.4726 -0.4726 -0.2517 -0.2517 -0.2360 -0.2360 -0.1537 -0.1537 -0.1473 -0.1473 -0.0370 -0.0370 0.0146 0.0146 2.2369 2.2369 2.6664 2.6664 2.7938 2.7938 2.7988 2.7988 3.9162 3.9162 4.0213 4.0213 4.4631 4.4631 4.4841 4.4841 5.2350 5.2350 5.2720 5.2720 7.8059 7.8059 7.8100 7.8100 7.9617 7.9617 8.0054 8.0054 8.5675 8.5675 k = 0.4655 0.3373 0.0000 ( 5922 PWs) bands (ev): -6.0055 -6.0055 -5.7758 -5.7758 -4.3297 -4.3297 -4.3295 -4.3295 -1.1221 -1.1221 -0.9987 -0.9987 -0.5412 -0.5412 -0.5246 -0.5246 -0.4998 -0.4998 -0.4789 -0.4789 -0.2497 -0.2497 -0.2389 -0.2389 -0.1530 -0.1530 -0.1487 -0.1487 -0.0272 -0.0272 0.0074 0.0074 2.3100 2.3100 2.6020 2.6020 2.8062 2.8062 2.8095 2.8095 3.9394 3.9394 4.0053 4.0053 4.4640 4.4640 4.4778 4.4778 5.2393 5.2393 5.2638 5.2638 7.7745 7.7745 7.7773 7.7773 7.9470 7.9470 7.9785 7.9785 8.6286 8.6286 k = 0.4828 0.3498 0.0000 ( 5910 PWs) bands (ev): -5.9504 -5.9504 -5.8354 -5.8354 -4.3299 -4.3299 -4.3298 -4.3298 -1.0898 -1.0898 -1.0282 -1.0282 -0.5368 -0.5368 -0.5282 -0.5282 -0.4956 -0.4956 -0.4849 -0.4849 -0.2473 -0.2473 -0.2418 -0.2418 -0.1521 -0.1521 -0.1499 -0.1499 -0.0177 -0.0177 -0.0004 -0.0004 2.3842 2.3842 2.5318 2.5318 2.8144 2.8144 2.8161 2.8161 3.9590 3.9590 3.9908 3.9908 4.4655 4.4655 4.4723 4.4723 5.2447 5.2447 5.2569 5.2569 7.7557 7.7557 7.7571 7.7571 7.9416 7.9416 7.9579 7.9579 8.6972 8.6972 k = 0.5000 0.3623 0.0000 ( 5902 PWs) bands (ev): -5.8936 -5.8936 -5.8936 -5.8936 -4.3300 -4.3300 -4.3300 -4.3300 -1.0585 -1.0585 -1.0585 -1.0585 -0.5323 -0.5323 -0.5323 -0.5323 -0.4905 -0.4905 -0.4905 -0.4905 -0.2446 -0.2446 -0.2446 -0.2446 -0.1511 -0.1511 -0.1511 -0.1511 -0.0088 -0.0088 -0.0088 -0.0088 2.4586 2.4586 2.4586 2.4586 2.8178 2.8178 2.8178 2.8178 3.9758 3.9758 3.9758 3.9758 4.4682 4.4682 4.4682 4.4682 5.2507 5.2507 5.2507 5.2507 7.7499 7.7499 7.7499 7.7499 7.9453 7.9453 7.9453 7.9453 8.7716 8.7716 k = 0.5000 0.3623 0.0000 ( 5902 PWs) bands (ev): -5.8936 -5.8936 -5.8936 -5.8936 -4.3300 -4.3300 -4.3300 -4.3300 -1.0585 -1.0585 -1.0585 -1.0585 -0.5323 -0.5323 -0.5323 -0.5323 -0.4905 -0.4905 -0.4905 -0.4905 -0.2446 -0.2446 -0.2446 -0.2446 -0.1511 -0.1511 -0.1511 -0.1511 -0.0088 -0.0088 -0.0088 -0.0088 2.4586 2.4586 2.4586 2.4586 2.8178 2.8178 2.8178 2.8178 3.9758 3.9758 3.9758 3.9758 4.4682 4.4682 4.4682 4.4682 5.2507 5.2507 5.2507 5.2507 7.7499 7.7499 7.7499 7.7499 7.9453 7.9453 7.9453 7.9453 8.7716 8.7716 k = 0.4912 0.3744 0.0150 ( 5902 PWs) bands (ev): -5.8933 -5.8932 -5.8928 -5.8927 -4.3325 -4.3324 -4.3299 -4.3298 -1.0603 -1.0579 -1.0579 -1.0565 -0.5367 -0.5364 -0.5296 -0.5280 -0.4990 -0.4963 -0.4840 -0.4799 -0.2499 -0.2465 -0.2425 -0.2398 -0.1566 -0.1513 -0.1509 -0.1458 -0.0127 -0.0091 -0.0070 -0.0009 2.4477 2.4540 2.4566 2.4619 2.8138 2.8169 2.8172 2.8269 3.9662 3.9705 3.9744 3.9804 4.4625 4.4641 4.4750 4.4764 5.2443 5.2473 5.2514 5.2530 7.7360 7.7441 7.7536 7.7551 7.9500 7.9520 7.9552 7.9641 8.7766 8.7769 k = 0.4824 0.3865 0.0299 ( 5902 PWs) bands (ev): -5.8921 -5.8920 -5.8901 -5.8900 -4.3400 -4.3398 -4.3296 -4.3295 -1.0622 -1.0569 -1.0557 -1.0535 -0.5411 -0.5410 -0.5301 -0.5237 -0.5035 -0.5013 -0.4768 -0.4682 -0.2554 -0.2480 -0.2402 -0.2356 -0.1619 -0.1516 -0.1507 -0.1416 -0.0162 -0.0055 -0.0035 0.0121 2.4301 2.4428 2.4481 2.4571 2.8136 2.8149 2.8163 2.8402 3.9471 3.9550 3.9717 3.9843 4.4529 4.4562 4.4905 4.4933 5.2285 5.2345 5.2548 5.2581 7.7108 7.7231 7.7662 7.7693 7.9660 7.9699 7.9892 8.0030 8.7920 8.7925 k = 0.4737 0.3986 0.0449 ( 5906 PWs) bands (ev): -5.8901 -5.8900 -5.8857 -5.8856 -4.3522 -4.3520 -4.3292 -4.3290 -1.0642 -1.0559 -1.0520 -1.0491 -0.5456 -0.5455 -0.5343 -0.5200 -0.5050 -0.5035 -0.4690 -0.4561 -0.2609 -0.2491 -0.2377 -0.2318 -0.1667 -0.1519 -0.1507 -0.1389 -0.0203 -0.0047 0.0095 0.0302 2.4069 2.4253 2.4335 2.4448 2.8098 2.8111 2.8229 2.8565 3.9187 3.9297 3.9691 3.9883 4.4379 4.4429 4.5144 4.5188 5.2038 5.2128 5.2612 5.2662 7.6832 7.6970 7.7877 7.7924 7.9931 7.9987 8.0365 8.0526 8.8180 8.8187 k = 0.4649 0.4108 0.0599 ( 5906 PWs) bands (ev): -5.8874 -5.8872 -5.8794 -5.8793 -4.3691 -4.3688 -4.3286 -4.3283 -1.0663 -1.0552 -1.0469 -1.0434 -0.5505 -0.5498 -0.5401 -0.5180 -0.5063 -0.5007 -0.4607 -0.4439 -0.2664 -0.2499 -0.2351 -0.2286 -0.1708 -0.1523 -0.1507 -0.1378 -0.0250 -0.0046 0.0303 0.0532 2.3794 2.4021 2.4130 2.4260 2.8041 2.8056 2.8343 2.8751 3.8826 3.8963 3.9665 3.9925 4.4172 4.4240 4.5455 4.5514 5.1707 5.1827 5.2707 5.2775 7.6577 7.6718 7.8179 7.8242 8.0308 8.0381 8.0906 8.1076 8.8547 8.8555 k = 0.4561 0.4229 0.0748 ( 5898 PWs) bands (ev): -5.8841 -5.8838 -5.8714 -5.8713 -4.3901 -4.3898 -4.3278 -4.3275 -1.0687 -1.0549 -1.0406 -1.0365 -0.5558 -0.5538 -0.5456 -0.5189 -0.5040 -0.4971 -0.4521 -0.4320 -0.2717 -0.2502 -0.2327 -0.2257 -0.1743 -0.1527 -0.1508 -0.1379 -0.0302 -0.0051 0.0583 0.0814 2.3486 2.3736 2.3875 2.4019 2.7966 2.7985 2.8493 2.8949 3.8406 3.8564 3.9641 3.9968 4.3906 4.3994 4.5822 4.5896 5.1302 5.1452 5.2834 5.2920 7.6362 7.6500 7.8567 7.8647 8.0787 8.0874 8.1480 8.1652 8.9025 8.9032 k = 0.4473 0.4350 0.0898 ( 5890 PWs) bands (ev): -5.8801 -5.8798 -5.8617 -5.8615 -4.4151 -4.4147 -4.3268 -4.3265 -1.0713 -1.0551 -1.0333 -1.0288 -0.5615 -0.5574 -0.5503 -0.5211 -0.4998 -0.4933 -0.4433 -0.4208 -0.2766 -0.2502 -0.2305 -0.2230 -0.1772 -0.1531 -0.1510 -0.1387 -0.0359 -0.0063 0.0931 0.1148 2.3154 2.3408 2.3575 2.3739 2.7873 2.7896 2.8668 2.9156 3.7940 3.8116 3.9618 4.0013 4.3583 4.3691 4.6231 4.6318 5.0834 5.1012 5.2995 5.3099 7.6196 7.6328 7.9037 7.9136 8.1361 8.1459 8.2066 8.2238 8.9614 8.9618 k = 0.4385 0.4471 0.1047 ( 5886 PWs) bands (ev): -5.8757 -5.8753 -5.8502 -5.8499 -4.4434 -4.4430 -4.3257 -4.3253 -1.0743 -1.0558 -1.0252 -1.0203 -0.5673 -0.5608 -0.5543 -0.5233 -0.4949 -0.4897 -0.4344 -0.4105 -0.2810 -0.2499 -0.2289 -0.2203 -0.1798 -0.1537 -0.1513 -0.1397 -0.0419 -0.0081 0.1341 0.1536 2.2804 2.3043 2.3238 2.3430 2.7761 2.7788 2.8860 2.9366 3.7439 3.7630 3.9597 4.0060 4.3203 4.3332 4.6672 4.6767 5.0315 5.0521 5.3189 5.3311 7.6079 7.6204 7.9588 7.9705 8.2022 8.2129 8.2653 8.2824 9.0309 9.0311 k = 0.4298 0.4592 0.1197 ( 5886 PWs) bands (ev): -5.8709 -5.8705 -5.8369 -5.8367 -4.4747 -4.4742 -4.3245 -4.3239 -1.0776 -1.0571 -1.0166 -1.0114 -0.5729 -0.5638 -0.5579 -0.5253 -0.4897 -0.4863 -0.4255 -0.4013 -0.2851 -0.2491 -0.2279 -0.2175 -0.1820 -0.1544 -0.1518 -0.1406 -0.0482 -0.0105 0.1807 0.1976 2.2442 2.2651 2.2873 2.3100 2.7630 2.7661 2.9064 2.9577 3.6914 3.7115 3.9581 4.0112 4.2769 4.2920 4.7134 4.7229 4.9763 4.9992 5.3417 5.3557 7.6014 7.6131 8.0213 8.0350 8.2761 8.2874 8.3234 8.3403 9.1100 9.1112 k = 0.4210 0.4713 0.1347 ( 5890 PWs) bands (ev): -5.8659 -5.8654 -5.8220 -5.8217 -4.5084 -4.5079 -4.3231 -4.3225 -1.0814 -1.0591 -1.0077 -1.0023 -0.5781 -0.5666 -0.5612 -0.5267 -0.4844 -0.4832 -0.4169 -0.3933 -0.2886 -0.2482 -0.2276 -0.2147 -0.1839 -0.1551 -0.1526 -0.1413 -0.0547 -0.0135 0.2326 0.2466 2.2075 2.2241 2.2488 2.2758 2.7479 2.7513 2.9275 2.9785 3.6370 3.6579 3.9574 4.0170 4.2285 4.2457 4.7600 4.7672 4.9213 4.9444 5.3676 5.3832 7.5997 7.6107 8.0908 8.1065 8.3568 8.3684 8.3807 8.3973 9.1985 9.2010 k = 0.4122 0.4835 0.1496 ( 5894 PWs) bands (ev): -5.8609 -5.8603 -5.8053 -5.8050 -4.5440 -4.5433 -4.3215 -4.3209 -1.0856 -1.0620 -0.9985 -0.9931 -0.5828 -0.5693 -0.5642 -0.5276 -0.4807 -0.4791 -0.4086 -0.3864 -0.2916 -0.2469 -0.2281 -0.2119 -0.1856 -0.1559 -0.1535 -0.1414 -0.0611 -0.0169 0.2890 0.3004 2.1706 2.1820 2.2093 2.2410 2.7308 2.7345 2.9489 2.9988 3.5817 3.6031 3.9577 4.0237 4.1755 4.1948 4.7937 4.8010 4.8826 4.8942 5.3963 5.4135 7.6028 7.6130 8.1665 8.1841 8.4367 8.4436 8.4531 8.4550 9.2951 9.2995 k = 0.4034 0.4956 0.1646 ( 5894 PWs) bands (ev): -5.8560 -5.8555 -5.7870 -5.7866 -4.5807 -4.5801 -4.3199 -4.3192 -1.0906 -1.0658 -0.9894 -0.9839 -0.5871 -0.5719 -0.5671 -0.5278 -0.4786 -0.4739 -0.4006 -0.3807 -0.2941 -0.2455 -0.2294 -0.2091 -0.1872 -0.1568 -0.1548 -0.1410 -0.0673 -0.0207 0.3493 0.3583 2.1340 2.1398 2.1698 2.2061 2.7115 2.7154 2.9702 3.0183 3.5259 3.5475 3.9593 4.0316 4.1186 4.1397 4.7636 4.7991 4.8866 4.8996 5.4275 5.4460 7.6103 7.6197 8.2476 8.2672 8.4924 8.5088 8.5342 8.5450 9.3990 9.4057 k = 0.3946 0.5077 0.1796 ( 5888 PWs) bands (ev): -5.8516 -5.8510 -5.7670 -5.7666 -4.6181 -4.6174 -4.3182 -4.3174 -1.0962 -1.0707 -0.9802 -0.9748 -0.5908 -0.5744 -0.5698 -0.5274 -0.4771 -0.4688 -0.3931 -0.3759 -0.2961 -0.2440 -0.2313 -0.2064 -0.1886 -0.1575 -0.1564 -0.1399 -0.0732 -0.0248 0.4127 0.4196 2.0980 2.0984 2.1313 2.1717 2.6903 2.6942 2.9910 3.0366 3.4701 3.4917 3.9622 4.0408 4.0587 4.0812 4.7065 4.7492 4.9267 4.9430 5.4605 5.4802 7.6220 7.6307 8.3330 8.3547 8.5472 8.5634 8.6277 8.6376 9.5088 9.5185 k = 0.3859 0.5198 0.1945 ( 5894 PWs) bands (ev): -5.8480 -5.8473 -5.7454 -5.7450 -4.6556 -4.6548 -4.3164 -4.3155 -1.1026 -1.0767 -0.9711 -0.9659 -0.5942 -0.5770 -0.5724 -0.5264 -0.4762 -0.4640 -0.3863 -0.3720 -0.2976 -0.2424 -0.2338 -0.2039 -0.1898 -0.1583 -0.1582 -0.1384 -0.0786 -0.0292 0.4782 0.4834 2.0589 2.0630 2.0947 2.1382 2.6672 2.6708 3.0109 3.0533 3.4151 3.4363 3.9621 4.0010 4.0182 4.0532 4.6455 4.6925 4.9742 4.9904 5.4950 5.5156 7.6376 7.6454 8.4215 8.4454 8.6015 8.6174 8.7221 8.7305 9.6235 9.6367 k = 0.3771 0.5319 0.2095 ( 5888 PWs) bands (ev): -5.8453 -5.8446 -5.7222 -5.7217 -4.6923 -4.6915 -4.3145 -4.3136 -1.1100 -1.0841 -0.9622 -0.9572 -0.5972 -0.5795 -0.5748 -0.5248 -0.4760 -0.4594 -0.3801 -0.3688 -0.2987 -0.2409 -0.2369 -0.2015 -0.1909 -0.1605 -0.1589 -0.1362 -0.0833 -0.0335 0.5447 0.5485 2.0225 2.0299 2.0608 2.1058 2.6423 2.6454 3.0296 3.0678 3.3613 3.3818 3.9199 3.9540 3.9853 4.0660 4.5849 4.6363 5.0221 5.0379 5.5301 5.5515 7.6567 7.6638 8.5114 8.5380 8.6556 8.6705 8.8149 8.8212 9.7420 9.7591 k = 0.3683 0.5440 0.2245 ( 5884 PWs) bands (ev): -5.8442 -5.8434 -5.6974 -5.6969 -4.7278 -4.7269 -4.3125 -4.3116 -1.1185 -1.0929 -0.9535 -0.9487 -0.5998 -0.5821 -0.5770 -0.5227 -0.4765 -0.4551 -0.3748 -0.3662 -0.2993 -0.2403 -0.2396 -0.1992 -0.1919 -0.1632 -0.1593 -0.1337 -0.0873 -0.0378 0.6106 0.6135 1.9907 1.9997 2.0303 2.0748 2.6159 2.6182 3.0464 3.0794 3.3092 3.3284 3.8535 3.8872 3.9944 4.0812 4.5270 4.5828 5.0689 5.0840 5.5653 5.5872 7.6792 7.6855 8.6002 8.6308 8.7103 8.7228 8.9030 8.9064 9.8629 9.8844 k = 0.3595 0.5562 0.2394 ( 5888 PWs) bands (ev): -5.8448 -5.8440 -5.6711 -5.6706 -4.7613 -4.7604 -4.3106 -4.3096 -1.1282 -1.1033 -0.9449 -0.9403 -0.6021 -0.5846 -0.5791 -0.5202 -0.4779 -0.4512 -0.3705 -0.3641 -0.2994 -0.2437 -0.2385 -0.1971 -0.1927 -0.1661 -0.1595 -0.1310 -0.0903 -0.0420 0.6743 0.6768 1.9650 1.9734 2.0038 2.0456 2.5882 2.5894 3.0607 3.0872 3.2598 3.2767 3.7836 3.8188 4.0081 4.0981 4.4732 4.5332 5.1137 5.1279 5.5999 5.6220 7.7047 7.7101 8.6832 8.7200 8.7686 8.7758 8.9825 8.9826 9.9829 9.9847 k = 0.3507 0.5683 0.2544 ( 5889 PWs) bands (ev): -5.8476 -5.8467 -5.6433 -5.6428 -4.7922 -4.7913 -4.3086 -4.3076 -1.1392 -1.1153 -0.9364 -0.9321 -0.6042 -0.5872 -0.5809 -0.5174 -0.4801 -0.4476 -0.3673 -0.3624 -0.2992 -0.2468 -0.2378 -0.1954 -0.1934 -0.1692 -0.1594 -0.1282 -0.0922 -0.0459 0.7337 0.7364 1.9473 1.9514 1.9830 2.0182 2.5594 2.5597 3.0717 3.0895 3.2143 3.2271 3.7120 3.7491 4.0248 4.1162 4.4255 4.4889 5.1559 5.1691 5.6330 5.6552 7.7330 7.7373 8.7522 8.7938 8.8363 8.8392 9.0453 9.0495 10.0514 10.0678 k = 0.3420 0.5804 0.2693 ( 5891 PWs) bands (ev): -5.8530 -5.8521 -5.6141 -5.6135 -4.8200 -4.8190 -4.3067 -4.3056 -1.1517 -1.1291 -0.9281 -0.9241 -0.6061 -0.5897 -0.5825 -0.5143 -0.4832 -0.4445 -0.3652 -0.3611 -0.2985 -0.2496 -0.2377 -0.1942 -0.1938 -0.1723 -0.1587 -0.1255 -0.0929 -0.0494 0.7867 0.7900 1.9327 1.9394 1.9712 1.9932 2.5287 2.5308 3.0787 3.0836 3.1752 3.1801 3.6395 3.6785 4.0440 4.1342 4.3862 4.4512 5.1949 5.2068 5.6642 5.6861 7.7636 7.7668 8.8040 8.8426 8.9145 8.9200 9.0918 9.0998 10.1192 10.1345 k = 0.3332 0.5925 0.2843 ( 5891 PWs) bands (ev): -5.8614 -5.8604 -5.5834 -5.5828 -4.8439 -4.8430 -4.3047 -4.3036 -1.1657 -1.1447 -0.9199 -0.9161 -0.6078 -0.5921 -0.5838 -0.5110 -0.4871 -0.4416 -0.3640 -0.3602 -0.2975 -0.2516 -0.2383 -0.1941 -0.1936 -0.1753 -0.1576 -0.1230 -0.0924 -0.0526 0.8309 0.8355 1.9153 1.9412 1.9724 1.9727 2.4975 2.5017 3.0660 3.0799 3.1369 3.1455 3.5665 3.6075 4.0650 4.1497 4.3585 4.4212 5.2301 5.2405 5.6926 5.7141 7.7963 7.7982 8.8432 8.8786 8.9968 9.0042 9.1205 9.1316 10.1950 10.2112 k = 0.3244 0.6046 0.2993 ( 5899 PWs) bands (ev): -5.8730 -5.8720 -5.5514 -5.5508 -4.8637 -4.8628 -4.3028 -4.3017 -1.1815 -1.1622 -0.9118 -0.9081 -0.6095 -0.5944 -0.5848 -0.5077 -0.4919 -0.4391 -0.3637 -0.3596 -0.2962 -0.2530 -0.2396 -0.1943 -0.1937 -0.1777 -0.1559 -0.1207 -0.0907 -0.0554 0.8645 0.8709 1.8988 1.9374 1.9738 1.9887 2.4665 2.4731 3.0379 3.0703 3.1023 3.1243 3.4933 3.5363 4.0872 4.1599 4.3463 4.4002 5.2609 5.2696 5.7176 5.7385 7.8307 7.8311 8.8732 8.9057 9.0786 9.0858 9.1331 9.1457 10.2836 10.3016 k = 0.3156 0.6167 0.3142 ( 5891 PWs) bands (ev): -5.8880 -5.8870 -5.5181 -5.5174 -4.8790 -4.8780 -4.3009 -4.2998 -1.1991 -1.1816 -0.9038 -0.9002 -0.6110 -0.5965 -0.5854 -0.5045 -0.4974 -0.4368 -0.3640 -0.3593 -0.2947 -0.2537 -0.2417 -0.1946 -0.1944 -0.1792 -0.1538 -0.1185 -0.0880 -0.0578 0.8863 0.8949 1.8836 1.9199 2.0055 2.0206 2.4363 2.4454 3.0049 3.0425 3.0835 3.1057 3.4204 3.4654 4.1096 4.1630 4.3514 4.3893 5.2868 5.2937 5.7386 5.7588 7.8651 7.8664 8.8954 8.9247 9.1290 9.1435 9.1597 9.1678 10.3856 10.4055 k = 0.3156 0.6167 0.3142 ( 5891 PWs) bands (ev): -5.8880 -5.8870 -5.5181 -5.5174 -4.8790 -4.8780 -4.3009 -4.2998 -1.1991 -1.1816 -0.9038 -0.9002 -0.6110 -0.5965 -0.5854 -0.5045 -0.4974 -0.4368 -0.3640 -0.3593 -0.2947 -0.2537 -0.2417 -0.1946 -0.1944 -0.1792 -0.1538 -0.1185 -0.0880 -0.0578 0.8863 0.8949 1.8836 1.9199 2.0055 2.0206 2.4363 2.4454 3.0049 3.0425 3.0835 3.1057 3.4204 3.4654 4.1096 4.1630 4.3514 4.3893 5.2868 5.2937 5.7386 5.7588 7.8651 7.8664 8.8954 8.9247 9.1290 9.1435 9.1597 9.1678 10.3856 10.4055 k = 0.2971 0.6114 0.3208 ( 5892 PWs) bands (ev): -5.8978 -5.8968 -5.5011 -5.5004 -4.8830 -4.8820 -4.3006 -4.2994 -1.2088 -1.1924 -0.8998 -0.8960 -0.6117 -0.5975 -0.5855 -0.5053 -0.4982 -0.4353 -0.3648 -0.3590 -0.2939 -0.2539 -0.2430 -0.1964 -0.1935 -0.1798 -0.1525 -0.1174 -0.0876 -0.0573 0.8912 0.9020 1.8766 1.9103 2.0269 2.0418 2.4198 2.4305 2.9870 3.0230 3.0744 3.1037 3.3939 3.4416 4.1170 4.1625 4.3587 4.3892 5.2892 5.2969 5.7507 5.7698 7.8843 7.8868 8.9008 8.9281 9.1128 9.1268 9.2094 9.2182 10.4339 10.4547 k = 0.2785 0.6061 0.3274 ( 5894 PWs) bands (ev): -5.9113 -5.9103 -5.4816 -5.4810 -4.8831 -4.8821 -4.3012 -4.3000 -1.2215 -1.2063 -0.8951 -0.8906 -0.6123 -0.5986 -0.5857 -0.5101 -0.4955 -0.4329 -0.3665 -0.3587 -0.2929 -0.2540 -0.2446 -0.1986 -0.1924 -0.1804 -0.1504 -0.1159 -0.0890 -0.0540 0.8929 0.9072 1.8707 1.9012 2.0516 2.0655 2.3974 2.4103 2.9643 2.9924 3.0683 3.1039 3.3816 3.4333 4.1198 4.1616 4.3675 4.3934 5.2785 5.2885 5.7681 5.7848 7.9116 7.9159 8.9014 8.9259 9.0939 9.1080 9.2687 9.2775 10.4795 10.5016 k = 0.2599 0.6008 0.3340 ( 5894 PWs) bands (ev): -5.9269 -5.9260 -5.4616 -5.4610 -4.8791 -4.8781 -4.3029 -4.3017 -1.2366 -1.2228 -0.8900 -0.8846 -0.6127 -0.5997 -0.5860 -0.5163 -0.4916 -0.4299 -0.3685 -0.3586 -0.2919 -0.2543 -0.2464 -0.2010 -0.1912 -0.1809 -0.1481 -0.1140 -0.0907 -0.0487 0.8928 0.9106 1.8673 1.8947 2.0763 2.0884 2.3704 2.3861 2.9358 2.9502 3.0712 3.1029 3.3851 3.4389 4.1181 4.1601 4.3774 4.4011 5.2582 5.2705 5.7866 5.7999 7.9467 7.9534 8.8997 8.9208 9.0781 9.0922 9.3336 9.3430 10.5176 10.5417 k = 0.2414 0.5954 0.3406 ( 5896 PWs) bands (ev): -5.9435 -5.9427 -5.4427 -5.4421 -4.8706 -4.8696 -4.3058 -4.3046 -1.2537 -1.2413 -0.8846 -0.8784 -0.6131 -0.6008 -0.5863 -0.5232 -0.4872 -0.4265 -0.3707 -0.3588 -0.2911 -0.2553 -0.2478 -0.2037 -0.1901 -0.1810 -0.1459 -0.1122 -0.0910 -0.0424 0.8917 0.9127 1.8662 1.8909 2.0988 2.1086 2.3407 2.3600 2.8999 2.9011 3.0813 3.1057 3.4016 3.4547 4.1126 4.1574 4.3885 4.4122 5.2312 5.2455 5.8024 5.8117 7.9892 7.9986 8.8986 8.9168 9.0651 9.0790 9.4046 9.4154 10.5475 10.5734 k = 0.2228 0.5901 0.3471 ( 5895 PWs) bands (ev): -5.9604 -5.9596 -5.4257 -5.4252 -4.8577 -4.8567 -4.3101 -4.3088 -1.2723 -1.2612 -0.8792 -0.8723 -0.6133 -0.6020 -0.5868 -0.5304 -0.4823 -0.4229 -0.3731 -0.3594 -0.2906 -0.2575 -0.2484 -0.2065 -0.1889 -0.1809 -0.1441 -0.1116 -0.0884 -0.0354 0.8903 0.9137 1.8668 1.8892 2.1172 2.1247 2.3105 2.3338 2.8492 2.8577 3.0964 3.1158 3.4270 3.4776 4.1040 4.1529 4.4016 4.4263 5.1995 5.2156 5.8122 5.8181 8.0384 8.0511 8.9006 8.9179 9.0544 9.0677 9.4817 9.4945 10.5691 10.5961 k = 0.2042 0.5848 0.3537 ( 5893 PWs) bands (ev): -5.9768 -5.9762 -5.4113 -5.4109 -4.8404 -4.8393 -4.3158 -4.3146 -1.2918 -1.2820 -0.8739 -0.8666 -0.6135 -0.6031 -0.5873 -0.5376 -0.4770 -0.4194 -0.3755 -0.3603 -0.2903 -0.2606 -0.2483 -0.2094 -0.1877 -0.1804 -0.1428 -0.1124 -0.0825 -0.0282 0.8892 0.9143 1.8681 1.8889 2.1291 2.1366 2.2821 2.3098 2.7977 2.8122 3.1152 3.1335 3.4576 3.5049 4.0932 4.1461 4.4173 4.4433 5.1646 5.1824 5.8130 5.8189 8.0940 8.1102 8.9076 8.9270 9.0454 9.0578 9.5647 9.5799 10.5820 10.6087 k = 0.1857 0.5795 0.3603 ( 5890 PWs) bands (ev): -5.9926 -5.9920 -5.3996 -5.3992 -4.8191 -4.8181 -4.3231 -4.3218 -1.3117 -1.3031 -0.8688 -0.8613 -0.6135 -0.6041 -0.5878 -0.5447 -0.4714 -0.4158 -0.3780 -0.3615 -0.2904 -0.2643 -0.2477 -0.2122 -0.1865 -0.1798 -0.1418 -0.1139 -0.0742 -0.0209 0.8887 0.9147 1.8695 1.8892 2.1316 2.1439 2.2580 2.2898 2.7488 2.7665 3.1374 3.1569 3.4905 3.5342 4.0811 4.1372 4.4360 4.4629 5.1277 5.1471 5.8038 5.8133 8.1555 8.1754 8.9208 8.9446 9.0375 9.0490 9.6529 9.6708 10.5862 10.6106 k = 0.1671 0.5741 0.3669 ( 5893 PWs) bands (ev): -6.0073 -6.0067 -5.3905 -5.3902 -4.7944 -4.7933 -4.3320 -4.3308 -1.3316 -1.3242 -0.8641 -0.8565 -0.6134 -0.6051 -0.5885 -0.5515 -0.4657 -0.4126 -0.3804 -0.3629 -0.2907 -0.2680 -0.2470 -0.2151 -0.1853 -0.1789 -0.1410 -0.1157 -0.0644 -0.0138 0.8891 0.9151 1.8700 1.8895 2.1251 2.1448 2.2403 2.2752 2.7040 2.7228 3.1630 3.1842 3.5236 3.5634 4.0689 4.1269 4.4578 4.4847 5.0897 5.1110 5.7862 5.8000 8.2222 8.2458 8.9403 8.9698 9.0306 9.0412 9.7453 9.7661 10.5829 10.6038 k = 0.1485 0.5688 0.3734 ( 5899 PWs) bands (ev): -6.0208 -6.0203 -5.3838 -5.3836 -4.7670 -4.7659 -4.3427 -4.3415 -1.3511 -1.3446 -0.8597 -0.8524 -0.6132 -0.6060 -0.5891 -0.5579 -0.4599 -0.4096 -0.3827 -0.3646 -0.2911 -0.2717 -0.2462 -0.2179 -0.1842 -0.1781 -0.1403 -0.1175 -0.0538 -0.0070 0.8904 0.9157 1.8694 1.8889 2.1116 2.1385 2.2294 2.2663 2.6641 2.6827 3.1914 3.2141 3.5547 3.5904 4.0583 4.1165 4.4824 4.5081 5.0514 5.0750 5.7614 5.7791 8.2937 8.3210 8.9646 9.0004 9.0248 9.0347 9.8401 9.8640 10.5738 10.5917 k = 0.1300 0.5635 0.3800 ( 5891 PWs) bands (ev): -6.0329 -6.0325 -5.3790 -5.3788 -4.7375 -4.7365 -4.3552 -4.3539 -1.3695 -1.3640 -0.8557 -0.8488 -0.6129 -0.6067 -0.5898 -0.5639 -0.4541 -0.4072 -0.3848 -0.3664 -0.2917 -0.2752 -0.2452 -0.2206 -0.1830 -0.1772 -0.1396 -0.1193 -0.0430 -0.0007 0.8926 0.9164 1.8675 1.8869 2.0949 2.1262 2.2238 2.2615 2.6295 2.6471 3.2219 3.2457 3.5817 3.6128 4.0512 4.1073 4.5089 4.5322 5.0141 5.0403 5.7308 5.7518 8.3692 8.4001 8.9899 9.0183 9.0299 9.0367 9.9344 9.9616 10.5603 10.5759 k = 0.1114 0.5581 0.3866 ( 5895 PWs) bands (ev): -6.0436 -6.0432 -5.3758 -5.3756 -4.7069 -4.7059 -4.3694 -4.3682 -1.3864 -1.3818 -0.8521 -0.8459 -0.6125 -0.6073 -0.5904 -0.5693 -0.4483 -0.4055 -0.3863 -0.3683 -0.2922 -0.2784 -0.2441 -0.2232 -0.1819 -0.1765 -0.1388 -0.1210 -0.0322 0.0048 0.8956 0.9173 1.8645 1.8832 2.0779 2.1102 2.2220 2.2593 2.6001 2.6164 3.2538 3.2782 3.6027 3.6285 4.0491 4.1009 4.5361 4.5558 4.9791 5.0080 5.6963 5.7196 8.4478 8.4819 9.0046 9.0150 9.0373 9.0689 10.0229 10.0532 10.5420 10.5543 k = 0.0928 0.5528 0.3932 ( 5909 PWs) bands (ev): -6.0527 -6.0524 -5.3737 -5.3735 -4.6759 -4.6749 -4.3854 -4.3842 -1.4015 -1.3978 -0.8490 -0.8436 -0.6120 -0.6078 -0.5909 -0.5742 -0.4427 -0.4050 -0.3871 -0.3704 -0.2926 -0.2813 -0.2430 -0.2257 -0.1808 -0.1760 -0.1378 -0.1227 -0.0220 0.0093 0.8991 0.9182 1.8609 1.8780 2.0624 2.0927 2.2229 2.2582 2.5758 2.5907 3.2864 3.3106 3.6160 3.6362 4.0530 4.0982 4.5621 4.5778 4.9480 4.9793 5.6605 5.6846 8.5281 8.5652 9.0043 9.0113 9.0567 9.0974 10.0957 10.1278 10.5204 10.5275 k = 0.0743 0.5475 0.3998 ( 5905 PWs) bands (ev): -6.0603 -6.0600 -5.3724 -5.3722 -4.6453 -4.6443 -4.4028 -4.4016 -1.4143 -1.4114 -0.8464 -0.8418 -0.6115 -0.6082 -0.5912 -0.5785 -0.4373 -0.4058 -0.3869 -0.3724 -0.2928 -0.2838 -0.2418 -0.2281 -0.1797 -0.1757 -0.1367 -0.1244 -0.0126 0.0128 0.9030 0.9188 1.8573 1.8720 2.0493 2.0753 2.2259 2.2575 2.5563 2.5696 3.3186 3.3417 3.6210 3.6362 4.0624 4.0993 4.5847 4.5967 4.9230 4.9551 5.6259 5.6492 8.6082 8.6476 9.0004 9.0076 9.0736 9.1171 10.1397 10.1693 10.5091 10.5141 k = 0.0557 0.5422 0.4063 ( 5905 PWs) bands (ev): -6.0662 -6.0660 -5.3716 -5.3715 -4.6161 -4.6151 -4.4212 -4.4201 -1.4246 -1.4224 -0.8441 -0.8407 -0.6110 -0.6085 -0.5913 -0.5822 -0.4321 -0.4078 -0.3858 -0.3745 -0.2928 -0.2861 -0.2405 -0.2303 -0.1787 -0.1756 -0.1354 -0.1260 -0.0042 0.0149 0.9068 0.9191 1.8542 1.8657 2.0392 2.0595 2.2305 2.2565 2.5417 2.5529 3.3493 3.3699 3.6187 3.6302 4.0752 4.1030 4.6020 4.6113 4.9058 4.9361 5.5957 5.6160 8.6856 8.7260 8.9954 9.0040 9.0825 9.1246 10.1513 10.1738 10.5106 10.5147 k = 0.0371 0.5368 0.4129 ( 5906 PWs) bands (ev): -6.0704 -6.0703 -5.3712 -5.3712 -4.5899 -4.5890 -4.4393 -4.4384 -1.4320 -1.4305 -0.8424 -0.8400 -0.6104 -0.6088 -0.5911 -0.5852 -0.4271 -0.4107 -0.3843 -0.3765 -0.2924 -0.2880 -0.2391 -0.2323 -0.1779 -0.1757 -0.1340 -0.1277 0.0028 0.0156 0.9105 0.9188 1.8522 1.8601 2.0326 2.0464 2.2361 2.2546 2.5320 2.5402 3.3764 3.3926 3.6122 3.6210 4.0886 4.1070 4.6134 4.6206 4.8975 4.9216 5.5727 5.5879 8.7563 8.7943 8.9896 9.0003 9.0834 9.1187 10.1449 10.1593 10.5124 10.5154 k = 0.0186 0.5315 0.4195 ( 5900 PWs) bands (ev): -6.0729 -6.0729 -5.3711 -5.3710 -4.5696 -4.5690 -4.4544 -4.4538 -1.4364 -1.4356 -0.8411 -0.8399 -0.6099 -0.6091 -0.5905 -0.5876 -0.4225 -0.4142 -0.3825 -0.3786 -0.2918 -0.2896 -0.2376 -0.2342 -0.1771 -0.1760 -0.1325 -0.1293 0.0084 0.0148 0.9136 0.9179 1.8517 1.8557 2.0299 2.0368 2.2419 2.2516 2.5272 2.5315 3.3972 3.4064 3.6064 3.6116 4.0998 4.1090 4.6203 4.6245 4.8971 4.9106 5.5595 5.5677 8.8142 8.8407 8.9852 8.9951 9.0819 9.1030 10.1368 10.1438 10.5129 10.5144 k = 0.0000 0.5262 0.4261 ( 5902 PWs) bands (ev): -6.0738 -6.0738 -5.3710 -5.3710 -4.5611 -4.5611 -4.4606 -4.4606 -1.4376 -1.4376 -0.8402 -0.8402 -0.6095 -0.6095 -0.5893 -0.5893 -0.4181 -0.4181 -0.3806 -0.3806 -0.2909 -0.2909 -0.2360 -0.2360 -0.1764 -0.1764 -0.1309 -0.1309 0.0124 0.0124 0.9161 0.9161 1.8528 1.8528 2.0312 2.0312 2.2473 2.2473 2.5271 2.5271 3.4081 3.4081 3.6059 3.6059 4.1068 4.1068 4.6240 4.6240 4.9022 4.9022 5.5578 5.5578 8.8477 8.8477 8.9880 8.9880 9.0876 9.0876 10.1357 10.1357 10.5133 10.5133 k = 0.0000 0.5262 0.4261 ( 5902 PWs) bands (ev): -6.0738 -6.0738 -5.3710 -5.3710 -4.5611 -4.5611 -4.4606 -4.4606 -1.4376 -1.4376 -0.8402 -0.8402 -0.6095 -0.6095 -0.5893 -0.5893 -0.4181 -0.4181 -0.3806 -0.3806 -0.2909 -0.2909 -0.2360 -0.2360 -0.1764 -0.1764 -0.1309 -0.1309 0.0124 0.0124 0.9161 0.9161 1.8528 1.8528 2.0312 2.0312 2.2473 2.2473 2.5271 2.5271 3.4081 3.4081 3.6059 3.6059 4.1068 4.1068 4.6240 4.6240 4.9022 4.9022 5.5578 5.5578 8.8477 8.8477 8.9880 8.9880 9.0876 9.0876 10.1357 10.1357 10.5133 10.5133 k = 0.0086 0.5143 0.4408 ( 5902 PWs) bands (ev): -6.0730 -6.0730 -5.3707 -5.3707 -4.5620 -4.5620 -4.4610 -4.4609 -1.4372 -1.4365 -0.8412 -0.8394 -0.6100 -0.6088 -0.5895 -0.5889 -0.4210 -0.4156 -0.3808 -0.3803 -0.2911 -0.2906 -0.2371 -0.2348 -0.1767 -0.1763 -0.1327 -0.1293 0.0109 0.0125 0.9092 0.9129 1.8450 1.8507 2.0297 2.0307 2.2527 2.2540 2.5228 2.5275 3.4112 3.4120 3.6105 3.6117 4.1082 4.1125 4.6236 4.6280 4.9030 4.9031 5.5559 5.5582 8.8465 8.8478 8.9813 8.9836 9.0866 9.0877 10.1396 10.1414 10.5149 10.5155 k = 0.0172 0.5024 0.4555 ( 5908 PWs) bands (ev): -6.0708 -6.0707 -5.3699 -5.3698 -4.5647 -4.5646 -4.4620 -4.4619 -1.4355 -1.4340 -0.8423 -0.8387 -0.6105 -0.6082 -0.5896 -0.5884 -0.4242 -0.4135 -0.3811 -0.3800 -0.2912 -0.2902 -0.2381 -0.2336 -0.1771 -0.1762 -0.1346 -0.1277 0.0079 0.0111 0.8927 0.8998 1.8279 1.8384 2.0257 2.0274 2.2700 2.2729 2.5152 2.5246 3.4210 3.4226 3.6250 3.6276 4.1164 4.1251 4.6266 4.6355 4.9055 4.9057 5.5525 5.5572 8.8444 8.8469 8.9639 8.9686 9.0850 9.0871 10.1526 10.1558 10.5203 10.5214 k = 0.0259 0.4905 0.4702 ( 5908 PWs) bands (ev): -6.0671 -6.0670 -5.3685 -5.3683 -4.5691 -4.5689 -4.4636 -4.4635 -1.4323 -1.4301 -0.8436 -0.8382 -0.6108 -0.6074 -0.5895 -0.5876 -0.4276 -0.4118 -0.3814 -0.3797 -0.2911 -0.2898 -0.2391 -0.2324 -0.1777 -0.1762 -0.1365 -0.1263 0.0037 0.0084 0.8675 0.8777 1.8023 1.8167 2.0179 2.0199 2.2979 2.3028 2.5067 2.5208 3.4372 3.4397 3.6483 3.6523 4.1314 4.1444 4.6330 4.6465 4.9099 4.9103 5.5476 5.5546 8.8409 8.8448 8.9374 8.9444 9.0831 9.0860 10.1726 10.1769 10.5291 10.5308 k = 0.0345 0.4786 0.4849 ( 5898 PWs) bands (ev): -6.0619 -6.0617 -5.3665 -5.3663 -4.5752 -4.5749 -4.4659 -4.4657 -1.4277 -1.4247 -0.8450 -0.8378 -0.6111 -0.6066 -0.5892 -0.5867 -0.4314 -0.4105 -0.3818 -0.3793 -0.2910 -0.2893 -0.2400 -0.2311 -0.1783 -0.1764 -0.1385 -0.1250 -0.0017 0.0045 0.8351 0.8480 1.7694 1.7866 2.0043 2.0063 2.3348 2.3422 2.5002 2.5194 3.4595 3.4628 3.6784 3.6839 4.1526 4.1700 4.6426 4.6608 4.9165 4.9170 5.5411 5.5506 8.8355 8.8410 8.9045 8.9136 9.0812 9.0847 10.1968 10.2017 10.5404 10.5421 k = 0.0431 0.4667 0.4995 ( 5902 PWs) bands (ev): -6.0552 -6.0550 -5.3641 -5.3639 -4.5828 -4.5824 -4.4688 -4.4686 -1.4217 -1.4180 -0.8466 -0.8376 -0.6112 -0.6059 -0.5888 -0.5855 -0.4354 -0.4097 -0.3821 -0.3788 -0.2907 -0.2888 -0.2408 -0.2298 -0.1792 -0.1766 -0.1406 -0.1239 -0.0082 -0.0007 0.7970 0.8121 1.7300 1.7493 1.9832 1.9851 2.3788 2.3893 2.4990 2.5235 3.4874 3.4914 3.7131 3.7204 4.1796 4.2013 4.6553 4.6784 4.9258 4.9264 5.5331 5.5450 8.8254 8.8335 8.8700 8.8805 9.0796 9.0833 10.2223 10.2270 10.5438 10.5486 k = 0.0517 0.4548 0.5142 ( 5900 PWs) bands (ev): -6.0470 -6.0468 -5.3613 -5.3611 -4.5919 -4.5915 -4.4724 -4.4722 -1.4143 -1.4098 -0.8484 -0.8375 -0.6112 -0.6051 -0.5884 -0.5841 -0.4397 -0.4095 -0.3825 -0.3782 -0.2902 -0.2883 -0.2416 -0.2286 -0.1802 -0.1770 -0.1427 -0.1229 -0.0154 -0.0067 0.7549 0.7717 1.6853 1.7059 1.9537 1.9556 2.4275 2.4421 2.5054 2.5360 3.5206 3.5250 3.7505 3.7597 4.2117 4.2378 4.6706 4.6987 4.9383 4.9391 5.5235 5.5379 8.8019 8.8149 8.8449 8.8545 9.0782 9.0819 10.2462 10.2494 10.4961 10.5260 k = 0.0603 0.4429 0.5289 ( 5904 PWs) bands (ev): -6.0374 -6.0371 -5.3582 -5.3579 -4.6024 -4.6019 -4.4767 -4.4764 -1.4055 -1.4003 -0.8504 -0.8377 -0.6111 -0.6043 -0.5878 -0.5824 -0.4443 -0.4098 -0.3828 -0.3774 -0.2896 -0.2878 -0.2423 -0.2273 -0.1814 -0.1776 -0.1448 -0.1222 -0.0233 -0.0135 0.7100 0.7282 1.6360 1.6576 1.9159 1.9178 2.4783 2.4978 2.5217 2.5590 3.5587 3.5634 3.7884 3.7998 4.2481 4.2786 4.6883 4.7215 4.9546 4.9556 5.5124 5.5293 8.7640 8.7814 8.8321 8.8414 9.0772 9.0805 10.2649 10.2649 10.4237 10.4652 k = 0.0690 0.4310 0.5436 ( 5890 PWs) bands (ev): -6.0264 -6.0261 -5.3549 -5.3545 -4.6140 -4.6135 -4.4816 -4.4813 -1.3954 -1.3894 -0.8525 -0.8380 -0.6108 -0.6035 -0.5872 -0.5806 -0.4491 -0.4107 -0.3831 -0.3764 -0.2888 -0.2873 -0.2428 -0.2260 -0.1828 -0.1783 -0.1469 -0.1217 -0.0316 -0.0209 0.6635 0.6828 1.5833 1.6056 1.8708 1.8728 2.5282 2.5403 2.5621 2.5941 3.6017 3.6064 3.8252 3.8390 4.2880 4.3229 4.7080 4.7461 4.9751 4.9767 5.4997 5.5194 8.7221 8.7428 8.8228 8.8328 9.0764 9.0791 10.2642 10.2667 10.3568 10.4027 k = 0.0776 0.4191 0.5583 ( 5892 PWs) bands (ev): -6.0140 -6.0136 -5.3515 -5.3511 -4.6267 -4.6261 -4.4872 -4.4868 -1.3840 -1.3772 -0.8548 -0.8386 -0.6104 -0.6027 -0.5865 -0.5786 -0.4542 -0.4121 -0.3833 -0.3752 -0.2879 -0.2868 -0.2433 -0.2248 -0.1845 -0.1792 -0.1490 -0.1215 -0.0401 -0.0285 0.6166 0.6366 1.5280 1.5506 1.8198 1.8221 2.5731 2.5758 2.6214 2.6405 3.6493 3.6537 3.8594 3.8758 4.3305 4.3699 4.7294 4.7720 5.0004 5.0030 5.4857 5.5082 8.6806 8.7045 8.8140 8.8245 9.0758 9.0777 10.2164 10.2268 10.3342 10.3667 k = 0.0862 0.4072 0.5730 ( 5892 PWs) bands (ev): -6.0002 -5.9998 -5.3482 -5.3478 -4.6401 -4.6395 -4.4935 -4.4931 -1.3714 -1.3638 -0.8574 -0.8394 -0.6098 -0.6020 -0.5858 -0.5765 -0.4595 -0.4140 -0.3835 -0.3739 -0.2868 -0.2864 -0.2438 -0.2236 -0.1864 -0.1803 -0.1511 -0.1216 -0.0486 -0.0363 0.5699 0.5903 1.4709 1.4937 1.7645 1.7670 2.6115 2.6232 2.6819 2.6941 3.7013 3.7051 3.8901 3.9090 4.3748 4.4185 4.7523 4.7988 5.0306 5.0347 5.4704 5.4958 8.6412 8.6683 8.8047 8.8155 9.0749 9.0760 10.1328 10.1540 10.3388 10.3581 k = 0.0948 0.3953 0.5877 ( 5894 PWs) bands (ev): -5.9851 -5.9846 -5.3451 -5.3447 -4.6541 -4.6535 -4.5005 -4.5000 -1.3576 -1.3491 -0.8603 -0.8405 -0.6091 -0.6013 -0.5851 -0.5742 -0.4651 -0.4163 -0.3837 -0.3725 -0.2861 -0.2855 -0.2441 -0.2225 -0.1886 -0.1817 -0.1531 -0.1221 -0.0569 -0.0439 0.5242 0.5448 1.4128 1.4357 1.7062 1.7090 2.6555 2.6727 2.7417 2.7508 3.7574 3.7604 3.9164 3.9378 4.4199 4.4679 4.7765 4.8262 5.0656 5.0715 5.4541 5.4827 8.6050 8.6353 8.7948 8.8056 9.0735 9.0738 10.0418 10.0674 10.3458 10.3524 k = 0.1034 0.3834 0.6024 ( 5892 PWs) bands (ev): -5.9687 -5.9682 -5.3426 -5.3420 -4.6684 -4.6677 -4.5082 -4.5077 -1.3426 -1.3332 -0.8635 -0.8419 -0.6083 -0.6006 -0.5843 -0.5719 -0.4709 -0.4188 -0.3837 -0.3711 -0.2857 -0.2840 -0.2445 -0.2215 -0.1911 -0.1834 -0.1551 -0.1231 -0.0649 -0.0510 0.4801 0.5005 1.3545 1.3772 1.6461 1.6492 2.7042 2.7249 2.8001 2.8081 3.8171 3.8189 3.9379 3.9619 4.4649 4.5171 4.8021 4.8543 5.1048 5.1130 5.4371 5.4692 8.5724 8.6059 8.7842 8.7944 9.0708 9.0711 9.9487 9.9759 10.3094 10.3446 k = 0.1121 0.3715 0.6171 ( 5886 PWs) bands (ev): -5.9510 -5.9504 -5.3407 -5.3401 -4.6827 -4.6820 -4.5165 -4.5159 -1.3265 -1.3162 -0.8670 -0.8437 -0.6074 -0.5999 -0.5834 -0.5695 -0.4769 -0.4215 -0.3837 -0.3696 -0.2855 -0.2824 -0.2448 -0.2207 -0.1938 -0.1853 -0.1570 -0.1247 -0.0723 -0.0576 0.4380 0.4579 1.2967 1.3191 1.5852 1.5884 2.7568 2.7799 2.8565 2.8647 3.8792 3.8796 3.9549 3.9815 4.5093 4.5654 4.8291 4.8832 5.1473 5.1580 5.4200 5.4558 8.5440 8.5805 8.7725 8.7818 9.0664 9.0673 9.8551 9.8828 10.2413 10.2850 k = 0.1207 0.3596 0.6318 ( 5884 PWs) bands (ev): -5.9321 -5.9315 -5.3397 -5.3391 -4.6966 -4.6959 -4.5255 -4.5249 -1.3094 -1.2982 -0.8709 -0.8459 -0.6064 -0.5993 -0.5826 -0.5672 -0.4831 -0.4242 -0.3836 -0.3681 -0.2853 -0.2806 -0.2451 -0.2200 -0.1967 -0.1875 -0.1589 -0.1268 -0.0789 -0.0633 0.3982 0.4173 1.2399 1.2620 1.5241 1.5275 2.8126 2.8372 2.9107 2.9201 3.9390 3.9398 3.9703 3.9992 4.5524 4.6120 4.8576 4.9131 5.1922 5.2052 5.4034 5.4432 8.5198 8.5593 8.7596 8.7676 9.0602 9.0614 9.7620 9.7895 10.1734 10.2157 k = 0.1293 0.3477 0.6465 ( 5884 PWs) bands (ev): -5.9120 -5.9114 -5.3400 -5.3393 -4.7099 -4.7091 -4.5351 -4.5345 -1.2914 -1.2792 -0.8752 -0.8485 -0.6053 -0.5988 -0.5817 -0.5651 -0.4894 -0.4268 -0.3835 -0.3668 -0.2852 -0.2788 -0.2455 -0.2196 -0.1998 -0.1898 -0.1608 -0.1297 -0.0847 -0.0679 0.3610 0.3788 1.1849 1.2064 1.4636 1.4671 2.8707 2.8961 2.9626 2.9740 3.9675 3.9812 4.0144 4.0298 4.5941 4.6563 4.8876 4.9441 5.2383 5.2532 5.3879 5.4320 8.4999 8.5423 8.7454 8.7519 9.0516 9.0530 9.6701 9.6969 10.1103 10.1506 k = 0.1379 0.3358 0.6612 ( 5886 PWs) bands (ev): -5.8908 -5.8901 -5.3418 -5.3411 -4.7221 -4.7213 -4.5454 -4.5447 -1.2726 -1.2593 -0.8801 -0.8517 -0.6042 -0.5983 -0.5808 -0.5631 -0.4958 -0.4291 -0.3832 -0.3655 -0.2851 -0.2769 -0.2461 -0.2195 -0.2030 -0.1922 -0.1629 -0.1334 -0.0893 -0.0713 0.3265 0.3425 1.1322 1.1530 1.4041 1.4076 2.9304 2.9556 3.0123 3.0266 3.9719 3.9937 4.0758 4.0847 4.6347 4.6982 4.9191 4.9762 5.2842 5.3000 5.3744 5.4234 8.4843 8.5292 8.7297 8.7345 9.0398 9.0414 9.5797 9.6056 10.0543 10.0923 k = 0.1466 0.3239 0.6759 ( 5886 PWs) bands (ev): -5.8685 -5.8679 -5.3454 -5.3446 -4.7330 -4.7322 -4.5562 -4.5556 -1.2530 -1.2388 -0.8854 -0.8554 -0.6031 -0.5978 -0.5798 -0.5615 -0.5023 -0.4310 -0.3830 -0.3646 -0.2851 -0.2750 -0.2468 -0.2197 -0.2061 -0.1946 -0.1651 -0.1378 -0.0927 -0.0733 0.2946 0.3084 1.0824 1.1024 1.3460 1.3495 2.9908 3.0148 3.0601 3.0784 3.9713 3.9954 4.1344 4.1435 4.6752 4.7380 4.9519 5.0093 5.3286 5.3430 5.3638 5.4193 8.4728 8.5198 8.7126 8.7156 9.0245 9.0261 9.4915 9.5162 10.0072 10.0426 k = 0.1552 0.3120 0.6905 ( 5886 PWs) bands (ev): -5.8453 -5.8446 -5.3509 -5.3501 -4.7421 -4.7413 -4.5677 -4.5670 -1.2329 -1.2176 -0.8913 -0.8598 -0.6020 -0.5974 -0.5787 -0.5603 -0.5088 -0.4323 -0.3826 -0.3639 -0.2851 -0.2732 -0.2479 -0.2205 -0.2089 -0.1968 -0.1674 -0.1429 -0.0946 -0.0738 0.2654 0.2763 1.0361 1.0552 1.2897 1.2932 3.0510 3.0720 3.1065 3.1303 3.9674 3.9925 4.1858 4.1978 4.7172 4.7769 4.9858 5.0431 5.3543 5.3721 5.3753 5.4256 8.4650 8.5138 8.6941 8.6957 9.0054 9.0069 9.4058 9.4290 9.9705 10.0030 k = 0.1638 0.3001 0.7052 ( 5880 PWs) bands (ev): -5.8212 -5.8204 -5.3587 -5.3579 -4.7494 -4.7486 -4.5796 -4.5789 -1.2124 -1.1959 -0.8979 -0.8650 -0.6009 -0.5970 -0.5776 -0.5595 -0.5151 -0.4330 -0.3822 -0.3636 -0.2850 -0.2716 -0.2492 -0.2216 -0.2112 -0.1986 -0.1698 -0.1484 -0.0950 -0.0728 0.2385 0.2461 0.9939 1.0118 1.2356 1.2391 3.1091 3.1257 3.1525 3.1831 3.9612 3.9868 4.2267 4.2436 4.7629 4.8166 5.0203 5.0774 5.3506 5.3889 5.4095 5.4489 8.4608 8.5109 8.6748 8.6751 8.9825 8.9839 9.3230 9.3446 9.9450 9.9745 k = 0.1724 0.2882 0.7199 ( 5882 PWs) bands (ev): -5.7962 -5.7954 -5.3689 -5.3680 -4.7545 -4.7537 -4.5920 -4.5913 -1.1915 -1.1740 -0.9053 -0.8710 -0.5999 -0.5966 -0.5764 -0.5592 -0.5214 -0.4328 -0.3819 -0.3638 -0.2849 -0.2703 -0.2509 -0.2229 -0.2132 -0.2000 -0.1723 -0.1542 -0.0937 -0.0704 0.2137 0.2174 0.9562 0.9728 1.1840 1.1873 3.1625 3.1750 3.2001 3.2371 3.9538 3.9796 4.2543 4.2777 4.8141 4.8595 5.0551 5.1118 5.3492 5.3935 5.4425 5.4781 8.4597 8.5105 8.6546 8.6551 8.9563 8.9573 9.2437 9.2634 9.9307 9.9573 k = 0.1810 0.2763 0.7346 ( 5884 PWs) bands (ev): -5.7705 -5.7697 -5.3814 -5.3805 -4.7573 -4.7565 -4.6048 -4.6041 -1.1704 -1.1518 -0.9134 -0.8779 -0.5990 -0.5963 -0.5753 -0.5595 -0.5273 -0.4319 -0.3815 -0.3645 -0.2846 -0.2695 -0.2529 -0.2241 -0.2149 -0.2009 -0.1748 -0.1600 -0.0908 -0.0666 0.1901 0.1907 0.9237 0.9388 1.1351 1.1381 3.2088 3.2202 3.2507 3.2907 3.9461 3.9722 4.2676 4.2978 4.8714 4.9072 5.0898 5.1459 5.3502 5.3970 5.4695 5.5039 8.4614 8.5123 8.6350 8.6357 8.9277 8.9281 9.1682 9.1860 9.9274 9.9512 k = 0.1897 0.2644 0.7493 ( 5892 PWs) bands (ev): -5.7442 -5.7433 -5.3964 -5.3954 -4.7579 -4.7571 -4.6179 -4.6172 -1.1494 -1.1298 -0.9224 -0.8858 -0.5981 -0.5960 -0.5742 -0.5602 -0.5329 -0.4303 -0.3813 -0.3659 -0.2840 -0.2692 -0.2551 -0.2247 -0.2164 -0.2012 -0.1772 -0.1658 -0.0861 -0.0615 0.1637 0.1693 0.8965 0.9100 1.0891 1.0919 3.2492 3.2620 3.3019 3.3420 3.9396 3.9662 4.2672 4.3034 4.9340 4.9601 5.1237 5.1791 5.3528 5.4005 5.4896 5.5232 8.4657 8.5159 8.6171 8.6175 8.8974 8.8979 9.0971 9.1128 9.9341 9.9553 k = 0.1983 0.2525 0.7640 ( 5900 PWs) bands (ev): -5.7173 -5.7164 -5.4136 -5.4126 -4.7562 -4.7554 -4.6312 -4.6305 -1.1285 -1.1079 -0.9324 -0.8947 -0.5973 -0.5956 -0.5733 -0.5613 -0.5379 -0.4280 -0.3810 -0.3678 -0.2832 -0.2695 -0.2576 -0.2246 -0.2179 -0.2009 -0.1795 -0.1712 -0.0797 -0.0551 0.1383 0.1491 0.8752 0.8870 1.0465 1.0489 3.2857 3.3009 3.3500 3.3885 3.9358 3.9632 4.2546 4.2958 5.0000 5.0174 5.1563 5.2112 5.3559 5.4040 5.5019 5.5346 8.4720 8.5211 8.6012 8.6020 8.8667 8.8682 9.0310 9.0444 9.9496 9.9686 k = 0.2069 0.2406 0.7787 ( 5894 PWs) bands (ev): -5.6901 -5.6892 -5.4329 -5.4319 -4.7524 -4.7517 -4.6447 -4.6439 -1.1078 -1.0866 -0.9433 -0.9046 -0.5966 -0.5953 -0.5725 -0.5625 -0.5422 -0.4253 -0.3808 -0.3702 -0.2821 -0.2700 -0.2601 -0.2239 -0.2192 -0.2001 -0.1818 -0.1763 -0.0713 -0.0475 0.1136 0.1300 0.8598 0.8699 1.0073 1.0092 3.3190 3.3372 3.3923 3.4279 3.9366 3.9653 4.2323 4.2769 5.0671 5.0769 5.1871 5.2416 5.3589 5.4069 5.5060 5.5375 8.4802 8.5273 8.5872 8.5902 8.8376 8.8401 8.9705 8.9817 9.9723 9.9894 k = 0.2155 0.2287 0.7934 ( 5896 PWs) bands (ev): -5.6625 -5.6616 -5.4541 -5.4531 -4.7468 -4.7460 -4.6581 -4.6574 -1.0877 -1.0660 -0.9553 -0.9155 -0.5959 -0.5950 -0.5722 -0.5639 -0.5457 -0.4223 -0.3807 -0.3729 -0.2806 -0.2708 -0.2627 -0.2229 -0.2203 -0.1990 -0.1839 -0.1808 -0.0611 -0.0390 0.0897 0.1122 0.8504 0.8587 0.9719 0.9733 3.3491 3.3710 3.4265 3.4579 3.9437 3.9743 4.2026 4.2492 5.1322 5.1361 5.2153 5.2702 5.3612 5.4088 5.5016 5.5314 8.4896 8.5341 8.5760 8.5820 8.8119 8.8153 8.9164 8.9254 10.0006 10.0163 k = 0.2241 0.2168 0.8081 ( 5892 PWs) bands (ev): -5.6349 -5.6339 -5.4770 -5.4760 -4.7394 -4.7386 -4.6715 -4.6707 -1.0681 -1.0467 -0.9682 -0.9271 -0.5952 -0.5947 -0.5721 -0.5651 -0.5483 -0.4192 -0.3807 -0.3757 -0.2789 -0.2716 -0.2652 -0.2227 -0.2200 -0.1976 -0.1860 -0.1848 -0.0490 -0.0300 0.0668 0.0960 0.8470 0.8537 0.9406 0.9414 3.3756 3.4018 3.4511 3.4769 3.9585 3.9913 4.1675 4.2155 5.1914 5.1918 5.2405 5.2974 5.3634 5.4099 5.4889 5.5165 8.4998 8.5411 8.5673 8.5774 8.7916 8.7955 8.8696 8.8765 10.0330 10.0475 k = 0.2328 0.2049 0.8228 ( 5888 PWs) bands (ev): -5.6073 -5.6063 -5.5013 -5.5003 -4.7305 -4.7297 -4.6845 -4.6838 -1.0492 -1.0294 -0.9823 -0.9387 -0.5947 -0.5944 -0.5723 -0.5662 -0.5500 -0.4166 -0.3806 -0.3782 -0.2770 -0.2723 -0.2677 -0.2232 -0.2188 -0.1960 -0.1879 -0.1879 -0.0353 -0.0213 0.0451 0.0821 0.8493 0.8546 0.9136 0.9137 3.3972 3.4293 3.4661 3.4848 3.9812 4.0160 4.1294 4.1783 5.2381 5.2401 5.2616 5.3247 5.3676 5.4110 5.4688 5.4935 8.5097 8.5474 8.5606 8.5755 8.7787 8.7827 8.8310 8.8363 10.0678 10.0815 k = 0.2414 0.1930 0.8375 ( 5892 PWs) bands (ev): -5.5799 -5.5789 -5.5267 -5.5257 -4.7203 -4.7196 -4.6971 -4.6964 -1.0313 -1.0160 -0.9973 -0.9486 -0.5943 -0.5943 -0.5726 -0.5669 -0.5509 -0.4147 -0.3806 -0.3800 -0.2748 -0.2727 -0.2702 -0.2237 -0.2176 -0.1944 -0.1900 -0.1897 -0.0208 -0.0145 0.0259 0.0722 0.8570 0.8611 0.8908 0.8914 3.4121 3.4524 3.4731 3.4826 4.0103 4.0451 4.0909 4.1415 5.2686 5.2704 5.2767 5.3513 5.3783 5.4158 5.4442 5.4649 8.5177 8.5519 8.5557 8.5751 8.7753 8.7792 8.8019 8.8060 10.1034 10.1166 k = 0.2500 0.1811 0.8522 ( 5896 PWs) bands (ev): -5.5536 -5.5524 -5.5524 -5.5515 -4.7096 -4.7087 -4.7087 -4.7081 -1.0171 -1.0105 -1.0105 -0.9530 -0.5942 -0.5942 -0.5727 -0.5671 -0.5512 -0.4140 -0.3807 -0.3807 -0.2728 -0.2728 -0.2723 -0.2239 -0.2172 -0.1934 -0.1908 -0.1908 -0.0118 -0.0118 0.0153 0.0685 0.8659 0.8705 0.8768 0.8768 3.4175 3.4669 3.4749 3.4749 4.0340 4.0640 4.0640 4.1201 5.2801 5.2801 5.2808 5.3641 5.3899 5.4278 5.4278 5.4415 8.5210 8.5536 8.5536 8.5752 8.7807 8.7854 8.7854 8.7881 10.1320 10.1475 k = 0.2500 0.1811 0.8522 ( 5896 PWs) bands (ev): -5.5536 -5.5524 -5.5524 -5.5515 -4.7096 -4.7087 -4.7087 -4.7081 -1.0171 -1.0105 -1.0105 -0.9530 -0.5942 -0.5942 -0.5727 -0.5671 -0.5512 -0.4140 -0.3807 -0.3807 -0.2728 -0.2728 -0.2723 -0.2239 -0.2172 -0.1934 -0.1908 -0.1908 -0.0118 -0.0118 0.0153 0.0685 0.8659 0.8705 0.8768 0.8768 3.4175 3.4669 3.4749 3.4749 4.0340 4.0640 4.0640 4.1201 5.2801 5.2801 5.2808 5.3641 5.3899 5.4278 5.4278 5.4415 8.5210 8.5536 8.5536 8.5752 8.7807 8.7854 8.7854 8.7881 10.1320 10.1475 k = 0.2639 0.1912 0.8397 ( 5906 PWs) bands (ev): -5.5683 -5.5673 -5.5379 -5.5370 -4.7158 -4.7150 -4.7022 -4.7014 -1.0238 -1.0138 -1.0030 -0.9517 -0.5955 -0.5930 -0.5734 -0.5662 -0.5511 -0.4143 -0.3816 -0.3801 -0.2737 -0.2736 -0.2706 -0.2239 -0.2172 -0.1937 -0.1916 -0.1892 -0.0175 -0.0137 0.0189 0.0687 0.8651 0.8701 0.8826 0.8870 3.4084 3.4547 3.4598 3.4690 4.0255 4.0624 4.0877 4.1392 5.2723 5.2768 5.2838 5.3542 5.3948 5.4176 5.4410 5.4519 8.4996 8.5336 8.5384 8.5619 8.7967 8.7999 8.8007 8.8068 10.1172 10.1321 k = 0.2778 0.2013 0.8273 ( 5898 PWs) bands (ev): -5.5821 -5.5812 -5.5247 -5.5238 -4.7217 -4.7210 -4.6954 -4.6947 -1.0325 -1.0199 -0.9944 -0.9487 -0.5967 -0.5918 -0.5745 -0.5641 -0.5507 -0.4154 -0.3826 -0.3797 -0.2749 -0.2743 -0.2681 -0.2238 -0.2175 -0.1943 -0.1918 -0.1870 -0.0297 -0.0201 0.0267 0.0699 0.8709 0.8778 0.8964 0.9031 3.3828 3.4235 3.4264 3.4426 4.0151 4.0553 4.1426 4.1885 5.2599 5.2672 5.2839 5.3364 5.4083 5.4130 5.4591 5.4668 8.4363 8.4679 8.5160 8.5400 8.8321 8.8400 8.8447 8.8462 10.0977 10.1135 k = 0.2917 0.2113 0.8149 ( 5900 PWs) bands (ev): -5.5946 -5.5937 -5.5134 -5.5125 -4.7270 -4.7263 -4.6890 -4.6883 -1.0408 -1.0274 -0.9869 -0.9453 -0.5977 -0.5911 -0.5752 -0.5614 -0.5500 -0.4175 -0.3837 -0.3795 -0.2764 -0.2748 -0.2652 -0.2236 -0.2180 -0.1951 -0.1912 -0.1844 -0.0443 -0.0305 0.0352 0.0723 0.8853 0.8937 0.9147 0.9232 3.3411 3.3740 3.3831 3.4053 4.0121 4.0513 4.2085 4.2498 5.2444 5.2532 5.2817 5.3201 5.4167 5.4250 5.4775 5.4821 8.3525 8.3823 8.4889 8.5120 8.8749 8.8859 8.9016 8.9051 10.0792 10.0962 k = 0.3056 0.2214 0.8025 ( 5901 PWs) bands (ev): -5.6055 -5.6047 -5.5038 -5.5030 -4.7315 -4.7309 -4.6832 -4.6826 -1.0483 -1.0353 -0.9806 -0.9421 -0.5987 -0.5910 -0.5752 -0.5584 -0.5490 -0.4206 -0.3845 -0.3794 -0.2779 -0.2753 -0.2620 -0.2233 -0.2187 -0.1960 -0.1898 -0.1813 -0.0590 -0.0433 0.0434 0.0756 0.9070 0.9165 0.9373 0.9472 3.2860 3.3134 3.3353 3.3594 4.0167 4.0527 4.2748 4.3123 5.2275 5.2368 5.2780 5.3063 5.4271 5.4427 5.4966 5.4975 8.2603 8.2886 8.4587 8.4809 8.9227 8.9364 8.9634 8.9710 10.0622 10.0801 k = 0.3194 0.2315 0.7900 ( 5895 PWs) bands (ev): -5.6149 -5.6142 -5.4962 -5.4954 -4.7354 -4.7348 -4.6784 -4.6778 -1.0549 -1.0428 -0.9754 -0.9396 -0.5997 -0.5915 -0.5745 -0.5549 -0.5477 -0.4249 -0.3850 -0.3791 -0.2794 -0.2756 -0.2584 -0.2228 -0.2196 -0.1969 -0.1878 -0.1778 -0.0729 -0.0572 0.0508 0.0789 0.9343 0.9445 0.9638 0.9748 3.2231 3.2475 3.2834 3.3063 4.0276 4.0592 4.3349 4.3692 5.2106 5.2197 5.2736 5.2945 5.4411 5.4588 5.5147 5.5189 8.1655 8.1923 8.4270 8.4486 8.9735 8.9898 9.0283 9.0394 10.0462 10.0653 k = 0.3333 0.2415 0.7776 ( 5890 PWs) bands (ev): -5.6227 -5.6221 -5.4903 -5.4896 -4.7385 -4.7379 -4.6746 -4.6741 -1.0602 -1.0494 -0.9712 -0.9379 -0.6006 -0.5925 -0.5733 -0.5508 -0.5461 -0.4301 -0.3850 -0.3785 -0.2807 -0.2760 -0.2544 -0.2222 -0.2206 -0.1981 -0.1851 -0.1737 -0.0851 -0.0709 0.0574 0.0820 0.9660 0.9765 0.9940 1.0058 3.1570 3.1797 3.2281 3.2484 4.0429 4.0694 4.3845 4.4165 5.1945 5.2030 5.2686 5.2841 5.4548 5.4704 5.5365 5.5470 8.0722 8.0970 8.3950 8.4160 9.0262 9.0451 9.0949 9.1093 10.0311 10.0512 k = 0.3472 0.2516 0.7652 ( 5890 PWs) bands (ev): -5.6289 -5.6283 -5.4863 -5.4857 -4.7408 -4.7403 -4.6721 -4.6716 -1.0641 -1.0548 -0.9681 -0.9371 -0.6014 -0.5939 -0.5719 -0.5461 -0.5444 -0.4360 -0.3845 -0.3776 -0.2818 -0.2763 -0.2502 -0.2213 -0.2213 -0.1993 -0.1820 -0.1691 -0.0951 -0.0835 0.0630 0.0845 1.0004 1.0109 1.0274 1.0396 3.0906 3.1122 3.1705 3.1878 4.0610 4.0821 4.4212 4.4516 5.1800 5.1874 5.2634 5.2749 5.4641 5.4765 5.5651 5.5807 7.9838 8.0063 8.3631 8.3838 9.0802 9.1015 9.1626 9.1800 10.0163 10.0376 k = 0.3611 0.2617 0.7527 ( 5886 PWs) bands (ev): -5.6334 -5.6328 -5.4842 -5.4836 -4.7424 -4.7419 -4.6710 -4.6706 -1.0663 -1.0587 -0.9660 -0.9372 -0.6023 -0.5954 -0.5704 -0.5428 -0.5407 -0.4421 -0.3834 -0.3764 -0.2827 -0.2765 -0.2460 -0.2216 -0.2204 -0.2006 -0.1785 -0.1641 -0.1027 -0.0943 0.0676 0.0862 1.0364 1.0468 1.0634 1.0757 3.0258 3.0466 3.1123 3.1264 4.0803 4.0959 4.4442 4.4736 5.1674 5.1733 5.2584 5.2667 5.4676 5.4777 5.5992 5.6170 7.9042 7.9236 8.3318 8.3523 9.1350 9.1586 9.2310 9.2512 10.0013 10.0240 k = 0.3750 0.2717 0.7403 ( 5876 PWs) bands (ev): -5.6361 -5.6356 -5.4840 -5.4834 -4.7432 -4.7427 -4.6713 -4.6709 -1.0667 -1.0608 -0.9649 -0.9382 -0.6030 -0.5969 -0.5690 -0.5414 -0.5347 -0.4481 -0.3819 -0.3747 -0.2832 -0.2766 -0.2421 -0.2212 -0.2195 -0.2019 -0.1748 -0.1589 -0.1075 -0.1022 0.0713 0.0872 1.0730 1.0832 1.1011 1.1130 2.9642 2.9842 3.0549 3.0659 4.0998 4.1097 4.4536 4.4827 5.1570 5.1611 5.2539 5.2597 5.4657 5.4745 5.6344 5.6517 7.8368 7.8526 8.3012 8.3217 9.1905 9.2159 9.2996 9.3223 9.9857 10.0098 k = 0.3889 0.2818 0.7279 ( 5876 PWs) bands (ev): -5.6371 -5.6367 -5.4857 -5.4852 -4.7432 -4.7428 -4.6730 -4.6727 -1.0652 -1.0612 -0.9647 -0.9400 -0.6037 -0.5985 -0.5677 -0.5406 -0.5280 -0.4534 -0.3798 -0.3726 -0.2833 -0.2767 -0.2390 -0.2195 -0.2189 -0.2030 -0.1712 -0.1544 -0.1089 -0.1062 0.0742 0.0873 1.1093 1.1191 1.1393 1.1505 2.9070 2.9264 2.9999 3.0078 4.1183 4.1226 4.4506 4.4797 5.1489 5.1512 5.2503 5.2542 5.4595 5.4676 5.6651 5.6800 7.7857 7.7971 8.2716 8.2920 9.2462 9.2732 9.3680 9.3929 9.9687 9.9946 k = 0.4028 0.2918 0.7155 ( 5882 PWs) bands (ev): -5.6363 -5.6359 -5.4894 -5.4889 -4.7424 -4.7420 -4.6760 -4.6757 -1.0619 -1.0597 -0.9655 -0.9428 -0.6043 -0.6000 -0.5665 -0.5405 -0.5209 -0.4580 -0.3773 -0.3702 -0.2832 -0.2766 -0.2371 -0.2190 -0.2164 -0.2034 -0.1682 -0.1520 -0.1061 -0.1043 0.0763 0.0867 1.1446 1.1539 1.1769 1.1872 2.8553 2.8741 2.9485 2.9535 4.1338 4.1351 4.4366 4.4661 5.1432 5.1437 5.2479 5.2501 5.4495 5.4575 5.6862 5.6972 7.7540 7.7605 8.2429 8.2634 9.3017 9.3300 9.4356 9.4620 9.9498 9.9780 k = 0.4167 0.3019 0.7030 ( 5878 PWs) bands (ev): -5.6338 -5.6334 -5.4952 -5.4948 -4.7408 -4.7405 -4.6801 -4.6800 -1.0568 -1.0564 -0.9671 -0.9463 -0.6048 -0.6013 -0.5653 -0.5413 -0.5135 -0.4615 -0.3744 -0.3676 -0.2826 -0.2763 -0.2363 -0.2201 -0.2125 -0.2030 -0.1660 -0.1522 -0.0984 -0.0957 0.0776 0.0855 1.1780 1.1865 1.2127 1.2218 2.8104 2.8284 2.9020 2.9042 4.1427 4.1495 4.4131 4.4432 5.1388 5.1400 5.2466 5.2475 5.4368 5.4448 5.6933 5.6997 7.7444 7.7457 8.2154 8.2360 9.3567 9.3856 9.5013 9.5284 9.9285 9.9597 k = 0.4306 0.3120 0.6906 ( 5885 PWs) bands (ev): -5.6294 -5.6291 -5.5032 -5.5029 -4.7384 -4.7382 -4.6853 -4.6851 -1.0515 -1.0503 -0.9695 -0.9508 -0.6052 -0.6026 -0.5642 -0.5430 -0.5059 -0.4641 -0.3712 -0.3651 -0.2817 -0.2759 -0.2360 -0.2221 -0.2082 -0.2018 -0.1649 -0.1540 -0.0853 -0.0811 0.0783 0.0836 1.2087 1.2163 1.2456 1.2533 2.7731 2.7902 2.8608 2.8613 4.1489 4.1611 4.3814 4.4123 5.1365 5.1394 5.2458 5.2462 5.4222 5.4307 5.6837 5.6853 7.7540 7.7580 8.1891 8.2098 9.4106 9.4396 9.5637 9.5902 9.9045 9.9400 k = 0.4444 0.3220 0.6782 ( 5889 PWs) bands (ev): -5.6232 -5.6230 -5.5136 -5.5133 -4.7353 -4.7350 -4.6911 -4.6910 -1.0452 -1.0424 -0.9726 -0.9560 -0.6055 -0.6036 -0.5631 -0.5454 -0.4983 -0.4659 -0.3679 -0.3626 -0.2805 -0.2753 -0.2360 -0.2247 -0.2040 -0.2001 -0.1644 -0.1563 -0.0667 -0.0613 0.0784 0.0813 1.2359 1.2424 1.2747 1.2808 2.7444 2.7604 2.8244 2.8273 4.1521 4.1695 4.3429 4.3745 5.1367 5.1409 5.2439 5.2456 5.4073 5.4165 5.6539 5.6567 7.7851 7.7939 8.1641 8.1849 9.4627 9.4912 9.6201 9.6437 9.8789 9.9207 k = 0.4583 0.3321 0.6658 ( 5887 PWs) bands (ev): -5.6151 -5.6150 -5.5263 -5.5261 -4.7313 -4.7311 -4.6972 -4.6972 -1.0379 -1.0339 -0.9761 -0.9619 -0.6057 -0.6044 -0.5619 -0.5483 -0.4909 -0.4672 -0.3646 -0.3605 -0.2789 -0.2746 -0.2361 -0.2276 -0.2003 -0.1981 -0.1643 -0.1585 -0.0430 -0.0369 0.0780 0.0786 1.2591 1.2642 1.2990 1.3035 2.7249 2.7391 2.7960 2.8007 4.1523 4.1745 4.2986 4.3310 5.1390 5.1441 5.2402 5.2430 5.3947 5.4046 5.6073 5.6137 7.8367 7.8498 8.1405 8.1614 9.5123 9.5392 9.6646 9.6822 9.8561 9.9067 k = 0.4722 0.3422 0.6533 ( 5889 PWs) bands (ev): -5.6053 -5.6052 -5.5416 -5.5415 -4.7266 -4.7264 -4.7034 -4.7034 -1.0301 -1.0254 -0.9797 -0.9684 -0.6058 -0.6050 -0.5608 -0.5516 -0.4837 -0.4683 -0.3614 -0.3586 -0.2769 -0.2738 -0.2363 -0.2306 -0.1970 -0.1960 -0.1642 -0.1606 -0.0146 -0.0085 0.0760 0.0775 1.2779 1.2815 1.3182 1.3211 2.7148 2.7263 2.7765 2.7820 4.1496 4.1761 4.2497 4.2825 5.1421 5.1474 5.2328 5.2362 5.3868 5.3971 5.5492 5.5581 7.9056 7.9222 8.1185 8.1394 9.5578 9.5820 9.6839 9.6953 9.8484 9.9070 k = 0.4861 0.3522 0.6409 ( 5890 PWs) bands (ev): -5.5935 -5.5935 -5.5595 -5.5594 -4.7211 -4.7209 -4.7094 -4.7093 -1.0225 -1.0188 -0.9818 -0.9748 -0.6058 -0.6054 -0.5596 -0.5550 -0.4769 -0.4694 -0.3586 -0.3572 -0.2747 -0.2730 -0.2365 -0.2336 -0.1943 -0.1940 -0.1641 -0.1623 0.0170 0.0221 0.0750 0.0777 1.2923 1.2941 1.3321 1.3334 2.7136 2.7207 2.7671 2.7713 4.1442 4.1727 4.1985 4.2299 5.1435 5.1474 5.2220 5.2246 5.3840 5.3929 5.4872 5.4959 7.9876 8.0065 8.0982 8.1190 9.5969 9.6169 9.6676 9.6787 9.8661 9.9219 k = 0.5000 0.3623 0.6285 ( 5896 PWs) bands (ev): -5.5807 -5.5807 -5.5793 -5.5793 -4.7153 -4.7153 -4.7141 -4.7141 -1.0170 -1.0170 -0.9798 -0.9798 -0.6056 -0.6056 -0.5583 -0.5583 -0.4705 -0.4705 -0.3563 -0.3563 -0.2721 -0.2721 -0.2366 -0.2366 -0.1921 -0.1921 -0.1637 -0.1637 0.0459 0.0459 0.0842 0.0842 1.3026 1.3026 1.3410 1.3410 2.7200 2.7200 2.7691 2.7691 4.1358 4.1358 4.1746 4.1746 5.1371 5.1371 5.2113 5.2113 5.3751 5.3751 5.4446 5.4446 8.0764 8.0764 8.1020 8.1020 9.6228 9.6228 9.6419 9.6419 9.8984 9.8984 k = 0.5000 0.3623 0.6285 ( 5896 PWs) bands (ev): -5.5807 -5.5807 -5.5793 -5.5793 -4.7153 -4.7153 -4.7141 -4.7141 -1.0170 -1.0170 -0.9798 -0.9798 -0.6056 -0.6056 -0.5583 -0.5583 -0.4705 -0.4705 -0.3563 -0.3563 -0.2721 -0.2721 -0.2366 -0.2366 -0.1921 -0.1921 -0.1637 -0.1637 0.0459 0.0459 0.0842 0.0842 1.3026 1.3026 1.3410 1.3410 2.7200 2.7200 2.7691 2.7691 4.1358 4.1358 4.1746 4.1746 5.1371 5.1371 5.2113 5.2113 5.3751 5.3751 5.4446 5.4446 8.0764 8.0764 8.1020 8.1020 9.6228 9.6228 9.6419 9.6419 9.8984 9.8984 k = 0.5000 0.3623 0.6075 ( 5896 PWs) bands (ev): -5.5874 -5.5874 -5.5861 -5.5861 -4.7133 -4.7133 -4.7121 -4.7121 -1.0152 -1.0152 -0.9788 -0.9788 -0.6054 -0.6054 -0.5600 -0.5600 -0.4663 -0.4663 -0.3543 -0.3543 -0.2691 -0.2691 -0.2390 -0.2390 -0.1890 -0.1890 -0.1643 -0.1643 0.0764 0.0764 0.1146 0.1146 1.3163 1.3163 1.3522 1.3522 2.7290 2.7290 2.7780 2.7780 4.0795 4.0795 4.1213 4.1213 5.1093 5.1093 5.1906 5.1906 5.3267 5.3267 5.4036 5.4036 8.1410 8.1410 8.1675 8.1675 9.5804 9.5804 9.6020 9.6020 9.8977 9.8977 k = 0.5000 0.3623 0.5866 ( 5886 PWs) bands (ev): -5.5952 -5.5952 -5.5939 -5.5939 -4.7099 -4.7099 -4.7088 -4.7088 -1.0137 -1.0137 -0.9780 -0.9780 -0.6050 -0.6050 -0.5616 -0.5616 -0.4625 -0.4625 -0.3530 -0.3530 -0.2658 -0.2658 -0.2412 -0.2412 -0.1864 -0.1864 -0.1646 -0.1646 0.1070 0.1070 0.1452 0.1452 1.3327 1.3327 1.3656 1.3656 2.7383 2.7383 2.7871 2.7871 4.0239 4.0239 4.0685 4.0685 5.0785 5.0785 5.1657 5.1657 5.2831 5.2831 5.3657 5.3657 8.2061 8.2061 8.2333 8.2333 9.5191 9.5191 9.5421 9.5421 9.8929 9.8929 k = 0.5000 0.3623 0.5656 ( 5878 PWs) bands (ev): -5.6041 -5.6041 -5.6028 -5.6028 -4.7051 -4.7051 -4.7040 -4.7040 -1.0125 -1.0125 -0.9774 -0.9774 -0.6044 -0.6044 -0.5630 -0.5630 -0.4590 -0.4590 -0.3524 -0.3524 -0.2626 -0.2626 -0.2432 -0.2432 -0.1845 -0.1845 -0.1646 -0.1646 0.1369 0.1369 0.1752 0.1752 1.3522 1.3522 1.3818 1.3818 2.7477 2.7477 2.7963 2.7963 3.9700 3.9700 4.0170 4.0170 5.0452 5.0452 5.1354 5.1354 5.2463 5.2463 5.3314 5.3314 8.2702 8.2702 8.2979 8.2979 9.4488 9.4488 9.4716 9.4716 9.8758 9.8758 k = 0.5000 0.3623 0.5447 ( 5878 PWs) bands (ev): -5.6140 -5.6140 -5.6128 -5.6128 -4.6987 -4.6987 -4.6976 -4.6976 -1.0117 -1.0117 -0.9772 -0.9772 -0.6037 -0.6037 -0.5644 -0.5644 -0.4560 -0.4560 -0.3522 -0.3522 -0.2595 -0.2595 -0.2448 -0.2448 -0.1832 -0.1832 -0.1642 -0.1642 0.1649 0.1649 0.2036 0.2036 1.3752 1.3752 1.4011 1.4011 2.7571 2.7571 2.8054 2.8054 3.9187 3.9187 3.9678 3.9678 5.0098 5.0098 5.0996 5.0996 5.2168 5.2168 5.3005 5.3005 8.3316 8.3316 8.3593 8.3593 9.3753 9.3753 9.3965 9.3965 9.8441 9.8441 k = 0.5000 0.3623 0.5237 ( 5880 PWs) bands (ev): -5.6249 -5.6249 -5.6238 -5.6238 -4.6907 -4.6907 -4.6896 -4.6896 -1.0112 -1.0112 -0.9772 -0.9772 -0.6029 -0.6029 -0.5655 -0.5655 -0.4534 -0.4534 -0.3525 -0.3525 -0.2569 -0.2569 -0.2459 -0.2459 -0.1824 -0.1824 -0.1634 -0.1634 0.1904 0.1904 0.2295 0.2295 1.4020 1.4020 1.4241 1.4241 2.7664 2.7664 2.8142 2.8142 3.8707 3.8707 3.9216 3.9216 4.9729 4.9729 5.0602 5.0602 5.1932 5.1932 5.2731 5.2731 8.3875 8.3875 8.4148 8.4148 9.3028 9.3028 9.3212 9.3212 9.7990 9.7990 k = 0.5000 0.3623 0.5028 ( 5880 PWs) bands (ev): -5.6368 -5.6368 -5.6357 -5.6357 -4.6810 -4.6810 -4.6799 -4.6799 -1.0111 -1.0111 -0.9776 -0.9776 -0.6019 -0.6019 -0.5664 -0.5664 -0.4513 -0.4513 -0.3531 -0.3531 -0.2553 -0.2553 -0.2459 -0.2459 -0.1821 -0.1821 -0.1623 -0.1623 0.2123 0.2123 0.2521 0.2521 1.4330 1.4330 1.4513 1.4513 2.7753 2.7753 2.8227 2.8227 3.8270 3.8270 3.8791 3.8791 4.9353 4.9353 5.0192 5.0192 5.1738 5.1738 5.2488 5.2488 8.4349 8.4349 8.4610 8.4610 9.2350 9.2350 9.2495 9.2495 9.7427 9.7427 k = 0.5000 0.3623 0.4818 ( 5876 PWs) bands (ev): -5.6495 -5.6495 -5.6485 -5.6485 -4.6697 -4.6697 -4.6686 -4.6686 -1.0113 -1.0113 -0.9783 -0.9783 -0.6008 -0.6008 -0.5672 -0.5672 -0.4498 -0.4498 -0.3539 -0.3539 -0.2552 -0.2552 -0.2445 -0.2445 -0.1822 -0.1822 -0.1609 -0.1609 0.2300 0.2300 0.2705 0.2705 1.4682 1.4682 1.4830 1.4830 2.7839 2.7839 2.8307 2.8307 3.7880 3.7880 3.8410 3.8410 4.8977 4.8977 4.9783 4.9783 5.1573 5.1573 5.2273 5.2273 8.4695 8.4695 8.4938 8.4938 9.1757 9.1757 9.1857 9.1857 9.6781 9.6781 k = 0.5000 0.3623 0.4609 ( 5860 PWs) bands (ev): -5.6630 -5.6630 -5.6620 -5.6620 -4.6568 -4.6568 -4.6557 -4.6557 -1.0119 -1.0119 -0.9793 -0.9793 -0.5995 -0.5995 -0.5677 -0.5677 -0.4487 -0.4487 -0.3549 -0.3549 -0.2561 -0.2561 -0.2421 -0.2421 -0.1825 -0.1825 -0.1593 -0.1593 0.2429 0.2429 0.2843 0.2843 1.5075 1.5075 1.5198 1.5198 2.7919 2.7919 2.8381 2.8381 3.7543 3.7543 3.8076 3.8076 4.8606 4.8606 4.9384 4.9384 5.1431 5.1431 5.2084 5.2084 8.4863 8.4863 8.5087 8.5087 9.1263 9.1263 9.1354 9.1354 9.6086 9.6086 k = 0.5000 0.3623 0.4399 ( 5856 PWs) bands (ev): -5.6771 -5.6771 -5.6762 -5.6762 -4.6424 -4.6424 -4.6414 -4.6414 -1.0128 -1.0128 -0.9807 -0.9807 -0.5982 -0.5982 -0.5680 -0.5680 -0.4481 -0.4481 -0.3561 -0.3561 -0.2575 -0.2575 -0.2394 -0.2394 -0.1830 -0.1830 -0.1577 -0.1577 0.2508 0.2508 0.2931 0.2931 1.5504 1.5504 1.5620 1.5620 2.7992 2.7992 2.8449 2.8449 3.7262 3.7262 3.7795 3.7795 4.8244 4.8244 4.9000 4.9000 5.1308 5.1308 5.1920 5.1920 8.4815 8.4815 8.5031 8.5031 9.0870 9.0870 9.1018 9.1018 9.5377 9.5377 k = 0.5000 0.3623 0.4190 ( 5858 PWs) bands (ev): -5.6917 -5.6917 -5.6908 -5.6908 -4.6267 -4.6267 -4.6257 -4.6257 -1.0141 -1.0141 -0.9825 -0.9825 -0.5967 -0.5967 -0.5681 -0.5681 -0.4481 -0.4481 -0.3576 -0.3576 -0.2590 -0.2590 -0.2367 -0.2367 -0.1836 -0.1836 -0.1561 -0.1561 0.2535 0.2535 0.2968 0.2968 1.5964 1.5964 1.6096 1.6096 2.8059 2.8059 2.8509 2.8509 3.7040 3.7040 3.7567 3.7567 4.7895 4.7895 4.8634 4.8634 5.1204 5.1204 5.1779 5.1779 8.4550 8.4550 8.4770 8.4770 9.0575 9.0575 9.0795 9.0795 9.4696 9.4696 k = 0.5000 0.3623 0.3980 ( 5862 PWs) bands (ev): -5.7067 -5.7067 -5.7058 -5.7058 -4.6097 -4.6097 -4.6087 -4.6087 -1.0158 -1.0158 -0.9846 -0.9846 -0.5951 -0.5951 -0.5680 -0.5680 -0.4486 -0.4486 -0.3592 -0.3592 -0.2607 -0.2607 -0.2339 -0.2339 -0.1842 -0.1842 -0.1544 -0.1544 0.2512 0.2512 0.2953 0.2953 1.6454 1.6454 1.6617 1.6617 2.8118 2.8118 2.8563 2.8563 3.6877 3.6877 3.7395 3.7395 4.7561 4.7561 4.8288 4.8288 5.1119 5.1119 5.1660 5.1660 8.4108 8.4108 8.4338 8.4338 9.0316 9.0316 9.0591 9.0591 9.4099 9.4099 k = 0.5000 0.3623 0.3771 ( 5862 PWs) bands (ev): -5.7218 -5.7218 -5.7210 -5.7210 -4.5917 -4.5917 -4.5908 -4.5908 -1.0177 -1.0177 -0.9871 -0.9871 -0.5934 -0.5934 -0.5676 -0.5676 -0.4496 -0.4496 -0.3612 -0.3612 -0.2624 -0.2624 -0.2313 -0.2313 -0.1847 -0.1847 -0.1528 -0.1528 0.2442 0.2442 0.2892 0.2892 1.6973 1.6973 1.7174 1.7174 2.8170 2.8170 2.8610 2.8610 3.6773 3.6773 3.7278 3.7278 4.7245 4.7245 4.7963 4.7963 5.1054 5.1054 5.1565 5.1565 8.3548 8.3548 8.3785 8.3785 8.9999 8.9999 9.0303 9.0303 9.3638 9.3638 k = 0.5000 0.3623 0.3561 ( 5864 PWs) bands (ev): -5.7370 -5.7370 -5.7362 -5.7362 -4.5729 -4.5729 -4.5719 -4.5719 -1.0200 -1.0200 -0.9900 -0.9900 -0.5915 -0.5915 -0.5671 -0.5671 -0.4511 -0.4511 -0.3634 -0.3634 -0.2641 -0.2641 -0.2289 -0.2289 -0.1852 -0.1852 -0.1511 -0.1511 0.2331 0.2331 0.2787 0.2787 1.7517 1.7517 1.7758 1.7758 2.8213 2.8213 2.8651 2.8651 3.6724 3.6724 3.7216 3.7216 4.6948 4.6948 4.7657 4.7657 5.1011 5.1011 5.1493 5.1493 8.2920 8.2920 8.3159 8.3159 8.9555 8.9555 8.9865 8.9865 9.3334 9.3334 k = 0.5000 0.3623 0.3352 ( 5860 PWs) bands (ev): -5.7521 -5.7521 -5.7514 -5.7514 -4.5533 -4.5533 -4.5524 -4.5524 -1.0225 -1.0225 -0.9932 -0.9932 -0.5895 -0.5895 -0.5662 -0.5662 -0.4530 -0.4530 -0.3660 -0.3660 -0.2658 -0.2658 -0.2267 -0.2267 -0.1855 -0.1855 -0.1495 -0.1495 0.2185 0.2185 0.2645 0.2645 1.8078 1.8078 1.8358 1.8358 2.8250 2.8250 2.8686 2.8686 3.6729 3.6729 3.7207 3.7207 4.6670 4.6670 4.7372 4.7372 5.0990 5.0990 5.1444 5.1444 8.2261 8.2261 8.2499 8.2499 8.8974 8.8974 8.9281 8.9281 9.3149 9.3149 k = 0.5000 0.3623 0.3142 ( 5864 PWs) bands (ev): -5.7669 -5.7669 -5.7663 -5.7663 -4.5334 -4.5334 -4.5325 -4.5325 -1.0253 -1.0253 -0.9968 -0.9968 -0.5873 -0.5873 -0.5652 -0.5652 -0.4555 -0.4555 -0.3691 -0.3691 -0.2673 -0.2673 -0.2248 -0.2248 -0.1857 -0.1857 -0.1478 -0.1478 0.2011 0.2011 0.2472 0.2472 1.8650 1.8650 1.8967 1.8967 2.8279 2.8279 2.8715 2.8715 3.6784 3.6784 3.7249 3.7249 4.6411 4.6411 4.7105 4.7105 5.0992 5.0992 5.1419 5.1419 8.1598 8.1598 8.1831 8.1831 8.8291 8.8291 8.8594 8.8594 9.3014 9.3014 k = 0.5000 0.3623 0.2933 ( 5872 PWs) bands (ev): -5.7814 -5.7814 -5.7808 -5.7808 -4.5132 -4.5132 -4.5123 -4.5123 -1.0283 -1.0283 -1.0008 -1.0008 -0.5850 -0.5850 -0.5639 -0.5639 -0.4584 -0.4584 -0.3728 -0.3728 -0.2687 -0.2687 -0.2232 -0.2232 -0.1856 -0.1856 -0.1462 -0.1462 0.1814 0.1814 0.2275 0.2275 1.9224 1.9224 1.9577 1.9577 2.8300 2.8300 2.8737 2.8737 3.6884 3.6884 3.7338 3.7338 4.6172 4.6172 4.6855 4.6855 5.1017 5.1017 5.1417 5.1417 8.0950 8.0950 8.1175 8.1175 8.7550 8.7550 8.7847 8.7847 9.2875 9.2875 k = 0.5000 0.3623 0.2723 ( 5868 PWs) bands (ev): -5.7954 -5.7954 -5.7948 -5.7948 -4.4929 -4.4929 -4.4922 -4.4922 -1.0315 -1.0315 -1.0050 -1.0050 -0.5825 -0.5825 -0.5622 -0.5622 -0.4617 -0.4617 -0.3772 -0.3772 -0.2697 -0.2697 -0.2220 -0.2220 -0.1852 -0.1852 -0.1447 -0.1447 0.1603 0.1603 0.2061 0.2061 1.9795 1.9795 2.0178 2.0178 2.8314 2.8314 2.8753 2.8753 3.7025 3.7025 3.7470 3.7470 4.5951 4.5951 4.6622 4.6622 5.1067 5.1067 5.1439 5.1439 8.0329 8.0329 8.0546 8.0546 8.6783 8.6783 8.7072 8.7072 9.2693 9.2693 k = 0.5000 0.3623 0.2514 ( 5864 PWs) bands (ev): -5.8088 -5.8088 -5.8083 -5.8083 -4.4729 -4.4729 -4.4722 -4.4722 -1.0348 -1.0348 -1.0095 -1.0095 -0.5797 -0.5797 -0.5603 -0.5603 -0.4654 -0.4654 -0.3824 -0.3824 -0.2705 -0.2705 -0.2212 -0.2212 -0.1844 -0.1844 -0.1431 -0.1431 0.1383 0.1383 0.1837 0.1837 2.0356 2.0356 2.0765 2.0765 2.8321 2.8321 2.8761 2.8761 3.7202 3.7202 3.7640 3.7640 4.5748 4.5748 4.6404 4.6404 5.1140 5.1140 5.1483 5.1483 7.9746 7.9746 7.9956 7.9956 8.6012 8.6012 8.6291 8.6291 9.2448 9.2448 k = 0.5000 0.3623 0.2304 ( 5884 PWs) bands (ev): -5.8214 -5.8214 -5.8210 -5.8210 -4.4534 -4.4534 -4.4527 -4.4527 -1.0382 -1.0382 -1.0143 -1.0143 -0.5768 -0.5768 -0.5580 -0.5580 -0.4694 -0.4694 -0.3884 -0.3884 -0.2709 -0.2709 -0.2209 -0.2209 -0.1834 -0.1834 -0.1417 -0.1417 0.1161 0.1161 0.1608 0.1608 2.0899 2.0899 2.1330 2.1330 2.8319 2.8319 2.8760 2.8760 3.7409 3.7409 3.7843 3.7843 4.5562 4.5562 4.6199 4.6199 5.1235 5.1235 5.1549 5.1549 7.9211 7.9211 7.9412 7.9412 8.5248 8.5248 8.5516 8.5516 9.2126 9.2126 k = 0.5000 0.3623 0.2095 ( 5884 PWs) bands (ev): -5.8333 -5.8333 -5.8329 -5.8329 -4.4346 -4.4346 -4.4339 -4.4339 -1.0416 -1.0416 -1.0192 -1.0192 -0.5736 -0.5736 -0.5554 -0.5554 -0.4738 -0.4738 -0.3954 -0.3954 -0.2707 -0.2707 -0.2210 -0.2210 -0.1819 -0.1819 -0.1403 -0.1403 0.0944 0.0944 0.1380 0.1380 2.1421 2.1421 2.1867 2.1867 2.8309 2.8309 2.8748 2.8748 3.7642 3.7642 3.8071 3.8071 4.5393 4.5393 4.6006 4.6006 5.1349 5.1349 5.1633 5.1633 7.8730 7.8730 7.8924 7.8924 8.4501 8.4501 8.4757 8.4757 9.1726 9.1726 k = 0.5000 0.3623 0.1885 ( 5884 PWs) bands (ev): -5.8443 -5.8443 -5.8439 -5.8439 -4.4167 -4.4167 -4.4161 -4.4161 -1.0450 -1.0450 -1.0243 -1.0243 -0.5702 -0.5702 -0.5524 -0.5524 -0.4784 -0.4784 -0.4032 -0.4032 -0.2701 -0.2701 -0.2216 -0.2216 -0.1801 -0.1801 -0.1392 -0.1392 0.0735 0.0735 0.1159 0.1159 2.1917 2.1917 2.2371 2.2371 2.8292 2.8292 2.8726 2.8726 3.7894 3.7894 3.8317 3.8317 4.5239 4.5239 4.5823 4.5823 5.1480 5.1480 5.1735 5.1735 7.8311 7.8311 7.8497 7.8497 8.3776 8.3776 8.4019 8.4019 9.1254 9.1254 k = 0.5000 0.3623 0.1676 ( 5894 PWs) bands (ev): -5.8543 -5.8543 -5.8540 -5.8540 -4.3999 -4.3999 -4.3994 -4.3994 -1.0482 -1.0482 -1.0294 -1.0294 -0.5665 -0.5665 -0.5490 -0.5490 -0.4832 -0.4832 -0.4119 -0.4119 -0.2689 -0.2689 -0.2226 -0.2226 -0.1779 -0.1779 -0.1382 -0.1382 0.0540 0.0540 0.0948 0.0948 2.2382 2.2382 2.2836 2.2836 2.8267 2.8267 2.8692 2.8692 3.8159 3.8159 3.8571 3.8571 4.5101 4.5101 4.5650 4.5650 5.1623 5.1623 5.1849 5.1849 7.7959 7.7959 7.8138 7.8138 8.3077 8.3077 8.3307 8.3307 9.0728 9.0728 k = 0.5000 0.3623 0.1466 ( 5898 PWs) bands (ev): -5.8633 -5.8633 -5.8631 -5.8631 -4.3845 -4.3845 -4.3840 -4.3840 -1.0512 -1.0512 -1.0344 -1.0344 -0.5627 -0.5627 -0.5452 -0.5452 -0.4881 -0.4881 -0.4212 -0.4212 -0.2672 -0.2672 -0.2241 -0.2241 -0.1754 -0.1754 -0.1376 -0.1376 0.0365 0.0365 0.0750 0.0750 2.2814 2.2814 2.3258 2.3258 2.8237 2.8237 2.8647 2.8647 3.8429 3.8429 3.8825 3.8825 4.4977 4.4977 4.5486 4.5486 5.1773 5.1773 5.1970 5.1970 7.7678 7.7678 7.7851 7.7851 8.2408 8.2408 8.2624 8.2624 9.0172 9.0172 k = 0.5000 0.3623 0.1257 ( 5894 PWs) bands (ev): -5.8713 -5.8713 -5.8710 -5.8710 -4.3707 -4.3707 -4.3703 -4.3703 -1.0539 -1.0539 -1.0392 -1.0392 -0.5586 -0.5586 -0.5409 -0.5409 -0.4929 -0.4929 -0.4311 -0.4311 -0.2650 -0.2650 -0.2260 -0.2260 -0.1726 -0.1726 -0.1375 -0.1375 0.0212 0.0212 0.0570 0.0570 2.3210 2.3210 2.3632 2.3632 2.8203 2.8203 2.8590 2.8590 3.8697 3.8697 3.9067 3.9067 4.4870 4.4870 4.5330 4.5330 5.1925 5.1925 5.2093 5.2093 7.7473 7.7473 7.7638 7.7638 8.1773 8.1773 8.1975 8.1975 8.9615 8.9615 k = 0.5000 0.3623 0.1047 ( 5894 PWs) bands (ev): -5.8780 -5.8780 -5.8778 -5.8778 -4.3587 -4.3587 -4.3583 -4.3583 -1.0562 -1.0562 -1.0437 -1.0437 -0.5543 -0.5543 -0.5363 -0.5363 -0.4975 -0.4975 -0.4414 -0.4414 -0.2623 -0.2623 -0.2283 -0.2283 -0.1696 -0.1696 -0.1380 -0.1380 0.0085 0.0085 0.0407 0.0407 2.3565 2.3565 2.3953 2.3953 2.8170 2.8170 2.8524 2.8524 3.8953 3.8953 3.9289 3.9289 4.4781 4.4781 4.5185 4.5185 5.2071 5.2071 5.2212 5.2212 7.7343 7.7343 7.7500 7.7500 8.1178 8.1178 8.1365 8.1365 8.9088 8.9088 k = 0.5000 0.3623 0.0838 ( 5892 PWs) bands (ev): -5.8836 -5.8836 -5.8835 -5.8835 -4.3486 -4.3486 -4.3483 -4.3483 -1.0580 -1.0580 -1.0478 -1.0478 -0.5500 -0.5500 -0.5317 -0.5317 -0.5014 -0.5014 -0.4519 -0.4519 -0.2592 -0.2592 -0.2310 -0.2310 -0.1662 -0.1662 -0.1392 -0.1392 -0.0012 -0.0012 0.0264 0.0264 2.3876 2.3876 2.4216 2.4216 2.8142 2.8142 2.8451 2.8451 3.9189 3.9189 3.9479 3.9479 4.4711 4.4711 4.5050 4.5050 5.2205 5.2205 5.2318 5.2318 7.7287 7.7287 7.7434 7.7434 8.0633 8.0633 8.0803 8.0803 8.8620 8.8620 k = 0.5000 0.3623 0.0628 ( 5892 PWs) bands (ev): -5.8880 -5.8880 -5.8879 -5.8879 -4.3405 -4.3405 -4.3403 -4.3403 -1.0591 -1.0591 -1.0515 -1.0515 -0.5455 -0.5455 -0.5281 -0.5281 -0.5036 -0.5036 -0.4622 -0.4622 -0.2558 -0.2558 -0.2340 -0.2340 -0.1627 -0.1627 -0.1412 -0.1412 -0.0077 -0.0077 0.0142 0.0142 2.4140 2.4140 2.4415 2.4415 2.8125 2.8125 2.8375 2.8375 3.9396 3.9396 3.9627 3.9627 4.4664 4.4664 4.4929 4.4929 5.2321 5.2321 5.2406 5.2406 7.7297 7.7297 7.7429 7.7429 8.0154 8.0154 8.0303 8.0303 8.8233 8.8233 k = 0.5000 0.3623 0.0419 ( 5896 PWs) bands (ev): -5.8911 -5.8911 -5.8911 -5.8911 -4.3347 -4.3347 -4.3346 -4.3346 -1.0596 -1.0596 -1.0545 -1.0545 -0.5410 -0.5410 -0.5270 -0.5270 -0.5026 -0.5026 -0.4723 -0.4723 -0.2522 -0.2522 -0.2373 -0.2373 -0.1589 -0.1589 -0.1440 -0.1440 -0.0111 -0.0111 0.0042 0.0042 2.4350 2.4350 2.4544 2.4544 2.8123 2.8123 2.8300 2.8300 3.9565 3.9565 3.9727 3.9727 4.4643 4.4643 4.4825 4.4825 5.2413 5.2413 5.2470 5.2470 7.7358 7.7358 7.7464 7.7464 7.9768 7.9768 7.9885 7.9885 8.7946 8.7946 k = 0.5000 0.3623 0.0209 ( 5906 PWs) bands (ev): -5.8930 -5.8930 -5.8930 -5.8930 -4.3312 -4.3312 -4.3311 -4.3311 -1.0595 -1.0595 -1.0569 -1.0569 -0.5366 -0.5366 -0.5288 -0.5288 -0.4978 -0.4978 -0.4818 -0.4818 -0.2485 -0.2485 -0.2409 -0.2409 -0.1550 -0.1550 -0.1473 -0.1473 -0.0114 -0.0114 -0.0035 -0.0035 2.4500 2.4500 2.4602 2.4602 2.8141 2.8141 2.8233 2.8233 3.9688 3.9688 3.9771 3.9771 4.4648 4.4648 4.4742 4.4742 5.2476 5.2476 5.2504 5.2504 7.7440 7.7440 7.7502 7.7502 7.9519 7.9519 7.9587 7.9587 8.7771 8.7771 k = 0.5000 0.3623 0.0000 ( 5902 PWs) bands (ev): -5.8936 -5.8936 -5.8936 -5.8936 -4.3300 -4.3300 -4.3300 -4.3300 -1.0585 -1.0585 -1.0585 -1.0585 -0.5323 -0.5323 -0.5323 -0.5323 -0.4905 -0.4905 -0.4905 -0.4905 -0.2446 -0.2446 -0.2446 -0.2446 -0.1511 -0.1511 -0.1511 -0.1511 -0.0088 -0.0088 -0.0088 -0.0088 2.4586 2.4586 2.4586 2.4586 2.8178 2.8178 2.8178 2.8178 3.9758 3.9758 3.9758 3.9758 4.4682 4.4682 4.4682 4.4682 5.2507 5.2507 5.2507 5.2507 7.7499 7.7499 7.7499 7.7499 7.9453 7.9453 7.9453 7.9453 8.7716 8.7716 k = 0.0000 0.0000 0.8522 ( 5892 PWs) bands (ev): -5.5549 -5.5549 -5.5535 -5.5535 -4.7051 -4.7051 -4.7040 -4.7040 -1.0353 -1.0353 -0.9921 -0.9921 -0.5984 -0.5984 -0.5603 -0.5603 -0.4841 -0.4841 -0.4121 -0.4121 -0.2788 -0.2788 -0.2402 -0.2402 -0.1914 -0.1914 -0.1699 -0.1699 -0.1310 -0.1310 -0.0914 -0.0914 1.2484 1.2484 1.2979 1.2979 2.6669 2.6669 2.7159 2.7159 4.5233 4.5233 4.5259 4.5259 5.2684 5.2684 5.3122 5.3122 5.7747 5.7747 5.7993 5.7993 7.6779 7.6779 7.6909 7.6909 9.1582 9.1582 9.1685 9.1685 10.1305 10.1305 k = 0.0167 0.0121 0.8522 ( 5876 PWs) bands (ev): -5.5549 -5.5548 -5.5535 -5.5534 -4.7052 -4.7051 -4.7041 -4.7041 -1.0352 -1.0350 -0.9944 -0.9894 -0.5994 -0.5973 -0.5624 -0.5584 -0.4930 -0.4747 -0.4139 -0.4099 -0.2787 -0.2787 -0.2424 -0.2381 -0.1922 -0.1907 -0.1761 -0.1642 -0.1354 -0.1243 -0.0941 -0.0866 1.2425 1.2447 1.2912 1.2937 2.6740 2.6750 2.7207 2.7251 4.5192 4.5221 4.5227 4.5240 5.2678 5.2689 5.3120 5.3124 5.7656 5.7733 5.7938 5.7945 7.6827 7.6885 7.6974 7.6998 9.1566 9.1569 9.1671 9.1671 10.1299 10.1307 k = 0.0333 0.0242 0.8522 ( 5878 PWs) bands (ev): -5.5549 -5.5547 -5.5535 -5.5533 -4.7054 -4.7052 -4.7043 -4.7042 -1.0347 -1.0343 -0.9964 -0.9865 -0.6002 -0.5961 -0.5647 -0.5567 -0.5016 -0.4650 -0.4153 -0.4074 -0.2786 -0.2786 -0.2448 -0.2362 -0.1931 -0.1903 -0.1821 -0.1610 -0.1356 -0.1162 -0.0948 -0.0798 1.2274 1.2316 1.2742 1.2791 2.6961 2.6979 2.7392 2.7480 4.5099 4.5145 4.5156 4.5172 5.2670 5.2693 5.3118 5.3127 5.7468 5.7618 5.7787 5.7800 7.7025 7.7139 7.7188 7.7235 9.1523 9.1529 9.1629 9.1630 10.1290 10.1306 k = 0.0500 0.0362 0.8522 ( 5866 PWs) bands (ev): -5.5548 -5.5546 -5.5534 -5.5532 -4.7056 -4.7054 -4.7045 -4.7044 -1.0338 -1.0333 -0.9981 -0.9833 -0.6008 -0.5947 -0.5671 -0.5552 -0.5098 -0.4553 -0.4162 -0.4046 -0.2784 -0.2784 -0.2473 -0.2344 -0.1940 -0.1901 -0.1876 -0.1615 -0.1303 -0.1068 -0.0936 -0.0711 1.2043 1.2102 1.2482 1.2553 2.7318 2.7343 2.7704 2.7834 4.4951 4.5011 4.5038 4.5053 5.2662 5.2697 5.3116 5.3131 5.7197 5.7411 5.7552 5.7570 7.7366 7.7529 7.7541 7.7610 9.1449 9.1459 9.1558 9.1559 10.1279 10.1301 k = 0.0667 0.0483 0.8522 ( 5874 PWs) bands (ev): -5.5548 -5.5544 -5.5533 -5.5531 -4.7059 -4.7056 -4.7048 -4.7047 -1.0325 -1.0319 -0.9996 -0.9799 -0.6012 -0.5932 -0.5696 -0.5541 -0.5174 -0.4456 -0.4168 -0.4016 -0.2782 -0.2781 -0.2499 -0.2327 -0.1949 -0.1925 -0.1901 -0.1643 -0.1213 -0.0964 -0.0906 -0.0606 1.1746 1.1818 1.2149 1.2240 2.7794 2.7825 2.8128 2.8298 4.4748 4.4821 4.4864 4.4883 5.2652 5.2700 5.3114 5.3138 5.6862 5.7129 5.7251 5.7272 7.7832 7.8017 7.8037 7.8107 9.1343 9.1356 9.1454 9.1455 10.1268 10.1294 k = 0.0833 0.0604 0.8522 ( 5874 PWs) bands (ev): -5.5547 -5.5542 -5.5532 -5.5529 -4.7063 -4.7059 -4.7052 -4.7050 -1.0310 -1.0304 -1.0007 -0.9764 -0.6014 -0.5916 -0.5722 -0.5531 -0.5245 -0.4360 -0.4171 -0.3985 -0.2780 -0.2776 -0.2525 -0.2313 -0.1970 -0.1956 -0.1903 -0.1676 -0.1103 -0.0859 -0.0850 -0.0485 1.1401 1.1483 1.1763 1.1872 2.8370 2.8404 2.8647 2.8855 4.4487 4.4575 4.4632 4.4660 5.2643 5.2704 5.3111 5.3147 5.6486 5.6793 5.6903 5.6927 7.8406 7.8597 7.8645 7.8705 9.1201 9.1217 9.1314 9.1314 10.1261 10.1285 k = 0.1000 0.0725 0.8522 ( 5882 PWs) bands (ev): -5.5545 -5.5540 -5.5531 -5.5527 -4.7067 -4.7063 -4.7056 -4.7054 -1.0292 -1.0286 -1.0017 -0.9728 -0.6015 -0.5898 -0.5747 -0.5524 -0.5310 -0.4269 -0.4171 -0.3954 -0.2777 -0.2771 -0.2551 -0.2299 -0.2009 -0.1961 -0.1907 -0.1710 -0.0980 -0.0796 -0.0728 -0.0350 1.1026 1.1112 1.1342 1.1468 2.9025 2.9060 2.9240 2.9487 4.4166 4.4269 4.4340 4.4383 5.2634 5.2709 5.3107 5.3160 5.6091 5.6422 5.6532 5.6556 7.9066 7.9262 7.9332 7.9385 9.1017 9.1036 9.1132 9.1134 10.1259 10.1278 k = 0.1167 0.0845 0.8522 ( 5876 PWs) bands (ev): -5.5544 -5.5538 -5.5530 -5.5525 -4.7072 -4.7067 -4.7061 -4.7058 -1.0271 -1.0268 -1.0026 -0.9693 -0.6014 -0.5880 -0.5772 -0.5519 -0.5370 -0.4182 -0.4168 -0.3924 -0.2774 -0.2764 -0.2577 -0.2287 -0.2043 -0.1963 -0.1910 -0.1741 -0.0849 -0.0719 -0.0600 -0.0205 1.0638 1.0724 1.0907 1.1046 2.9740 2.9774 2.9890 3.0176 4.3787 4.3905 4.3990 4.4054 5.2627 5.2716 5.3101 5.3178 5.5699 5.6038 5.6155 5.6180 7.9793 7.9990 8.0080 8.0129 9.0788 9.0809 9.0903 9.0908 10.1265 10.1275 k = 0.1333 0.0966 0.8522 ( 5884 PWs) bands (ev): -5.5542 -5.5535 -5.5528 -5.5523 -4.7077 -4.7071 -4.7066 -4.7062 -1.0249 -1.0249 -1.0033 -0.9660 -0.6011 -0.5862 -0.5798 -0.5516 -0.5425 -0.4164 -0.4103 -0.3895 -0.2772 -0.2758 -0.2602 -0.2276 -0.2074 -0.1963 -0.1915 -0.1770 -0.0715 -0.0631 -0.0468 -0.0052 1.0253 1.0335 1.0473 1.0624 3.0497 3.0529 3.0577 3.0903 4.3351 4.3483 4.3581 4.3677 5.2623 5.2724 5.3093 5.3203 5.5329 5.5658 5.5792 5.5815 8.0568 8.0765 8.0869 8.0917 9.0509 9.0533 9.0625 9.0633 10.1278 10.1282 k = 0.1500 0.1087 0.8522 ( 5884 PWs) bands (ev): -5.5541 -5.5533 -5.5527 -5.5522 -4.7081 -4.7075 -4.7070 -4.7066 -1.0231 -1.0227 -1.0041 -0.9629 -0.6007 -0.5842 -0.5822 -0.5514 -0.5476 -0.4159 -0.4031 -0.3868 -0.2768 -0.2750 -0.2626 -0.2266 -0.2099 -0.1961 -0.1919 -0.1796 -0.0582 -0.0536 -0.0336 0.0102 0.9886 0.9960 1.0056 1.0216 3.1275 3.1281 3.1304 3.1651 4.2865 4.3012 4.3121 4.3257 5.2623 5.2735 5.3079 5.3237 5.4997 5.5294 5.5454 5.5474 8.1372 8.1568 8.1683 8.1732 9.0178 9.0203 9.0292 9.0305 10.1290 10.1312 k = 0.1667 0.1208 0.8522 ( 5888 PWs) bands (ev): -5.5539 -5.5531 -5.5526 -5.5520 -4.7085 -4.7078 -4.7075 -4.7070 -1.0214 -1.0204 -1.0048 -0.9600 -0.6000 -0.5845 -0.5822 -0.5521 -0.5512 -0.4154 -0.3969 -0.3845 -0.2764 -0.2743 -0.2648 -0.2258 -0.2121 -0.1957 -0.1923 -0.1819 -0.0455 -0.0438 -0.0209 0.0252 0.9551 0.9612 0.9670 0.9837 3.1979 3.2056 3.2081 3.2397 4.2341 4.2503 4.2621 4.2809 5.2629 5.2749 5.3058 5.3280 5.4716 5.4958 5.5153 5.5168 8.2187 8.2383 8.2506 8.2559 8.9794 8.9821 8.9904 8.9922 10.1310 10.1344 k = 0.1833 0.1328 0.8522 ( 5890 PWs) bands (ev): -5.5538 -5.5529 -5.5525 -5.5518 -4.7089 -4.7081 -4.7078 -4.7074 -1.0200 -1.0182 -1.0057 -0.9576 -0.5992 -0.5867 -0.5801 -0.5562 -0.5512 -0.4150 -0.3917 -0.3826 -0.2760 -0.2736 -0.2668 -0.2251 -0.2140 -0.1950 -0.1927 -0.1841 -0.0342 -0.0341 -0.0092 0.0391 0.9262 0.9306 0.9329 0.9498 3.2645 3.2815 3.2834 3.3116 4.1798 4.1977 4.2100 4.2353 5.2643 5.2764 5.3026 5.3336 5.4497 5.4655 5.4897 5.4902 8.2993 8.3190 8.3317 8.3378 8.9360 8.9389 8.9463 8.9489 10.1328 10.1339 k = 0.2000 0.1449 0.8522 ( 5890 PWs) bands (ev): -5.5537 -5.5527 -5.5524 -5.5517 -4.7092 -4.7084 -4.7082 -4.7077 -1.0188 -1.0160 -1.0066 -0.9557 -0.5982 -0.5888 -0.5779 -0.5599 -0.5512 -0.4145 -0.3875 -0.3811 -0.2754 -0.2731 -0.2686 -0.2246 -0.2154 -0.1942 -0.1930 -0.1860 -0.0255 -0.0245 0.0009 0.0511 0.9030 0.9047 0.9052 0.9212 3.3244 3.3519 3.3529 3.3771 4.1268 4.1469 4.1587 4.1918 5.2666 5.2780 5.2981 5.3405 5.4345 5.4390 5.4678 5.4690 8.3763 8.3969 8.4094 8.4170 8.8888 8.8923 8.8978 8.9014 10.1320 10.1375 k = 0.2167 0.1570 0.8522 ( 5900 PWs) bands (ev): -5.5536 -5.5526 -5.5524 -5.5516 -4.7094 -4.7086 -4.7084 -4.7079 -1.0179 -1.0140 -1.0077 -0.9542 -0.5971 -0.5908 -0.5758 -0.5632 -0.5512 -0.4142 -0.3843 -0.3803 -0.2747 -0.2727 -0.2703 -0.2242 -0.2164 -0.1932 -0.1932 -0.1878 -0.0185 -0.0173 0.0087 0.0605 0.8836 0.8862 0.8866 0.8990 3.3733 3.4115 3.4121 3.4308 4.0800 4.1030 4.1127 4.1548 5.2701 5.2795 5.2925 5.3490 5.4164 5.4261 5.4499 5.4539 8.4458 8.4683 8.4798 8.4901 8.8409 8.8452 8.8473 8.8523 10.1319 10.1412 k = 0.2333 0.1691 0.8522 ( 5900 PWs) bands (ev): -5.5536 -5.5525 -5.5524 -5.5516 -4.7096 -4.7087 -4.7086 -4.7080 -1.0173 -1.0121 -1.0090 -0.9533 -0.5957 -0.5926 -0.5738 -0.5659 -0.5512 -0.4140 -0.3820 -0.3801 -0.2739 -0.2724 -0.2717 -0.2240 -0.2170 -0.1934 -0.1921 -0.1894 -0.0138 -0.0130 0.0136 0.0664 0.8704 0.8745 0.8777 0.8840 3.4059 3.4521 3.4556 3.4658 4.0464 4.0730 4.0787 4.1293 5.2746 5.2805 5.2863 5.3583 5.3985 5.4241 5.4365 5.4447 8.4993 8.5261 8.5340 8.5493 8.8003 8.8019 8.8053 8.8082 10.1319 10.1447 k = 0.2500 0.1811 0.8522 ( 5896 PWs) bands (ev): -5.5536 -5.5524 -5.5524 -5.5515 -4.7096 -4.7087 -4.7087 -4.7081 -1.0171 -1.0105 -1.0105 -0.9530 -0.5942 -0.5942 -0.5727 -0.5671 -0.5512 -0.4140 -0.3807 -0.3807 -0.2728 -0.2728 -0.2723 -0.2239 -0.2172 -0.1934 -0.1908 -0.1908 -0.0118 -0.0118 0.0153 0.0685 0.8659 0.8705 0.8768 0.8768 3.4175 3.4669 3.4749 3.4749 4.0340 4.0640 4.0640 4.1201 5.2801 5.2801 5.2808 5.3641 5.3899 5.4278 5.4278 5.4415 8.5210 8.5536 8.5536 8.5752 8.7807 8.7854 8.7854 8.7881 10.1320 10.1475 Writing output data file ZnSiAs2.save init_run : 4.42s CPU 13.44s WALL ( 1 calls) electrons : 1065.77s CPU 1073.61s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.27s CPU 1.58s WALL ( 1 calls) Called by electrons: c_bands : 1065.69s CPU 1073.31s WALL ( 1 calls) v_of_rho : 0.06s CPU 0.84s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.05s CPU 0.56s WALL ( 1 calls) newd : 0.45s CPU 0.64s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.13s WALL ( 278 calls) cegterg : 988.12s CPU 993.13s WALL ( 585 calls) Called by sum_band: Called by *egterg: h_psi : 579.09s CPU 586.02s WALL ( 9355 calls) s_psi : 43.80s CPU 44.11s WALL ( 9355 calls) g_psi : 0.90s CPU 0.88s WALL ( 8492 calls) cdiaghg : 281.29s CPU 279.30s WALL ( 8770 calls) cegterg:over : 67.82s CPU 65.92s WALL ( 8492 calls) cegterg:upda : 18.96s CPU 21.52s WALL ( 8492 calls) cegterg:last : 15.77s CPU 16.39s WALL ( 1597 calls) Called by h_psi: h_psi:vloc : 491.37s CPU 496.70s WALL ( 9355 calls) h_psi:vnl : 87.21s CPU 88.20s WALL ( 9355 calls) add_vuspsi : 32.59s CPU 35.55s WALL ( 9355 calls) General routines calbec : 54.57s CPU 52.52s WALL ( 9355 calls) fft : 0.53s CPU 1.16s WALL ( 19 calls) ffts : 0.05s CPU 0.05s WALL ( 4 calls) fftw : 465.81s CPU 468.12s WALL ( 1172252 calls) interpolate : 0.09s CPU 0.13s WALL ( 4 calls) davcio : 0.03s CPU 1.86s WALL ( 556 calls) Parallel routines fft_scatter : 258.51s CPU 263.69s WALL ( 1172275 calls) PWSCF : 18m55.09s CPU 21m32.92s WALL This run was terminated on: 17:18:58 12Jun2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=